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 4ktq_1_A DATA FIRST_RESID 294 DATA SEQUENCE LEEAPWPPPE GAFVGFVLSR KEPMWADLLA LAAARGGRVH RAPEPYKALR DATA SEQUENCE DLKEARGLLA KDLSVLALRE GLGLPPGDDP MLLAYLLDPS NTTPEGVARR DATA SEQUENCE YGGEWTEEAG ERAALSERLF ANLWGRLEGE ERLLWLYREV ERPLSAVLAH DATA SEQUENCE MEATGVRLDV AYLRALSLEV AEEIARLEAE VFRLAGHPFN LNSRDQLERV DATA SEQUENCE LFDELGLPAI GKTEKTGKRS TSAAVLEALR EAHPIVEKIL QYRELTKLKS DATA SEQUENCE TYIDPLPDLI HPRTGRLHTR FNQTATATGR LSSSDPNLQN IPVRTPLGQR DATA SEQUENCE IRRAFIAEEG WLLVALDYSQ IELRVLAHLS GDENLIRVFQ EGRDIHTETA DATA SEQUENCE SWMFGVPREA VDPLMRRAAK TINFGVLYGM SAHRLSQELA IPYEEAQAFI DATA SEQUENCE ERYFQSFPKV RAWIEKTLEE GRRRGYVETL FGRRRYVPDL EARVKSVREA DATA SEQUENCE AERMAFNMPV QGTAADLMKL AMVKLFPRLE EMGARMLLQV HDELVLEAPK DATA SEQUENCE ERAEAVARLA KEVMEGVYPL AVPLEVEVGI GEDWLSAKE 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 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L C 0.000 176.863 176.870 -0.012 0.000 1.165 294 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 294 L CB 0.000 42.060 42.059 0.002 0.000 0.961 295 E N 0.549 120.733 120.200 -0.026 0.000 2.191 295 E HA 0.781 5.132 4.350 0.003 0.000 0.263 295 E C -0.001 176.551 176.600 -0.080 0.000 0.881 295 E CA 0.062 56.437 56.400 -0.041 0.000 0.757 295 E CB 1.281 30.960 29.700 -0.035 0.000 1.147 295 E HN 2.526 nan 8.360 nan 0.000 0.414 296 E N 0.258 120.419 120.200 -0.065 0.000 2.417 296 E HA 0.554 4.906 4.350 0.003 0.000 0.261 296 E C 0.204 176.732 176.600 -0.120 0.000 1.000 296 E CA 0.207 56.559 56.400 -0.079 0.000 0.919 296 E CB 0.911 30.591 29.700 -0.034 0.000 0.955 296 E HN 1.613 nan 8.360 nan 0.000 0.455 297 A N 3.918 126.607 122.820 -0.220 0.000 2.380 297 A HA 0.809 5.131 4.320 0.003 0.000 0.315 297 A C -2.690 174.858 177.584 -0.059 0.000 1.101 297 A CA -1.762 50.133 52.037 -0.237 0.000 0.771 297 A CB 1.376 19.986 19.000 -0.650 0.000 1.287 297 A HN 0.559 nan 8.150 nan 0.000 0.436 298 P HA -0.048 nan 4.420 nan 0.000 0.268 298 P C 1.066 178.495 177.300 0.215 0.000 1.204 298 P CA -0.264 62.911 63.100 0.124 0.000 0.768 298 P CB 0.368 32.121 31.700 0.087 0.000 0.842 299 W N 5.587 126.946 121.300 0.099 0.000 2.272 299 W HA -0.195 4.466 4.660 0.003 0.000 0.344 299 W C -1.567 175.018 176.519 0.111 0.000 1.390 299 W CA 0.965 58.377 57.345 0.112 0.000 1.331 299 W CB -2.191 27.305 29.460 0.061 0.000 1.103 299 W HN 0.323 nan 8.180 nan 0.000 0.470 300 P HA -0.038 nan 4.420 nan 0.000 0.247 300 P C -2.308 174.594 177.300 -0.663 0.000 1.141 300 P CA 0.114 62.779 63.100 -0.724 0.000 0.858 300 P CB -0.150 31.384 31.700 -0.276 0.000 0.804 301 P HA 0.334 nan 4.420 nan 0.000 0.290 301 P C -2.328 174.611 177.300 -0.602 0.000 1.275 301 P CA -2.370 60.141 63.100 -0.982 0.000 0.841 301 P CB -0.240 30.878 31.700 -0.971 0.000 1.042 302 P HA 0.037 nan 4.420 nan 0.000 0.269 302 P C 0.094 177.245 177.300 -0.249 0.000 1.217 302 P CA 0.034 62.965 63.100 -0.282 0.000 0.783 302 P CB 0.557 32.139 31.700 -0.196 0.000 0.898 303 E N 0.453 120.543 120.200 -0.183 0.000 2.465 303 E HA 0.140 4.492 4.350 0.003 0.000 0.260 303 E C 0.674 177.170 176.600 -0.172 0.000 0.980 303 E CA 0.778 57.079 56.400 -0.164 0.000 0.927 303 E CB -0.313 29.312 29.700 -0.126 0.000 0.934 303 E HN 0.779 nan 8.360 nan 0.000 0.459 304 G N 2.824 111.510 108.800 -0.189 0.000 2.351 304 G HA2 -0.165 3.797 3.960 0.003 0.000 0.297 304 G HA3 -0.165 3.797 3.960 0.003 0.000 0.297 304 G C 0.026 174.766 174.900 -0.266 0.000 1.054 304 G CA 0.243 45.205 45.100 -0.231 0.000 1.123 304 G HN 0.698 nan 8.290 nan 0.000 0.512 305 A N -0.124 122.552 122.820 -0.240 0.000 2.247 305 A HA 0.901 5.222 4.320 0.003 0.000 0.313 305 A C -0.186 177.264 177.584 -0.224 0.000 1.109 305 A CA -0.751 51.184 52.037 -0.170 0.000 0.890 305 A CB 0.803 19.725 19.000 -0.130 0.000 1.239 305 A HN 0.723 nan 8.150 nan 0.000 0.506 306 F N 0.784 120.713 119.950 -0.035 0.000 2.350 306 F HA 0.375 4.904 4.527 0.003 0.000 0.365 306 F C 0.697 176.541 175.800 0.075 0.000 1.122 306 F CA -0.158 57.844 58.000 0.004 0.000 1.139 306 F CB 0.949 39.964 39.000 0.024 0.000 1.220 306 F HN 0.362 nan 8.300 nan 0.000 0.499 307 V N 1.819 121.854 119.914 0.201 0.000 3.747 307 V HA 0.613 4.735 4.120 0.003 0.000 0.299 307 V C 0.680 176.985 176.094 0.352 0.000 1.103 307 V CA -0.372 62.069 62.300 0.235 0.000 1.154 307 V CB 0.239 32.147 31.823 0.141 0.000 1.127 307 V HN 0.901 nan 8.190 nan 0.000 0.482 308 G N 0.917 109.966 108.800 0.416 0.000 2.717 308 G HA2 0.637 4.598 3.960 0.003 0.000 0.300 308 G HA3 0.637 4.598 3.960 0.003 0.000 0.300 308 G C -1.489 173.710 174.900 0.497 0.000 1.424 308 G CA -0.517 44.837 45.100 0.423 0.000 1.033 308 G HN 1.380 nan 8.290 nan 0.000 0.577 309 F N -0.039 119.966 119.950 0.092 0.000 2.650 309 F HA 0.727 5.256 4.527 0.003 0.000 0.310 309 F C -1.385 174.438 175.800 0.039 0.000 1.112 309 F CA -1.828 56.193 58.000 0.036 0.000 0.986 309 F CB 1.250 40.257 39.000 0.012 0.000 1.285 309 F HN 0.389 nan 8.300 nan 0.000 0.440 310 V N 4.477 124.392 119.914 0.002 0.000 2.357 310 V HA 0.456 4.578 4.120 0.003 0.000 0.284 310 V C 0.158 176.261 176.094 0.016 0.000 1.018 310 V CA -0.587 61.668 62.300 -0.075 0.000 0.841 310 V CB 1.174 32.951 31.823 -0.077 0.000 0.991 310 V HN 0.794 nan 8.190 nan 0.000 0.437 311 L N 3.338 124.572 121.223 0.019 0.000 2.431 311 L HA 0.373 4.715 4.340 0.003 0.000 0.260 311 L C 1.526 178.432 176.870 0.060 0.000 1.098 311 L CA -0.211 54.679 54.840 0.085 0.000 0.800 311 L CB 1.683 43.816 42.059 0.124 0.000 1.210 311 L HN 0.764 nan 8.230 nan 0.000 0.465 312 S N 0.570 116.319 115.700 0.081 0.000 2.631 312 S HA 0.125 4.597 4.470 0.003 0.000 0.217 312 S C 0.340 174.982 174.600 0.070 0.000 0.958 312 S CA -0.381 57.860 58.200 0.068 0.000 0.920 312 S CB -0.090 63.158 63.200 0.081 0.000 0.776 312 S HN 0.815 nan 8.310 nan 0.000 0.517 313 R N -0.395 120.155 120.500 0.082 0.000 3.000 313 R HA 0.169 4.511 4.340 0.003 0.000 0.280 313 R C -0.438 175.922 176.300 0.100 0.000 0.950 313 R CA -0.443 55.707 56.100 0.084 0.000 0.822 313 R CB -0.055 30.300 30.300 0.091 0.000 1.445 313 R HN 0.101 nan 8.270 nan 0.000 0.492 314 K N 0.666 121.125 120.400 0.098 0.000 1.991 314 K HA 0.055 4.377 4.320 0.003 0.000 0.208 314 K C -0.285 176.394 176.600 0.132 0.000 1.038 314 K CA 1.166 57.514 56.287 0.102 0.000 0.943 314 K CB -0.463 32.086 32.500 0.081 0.000 0.736 314 K HN 0.488 nan 8.250 nan 0.000 0.440 315 E N 3.491 123.787 120.200 0.161 0.000 2.734 315 E HA -0.052 4.300 4.350 0.003 0.000 0.235 315 E C -1.896 174.822 176.600 0.197 0.000 1.107 315 E CA -0.737 55.792 56.400 0.215 0.000 0.951 315 E CB -0.049 29.873 29.700 0.369 0.000 0.955 315 E HN 0.242 nan 8.360 nan 0.000 0.515 316 P HA -0.234 nan 4.420 nan 0.000 0.217 316 P C 1.004 178.321 177.300 0.027 0.000 1.148 316 P CA 1.255 64.412 63.100 0.096 0.000 0.828 316 P CB 0.143 31.886 31.700 0.071 0.000 0.783 317 M N -2.890 116.683 119.600 -0.045 0.000 2.279 317 M HA -0.111 4.371 4.480 0.003 0.000 0.264 317 M C 1.417 177.530 176.300 -0.311 0.000 1.062 317 M CA 1.563 56.680 55.300 -0.305 0.000 1.099 317 M CB -1.186 31.119 32.600 -0.490 0.000 1.394 317 M HN 0.121 nan 8.290 nan 0.000 0.426 318 W N -0.744 120.622 121.300 0.110 0.000 2.975 318 W HA 0.435 5.097 4.660 0.003 0.000 0.316 318 W C 1.112 177.680 176.519 0.081 0.000 1.131 318 W CA -0.202 57.204 57.345 0.102 0.000 1.624 318 W CB -0.105 29.390 29.460 0.057 0.000 1.038 318 W HN -0.033 nan 8.180 nan 0.000 0.571 319 A N 1.071 124.051 122.820 0.268 0.000 2.310 319 A HA 0.326 4.648 4.320 0.003 0.000 0.260 319 A C -0.720 176.972 177.584 0.181 0.000 1.112 319 A CA 0.333 52.489 52.037 0.197 0.000 0.804 319 A CB 0.090 19.189 19.000 0.165 0.000 1.081 319 A HN 0.139 nan 8.150 nan 0.000 0.499 320 D N -0.285 120.216 120.400 0.168 0.000 2.593 320 D HA 0.300 4.942 4.640 0.003 0.000 0.251 320 D C -0.692 175.696 176.300 0.148 0.000 1.140 320 D CA -0.394 53.736 54.000 0.217 0.000 0.855 320 D CB 0.773 41.695 40.800 0.203 0.000 1.267 320 D HN 0.389 nan 8.370 nan 0.000 0.532 321 L N 5.568 126.806 121.223 0.025 0.000 2.699 321 L HA 0.044 4.386 4.340 0.003 0.000 0.283 321 L C 0.781 177.632 176.870 -0.031 0.000 1.166 321 L CA 0.027 54.778 54.840 -0.148 0.000 1.043 321 L CB 0.078 41.766 42.059 -0.619 0.000 1.369 321 L HN 0.697 nan 8.230 nan 0.000 0.462 322 L N 4.270 125.514 121.223 0.036 0.000 2.056 322 L HA 0.020 4.362 4.340 0.003 0.000 0.207 322 L C 0.942 177.815 176.870 0.005 0.000 1.078 322 L CA 0.969 55.833 54.840 0.040 0.000 0.749 322 L CB -0.270 41.808 42.059 0.031 0.000 0.901 322 L HN 0.694 nan 8.230 nan 0.000 0.433 323 A N -0.599 122.219 122.820 -0.003 0.000 2.520 323 A HA 0.646 4.968 4.320 0.003 0.000 0.298 323 A C -1.432 176.153 177.584 0.003 0.000 1.051 323 A CA -0.356 51.669 52.037 -0.020 0.000 0.690 323 A CB 1.656 20.650 19.000 -0.010 0.000 1.281 323 A HN -0.035 nan 8.150 nan 0.000 0.402 324 L N 1.347 122.527 121.223 -0.071 0.000 2.381 324 L HA 0.914 5.256 4.340 0.003 0.000 0.268 324 L C -0.199 176.656 176.870 -0.024 0.000 0.997 324 L CA -0.271 54.532 54.840 -0.063 0.000 0.818 324 L CB 1.855 43.765 42.059 -0.247 0.000 1.310 324 L HN 1.306 nan 8.230 nan 0.000 0.416 325 A N 3.041 125.972 122.820 0.184 0.000 2.536 325 A HA 0.968 5.290 4.320 0.003 0.000 0.293 325 A C -1.793 176.039 177.584 0.414 0.000 1.119 325 A CA 0.115 52.370 52.037 0.363 0.000 0.654 325 A CB 1.588 20.731 19.000 0.237 0.000 1.291 325 A HN 1.060 nan 8.150 nan 0.000 0.439 326 A N -1.288 121.767 122.820 0.393 0.000 2.588 326 A HA 1.054 5.376 4.320 0.003 0.000 0.290 326 A C -0.731 177.030 177.584 0.296 0.000 1.136 326 A CA -0.084 52.124 52.037 0.286 0.000 0.681 326 A CB 1.003 20.087 19.000 0.139 0.000 1.282 326 A HN 2.645 nan 8.150 nan 0.000 0.421 327 A N -0.749 122.233 122.820 0.269 0.000 2.509 327 A HA 0.826 5.148 4.320 0.003 0.000 0.282 327 A C -0.399 177.335 177.584 0.249 0.000 1.054 327 A CA 0.449 52.641 52.037 0.258 0.000 0.820 327 A CB 0.683 19.796 19.000 0.188 0.000 1.333 327 A HN 2.320 nan 8.150 nan 0.000 0.409 328 R N 1.006 121.635 120.500 0.215 0.000 2.502 328 R HA 0.846 5.188 4.340 0.003 0.000 0.300 328 R C 1.137 177.518 176.300 0.134 0.000 0.984 328 R CA 0.445 56.642 56.100 0.162 0.000 0.882 328 R CB 0.541 30.883 30.300 0.069 0.000 1.180 328 R HN 2.898 nan 8.270 nan 0.000 0.444 329 G N 0.789 109.654 108.800 0.108 0.000 3.377 329 G HA2 0.009 3.971 3.960 0.003 0.000 0.304 329 G HA3 0.009 3.971 3.960 0.003 0.000 0.304 329 G C 1.020 175.958 174.900 0.064 0.000 1.366 329 G CA 0.971 46.117 45.100 0.077 0.000 1.020 329 G HN 2.101 nan 8.290 nan 0.000 0.621 330 G N -0.667 108.168 108.800 0.059 0.000 4.956 330 G HA2 0.691 4.653 3.960 0.003 0.000 0.263 330 G HA3 0.691 4.653 3.960 0.003 0.000 0.263 330 G C 0.087 175.003 174.900 0.026 0.000 0.958 330 G CA 1.319 46.442 45.100 0.039 0.000 0.749 330 G HN 1.593 nan 8.290 nan 0.000 0.356 331 R N 0.182 120.708 120.500 0.042 0.000 2.445 331 R HA 0.800 5.142 4.340 0.003 0.000 0.308 331 R C -0.931 175.333 176.300 -0.059 0.000 0.961 331 R CA -0.500 55.575 56.100 -0.041 0.000 0.862 331 R CB 1.382 31.655 30.300 -0.044 0.000 1.144 331 R HN 0.373 nan 8.270 nan 0.000 0.447 332 V N 4.081 123.905 119.914 -0.150 0.000 2.347 332 V HA 0.343 4.465 4.120 0.003 0.000 0.280 332 V C -0.801 175.193 176.094 -0.166 0.000 1.021 332 V CA -0.894 61.375 62.300 -0.051 0.000 0.847 332 V CB 0.752 32.578 31.823 0.005 0.000 0.990 332 V HN 0.964 nan 8.190 nan 0.000 0.444 333 H N 3.990 123.125 119.070 0.109 0.000 2.519 333 H HA 0.650 5.208 4.556 0.003 0.000 0.316 333 H C -0.058 175.479 175.328 0.349 0.000 1.065 333 H CA -0.458 55.688 56.048 0.163 0.000 1.264 333 H CB 0.779 30.551 29.762 0.017 0.000 1.413 333 H HN 0.511 nan 8.280 nan 0.000 0.465 334 R N 1.992 122.750 120.500 0.430 0.000 2.393 334 R HA 0.626 4.968 4.340 0.003 0.000 0.315 334 R C -0.633 175.845 176.300 0.296 0.000 0.952 334 R CA -0.991 55.307 56.100 0.331 0.000 0.842 334 R CB 1.826 32.214 30.300 0.148 0.000 1.163 334 R HN 0.666 nan 8.270 nan 0.000 0.450 335 A N 4.653 127.405 122.820 -0.114 0.000 2.404 335 A HA 0.289 4.611 4.320 0.003 0.000 0.273 335 A C -1.660 175.732 177.584 -0.319 0.000 1.144 335 A CA -1.323 50.285 52.037 -0.715 0.000 0.806 335 A CB 0.213 18.232 19.000 -1.635 0.000 1.080 335 A HN 0.539 nan 8.150 nan 0.000 0.509 336 P HA -0.054 nan 4.420 nan 0.000 0.222 336 P C -0.165 177.067 177.300 -0.113 0.000 1.147 336 P CA 1.250 64.297 63.100 -0.088 0.000 0.790 336 P CB 0.277 31.959 31.700 -0.029 0.000 0.780 337 E N -1.407 118.677 120.200 -0.194 0.000 2.316 337 E HA 0.157 4.509 4.350 0.003 0.000 0.254 337 E C -2.221 174.242 176.600 -0.228 0.000 0.902 337 E CA -1.897 54.421 56.400 -0.136 0.000 0.801 337 E CB 1.694 31.349 29.700 -0.074 0.000 1.270 337 E HN -0.032 nan 8.360 nan 0.000 0.414 338 P HA -0.197 nan 4.420 nan 0.000 0.215 338 P C 0.702 177.833 177.300 -0.283 0.000 1.153 338 P CA 1.255 64.184 63.100 -0.284 0.000 0.853 338 P CB 0.118 31.678 31.700 -0.233 0.000 0.788 339 Y N 0.173 120.397 120.300 -0.127 0.000 2.114 339 Y HA -0.238 4.314 4.550 0.003 0.000 0.284 339 Y C 2.867 178.713 175.900 -0.090 0.000 1.143 339 Y CA 2.392 60.438 58.100 -0.091 0.000 1.135 339 Y CB -1.392 37.029 38.460 -0.064 0.000 0.980 339 Y HN -0.144 nan 8.280 nan 0.000 0.499 340 K N 0.490 120.926 120.400 0.059 0.000 1.991 340 K HA -0.101 4.221 4.320 0.003 0.000 0.212 340 K C 2.329 178.924 176.600 -0.009 0.000 1.049 340 K CA 1.623 57.922 56.287 0.019 0.000 0.932 340 K CB -1.763 30.739 32.500 0.003 0.000 0.717 340 K HN 0.416 nan 8.250 nan 0.000 0.441 341 A N 1.076 123.808 122.820 -0.147 0.000 2.009 341 A HA -0.135 4.187 4.320 0.003 0.000 0.222 341 A C 2.297 179.932 177.584 0.086 0.000 1.175 341 A CA 1.697 53.641 52.037 -0.156 0.000 0.651 341 A CB -0.576 17.771 19.000 -1.089 0.000 0.815 341 A HN 0.492 nan 8.150 nan 0.000 0.459 342 L N -1.730 119.464 121.223 -0.048 0.000 2.450 342 L HA -0.187 4.155 4.340 0.003 0.000 0.225 342 L C 2.553 179.439 176.870 0.026 0.000 1.145 342 L CA 1.324 56.144 54.840 -0.033 0.000 0.801 342 L CB -0.410 41.581 42.059 -0.115 0.000 0.924 342 L HN 0.384 nan 8.230 nan 0.000 0.447 343 R N -0.421 120.119 120.500 0.068 0.000 2.173 343 R HA -0.040 4.302 4.340 0.003 0.000 0.208 343 R C 1.371 177.720 176.300 0.082 0.000 1.035 343 R CA 0.619 56.756 56.100 0.063 0.000 1.004 343 R CB -0.020 30.317 30.300 0.062 0.000 0.917 343 R HN 0.245 nan 8.270 nan 0.000 0.462 344 D N 0.224 120.721 120.400 0.163 0.000 2.349 344 D HA 0.028 4.670 4.640 0.003 0.000 0.224 344 D C -0.237 176.082 176.300 0.032 0.000 1.029 344 D CA 0.500 54.567 54.000 0.111 0.000 0.879 344 D CB 0.132 41.036 40.800 0.174 0.000 0.906 344 D HN 0.134 nan 8.370 nan 0.000 0.528 345 L N -0.935 120.316 121.223 0.046 0.000 2.334 345 L HA 0.541 4.883 4.340 0.003 0.000 0.276 345 L C 1.360 178.206 176.870 -0.039 0.000 1.014 345 L CA -0.711 54.120 54.840 -0.013 0.000 0.815 345 L CB 1.248 43.311 42.059 0.007 0.000 1.268 345 L HN -0.366 nan 8.230 nan 0.000 0.428 346 K N 1.444 121.805 120.400 -0.066 0.000 2.354 346 K HA 0.241 4.563 4.320 0.003 0.000 0.194 346 K C 0.418 176.974 176.600 -0.073 0.000 1.045 346 K CA 0.900 57.148 56.287 -0.064 0.000 1.026 346 K CB 0.211 32.668 32.500 -0.072 0.000 0.866 346 K HN 0.846 nan 8.250 nan 0.000 0.530 347 E N -1.750 118.396 120.200 -0.090 0.000 2.437 347 E HA 0.602 4.954 4.350 0.003 0.000 0.280 347 E C -1.847 174.684 176.600 -0.114 0.000 1.044 347 E CA -0.544 55.796 56.400 -0.100 0.000 0.826 347 E CB 1.540 31.170 29.700 -0.117 0.000 1.358 347 E HN 0.104 nan 8.360 nan 0.000 0.459 348 A N 2.372 125.124 122.820 -0.114 0.000 2.273 348 A HA 0.513 4.835 4.320 0.003 0.000 0.320 348 A C -0.467 177.056 177.584 -0.101 0.000 1.358 348 A CA -0.587 51.382 52.037 -0.113 0.000 0.910 348 A CB 0.324 19.249 19.000 -0.126 0.000 1.159 348 A HN 0.460 nan 8.150 nan 0.000 0.526 349 R N 2.385 122.804 120.500 -0.134 0.000 2.287 349 R HA 0.555 4.897 4.340 0.003 0.000 0.316 349 R C 0.118 176.393 176.300 -0.043 0.000 1.050 349 R CA 0.366 56.338 56.100 -0.214 0.000 0.983 349 R CB 1.199 31.190 30.300 -0.515 0.000 1.140 349 R HN 1.088 nan 8.270 nan 0.000 0.528 350 G N 1.849 110.733 108.800 0.141 0.000 2.315 350 G HA2 0.107 4.069 3.960 0.003 0.000 0.294 350 G HA3 0.107 4.069 3.960 0.003 0.000 0.294 350 G C -1.458 173.612 174.900 0.283 0.000 1.300 350 G CA -1.056 44.242 45.100 0.331 0.000 0.843 350 G HN 0.301 nan 8.290 nan 0.000 0.527 351 L N 0.881 122.265 121.223 0.269 0.000 2.483 351 L HA 0.293 4.635 4.340 0.003 0.000 0.275 351 L C 1.434 178.420 176.870 0.194 0.000 1.220 351 L CA 0.292 55.223 54.840 0.153 0.000 0.833 351 L CB 0.214 42.277 42.059 0.006 0.000 1.102 351 L HN 0.663 nan 8.230 nan 0.000 0.490 352 L N 1.005 122.293 121.223 0.109 0.000 3.851 352 L HA -0.369 3.973 4.340 0.003 0.000 0.438 352 L C 1.595 178.643 176.870 0.296 0.000 1.171 352 L CA 0.313 55.248 54.840 0.159 0.000 0.895 352 L CB -2.179 39.954 42.059 0.123 0.000 1.800 352 L HN 0.902 nan 8.230 nan 0.000 0.960 353 A N 0.799 123.747 122.820 0.213 0.000 1.849 353 A HA -0.261 4.061 4.320 0.003 0.000 0.217 353 A C 2.256 179.884 177.584 0.073 0.000 1.202 353 A CA 2.234 54.357 52.037 0.143 0.000 0.629 353 A CB -0.411 18.640 19.000 0.085 0.000 0.834 353 A HN 0.622 nan 8.150 nan 0.000 0.447 354 K N -0.606 119.829 120.400 0.059 0.000 2.207 354 K HA -0.309 4.012 4.320 0.003 0.000 0.208 354 K C 1.348 177.969 176.600 0.035 0.000 1.046 354 K CA 2.305 58.609 56.287 0.028 0.000 0.929 354 K CB -0.419 32.097 32.500 0.028 0.000 0.720 354 K HN 0.469 nan 8.250 nan 0.000 0.463 355 D N 0.614 121.076 120.400 0.104 0.000 2.077 355 D HA -0.145 4.497 4.640 0.003 0.000 0.196 355 D C 1.790 178.123 176.300 0.055 0.000 0.986 355 D CA 0.842 54.925 54.000 0.138 0.000 0.829 355 D CB -0.276 40.686 40.800 0.270 0.000 0.983 355 D HN 0.149 nan 8.370 nan 0.000 0.453 356 L N 0.302 121.480 121.223 -0.076 0.000 2.349 356 L HA -0.096 4.246 4.340 0.003 0.000 0.220 356 L C 2.052 178.751 176.870 -0.284 0.000 1.130 356 L CA 1.203 55.751 54.840 -0.486 0.000 0.791 356 L CB -0.475 40.764 42.059 -1.368 0.000 0.918 356 L HN -0.089 nan 8.230 nan 0.000 0.444 357 S N -1.993 113.605 115.700 -0.170 0.000 2.406 357 S HA -0.097 4.375 4.470 0.003 0.000 0.228 357 S C 1.905 176.426 174.600 -0.132 0.000 1.020 357 S CA 1.160 59.279 58.200 -0.136 0.000 0.965 357 S CB -0.149 62.999 63.200 -0.088 0.000 0.798 357 S HN 0.296 nan 8.310 nan 0.000 0.488 358 V N 1.993 121.846 119.914 -0.102 0.000 2.270 358 V HA -0.114 4.008 4.120 0.003 0.000 0.245 358 V C 2.364 178.385 176.094 -0.122 0.000 1.043 358 V CA 1.966 64.204 62.300 -0.103 0.000 1.014 358 V CB -0.665 31.129 31.823 -0.049 0.000 0.645 358 V HN 0.539 nan 8.190 nan 0.000 0.447 359 L N 0.194 121.356 121.223 -0.102 0.000 1.989 359 L HA -0.179 4.163 4.340 0.003 0.000 0.211 359 L C 2.572 179.374 176.870 -0.114 0.000 1.071 359 L CA 2.102 56.882 54.840 -0.100 0.000 0.749 359 L CB -0.632 41.379 42.059 -0.081 0.000 0.890 359 L HN 0.305 nan 8.230 nan 0.000 0.431 360 A N 0.029 122.765 122.820 -0.140 0.000 1.884 360 A HA -0.282 4.039 4.320 0.003 0.000 0.219 360 A C 2.254 179.772 177.584 -0.110 0.000 1.197 360 A CA 2.277 54.238 52.037 -0.125 0.000 0.637 360 A CB -1.162 17.753 19.000 -0.141 0.000 0.827 360 A HN 0.541 nan 8.150 nan 0.000 0.450 361 L N -0.502 120.638 121.223 -0.139 0.000 2.081 361 L HA -0.271 4.071 4.340 0.003 0.000 0.212 361 L C 2.911 179.695 176.870 -0.143 0.000 1.080 361 L CA 2.165 56.907 54.840 -0.162 0.000 0.754 361 L CB -0.468 41.451 42.059 -0.234 0.000 0.893 361 L HN 0.688 nan 8.230 nan 0.000 0.433 362 R N -0.689 119.721 120.500 -0.150 0.000 2.189 362 R HA -0.092 4.250 4.340 0.003 0.000 0.218 362 R C 1.432 177.668 176.300 -0.107 0.000 1.074 362 R CA 0.836 56.835 56.100 -0.169 0.000 0.991 362 R CB -0.268 29.887 30.300 -0.243 0.000 0.883 362 R HN 0.206 nan 8.270 nan 0.000 0.457 363 E N 0.328 120.492 120.200 -0.060 0.000 2.476 363 E HA 0.077 4.429 4.350 0.003 0.000 0.191 363 E C 0.874 177.461 176.600 -0.021 0.000 1.064 363 E CA 0.658 57.051 56.400 -0.012 0.000 0.866 363 E CB 0.910 30.640 29.700 0.050 0.000 0.952 363 E HN 0.680 nan 8.360 nan 0.000 0.492 364 G N 0.881 109.654 108.800 -0.044 0.000 2.284 364 G HA2 -0.273 3.689 3.960 0.003 0.000 0.230 364 G HA3 -0.273 3.689 3.960 0.003 0.000 0.230 364 G C 0.420 175.301 174.900 -0.032 0.000 1.021 364 G CA 0.131 45.210 45.100 -0.034 0.000 0.619 364 G HN 0.248 nan 8.290 nan 0.000 0.510 365 L N 1.390 122.592 121.223 -0.035 0.000 2.416 365 L HA 0.546 4.888 4.340 0.003 0.000 0.272 365 L C 1.949 178.788 176.870 -0.052 0.000 1.161 365 L CA 0.017 54.836 54.840 -0.036 0.000 0.845 365 L CB 0.452 42.489 42.059 -0.037 0.000 1.119 365 L HN 0.174 nan 8.230 nan 0.000 0.464 366 G N 2.922 111.702 108.800 -0.033 0.000 2.496 366 G HA2 -0.089 3.873 3.960 0.003 0.000 0.214 366 G HA3 -0.089 3.873 3.960 0.003 0.000 0.214 366 G C 0.631 175.506 174.900 -0.042 0.000 1.234 366 G CA 0.052 45.138 45.100 -0.024 0.000 0.807 366 G HN 0.585 nan 8.290 nan 0.000 0.543 367 L N 1.705 122.906 121.223 -0.037 0.000 3.543 367 L HA -0.090 4.252 4.340 0.003 0.000 0.591 367 L C -1.966 174.873 176.870 -0.052 0.000 1.028 367 L CA -0.496 54.312 54.840 -0.054 0.000 1.086 367 L CB -0.994 41.019 42.059 -0.078 0.000 1.124 367 L HN 0.176 nan 8.230 nan 0.000 0.705 368 P HA 0.379 nan 4.420 nan 0.000 0.274 368 P C -2.786 174.487 177.300 -0.044 0.000 1.246 368 P CA -1.435 61.660 63.100 -0.009 0.000 0.795 368 P CB 0.445 32.150 31.700 0.007 0.000 1.006 369 P HA 0.282 nan 4.420 nan 0.000 0.296 369 P C 0.017 177.282 177.300 -0.059 0.000 1.306 369 P CA 0.115 63.187 63.100 -0.046 0.000 0.818 369 P CB 1.401 33.085 31.700 -0.027 0.000 0.969 370 G N 1.963 110.718 108.800 -0.076 0.000 3.247 370 G HA2 0.234 4.196 3.960 0.003 0.000 0.163 370 G HA3 0.234 4.196 3.960 0.003 0.000 0.163 370 G C -0.528 174.329 174.900 -0.071 0.000 1.206 370 G CA -0.298 44.740 45.100 -0.102 0.000 0.918 370 G HN 0.331 nan 8.290 nan 0.000 0.625 371 D N 0.264 120.603 120.400 -0.102 0.000 2.443 371 D HA 0.378 5.020 4.640 0.003 0.000 0.234 371 D C -0.688 175.704 176.300 0.154 0.000 1.172 371 D CA 0.926 54.952 54.000 0.043 0.000 0.878 371 D CB 0.955 41.608 40.800 -0.245 0.000 1.204 371 D HN 0.264 nan 8.370 nan 0.000 0.453 372 D N 0.389 121.046 120.400 0.428 0.000 2.614 372 D HA 0.116 4.757 4.640 0.003 0.000 0.203 372 D C -2.226 174.337 176.300 0.438 0.000 1.312 372 D CA -1.196 53.029 54.000 0.375 0.000 0.889 372 D CB 1.807 42.755 40.800 0.246 0.000 1.615 372 D HN -0.024 nan 8.370 nan 0.000 0.567 373 P HA -0.206 nan 4.420 nan 0.000 0.213 373 P C 1.988 179.345 177.300 0.095 0.000 1.170 373 P CA 0.863 64.097 63.100 0.225 0.000 0.902 373 P CB 0.168 31.972 31.700 0.174 0.000 0.789 374 M N -1.212 118.436 119.600 0.080 0.000 2.186 374 M HA -0.216 4.266 4.480 0.003 0.000 0.249 374 M C 2.240 178.594 176.300 0.091 0.000 1.081 374 M CA 1.625 56.948 55.300 0.038 0.000 1.072 374 M CB -2.002 30.606 32.600 0.013 0.000 1.318 374 M HN -0.045 nan 8.290 nan 0.000 0.405 375 L N -0.232 121.089 121.223 0.163 0.000 2.083 375 L HA -0.171 4.171 4.340 0.003 0.000 0.209 375 L C 2.279 179.272 176.870 0.207 0.000 1.083 375 L CA 1.514 56.503 54.840 0.248 0.000 0.752 375 L CB -0.535 41.769 42.059 0.408 0.000 0.899 375 L HN 0.298 nan 8.230 nan 0.000 0.433 376 L N -1.474 119.762 121.223 0.022 0.000 2.056 376 L HA -0.157 4.185 4.340 0.003 0.000 0.207 376 L C 2.642 179.435 176.870 -0.128 0.000 1.078 376 L CA 1.098 55.821 54.840 -0.195 0.000 0.749 376 L CB -0.972 40.868 42.059 -0.366 0.000 0.901 376 L HN 0.295 nan 8.230 nan 0.000 0.433 377 A N -0.501 122.245 122.820 -0.123 0.000 1.877 377 A HA -0.294 4.028 4.320 0.003 0.000 0.216 377 A C 2.224 179.821 177.584 0.020 0.000 1.186 377 A CA 1.511 53.462 52.037 -0.143 0.000 0.620 377 A CB -1.029 17.856 19.000 -0.192 0.000 0.822 377 A HN 0.462 nan 8.150 nan 0.000 0.443 378 Y N 0.566 120.851 120.300 -0.024 0.000 2.298 378 Y HA -0.188 4.364 4.550 0.003 0.000 0.287 378 Y C 1.825 177.741 175.900 0.027 0.000 1.164 378 Y CA 1.747 59.859 58.100 0.020 0.000 1.229 378 Y CB -0.168 38.314 38.460 0.038 0.000 0.977 378 Y HN 0.245 nan 8.280 nan 0.000 0.538 379 L N -1.390 119.832 121.223 -0.003 0.000 2.127 379 L HA -0.134 4.208 4.340 0.003 0.000 0.203 379 L C 2.298 179.109 176.870 -0.100 0.000 1.080 379 L CA 0.588 55.387 54.840 -0.068 0.000 0.768 379 L CB -0.476 41.595 42.059 0.019 0.000 0.924 379 L HN 0.198 nan 8.230 nan 0.000 0.444 380 L N -0.971 120.209 121.223 -0.072 0.000 2.056 380 L HA -0.072 4.270 4.340 0.003 0.000 0.207 380 L C 0.423 177.310 176.870 0.029 0.000 1.078 380 L CA 1.089 55.908 54.840 -0.036 0.000 0.749 380 L CB -0.004 42.036 42.059 -0.031 0.000 0.901 380 L HN 0.224 nan 8.230 nan 0.000 0.433 381 D N -1.414 118.996 120.400 0.018 0.000 2.375 381 D HA 0.155 4.797 4.640 0.003 0.000 0.241 381 D C -2.017 174.260 176.300 -0.039 0.000 1.361 381 D CA -1.389 52.649 54.000 0.064 0.000 0.995 381 D CB 1.824 42.705 40.800 0.135 0.000 1.312 381 D HN -0.164 nan 8.370 nan 0.000 0.576 382 P HA -0.135 nan 4.420 nan 0.000 0.229 382 P C 1.206 178.495 177.300 -0.017 0.000 1.150 382 P CA 0.695 63.566 63.100 -0.382 0.000 0.765 382 P CB 0.210 31.674 31.700 -0.392 0.000 0.783 383 S N -1.782 113.948 115.700 0.050 0.000 2.414 383 S HA -0.035 4.437 4.470 0.003 0.000 0.227 383 S C 1.152 175.826 174.600 0.125 0.000 1.022 383 S CA 0.048 58.303 58.200 0.093 0.000 0.958 383 S CB -1.082 62.166 63.200 0.080 0.000 0.797 383 S HN 0.032 nan 8.310 nan 0.000 0.493 384 N N 2.896 121.682 118.700 0.143 0.000 2.423 384 N HA 0.091 4.833 4.740 0.003 0.000 0.275 384 N C 0.726 176.360 175.510 0.206 0.000 1.283 384 N CA 0.989 54.139 53.050 0.165 0.000 0.932 384 N CB 1.227 39.816 38.487 0.169 0.000 1.185 384 N HN 0.724 nan 8.380 nan 0.000 0.483 385 T N -2.501 112.131 114.554 0.130 0.000 3.016 385 T HA 0.099 4.451 4.350 0.003 0.000 0.271 385 T C 0.614 175.316 174.700 0.004 0.000 0.968 385 T CA -0.063 62.094 62.100 0.094 0.000 0.891 385 T CB 0.238 69.160 68.868 0.091 0.000 1.149 385 T HN 0.415 nan 8.240 nan 0.000 0.524 386 T N -0.988 113.552 114.554 -0.023 0.000 2.883 386 T HA 0.595 4.947 4.350 0.003 0.000 0.296 386 T C -2.506 172.075 174.700 -0.198 0.000 1.117 386 T CA -1.520 60.512 62.100 -0.113 0.000 1.006 386 T CB 2.074 70.886 68.868 -0.092 0.000 1.191 386 T HN -0.268 nan 8.240 nan 0.000 0.508 387 P HA 0.001 nan 4.420 nan 0.000 0.217 387 P C 0.974 178.008 177.300 -0.442 0.000 1.154 387 P CA 1.125 63.831 63.100 -0.657 0.000 0.841 387 P CB 0.213 30.973 31.700 -1.566 0.000 0.788 388 E N 0.601 120.561 120.200 -0.400 0.000 2.035 388 E HA -0.167 4.185 4.350 0.003 0.000 0.204 388 E C 2.446 179.075 176.600 0.047 0.000 1.025 388 E CA 2.152 58.556 56.400 0.008 0.000 0.835 388 E CB -1.620 28.131 29.700 0.086 0.000 0.764 388 E HN 0.291 nan 8.360 nan 0.000 0.457 389 G N 0.221 109.031 108.800 0.016 0.000 2.402 389 G HA2 -0.218 3.744 3.960 0.003 0.000 0.216 389 G HA3 -0.218 3.744 3.960 0.003 0.000 0.216 389 G C 1.781 176.734 174.900 0.088 0.000 1.162 389 G CA 0.876 46.005 45.100 0.047 0.000 0.777 389 G HN 0.168 nan 8.290 nan 0.000 0.539 390 V N 1.615 121.582 119.914 0.089 0.000 2.252 390 V HA -0.212 3.909 4.120 0.003 0.000 0.249 390 V C 3.345 179.607 176.094 0.279 0.000 1.056 390 V CA 2.369 64.791 62.300 0.202 0.000 1.022 390 V CB -0.952 30.902 31.823 0.052 0.000 0.641 390 V HN 0.488 nan 8.190 nan 0.000 0.445 391 A N 0.144 123.056 122.820 0.153 0.000 1.858 391 A HA -0.204 4.117 4.320 0.003 0.000 0.216 391 A C 2.442 180.115 177.584 0.147 0.000 1.190 391 A CA 2.379 54.520 52.037 0.174 0.000 0.617 391 A CB -0.858 18.255 19.000 0.187 0.000 0.827 391 A HN 0.552 nan 8.150 nan 0.000 0.443 392 R N -0.005 120.565 120.500 0.117 0.000 2.397 392 R HA -0.021 4.321 4.340 0.003 0.000 0.213 392 R C 1.928 178.237 176.300 0.016 0.000 1.102 392 R CA 1.885 58.027 56.100 0.069 0.000 1.040 392 R CB -1.198 29.141 30.300 0.066 0.000 0.844 392 R HN 0.777 nan 8.270 nan 0.000 0.478 393 R N -2.494 118.011 120.500 0.009 0.000 2.412 393 R HA 0.168 4.510 4.340 0.003 0.000 0.212 393 R C 0.370 176.434 176.300 -0.395 0.000 0.878 393 R CA 0.242 56.225 56.100 -0.194 0.000 1.022 393 R CB 0.637 30.789 30.300 -0.246 0.000 1.265 393 R HN 0.455 nan 8.270 nan 0.000 0.620 394 Y N -0.181 120.124 120.300 0.008 0.000 2.612 394 Y HA 0.453 5.005 4.550 0.003 0.000 0.250 394 Y C 0.116 176.023 175.900 0.012 0.000 1.175 394 Y CA 0.130 58.233 58.100 0.005 0.000 1.205 394 Y CB 2.066 40.527 38.460 0.001 0.000 1.201 394 Y HN 0.253 nan 8.280 nan 0.000 0.532 395 G N 0.185 109.053 108.800 0.114 0.000 2.698 395 G HA2 0.367 4.329 3.960 0.003 0.000 0.360 395 G HA3 0.367 4.329 3.960 0.003 0.000 0.360 395 G C -0.200 174.755 174.900 0.092 0.000 1.005 395 G CA -0.375 44.776 45.100 0.084 0.000 1.293 395 G HN 0.828 nan 8.290 nan 0.000 0.590 396 G N -0.026 108.825 108.800 0.087 0.000 2.329 396 G HA2 0.497 4.459 3.960 0.003 0.000 0.308 396 G HA3 0.497 4.459 3.960 0.003 0.000 0.308 396 G C -1.084 173.886 174.900 0.116 0.000 1.587 396 G CA -0.373 44.785 45.100 0.096 0.000 0.978 396 G HN 0.568 nan 8.290 nan 0.000 0.685 397 E N 1.010 121.275 120.200 0.107 0.000 2.113 397 E HA 0.149 4.501 4.350 0.003 0.000 0.273 397 E C -0.329 176.374 176.600 0.171 0.000 0.924 397 E CA -0.789 55.682 56.400 0.119 0.000 0.764 397 E CB 1.115 30.851 29.700 0.060 0.000 1.104 397 E HN 0.574 nan 8.360 nan 0.000 0.406 398 W N 6.790 128.100 121.300 0.017 0.000 2.591 398 W HA -0.009 4.653 4.660 0.004 0.000 0.330 398 W C -0.481 176.038 176.519 -0.000 0.000 1.435 398 W CA 0.040 57.391 57.345 0.009 0.000 1.350 398 W CB 0.395 29.862 29.460 0.011 0.000 1.434 398 W HN 0.451 nan 8.180 nan 0.000 0.553 399 T N 1.948 116.180 114.554 -0.536 0.000 2.919 399 T HA 0.251 4.603 4.350 0.003 0.000 0.282 399 T C 0.489 174.702 174.700 -0.812 0.000 1.020 399 T CA -0.722 61.053 62.100 -0.541 0.000 0.994 399 T CB 1.810 70.513 68.868 -0.275 0.000 1.180 399 T HN 0.420 nan 8.240 nan 0.000 0.566 400 E N 0.188 120.104 120.200 -0.474 0.000 2.419 400 E HA 0.155 4.507 4.350 0.003 0.000 0.190 400 E C -0.154 176.282 176.600 -0.275 0.000 1.040 400 E CA 0.034 56.201 56.400 -0.387 0.000 0.900 400 E CB 0.327 29.887 29.700 -0.233 0.000 1.054 400 E HN 0.522 nan 8.360 nan 0.000 0.462 401 E N 0.326 120.367 120.200 -0.266 0.000 2.134 401 E HA 0.323 4.675 4.350 0.003 0.000 0.278 401 E C 0.287 176.810 176.600 -0.129 0.000 0.959 401 E CA -0.360 55.949 56.400 -0.151 0.000 0.783 401 E CB 1.699 31.338 29.700 -0.102 0.000 1.095 401 E HN 0.012 nan 8.360 nan 0.000 0.399 402 A N 3.257 126.039 122.820 -0.063 0.000 2.225 402 A HA -0.068 4.253 4.320 0.003 0.000 0.215 402 A C 1.572 179.201 177.584 0.076 0.000 1.164 402 A CA 1.638 53.684 52.037 0.015 0.000 0.710 402 A CB -0.069 18.968 19.000 0.062 0.000 0.780 402 A HN 0.643 nan 8.150 nan 0.000 0.473 403 G N -1.046 107.781 108.800 0.046 0.000 2.645 403 G HA2 0.017 3.979 3.960 0.003 0.000 0.207 403 G HA3 0.017 3.979 3.960 0.003 0.000 0.207 403 G C 1.268 176.203 174.900 0.059 0.000 1.145 403 G CA 0.540 45.688 45.100 0.080 0.000 0.831 403 G HN 0.535 nan 8.290 nan 0.000 0.563 404 E N 0.267 120.471 120.200 0.007 0.000 2.265 404 E HA -0.045 4.306 4.350 0.003 0.000 0.196 404 E C 2.616 179.228 176.600 0.020 0.000 0.996 404 E CA 0.413 56.811 56.400 -0.004 0.000 0.832 404 E CB 0.054 29.722 29.700 -0.053 0.000 0.756 404 E HN 0.316 nan 8.360 nan 0.000 0.491 405 R N 0.001 120.515 120.500 0.023 0.000 2.075 405 R HA 0.023 4.365 4.340 0.003 0.000 0.226 405 R C 2.325 178.744 176.300 0.198 0.000 1.114 405 R CA 0.996 57.172 56.100 0.126 0.000 0.972 405 R CB -0.130 30.223 30.300 0.089 0.000 0.869 405 R HN 0.059 nan 8.270 nan 0.000 0.437 406 A N 1.237 124.169 122.820 0.186 0.000 1.898 406 A HA -0.071 4.250 4.320 0.003 0.000 0.216 406 A C 2.295 179.953 177.584 0.122 0.000 1.181 406 A CA 1.625 53.794 52.037 0.219 0.000 0.620 406 A CB -0.587 18.560 19.000 0.245 0.000 0.819 406 A HN 0.377 nan 8.150 nan 0.000 0.442 407 A N -1.013 121.861 122.820 0.089 0.000 2.067 407 A HA 0.105 4.427 4.320 0.003 0.000 0.219 407 A C 2.029 179.621 177.584 0.013 0.000 1.158 407 A CA 1.535 53.594 52.037 0.037 0.000 0.661 407 A CB -0.381 18.644 19.000 0.042 0.000 0.801 407 A HN 0.587 nan 8.150 nan 0.000 0.452 408 L N -0.674 120.584 121.223 0.059 0.000 2.127 408 L HA 0.042 4.384 4.340 0.003 0.000 0.203 408 L C 2.455 179.347 176.870 0.037 0.000 1.080 408 L CA 2.264 57.152 54.840 0.081 0.000 0.768 408 L CB -0.746 41.421 42.059 0.180 0.000 0.924 408 L HN 0.247 nan 8.230 nan 0.000 0.444 409 S N -0.162 115.567 115.700 0.048 0.000 2.359 409 S HA -0.279 4.193 4.470 0.003 0.000 0.222 409 S C 1.771 176.146 174.600 -0.375 0.000 1.038 409 S CA 1.710 59.911 58.200 0.001 0.000 1.051 409 S CB -0.448 62.873 63.200 0.203 0.000 0.944 409 S HN 0.560 nan 8.310 nan 0.000 0.433 410 E N 1.181 120.875 120.200 -0.844 0.000 2.019 410 E HA -0.279 4.073 4.350 0.003 0.000 0.208 410 E C 2.313 178.653 176.600 -0.432 0.000 1.030 410 E CA 1.459 57.102 56.400 -1.263 0.000 0.856 410 E CB -0.207 29.043 29.700 -0.749 0.000 0.781 410 E HN 0.338 nan 8.360 nan 0.000 0.471 411 R N 0.189 120.565 120.500 -0.207 0.000 2.185 411 R HA -0.186 4.156 4.340 0.003 0.000 0.247 411 R C 2.370 178.661 176.300 -0.015 0.000 1.159 411 R CA 1.319 57.383 56.100 -0.060 0.000 0.988 411 R CB -0.180 30.108 30.300 -0.019 0.000 0.871 411 R HN 0.298 nan 8.270 nan 0.000 0.458 412 L N -0.867 120.340 121.223 -0.027 0.000 2.068 412 L HA -0.086 4.256 4.340 0.003 0.000 0.204 412 L C 2.229 179.123 176.870 0.041 0.000 1.076 412 L CA 0.939 55.791 54.840 0.019 0.000 0.753 412 L CB -0.496 41.586 42.059 0.038 0.000 0.910 412 L HN 0.195 nan 8.230 nan 0.000 0.439 413 F N 0.903 120.811 119.950 -0.069 0.000 2.161 413 F HA -0.245 4.284 4.527 0.003 0.000 0.300 413 F C 2.321 178.185 175.800 0.108 0.000 1.089 413 F CA 1.216 59.253 58.000 0.061 0.000 1.282 413 F CB -0.131 38.992 39.000 0.205 0.000 1.010 413 F HN 0.021 nan 8.300 nan 0.000 0.485 414 A N 0.506 123.451 122.820 0.207 0.000 1.824 414 A HA -0.251 4.070 4.320 0.003 0.000 0.215 414 A C 2.032 179.662 177.584 0.077 0.000 1.209 414 A CA 1.837 53.978 52.037 0.175 0.000 0.614 414 A CB -1.478 17.597 19.000 0.125 0.000 0.852 414 A HN 0.472 nan 8.150 nan 0.000 0.447 415 N N -0.797 117.933 118.700 0.049 0.000 2.111 415 N HA -0.189 4.553 4.740 0.003 0.000 0.197 415 N C 1.451 176.952 175.510 -0.015 0.000 1.011 415 N CA 1.829 54.901 53.050 0.037 0.000 0.880 415 N CB -0.235 38.292 38.487 0.066 0.000 1.031 415 N HN 0.296 nan 8.380 nan 0.000 0.444 416 L N -0.333 120.834 121.223 -0.093 0.000 2.034 416 L HA -0.060 4.282 4.340 0.003 0.000 0.203 416 L C 2.111 178.845 176.870 -0.225 0.000 1.074 416 L CA 1.300 56.015 54.840 -0.208 0.000 0.748 416 L CB -1.808 40.072 42.059 -0.299 0.000 0.905 416 L HN 0.467 nan 8.230 nan 0.000 0.439 417 W N 0.853 121.844 121.300 -0.515 0.000 2.325 417 W HA -0.227 4.434 4.660 0.003 0.000 0.299 417 W C 1.897 178.273 176.519 -0.240 0.000 1.215 417 W CA 1.734 58.768 57.345 -0.518 0.000 1.244 417 W CB -0.325 28.724 29.460 -0.684 0.000 1.140 417 W HN 0.269 nan 8.180 nan 0.000 0.523 418 G N 0.655 109.408 108.800 -0.079 0.000 2.433 418 G HA2 -0.304 3.658 3.960 0.003 0.000 0.216 418 G HA3 -0.304 3.658 3.960 0.003 0.000 0.216 418 G C 1.595 176.390 174.900 -0.175 0.000 1.186 418 G CA 0.939 45.979 45.100 -0.101 0.000 0.779 418 G HN 0.231 nan 8.290 nan 0.000 0.543 419 R N -0.373 120.045 120.500 -0.138 0.000 2.261 419 R HA 0.052 4.394 4.340 0.003 0.000 0.236 419 R C 1.953 178.144 176.300 -0.183 0.000 1.141 419 R CA 0.393 56.423 56.100 -0.117 0.000 1.001 419 R CB -0.303 29.954 30.300 -0.071 0.000 0.866 419 R HN 0.331 nan 8.270 nan 0.000 0.468 420 L N 1.761 122.793 121.223 -0.318 0.000 2.645 420 L HA -0.003 4.339 4.340 0.003 0.000 0.235 420 L C -0.346 176.322 176.870 -0.338 0.000 1.150 420 L CA -0.162 54.449 54.840 -0.382 0.000 0.911 420 L CB -0.292 41.388 42.059 -0.631 0.000 1.077 420 L HN 0.158 nan 8.230 nan 0.000 0.438 421 E N 0.055 120.106 120.200 -0.248 0.000 2.558 421 E HA 0.167 4.519 4.350 0.003 0.000 0.255 421 E C 1.197 177.723 176.600 -0.123 0.000 0.968 421 E CA 0.559 56.856 56.400 -0.173 0.000 0.939 421 E CB -0.131 29.505 29.700 -0.106 0.000 0.921 421 E HN 0.250 nan 8.360 nan 0.000 0.477 422 G N 2.811 111.549 108.800 -0.104 0.000 2.356 422 G HA2 -0.307 3.655 3.960 0.003 0.000 0.296 422 G HA3 -0.307 3.655 3.960 0.003 0.000 0.296 422 G C -0.223 174.644 174.900 -0.056 0.000 1.022 422 G CA 0.066 45.130 45.100 -0.060 0.000 0.961 422 G HN 0.509 nan 8.290 nan 0.000 0.510 423 E N -0.477 119.674 120.200 -0.082 0.000 3.105 423 E HA 0.424 4.776 4.350 0.003 0.000 0.219 423 E C 1.643 178.230 176.600 -0.021 0.000 1.064 423 E CA 0.633 56.996 56.400 -0.062 0.000 1.342 423 E CB -0.396 29.243 29.700 -0.102 0.000 1.295 423 E HN 0.790 nan 8.360 nan 0.000 0.438 424 E N 2.292 122.497 120.200 0.007 0.000 2.160 424 E HA -0.347 4.005 4.350 0.003 0.000 0.237 424 E C 1.800 178.475 176.600 0.125 0.000 1.069 424 E CA 2.213 58.650 56.400 0.062 0.000 0.950 424 E CB -0.804 28.928 29.700 0.054 0.000 0.832 424 E HN 0.226 nan 8.360 nan 0.000 0.496 425 R N 0.061 120.624 120.500 0.104 0.000 2.143 425 R HA -0.141 4.201 4.340 0.003 0.000 0.239 425 R C 2.760 179.193 176.300 0.220 0.000 1.126 425 R CA 1.808 58.002 56.100 0.157 0.000 0.927 425 R CB -1.195 29.158 30.300 0.088 0.000 0.860 425 R HN 0.540 nan 8.270 nan 0.000 0.433 426 L N 0.726 122.018 121.223 0.113 0.000 1.978 426 L HA -0.255 4.087 4.340 0.003 0.000 0.218 426 L C 2.715 179.669 176.870 0.139 0.000 1.075 426 L CA 1.548 56.443 54.840 0.091 0.000 0.767 426 L CB -0.594 41.460 42.059 -0.008 0.000 0.890 426 L HN 0.160 nan 8.230 nan 0.000 0.434 427 L N -1.665 119.617 121.223 0.098 0.000 2.129 427 L HA -0.282 4.060 4.340 0.003 0.000 0.212 427 L C 2.260 179.269 176.870 0.232 0.000 1.087 427 L CA 1.766 56.685 54.840 0.130 0.000 0.757 427 L CB -0.607 41.474 42.059 0.037 0.000 0.896 427 L HN 0.407 nan 8.230 nan 0.000 0.434 428 W N 0.155 121.508 121.300 0.087 0.000 2.374 428 W HA -0.160 4.502 4.660 0.003 0.000 0.288 428 W C 2.081 178.642 176.519 0.070 0.000 1.218 428 W CA 1.281 58.677 57.345 0.085 0.000 1.245 428 W CB -0.006 29.500 29.460 0.078 0.000 1.126 428 W HN 0.022 nan 8.180 nan 0.000 0.545 429 L N -0.922 120.413 121.223 0.186 0.000 2.131 429 L HA -0.183 4.159 4.340 0.003 0.000 0.206 429 L C 2.332 179.185 176.870 -0.027 0.000 1.087 429 L CA 1.205 56.050 54.840 0.009 0.000 0.767 429 L CB -1.236 40.922 42.059 0.165 0.000 0.917 429 L HN 0.005 nan 8.230 nan 0.000 0.441 430 Y N 0.762 121.042 120.300 -0.033 0.000 2.242 430 Y HA -0.163 4.389 4.550 0.003 0.000 0.291 430 Y C 2.703 178.585 175.900 -0.031 0.000 1.137 430 Y CA 1.447 59.553 58.100 0.009 0.000 1.181 430 Y CB -0.030 38.487 38.460 0.096 0.000 0.989 430 Y HN -0.043 nan 8.280 nan 0.000 0.527 431 R N -0.581 119.885 120.500 -0.057 0.000 2.075 431 R HA -0.055 4.287 4.340 0.003 0.000 0.220 431 R C 1.730 177.831 176.300 -0.333 0.000 1.118 431 R CA 1.202 57.192 56.100 -0.183 0.000 0.986 431 R CB -0.129 30.161 30.300 -0.016 0.000 0.884 431 R HN 0.120 nan 8.270 nan 0.000 0.439 432 E N -0.211 119.653 120.200 -0.560 0.000 2.502 432 E HA -0.008 4.343 4.350 0.003 0.000 0.194 432 E C 0.818 177.054 176.600 -0.607 0.000 1.062 432 E CA 0.387 56.334 56.400 -0.755 0.000 0.867 432 E CB 0.621 29.323 29.700 -1.663 0.000 0.888 432 E HN 0.054 nan 8.360 nan 0.000 0.510 433 V N -1.333 118.313 119.914 -0.446 0.000 4.060 433 V HA -0.005 4.116 4.120 0.003 0.000 0.170 433 V C 1.496 177.477 176.094 -0.189 0.000 1.358 433 V CA -0.046 62.072 62.300 -0.304 0.000 1.213 433 V CB 0.021 31.661 31.823 -0.305 0.000 1.269 433 V HN -0.053 nan 8.190 nan 0.000 0.591 434 E N 1.103 121.223 120.200 -0.135 0.000 2.031 434 E HA -0.202 4.150 4.350 0.003 0.000 0.193 434 E C 2.098 178.608 176.600 -0.149 0.000 0.994 434 E CA 1.799 58.160 56.400 -0.064 0.000 0.800 434 E CB -0.261 29.497 29.700 0.097 0.000 0.752 434 E HN 0.400 nan 8.360 nan 0.000 0.447 435 R N 0.278 120.576 120.500 -0.336 0.000 2.080 435 R HA -0.109 4.232 4.340 0.003 0.000 0.236 435 R C -0.586 175.589 176.300 -0.208 0.000 1.137 435 R CA 1.984 57.866 56.100 -0.362 0.000 0.943 435 R CB -0.957 28.981 30.300 -0.603 0.000 0.846 435 R HN 0.182 nan 8.270 nan 0.000 0.431 436 P HA -0.193 nan 4.420 nan 0.000 0.215 436 P C 1.490 178.733 177.300 -0.095 0.000 1.157 436 P CA 1.132 64.153 63.100 -0.132 0.000 0.868 436 P CB -0.173 31.443 31.700 -0.141 0.000 0.788 437 L N 0.999 122.158 121.223 -0.107 0.000 2.079 437 L HA -0.187 4.155 4.340 0.003 0.000 0.210 437 L C 2.566 179.383 176.870 -0.089 0.000 1.081 437 L CA 2.584 57.366 54.840 -0.097 0.000 0.752 437 L CB -1.363 40.642 42.059 -0.090 0.000 0.896 437 L HN 0.022 nan 8.230 nan 0.000 0.433 438 S N -0.453 115.204 115.700 -0.072 0.000 2.423 438 S HA -0.268 4.204 4.470 0.003 0.000 0.238 438 S C 2.033 176.608 174.600 -0.042 0.000 1.028 438 S CA 1.150 59.322 58.200 -0.048 0.000 1.000 438 S CB -1.052 62.128 63.200 -0.033 0.000 0.797 438 S HN 0.600 nan 8.310 nan 0.000 0.487 439 A N 1.584 124.383 122.820 -0.036 0.000 1.854 439 A HA 0.159 4.481 4.320 0.003 0.000 0.214 439 A C 2.453 180.031 177.584 -0.011 0.000 1.192 439 A CA 1.345 53.394 52.037 0.020 0.000 0.611 439 A CB -1.129 17.901 19.000 0.051 0.000 0.832 439 A HN 0.461 nan 8.150 nan 0.000 0.442 440 V N 0.521 120.357 119.914 -0.130 0.000 2.324 440 V HA -0.311 3.811 4.120 0.003 0.000 0.250 440 V C 2.588 178.425 176.094 -0.429 0.000 1.060 440 V CA 2.130 64.165 62.300 -0.442 0.000 1.042 440 V CB -0.981 30.617 31.823 -0.376 0.000 0.650 440 V HN 0.548 nan 8.190 nan 0.000 0.450 441 L N 0.079 121.145 121.223 -0.262 0.000 1.994 441 L HA -0.160 4.182 4.340 0.003 0.000 0.208 441 L C 2.818 179.606 176.870 -0.137 0.000 1.071 441 L CA 1.642 56.344 54.840 -0.230 0.000 0.745 441 L CB -0.981 41.014 42.059 -0.107 0.000 0.892 441 L HN 0.344 nan 8.230 nan 0.000 0.431 442 A N -0.358 122.417 122.820 -0.076 0.000 1.903 442 A HA -0.318 4.003 4.320 0.003 0.000 0.219 442 A C 2.040 179.568 177.584 -0.094 0.000 1.191 442 A CA 2.320 54.325 52.037 -0.054 0.000 0.638 442 A CB -0.988 17.992 19.000 -0.033 0.000 0.823 442 A HN 0.466 nan 8.150 nan 0.000 0.451 443 H N -1.789 117.186 119.070 -0.159 0.000 2.357 443 H HA 0.031 4.589 4.556 0.003 0.000 0.301 443 H C 2.134 177.352 175.328 -0.182 0.000 1.082 443 H CA 1.832 57.797 56.048 -0.137 0.000 1.342 443 H CB -0.205 29.477 29.762 -0.134 0.000 1.389 443 H HN 0.463 nan 8.280 nan 0.000 0.511 444 M N 0.216 119.705 119.600 -0.185 0.000 2.073 444 M HA -0.237 4.245 4.480 0.003 0.000 0.258 444 M C 2.013 178.271 176.300 -0.069 0.000 1.070 444 M CA 1.875 57.039 55.300 -0.227 0.000 1.103 444 M CB -0.023 32.316 32.600 -0.434 0.000 1.321 444 M HN 0.385 nan 8.290 nan 0.000 0.405 445 E N -0.136 120.070 120.200 0.010 0.000 2.058 445 E HA -0.207 4.145 4.350 0.003 0.000 0.194 445 E C 2.048 178.711 176.600 0.105 0.000 0.997 445 E CA 1.424 57.889 56.400 0.109 0.000 0.801 445 E CB -0.357 29.409 29.700 0.109 0.000 0.746 445 E HN 0.581 nan 8.360 nan 0.000 0.450 446 A N 1.517 124.345 122.820 0.013 0.000 1.858 446 A HA -0.187 4.135 4.320 0.003 0.000 0.216 446 A C 2.493 180.110 177.584 0.056 0.000 1.190 446 A CA 2.152 54.185 52.037 -0.006 0.000 0.617 446 A CB -1.162 17.756 19.000 -0.136 0.000 0.827 446 A HN 0.211 nan 8.150 nan 0.000 0.443 447 T N -0.478 114.068 114.554 -0.013 0.000 2.685 447 T HA 0.189 4.541 4.350 0.003 0.000 0.268 447 T C 1.402 176.021 174.700 -0.134 0.000 1.034 447 T CA 1.899 63.970 62.100 -0.049 0.000 1.149 447 T CB -1.080 67.750 68.868 -0.064 0.000 0.860 447 T HN 1.789 nan 8.240 nan 0.000 0.449 448 G N -0.047 108.602 108.800 -0.252 0.000 2.750 448 G HA2 -0.104 3.858 3.960 0.003 0.000 0.228 448 G HA3 -0.104 3.858 3.960 0.003 0.000 0.228 448 G C -0.630 174.057 174.900 -0.355 0.000 1.367 448 G CA -0.377 44.319 45.100 -0.674 0.000 0.871 448 G HN 0.887 nan 8.290 nan 0.000 0.560 449 V N 0.014 119.742 119.914 -0.311 0.000 2.760 449 V HA 0.751 4.873 4.120 0.003 0.000 0.309 449 V C 0.491 176.522 176.094 -0.105 0.000 1.077 449 V CA -0.375 61.844 62.300 -0.136 0.000 0.910 449 V CB 1.765 33.598 31.823 0.016 0.000 1.008 449 V HN 1.166 nan 8.190 nan 0.000 0.424 450 R N 4.362 124.803 120.500 -0.099 0.000 2.370 450 R HA 0.522 4.864 4.340 0.003 0.000 0.309 450 R C -1.184 175.068 176.300 -0.080 0.000 1.059 450 R CA -0.061 55.986 56.100 -0.088 0.000 0.981 450 R CB 0.695 30.933 30.300 -0.103 0.000 0.972 450 R HN 0.623 nan 8.270 nan 0.000 0.437 451 L N 3.910 125.068 121.223 -0.108 0.000 2.381 451 L HA 0.315 4.657 4.340 0.003 0.000 0.274 451 L C -1.143 175.666 176.870 -0.101 0.000 0.988 451 L CA -0.539 54.185 54.840 -0.193 0.000 0.824 451 L CB 1.896 43.780 42.059 -0.292 0.000 1.263 451 L HN 0.609 nan 8.230 nan 0.000 0.410 452 D N 3.926 124.281 120.400 -0.075 0.000 2.498 452 D HA 0.055 4.697 4.640 0.003 0.000 0.229 452 D C 1.101 177.438 176.300 0.062 0.000 1.188 452 D CA 0.210 54.211 54.000 0.001 0.000 1.028 452 D CB 0.626 41.422 40.800 -0.008 0.000 1.087 452 D HN 0.405 nan 8.370 nan 0.000 0.510 453 V N 4.031 123.962 119.914 0.027 0.000 2.219 453 V HA -0.334 3.788 4.120 0.003 0.000 0.248 453 V C 2.511 178.634 176.094 0.049 0.000 1.053 453 V CA 2.356 64.673 62.300 0.028 0.000 1.009 453 V CB -0.827 31.006 31.823 0.017 0.000 0.636 453 V HN 0.686 nan 8.190 nan 0.000 0.445 454 A N -1.169 121.684 122.820 0.055 0.000 1.958 454 A HA -0.342 3.980 4.320 0.003 0.000 0.221 454 A C 2.119 179.754 177.584 0.085 0.000 1.178 454 A CA 2.629 54.699 52.037 0.055 0.000 0.642 454 A CB -0.891 18.142 19.000 0.055 0.000 0.816 454 A HN 0.734 nan 8.150 nan 0.000 0.453 455 Y N 0.358 120.649 120.300 -0.014 0.000 2.036 455 Y HA -0.201 4.351 4.550 0.003 0.000 0.273 455 Y C 2.007 177.899 175.900 -0.012 0.000 1.135 455 Y CA 1.954 60.048 58.100 -0.010 0.000 1.106 455 Y CB -0.757 37.697 38.460 -0.010 0.000 0.976 455 Y HN 0.200 nan 8.280 nan 0.000 0.483 456 L N 0.102 121.277 121.223 -0.081 0.000 2.137 456 L HA -0.327 4.015 4.340 0.003 0.000 0.213 456 L C 2.688 179.458 176.870 -0.166 0.000 1.085 456 L CA 1.367 56.094 54.840 -0.188 0.000 0.760 456 L CB -0.552 41.486 42.059 -0.035 0.000 0.893 456 L HN 0.253 nan 8.230 nan 0.000 0.434 457 R N -0.253 120.190 120.500 -0.095 0.000 2.075 457 R HA -0.090 4.252 4.340 0.003 0.000 0.232 457 R C 2.333 178.572 176.300 -0.102 0.000 1.126 457 R CA 1.422 57.478 56.100 -0.074 0.000 0.963 457 R CB -0.880 29.399 30.300 -0.035 0.000 0.858 457 R HN 0.395 nan 8.270 nan 0.000 0.435 458 A N 1.694 124.439 122.820 -0.124 0.000 1.859 458 A HA -0.185 4.137 4.320 0.003 0.000 0.217 458 A C 2.404 179.888 177.584 -0.168 0.000 1.198 458 A CA 1.391 53.353 52.037 -0.125 0.000 0.629 458 A CB -0.927 18.004 19.000 -0.115 0.000 0.830 458 A HN 0.222 nan 8.150 nan 0.000 0.446 459 L N -0.189 120.860 121.223 -0.290 0.000 1.991 459 L HA -0.307 4.035 4.340 0.003 0.000 0.221 459 L C 3.030 179.809 176.870 -0.152 0.000 1.079 459 L CA 2.222 56.909 54.840 -0.254 0.000 0.778 459 L CB -0.578 41.272 42.059 -0.347 0.000 0.893 459 L HN 0.654 nan 8.230 nan 0.000 0.437 460 S N -0.281 115.339 115.700 -0.133 0.000 2.389 460 S HA -0.269 4.203 4.470 0.003 0.000 0.231 460 S C 1.858 176.411 174.600 -0.079 0.000 1.052 460 S CA 1.954 60.099 58.200 -0.091 0.000 1.053 460 S CB -0.285 62.870 63.200 -0.075 0.000 0.886 460 S HN 0.277 nan 8.310 nan 0.000 0.456 461 L N 1.427 122.604 121.223 -0.075 0.000 2.209 461 L HA 0.255 4.597 4.340 0.003 0.000 0.207 461 L C 2.662 179.497 176.870 -0.058 0.000 1.094 461 L CA 1.712 56.516 54.840 -0.059 0.000 0.790 461 L CB -0.836 41.194 42.059 -0.049 0.000 0.932 461 L HN 0.440 nan 8.230 nan 0.000 0.447 462 E N -0.497 119.663 120.200 -0.066 0.000 2.028 462 E HA -0.141 4.211 4.350 0.003 0.000 0.190 462 E C 2.199 178.762 176.600 -0.062 0.000 0.984 462 E CA 1.268 57.633 56.400 -0.058 0.000 0.800 462 E CB 0.136 29.799 29.700 -0.061 0.000 0.758 462 E HN 0.219 nan 8.360 nan 0.000 0.448 463 V N 1.839 121.708 119.914 -0.075 0.000 2.231 463 V HA -0.335 3.787 4.120 0.003 0.000 0.248 463 V C 2.621 178.664 176.094 -0.085 0.000 1.054 463 V CA 2.088 64.340 62.300 -0.080 0.000 1.015 463 V CB -1.090 30.680 31.823 -0.087 0.000 0.638 463 V HN 0.443 nan 8.190 nan 0.000 0.444 464 A N -0.586 122.184 122.820 -0.083 0.000 2.023 464 A HA -0.342 3.980 4.320 0.003 0.000 0.223 464 A C 2.117 179.656 177.584 -0.074 0.000 1.180 464 A CA 2.461 54.449 52.037 -0.082 0.000 0.659 464 A CB -0.521 18.440 19.000 -0.066 0.000 0.817 464 A HN 0.737 nan 8.150 nan 0.000 0.466 465 E N -1.280 118.883 120.200 -0.062 0.000 2.033 465 E HA -0.169 4.183 4.350 0.003 0.000 0.189 465 E C 2.091 178.658 176.600 -0.054 0.000 0.979 465 E CA 1.018 57.388 56.400 -0.051 0.000 0.802 465 E CB -0.271 29.405 29.700 -0.040 0.000 0.763 465 E HN 0.675 nan 8.360 nan 0.000 0.449 466 E N 1.686 121.852 120.200 -0.056 0.000 2.097 466 E HA -0.197 4.155 4.350 0.003 0.000 0.196 466 E C 1.900 178.461 176.600 -0.065 0.000 1.000 466 E CA 1.026 57.395 56.400 -0.053 0.000 0.804 466 E CB -0.377 29.292 29.700 -0.052 0.000 0.740 466 E HN 0.218 nan 8.360 nan 0.000 0.454 467 I N 0.209 120.719 120.570 -0.099 0.000 2.118 467 I HA -0.347 3.824 4.170 0.003 0.000 0.241 467 I C 2.318 178.385 176.117 -0.083 0.000 1.070 467 I CA 1.496 62.710 61.300 -0.143 0.000 1.327 467 I CB -0.390 37.474 38.000 -0.227 0.000 1.034 467 I HN 0.267 nan 8.210 nan 0.000 0.405 468 A N 0.598 123.370 122.820 -0.080 0.000 1.940 468 A HA -0.272 4.050 4.320 0.003 0.000 0.219 468 A C 2.591 180.129 177.584 -0.077 0.000 1.176 468 A CA 2.377 54.369 52.037 -0.074 0.000 0.631 468 A CB -1.011 17.956 19.000 -0.054 0.000 0.814 468 A HN 0.444 nan 8.150 nan 0.000 0.446 469 R N -0.096 120.371 120.500 -0.056 0.000 2.092 469 R HA 0.118 4.460 4.340 0.003 0.000 0.231 469 R C 2.095 178.361 176.300 -0.056 0.000 1.119 469 R CA 1.592 57.664 56.100 -0.045 0.000 0.970 469 R CB -1.418 28.864 30.300 -0.030 0.000 0.864 469 R HN 0.597 nan 8.270 nan 0.000 0.440 470 L N -0.034 121.160 121.223 -0.048 0.000 2.072 470 L HA -0.070 4.272 4.340 0.003 0.000 0.205 470 L C 2.861 179.646 176.870 -0.142 0.000 1.079 470 L CA 1.711 56.527 54.840 -0.040 0.000 0.752 470 L CB -0.434 41.646 42.059 0.036 0.000 0.906 470 L HN 0.563 nan 8.230 nan 0.000 0.436 471 E N 0.827 120.902 120.200 -0.208 0.000 2.118 471 E HA -0.269 4.083 4.350 0.003 0.000 0.195 471 E C 2.175 178.302 176.600 -0.789 0.000 0.992 471 E CA 1.386 57.410 56.400 -0.626 0.000 0.804 471 E CB 0.041 29.421 29.700 -0.534 0.000 0.741 471 E HN 0.459 nan 8.360 nan 0.000 0.458 472 A N 1.147 123.765 122.820 -0.336 0.000 1.855 472 A HA -0.176 4.146 4.320 0.003 0.000 0.215 472 A C 2.103 179.666 177.584 -0.035 0.000 1.191 472 A CA 1.322 53.288 52.037 -0.120 0.000 0.613 472 A CB -0.518 18.459 19.000 -0.038 0.000 0.829 472 A HN 0.217 nan 8.150 nan 0.000 0.442 473 E N 0.015 120.186 120.200 -0.048 0.000 2.035 473 E HA -0.205 4.147 4.350 0.003 0.000 0.204 473 E C 2.420 179.043 176.600 0.038 0.000 1.025 473 E CA 2.094 58.496 56.400 0.004 0.000 0.835 473 E CB -0.982 28.715 29.700 -0.005 0.000 0.764 473 E HN 0.580 nan 8.360 nan 0.000 0.457 474 V N -0.504 119.403 119.914 -0.010 0.000 2.282 474 V HA -0.252 3.870 4.120 0.003 0.000 0.249 474 V C 2.324 178.573 176.094 0.259 0.000 1.057 474 V CA 2.007 64.347 62.300 0.066 0.000 1.032 474 V CB -1.076 30.719 31.823 -0.047 0.000 0.645 474 V HN 0.022 nan 8.190 nan 0.000 0.447 475 F N 1.378 121.341 119.950 0.021 0.000 2.192 475 F HA -0.074 4.455 4.527 0.003 0.000 0.301 475 F C 2.786 178.644 175.800 0.097 0.000 1.079 475 F CA 1.952 59.987 58.000 0.059 0.000 1.303 475 F CB -0.941 38.041 39.000 -0.029 0.000 1.024 475 F HN 0.275 nan 8.300 nan 0.000 0.494 476 R N 0.887 121.548 120.500 0.267 0.000 2.062 476 R HA -0.123 4.219 4.340 0.003 0.000 0.229 476 R C 2.090 178.489 176.300 0.164 0.000 1.128 476 R CA 1.013 57.219 56.100 0.178 0.000 0.960 476 R CB -0.861 29.513 30.300 0.124 0.000 0.855 476 R HN 0.251 nan 8.270 nan 0.000 0.432 477 L N 1.109 122.429 121.223 0.163 0.000 2.661 477 L HA -0.117 4.225 4.340 0.003 0.000 0.236 477 L C 1.974 178.925 176.870 0.134 0.000 1.176 477 L CA 1.380 56.310 54.840 0.151 0.000 0.836 477 L CB -0.139 42.012 42.059 0.153 0.000 0.960 477 L HN 0.303 nan 8.230 nan 0.000 0.455 478 A N -1.558 121.370 122.820 0.180 0.000 2.431 478 A HA 0.483 4.804 4.320 0.003 0.000 0.239 478 A C 1.717 179.450 177.584 0.248 0.000 1.230 478 A CA 0.416 52.559 52.037 0.176 0.000 0.928 478 A CB 0.029 19.132 19.000 0.170 0.000 1.006 478 A HN 0.350 nan 8.150 nan 0.000 0.520 479 G N 0.315 109.225 108.800 0.183 0.000 2.187 479 G HA2 -0.239 3.723 3.960 0.003 0.000 0.261 479 G HA3 -0.239 3.723 3.960 0.003 0.000 0.261 479 G C 0.036 175.063 174.900 0.211 0.000 1.000 479 G CA 1.453 46.636 45.100 0.138 0.000 0.718 479 G HN 2.233 nan 8.290 nan 0.000 0.519 480 H N -3.337 115.747 119.070 0.023 0.000 3.041 480 H HA 0.519 5.077 4.556 0.003 0.000 0.293 480 H C -3.185 172.128 175.328 -0.024 0.000 1.166 480 H CA -1.237 54.801 56.048 -0.018 0.000 1.529 480 H CB 0.604 30.336 29.762 -0.051 0.000 2.050 480 H HN 0.140 nan 8.280 nan 0.000 0.505 481 P HA 0.327 nan 4.420 nan 0.000 0.275 481 P C -0.873 175.970 177.300 -0.762 0.000 1.266 481 P CA -0.160 62.294 63.100 -1.078 0.000 0.793 481 P CB 0.755 31.786 31.700 -1.116 0.000 1.074 482 F N -4.000 115.219 119.950 -1.218 0.000 2.728 482 F HA 0.297 4.826 4.527 0.003 0.000 0.315 482 F C -1.020 174.639 175.800 -0.235 0.000 1.096 482 F CA -1.425 56.244 58.000 -0.552 0.000 0.997 482 F CB -0.416 38.315 39.000 -0.448 0.000 1.252 482 F HN 0.098 nan 8.300 nan 0.000 0.458 483 N N 2.585 121.218 118.700 -0.111 0.000 2.294 483 N HA -0.023 4.719 4.740 0.003 0.000 0.263 483 N C 0.346 175.757 175.510 -0.165 0.000 1.281 483 N CA 0.368 53.378 53.050 -0.067 0.000 0.846 483 N CB 0.833 39.329 38.487 0.015 0.000 1.061 483 N HN 0.969 nan 8.380 nan 0.000 0.478 484 L N 3.447 124.544 121.223 -0.210 0.000 2.592 484 L HA 0.124 4.466 4.340 0.003 0.000 0.227 484 L C 1.211 177.993 176.870 -0.147 0.000 1.127 484 L CA 0.135 54.753 54.840 -0.370 0.000 0.884 484 L CB -0.005 41.613 42.059 -0.734 0.000 1.065 484 L HN 0.544 nan 8.230 nan 0.000 0.457 485 N N -1.146 117.559 118.700 0.008 0.000 2.388 485 N HA -0.037 4.705 4.740 0.003 0.000 0.176 485 N C 0.787 176.334 175.510 0.063 0.000 1.062 485 N CA 0.162 53.259 53.050 0.079 0.000 0.895 485 N CB 0.522 39.067 38.487 0.097 0.000 1.018 485 N HN 0.019 nan 8.380 nan 0.000 0.456 486 S N 1.652 117.387 115.700 0.058 0.000 2.414 486 S HA 0.129 4.601 4.470 0.003 0.000 0.290 486 S C 1.312 175.963 174.600 0.086 0.000 1.160 486 S CA -0.697 57.545 58.200 0.070 0.000 1.069 486 S CB 0.613 63.858 63.200 0.075 0.000 1.012 486 S HN 0.230 nan 8.310 nan 0.000 0.510 487 R N 4.082 124.629 120.500 0.077 0.000 2.127 487 R HA -0.075 4.267 4.340 0.003 0.000 0.238 487 R C 1.177 177.536 176.300 0.097 0.000 1.134 487 R CA 1.781 57.933 56.100 0.087 0.000 0.975 487 R CB -0.628 29.721 30.300 0.082 0.000 0.865 487 R HN 0.441 nan 8.270 nan 0.000 0.447 488 D N 1.165 121.616 120.400 0.086 0.000 2.092 488 D HA -0.164 4.478 4.640 0.003 0.000 0.193 488 D C 2.061 178.412 176.300 0.085 0.000 0.994 488 D CA 1.504 55.553 54.000 0.081 0.000 0.828 488 D CB -0.293 40.545 40.800 0.063 0.000 0.963 488 D HN 0.450 nan 8.370 nan 0.000 0.450 489 Q N -0.183 119.679 119.800 0.102 0.000 2.135 489 Q HA -0.142 4.199 4.340 0.003 0.000 0.204 489 Q C 2.329 178.385 176.000 0.093 0.000 0.981 489 Q CA 0.634 56.511 55.803 0.123 0.000 0.856 489 Q CB -0.123 28.755 28.738 0.233 0.000 0.902 489 Q HN 0.203 nan 8.270 nan 0.000 0.425 490 L N 0.928 122.240 121.223 0.148 0.000 2.156 490 L HA -0.154 4.188 4.340 0.003 0.000 0.208 490 L C 2.270 179.109 176.870 -0.052 0.000 1.095 490 L CA 1.420 56.315 54.840 0.091 0.000 0.770 490 L CB -0.202 41.926 42.059 0.116 0.000 0.914 490 L HN 0.199 nan 8.230 nan 0.000 0.439 491 E N -0.553 119.675 120.200 0.046 0.000 2.017 491 E HA -0.250 4.102 4.350 0.003 0.000 0.193 491 E C 2.201 178.858 176.600 0.096 0.000 0.997 491 E CA 1.185 57.685 56.400 0.167 0.000 0.804 491 E CB -0.013 29.836 29.700 0.247 0.000 0.757 491 E HN 0.378 nan 8.360 nan 0.000 0.448 492 R N 0.181 120.706 120.500 0.042 0.000 2.127 492 R HA -0.122 4.220 4.340 0.003 0.000 0.238 492 R C 2.376 178.616 176.300 -0.100 0.000 1.134 492 R CA 1.133 57.230 56.100 -0.004 0.000 0.975 492 R CB -0.570 29.722 30.300 -0.014 0.000 0.865 492 R HN 0.222 nan 8.270 nan 0.000 0.447 493 V N 1.465 121.256 119.914 -0.205 0.000 2.302 493 V HA -0.160 3.962 4.120 0.003 0.000 0.243 493 V C 2.466 178.380 176.094 -0.300 0.000 1.036 493 V CA 1.336 63.437 62.300 -0.331 0.000 1.020 493 V CB -0.436 30.994 31.823 -0.655 0.000 0.657 493 V HN 0.116 nan 8.190 nan 0.000 0.453 494 L N -1.135 119.861 121.223 -0.378 0.000 1.973 494 L HA -0.111 4.231 4.340 0.003 0.000 0.208 494 L C 2.407 179.009 176.870 -0.447 0.000 1.073 494 L CA 1.872 56.393 54.840 -0.531 0.000 0.746 494 L CB -0.684 40.839 42.059 -0.894 0.000 0.891 494 L HN 0.227 nan 8.230 nan 0.000 0.433 495 F N -0.170 119.748 119.950 -0.053 0.000 2.118 495 F HA -0.101 4.427 4.527 0.003 0.000 0.293 495 F C 2.190 177.965 175.800 -0.042 0.000 1.102 495 F CA 0.642 58.621 58.000 -0.036 0.000 1.247 495 F CB -0.916 38.072 39.000 -0.021 0.000 1.017 495 F HN 0.051 nan 8.300 nan 0.000 0.475 496 D N 0.502 120.978 120.400 0.126 0.000 2.074 496 D HA -0.119 4.523 4.640 0.003 0.000 0.221 496 D C 2.150 178.442 176.300 -0.014 0.000 0.972 496 D CA 1.329 55.357 54.000 0.047 0.000 0.901 496 D CB -0.879 39.935 40.800 0.024 0.000 1.047 496 D HN 0.186 nan 8.370 nan 0.000 0.453 497 E N 0.304 120.465 120.200 -0.064 0.000 2.095 497 E HA -0.175 4.177 4.350 0.003 0.000 0.212 497 E C 0.586 177.136 176.600 -0.084 0.000 1.044 497 E CA 0.835 57.177 56.400 -0.096 0.000 0.857 497 E CB -0.306 29.306 29.700 -0.146 0.000 0.764 497 E HN 0.288 nan 8.360 nan 0.000 0.462 498 L N -0.041 121.115 121.223 -0.113 0.000 2.399 498 L HA 0.273 4.615 4.340 0.003 0.000 0.266 498 L C 1.352 178.201 176.870 -0.034 0.000 1.114 498 L CA -0.278 54.500 54.840 -0.102 0.000 0.804 498 L CB 0.804 42.726 42.059 -0.228 0.000 1.146 498 L HN 0.063 nan 8.230 nan 0.000 0.451 499 G N 2.414 111.220 108.800 0.010 0.000 3.210 499 G HA2 0.204 4.166 3.960 0.003 0.000 0.220 499 G HA3 0.204 4.166 3.960 0.003 0.000 0.220 499 G C 0.526 175.474 174.900 0.080 0.000 1.200 499 G CA -0.405 44.724 45.100 0.047 0.000 0.834 499 G HN 0.367 nan 8.290 nan 0.000 0.524 500 L N 2.059 123.324 121.223 0.070 0.000 2.540 500 L HA 0.140 4.482 4.340 0.003 0.000 0.276 500 L C -1.458 175.559 176.870 0.245 0.000 1.212 500 L CA -1.221 53.689 54.840 0.117 0.000 0.893 500 L CB 0.323 42.389 42.059 0.011 0.000 1.138 500 L HN 0.052 nan 8.230 nan 0.000 0.491 501 P HA 0.046 nan 4.420 nan 0.000 0.265 501 P C -0.696 176.719 177.300 0.192 0.000 1.222 501 P CA -0.285 62.911 63.100 0.159 0.000 0.767 501 P CB 0.792 32.554 31.700 0.104 0.000 0.801 502 A N 4.783 127.625 122.820 0.037 0.000 2.444 502 A HA 0.149 4.471 4.320 0.003 0.000 0.287 502 A C 1.431 178.936 177.584 -0.132 0.000 1.195 502 A CA -0.357 51.502 52.037 -0.298 0.000 0.858 502 A CB -0.764 17.873 19.000 -0.603 0.000 1.117 502 A HN 0.548 nan 8.150 nan 0.000 0.521 503 I N 2.257 122.803 120.570 -0.041 0.000 2.333 503 I HA 0.086 4.258 4.170 0.003 0.000 0.246 503 I C 1.499 177.597 176.117 -0.032 0.000 1.106 503 I CA 1.301 62.600 61.300 -0.002 0.000 1.411 503 I CB -0.074 37.958 38.000 0.053 0.000 1.082 503 I HN 0.662 nan 8.210 nan 0.000 0.420 504 G N -0.222 108.539 108.800 -0.064 0.000 2.682 504 G HA2 0.681 4.643 3.960 0.003 0.000 0.290 504 G HA3 0.681 4.643 3.960 0.003 0.000 0.290 504 G C -1.296 173.551 174.900 -0.088 0.000 1.425 504 G CA -0.112 44.956 45.100 -0.054 0.000 0.807 504 G HN 0.090 nan 8.290 nan 0.000 0.482 505 K N -0.871 119.495 120.400 -0.057 0.000 2.306 505 K HA 0.930 5.252 4.320 0.003 0.000 0.236 505 K C 0.592 177.181 176.600 -0.019 0.000 1.013 505 K CA -0.047 56.207 56.287 -0.054 0.000 0.857 505 K CB 0.965 33.433 32.500 -0.054 0.000 1.214 505 K HN 1.606 nan 8.250 nan 0.000 0.449 506 T N -1.549 112.999 114.554 -0.010 0.000 2.882 506 T HA 0.240 4.592 4.350 0.003 0.000 0.287 506 T C 0.692 175.393 174.700 0.002 0.000 1.014 506 T CA -0.352 61.750 62.100 0.004 0.000 1.049 506 T CB 1.216 70.092 68.868 0.014 0.000 1.001 506 T HN 0.575 nan 8.240 nan 0.000 0.525 507 E N 1.074 121.277 120.200 0.005 0.000 2.006 507 E HA -0.069 4.283 4.350 0.003 0.000 0.192 507 E C 1.969 178.571 176.600 0.003 0.000 0.993 507 E CA 1.284 57.687 56.400 0.003 0.000 0.808 507 E CB -0.149 29.553 29.700 0.004 0.000 0.764 507 E HN 0.686 nan 8.360 nan 0.000 0.449 508 K N -0.355 120.048 120.400 0.005 0.000 1.965 508 K HA -0.109 4.213 4.320 0.003 0.000 0.214 508 K C 2.275 178.877 176.600 0.004 0.000 1.046 508 K CA 2.333 58.623 56.287 0.005 0.000 0.944 508 K CB -0.436 32.068 32.500 0.007 0.000 0.726 508 K HN 0.239 nan 8.250 nan 0.000 0.441 509 T N -3.386 111.172 114.554 0.006 0.000 3.035 509 T HA 0.116 4.468 4.350 0.003 0.000 0.259 509 T C 1.327 176.027 174.700 0.000 0.000 1.078 509 T CA 0.730 62.833 62.100 0.005 0.000 1.132 509 T CB 0.126 68.999 68.868 0.009 0.000 0.900 509 T HN 0.388 nan 8.240 nan 0.000 0.480 510 G N 1.770 110.569 108.800 -0.002 0.000 2.160 510 G HA2 -0.229 3.733 3.960 0.003 0.000 0.244 510 G HA3 -0.229 3.733 3.960 0.003 0.000 0.244 510 G C 0.040 174.929 174.900 -0.018 0.000 1.022 510 G CA 0.308 45.402 45.100 -0.010 0.000 0.741 510 G HN 0.699 nan 8.290 nan 0.000 0.508 511 K N -0.829 119.565 120.400 -0.009 0.000 2.233 511 K HA 0.430 4.752 4.320 0.003 0.000 0.239 511 K C 0.889 177.462 176.600 -0.045 0.000 1.064 511 K CA -0.607 55.672 56.287 -0.014 0.000 0.884 511 K CB 0.491 33.000 32.500 0.016 0.000 1.166 511 K HN 0.146 nan 8.250 nan 0.000 0.512 512 R N 0.810 121.267 120.500 -0.072 0.000 2.296 512 R HA 0.024 4.366 4.340 0.003 0.000 0.323 512 R C -0.247 176.038 176.300 -0.025 0.000 1.067 512 R CA 0.077 56.053 56.100 -0.206 0.000 0.946 512 R CB 0.764 30.764 30.300 -0.500 0.000 0.991 512 R HN 0.437 nan 8.270 nan 0.000 0.448 513 S N 1.744 117.434 115.700 -0.015 0.000 2.531 513 S HA -0.007 4.465 4.470 0.003 0.000 0.279 513 S C 1.009 175.740 174.600 0.218 0.000 1.305 513 S CA -0.225 58.028 58.200 0.088 0.000 1.058 513 S CB 0.814 64.046 63.200 0.054 0.000 0.899 513 S HN 0.712 nan 8.310 nan 0.000 0.493 514 T N 1.660 116.339 114.554 0.208 0.000 3.223 514 T HA 0.271 4.623 4.350 0.003 0.000 0.259 514 T C 0.735 175.511 174.700 0.127 0.000 1.015 514 T CA 0.028 62.251 62.100 0.205 0.000 0.908 514 T CB -0.694 68.262 68.868 0.147 0.000 1.054 514 T HN 0.760 nan 8.240 nan 0.000 0.567 515 S N 0.531 116.300 115.700 0.115 0.000 2.572 515 S HA 0.396 4.868 4.470 0.003 0.000 0.262 515 S C 1.879 176.525 174.600 0.077 0.000 1.375 515 S CA -0.046 58.204 58.200 0.083 0.000 0.996 515 S CB 0.333 63.575 63.200 0.069 0.000 0.892 515 S HN 0.637 nan 8.310 nan 0.000 0.562 516 A N 2.479 125.336 122.820 0.062 0.000 1.873 516 A HA 0.228 4.550 4.320 0.003 0.000 0.215 516 A C 2.536 180.152 177.584 0.054 0.000 1.186 516 A CA 1.819 53.889 52.037 0.055 0.000 0.616 516 A CB -1.781 17.247 19.000 0.047 0.000 0.823 516 A HN 1.462 nan 8.150 nan 0.000 0.442 517 A N -0.362 122.489 122.820 0.051 0.000 1.865 517 A HA -0.068 4.254 4.320 0.003 0.000 0.217 517 A C 2.238 179.858 177.584 0.060 0.000 1.191 517 A CA 1.986 54.052 52.037 0.048 0.000 0.623 517 A CB -1.233 17.793 19.000 0.042 0.000 0.826 517 A HN 0.425 nan 8.150 nan 0.000 0.444 518 V N -0.351 119.608 119.914 0.076 0.000 2.231 518 V HA -0.329 3.793 4.120 0.003 0.000 0.250 518 V C 2.584 178.740 176.094 0.103 0.000 1.058 518 V CA 2.407 64.769 62.300 0.104 0.000 1.022 518 V CB -0.876 31.035 31.823 0.147 0.000 0.640 518 V HN 0.529 nan 8.190 nan 0.000 0.445 519 L N -0.299 120.978 121.223 0.091 0.000 1.989 519 L HA -0.185 4.157 4.340 0.003 0.000 0.211 519 L C 2.519 179.424 176.870 0.058 0.000 1.071 519 L CA 1.921 56.801 54.840 0.068 0.000 0.749 519 L CB -0.956 41.133 42.059 0.050 0.000 0.890 519 L HN 0.379 nan 8.230 nan 0.000 0.431 520 E N -0.576 119.655 120.200 0.052 0.000 2.147 520 E HA -0.283 4.069 4.350 0.003 0.000 0.199 520 E C 2.035 178.662 176.600 0.045 0.000 1.005 520 E CA 1.330 57.756 56.400 0.043 0.000 0.810 520 E CB -0.288 29.434 29.700 0.037 0.000 0.736 520 E HN 0.537 nan 8.360 nan 0.000 0.460 521 A N 0.540 123.391 122.820 0.053 0.000 2.216 521 A HA -0.042 4.280 4.320 0.003 0.000 0.214 521 A C 1.705 179.326 177.584 0.063 0.000 1.160 521 A CA 0.645 52.715 52.037 0.055 0.000 0.725 521 A CB -0.136 18.900 19.000 0.060 0.000 0.784 521 A HN 0.138 nan 8.150 nan 0.000 0.472 522 L N -1.831 119.431 121.223 0.066 0.000 3.122 522 L HA 0.216 4.558 4.340 0.003 0.000 0.274 522 L C 1.910 178.818 176.870 0.063 0.000 1.222 522 L CA -0.436 54.447 54.840 0.071 0.000 1.028 522 L CB -0.093 42.014 42.059 0.079 0.000 1.386 522 L HN 0.166 nan 8.230 nan 0.000 0.578 523 R N 1.101 121.632 120.500 0.051 0.000 2.097 523 R HA -0.152 4.190 4.340 0.003 0.000 0.236 523 R C 1.784 178.109 176.300 0.042 0.000 1.135 523 R CA 1.630 57.757 56.100 0.044 0.000 0.934 523 R CB -0.070 30.251 30.300 0.035 0.000 0.846 523 R HN 0.383 nan 8.270 nan 0.000 0.431 524 E N 0.602 120.823 120.200 0.036 0.000 2.013 524 E HA -0.219 4.133 4.350 0.003 0.000 0.202 524 E C 1.980 178.597 176.600 0.028 0.000 1.018 524 E CA 1.289 57.705 56.400 0.027 0.000 0.834 524 E CB -0.769 28.947 29.700 0.027 0.000 0.770 524 E HN 0.295 nan 8.360 nan 0.000 0.459 525 A N 2.695 125.542 122.820 0.046 0.000 2.127 525 A HA -0.230 4.091 4.320 0.003 0.000 0.225 525 A C 1.399 179.014 177.584 0.052 0.000 1.543 525 A CA 1.844 53.917 52.037 0.061 0.000 0.873 525 A CB -1.090 17.968 19.000 0.097 0.000 0.808 525 A HN 0.379 nan 8.150 nan 0.000 0.510 526 H N -0.328 118.748 119.070 0.009 0.000 2.479 526 H HA 0.314 4.872 4.556 0.003 0.000 0.335 526 H C -1.611 173.721 175.328 0.006 0.000 1.142 526 H CA -1.215 54.835 56.048 0.004 0.000 1.234 526 H CB 1.857 31.615 29.762 -0.007 0.000 1.503 526 H HN 0.197 nan 8.280 nan 0.000 0.510 527 P HA -0.079 nan 4.420 nan 0.000 0.220 527 P C 1.727 179.098 177.300 0.118 0.000 1.152 527 P CA 0.624 63.756 63.100 0.053 0.000 0.812 527 P CB 0.665 32.363 31.700 -0.002 0.000 0.792 528 I N -0.152 120.558 120.570 0.234 0.000 2.399 528 I HA -0.212 3.960 4.170 0.003 0.000 0.254 528 I C 2.006 178.168 176.117 0.075 0.000 1.146 528 I CA 0.964 62.352 61.300 0.147 0.000 1.412 528 I CB -0.063 38.011 38.000 0.125 0.000 1.076 528 I HN -0.217 nan 8.210 nan 0.000 0.432 529 V N 1.484 121.449 119.914 0.084 0.000 2.233 529 V HA -0.340 3.782 4.120 0.003 0.000 0.247 529 V C 2.966 179.085 176.094 0.043 0.000 1.050 529 V CA 2.648 64.977 62.300 0.047 0.000 1.010 529 V CB -1.505 30.353 31.823 0.058 0.000 0.637 529 V HN 0.665 nan 8.190 nan 0.000 0.444 530 E N 0.208 120.437 120.200 0.047 0.000 2.048 530 E HA -0.390 3.961 4.350 0.003 0.000 0.202 530 E C 2.036 178.660 176.600 0.040 0.000 1.021 530 E CA 2.209 58.633 56.400 0.039 0.000 0.825 530 E CB -0.782 28.938 29.700 0.034 0.000 0.756 530 E HN 0.608 nan 8.360 nan 0.000 0.454 531 K N -0.154 120.270 120.400 0.039 0.000 2.074 531 K HA 0.024 4.346 4.320 0.003 0.000 0.209 531 K C 2.095 178.723 176.600 0.047 0.000 1.048 531 K CA 1.332 57.641 56.287 0.037 0.000 0.926 531 K CB -0.422 32.095 32.500 0.028 0.000 0.713 531 K HN 0.530 nan 8.250 nan 0.000 0.444 532 I N 0.167 120.753 120.570 0.026 0.000 2.394 532 I HA -0.259 3.913 4.170 0.003 0.000 0.251 532 I C 1.848 178.008 176.117 0.071 0.000 1.136 532 I CA 0.861 62.166 61.300 0.008 0.000 1.425 532 I CB -0.101 37.886 38.000 -0.023 0.000 1.079 532 I HN 0.115 nan 8.210 nan 0.000 0.425 533 L N -0.050 121.210 121.223 0.062 0.000 2.056 533 L HA -0.246 4.096 4.340 0.003 0.000 0.207 533 L C 2.597 179.513 176.870 0.076 0.000 1.078 533 L CA 1.525 56.404 54.840 0.066 0.000 0.749 533 L CB -0.427 41.660 42.059 0.048 0.000 0.901 533 L HN 0.278 nan 8.230 nan 0.000 0.433 534 Q N -1.347 118.496 119.800 0.072 0.000 2.079 534 Q HA -0.253 4.089 4.340 0.003 0.000 0.200 534 Q C 2.039 178.083 176.000 0.073 0.000 0.974 534 Q CA 1.836 57.672 55.803 0.055 0.000 0.840 534 Q CB -0.352 28.409 28.738 0.038 0.000 0.898 534 Q HN 0.493 nan 8.270 nan 0.000 0.430 535 Y N 1.360 121.639 120.300 -0.036 0.000 2.165 535 Y HA -0.242 4.310 4.550 0.003 0.000 0.286 535 Y C 2.168 178.047 175.900 -0.035 0.000 1.155 535 Y CA 1.360 59.428 58.100 -0.053 0.000 1.164 535 Y CB 0.179 38.590 38.460 -0.081 0.000 0.978 535 Y HN -0.073 nan 8.280 nan 0.000 0.513 536 R N 0.461 121.125 120.500 0.274 0.000 2.096 536 R HA -0.184 4.158 4.340 0.003 0.000 0.235 536 R C 2.199 178.530 176.300 0.052 0.000 1.127 536 R CA 1.600 57.806 56.100 0.177 0.000 0.968 536 R CB -0.419 29.968 30.300 0.145 0.000 0.861 536 R HN 0.582 nan 8.270 nan 0.000 0.440 537 E N 0.658 120.878 120.200 0.034 0.000 1.998 537 E HA -0.207 4.145 4.350 0.003 0.000 0.196 537 E C 1.914 178.497 176.600 -0.028 0.000 1.003 537 E CA 1.122 57.527 56.400 0.008 0.000 0.829 537 E CB -0.044 29.658 29.700 0.004 0.000 0.777 537 E HN -0.004 nan 8.360 nan 0.000 0.460 538 L N 1.133 122.314 121.223 -0.070 0.000 2.010 538 L HA -0.306 4.036 4.340 0.003 0.000 0.219 538 L C 2.855 179.640 176.870 -0.142 0.000 1.077 538 L CA 2.726 57.498 54.840 -0.113 0.000 0.773 538 L CB -1.549 40.410 42.059 -0.165 0.000 0.892 538 L HN 0.482 nan 8.230 nan 0.000 0.436 539 T N -3.115 111.295 114.554 -0.241 0.000 2.684 539 T HA -0.294 4.058 4.350 0.003 0.000 0.267 539 T C 1.928 176.583 174.700 -0.075 0.000 1.036 539 T CA 1.455 63.420 62.100 -0.225 0.000 1.148 539 T CB -0.337 68.350 68.868 -0.301 0.000 0.863 539 T HN 0.060 nan 8.240 nan 0.000 0.436 540 K N 1.147 121.538 120.400 -0.016 0.000 1.987 540 K HA -0.040 4.282 4.320 0.003 0.000 0.216 540 K C 2.117 178.798 176.600 0.136 0.000 1.051 540 K CA 1.239 57.559 56.287 0.054 0.000 0.942 540 K CB -1.103 31.448 32.500 0.085 0.000 0.722 540 K HN 0.242 nan 8.250 nan 0.000 0.444 541 L N 1.310 122.628 121.223 0.160 0.000 2.021 541 L HA -0.198 4.144 4.340 0.003 0.000 0.215 541 L C 2.391 179.405 176.870 0.239 0.000 1.074 541 L CA 2.094 57.090 54.840 0.260 0.000 0.760 541 L CB -1.197 40.897 42.059 0.059 0.000 0.889 541 L HN 0.344 nan 8.230 nan 0.000 0.433 542 K N -0.279 120.162 120.400 0.068 0.000 1.965 542 K HA -0.184 4.138 4.320 0.003 0.000 0.214 542 K C 2.354 178.958 176.600 0.007 0.000 1.046 542 K CA 1.884 58.181 56.287 0.017 0.000 0.944 542 K CB -0.354 32.114 32.500 -0.054 0.000 0.726 542 K HN 0.352 nan 8.250 nan 0.000 0.441 543 S N -0.349 115.331 115.700 -0.032 0.000 2.378 543 S HA -0.224 4.248 4.470 0.003 0.000 0.229 543 S C 1.875 176.409 174.600 -0.110 0.000 1.052 543 S CA 2.212 60.374 58.200 -0.062 0.000 1.084 543 S CB -1.302 61.861 63.200 -0.062 0.000 0.950 543 S HN 0.512 nan 8.310 nan 0.000 0.440 544 T N -0.566 113.881 114.554 -0.178 0.000 3.081 544 T HA 0.298 4.650 4.350 0.003 0.000 0.255 544 T C 0.681 174.941 174.700 -0.733 0.000 1.113 544 T CA 0.764 62.568 62.100 -0.493 0.000 1.082 544 T CB -0.187 68.239 68.868 -0.737 0.000 0.939 544 T HN 0.675 nan 8.240 nan 0.000 0.506 545 Y N -0.427 119.880 120.300 0.012 0.000 3.280 545 Y HA 0.419 4.971 4.550 0.004 0.000 0.195 545 Y C 1.894 177.804 175.900 0.018 0.000 0.916 545 Y CA -0.808 57.315 58.100 0.039 0.000 1.655 545 Y CB -0.108 38.389 38.460 0.060 0.000 1.472 545 Y HN -0.081 nan 8.280 nan 0.000 0.384 546 I N 0.927 121.611 120.570 0.189 0.000 2.399 546 I HA -0.292 3.880 4.170 0.003 0.000 0.254 546 I C 1.017 177.142 176.117 0.013 0.000 1.146 546 I CA 1.929 63.266 61.300 0.062 0.000 1.412 546 I CB -0.227 37.779 38.000 0.011 0.000 1.076 546 I HN 0.345 nan 8.210 nan 0.000 0.432 547 D N 0.004 120.406 120.400 0.005 0.000 2.414 547 D HA -0.002 4.640 4.640 0.003 0.000 0.237 547 D C -0.484 175.801 176.300 -0.025 0.000 0.975 547 D CA 0.656 54.643 54.000 -0.022 0.000 0.917 547 D CB -1.145 39.633 40.800 -0.036 0.000 1.061 547 D HN 0.199 nan 8.370 nan 0.000 0.480 548 P HA -0.045 nan 4.420 nan 0.000 0.221 548 P C 1.793 179.084 177.300 -0.015 0.000 1.150 548 P CA 0.682 63.757 63.100 -0.041 0.000 0.800 548 P CB 0.302 31.959 31.700 -0.070 0.000 0.787 549 L N 0.083 121.315 121.223 0.016 0.000 1.955 549 L HA -0.127 4.215 4.340 0.003 0.000 0.213 549 L C -0.111 176.774 176.870 0.025 0.000 1.072 549 L CA 2.488 57.353 54.840 0.043 0.000 0.755 549 L CB -2.401 39.699 42.059 0.068 0.000 0.888 549 L HN 0.005 nan 8.230 nan 0.000 0.432 550 P HA -0.224 nan 4.420 nan 0.000 0.218 550 P C 0.852 178.165 177.300 0.022 0.000 1.165 550 P CA 1.860 64.964 63.100 0.008 0.000 0.922 550 P CB -0.169 31.529 31.700 -0.004 0.000 0.794 551 D N -0.879 119.520 120.400 -0.001 0.000 2.221 551 D HA -0.117 4.525 4.640 0.003 0.000 0.204 551 D C 1.698 177.992 176.300 -0.011 0.000 0.982 551 D CA 0.902 54.889 54.000 -0.021 0.000 0.857 551 D CB -0.770 39.992 40.800 -0.063 0.000 0.934 551 D HN 0.259 nan 8.370 nan 0.000 0.475 552 L N 0.324 121.566 121.223 0.032 0.000 2.650 552 L HA 0.034 4.376 4.340 0.003 0.000 0.235 552 L C 0.550 177.655 176.870 0.391 0.000 1.149 552 L CA -0.407 54.508 54.840 0.124 0.000 0.887 552 L CB -0.122 42.015 42.059 0.130 0.000 1.021 552 L HN -0.076 nan 8.230 nan 0.000 0.441 553 I N -0.048 120.691 120.570 0.281 0.000 2.618 553 I HA -0.065 4.107 4.170 0.003 0.000 0.284 553 I C 0.911 177.295 176.117 0.445 0.000 1.146 553 I CA 0.239 61.724 61.300 0.309 0.000 1.425 553 I CB 0.132 38.231 38.000 0.165 0.000 1.383 553 I HN 0.034 nan 8.210 nan 0.000 0.562 554 H N 9.516 128.758 119.070 0.286 0.000 2.803 554 H HA 0.123 4.681 4.556 0.003 0.000 0.330 554 H C -1.664 173.683 175.328 0.033 0.000 1.057 554 H CA -1.307 54.711 56.048 -0.050 0.000 1.458 554 H CB 1.347 30.815 29.762 -0.490 0.000 1.470 554 H HN 0.423 nan 8.280 nan 0.000 0.560 555 P HA -0.110 nan 4.420 nan 0.000 0.221 555 P C 1.140 178.482 177.300 0.071 0.000 1.150 555 P CA 1.209 64.309 63.100 0.001 0.000 0.800 555 P CB 0.134 31.816 31.700 -0.031 0.000 0.787 556 R N 0.110 120.739 120.500 0.214 0.000 2.334 556 R HA 0.232 4.574 4.340 0.003 0.000 0.220 556 R C 1.677 178.028 176.300 0.085 0.000 0.917 556 R CA 1.424 57.618 56.100 0.156 0.000 1.073 556 R CB -1.516 28.870 30.300 0.144 0.000 1.056 556 R HN 0.515 nan 8.270 nan 0.000 0.506 557 T N -6.906 107.722 114.554 0.124 0.000 3.154 557 T HA 0.280 4.632 4.350 0.003 0.000 0.258 557 T C 1.639 176.397 174.700 0.096 0.000 0.899 557 T CA 1.158 63.310 62.100 0.086 0.000 0.908 557 T CB -0.028 68.925 68.868 0.141 0.000 1.260 557 T HN 1.487 nan 8.240 nan 0.000 0.521 558 G N 2.250 111.130 108.800 0.133 0.000 2.225 558 G HA2 -0.192 3.769 3.960 0.003 0.000 0.264 558 G HA3 -0.192 3.769 3.960 0.003 0.000 0.264 558 G C -0.148 174.799 174.900 0.078 0.000 1.060 558 G CA 0.203 45.358 45.100 0.093 0.000 0.833 558 G HN 0.849 nan 8.290 nan 0.000 0.498 559 R N -1.401 119.187 120.500 0.146 0.000 2.740 559 R HA 0.613 4.955 4.340 0.003 0.000 0.273 559 R C -0.230 176.100 176.300 0.051 0.000 0.998 559 R CA -1.100 55.014 56.100 0.023 0.000 0.900 559 R CB 1.486 31.712 30.300 -0.122 0.000 1.223 559 R HN 0.120 nan 8.270 nan 0.000 0.466 560 L N 2.792 123.985 121.223 -0.051 0.000 2.319 560 L HA 0.252 4.594 4.340 0.003 0.000 0.280 560 L C -0.599 176.189 176.870 -0.137 0.000 1.099 560 L CA -0.151 54.725 54.840 0.059 0.000 0.828 560 L CB 0.332 42.452 42.059 0.101 0.000 1.150 560 L HN 0.492 nan 8.230 nan 0.000 0.442 561 H N 1.356 120.510 119.070 0.141 0.000 2.638 561 H HA 0.300 4.858 4.556 0.004 0.000 0.303 561 H C -0.024 175.377 175.328 0.123 0.000 1.034 561 H CA -0.433 55.668 56.048 0.089 0.000 1.225 561 H CB 1.004 30.753 29.762 -0.022 0.000 1.394 561 H HN 0.487 nan 8.280 nan 0.000 0.477 562 T N 2.142 116.779 114.554 0.140 0.000 2.788 562 T HA 0.355 4.707 4.350 0.003 0.000 0.280 562 T C 0.303 175.021 174.700 0.030 0.000 0.984 562 T CA -0.676 61.438 62.100 0.024 0.000 0.972 562 T CB 0.813 69.566 68.868 -0.192 0.000 1.039 562 T HN 0.447 nan 8.240 nan 0.000 0.530 563 R N 0.195 120.638 120.500 -0.095 0.000 2.388 563 R HA 0.362 4.704 4.340 0.003 0.000 0.314 563 R C -1.475 174.737 176.300 -0.146 0.000 0.959 563 R CA -0.408 55.681 56.100 -0.019 0.000 0.851 563 R CB 0.335 30.646 30.300 0.018 0.000 1.168 563 R HN 0.468 nan 8.270 nan 0.000 0.472 564 F N 3.372 123.324 119.950 0.003 0.000 2.351 564 F HA 0.278 4.807 4.527 0.003 0.000 0.362 564 F C 0.072 175.859 175.800 -0.022 0.000 1.131 564 F CA -0.691 57.301 58.000 -0.014 0.000 1.187 564 F CB 0.582 39.559 39.000 -0.039 0.000 1.434 564 F HN 0.409 nan 8.300 nan 0.000 0.553 565 N N 2.803 121.547 118.700 0.073 0.000 2.452 565 N HA 0.042 4.784 4.740 0.003 0.000 0.266 565 N C 0.889 176.390 175.510 -0.015 0.000 1.175 565 N CA -0.108 52.953 53.050 0.019 0.000 0.945 565 N CB 0.824 39.304 38.487 -0.011 0.000 1.063 565 N HN 0.620 nan 8.380 nan 0.000 0.472 566 Q N 0.711 120.465 119.800 -0.076 0.000 2.089 566 Q HA -0.051 4.290 4.340 0.003 0.000 0.195 566 Q C 0.413 176.108 176.000 -0.508 0.000 0.963 566 Q CA 0.930 56.630 55.803 -0.172 0.000 0.834 566 Q CB 0.326 28.992 28.738 -0.120 0.000 0.906 566 Q HN 0.773 nan 8.270 nan 0.000 0.452 567 T N -2.575 111.631 114.554 -0.580 0.000 3.315 567 T HA 0.629 4.981 4.350 0.003 0.000 0.275 567 T C 0.042 174.481 174.700 -0.436 0.000 1.598 567 T CA -0.001 61.440 62.100 -1.097 0.000 1.368 567 T CB 1.069 69.619 68.868 -0.529 0.000 1.079 567 T HN 0.164 nan 8.240 nan 0.000 0.703 568 A N 0.976 123.642 122.820 -0.257 0.000 2.548 568 A HA 0.487 4.808 4.320 0.003 0.000 0.236 568 A C 0.872 178.529 177.584 0.121 0.000 1.246 568 A CA -0.236 51.800 52.037 -0.001 0.000 0.993 568 A CB 0.614 19.605 19.000 -0.016 0.000 1.209 568 A HN 0.559 nan 8.150 nan 0.000 0.570 569 T N -0.505 114.179 114.554 0.216 0.000 2.925 569 T HA 0.550 4.902 4.350 0.003 0.000 0.285 569 T C 1.225 176.102 174.700 0.295 0.000 1.021 569 T CA 0.273 62.513 62.100 0.234 0.000 1.042 569 T CB 1.708 70.698 68.868 0.202 0.000 1.037 569 T HN 0.343 nan 8.240 nan 0.000 0.481 570 A N 1.086 123.995 122.820 0.148 0.000 2.081 570 A HA 0.073 4.395 4.320 0.003 0.000 0.214 570 A C 2.067 179.675 177.584 0.040 0.000 1.158 570 A CA 1.106 53.189 52.037 0.077 0.000 0.724 570 A CB -0.537 18.494 19.000 0.052 0.000 0.826 570 A HN 0.821 nan 8.150 nan 0.000 0.463 571 T N -4.385 110.211 114.554 0.070 0.000 3.065 571 T HA 0.405 4.757 4.350 0.003 0.000 0.252 571 T C 1.400 176.155 174.700 0.091 0.000 1.099 571 T CA 1.074 63.210 62.100 0.060 0.000 1.063 571 T CB 0.343 69.243 68.868 0.052 0.000 0.948 571 T HN 1.480 nan 8.240 nan 0.000 0.506 572 G N 1.386 110.289 108.800 0.171 0.000 2.179 572 G HA2 -0.197 3.765 3.960 0.003 0.000 0.220 572 G HA3 -0.197 3.765 3.960 0.003 0.000 0.220 572 G C 0.276 175.326 174.900 0.250 0.000 0.990 572 G CA -0.518 44.740 45.100 0.263 0.000 0.646 572 G HN 0.483 nan 8.290 nan 0.000 0.517 573 R N -0.189 120.426 120.500 0.192 0.000 2.774 573 R HA 0.550 4.892 4.340 0.003 0.000 0.269 573 R C 0.946 177.362 176.300 0.193 0.000 1.068 573 R CA -0.070 56.132 56.100 0.170 0.000 1.180 573 R CB 0.296 30.648 30.300 0.087 0.000 1.077 573 R HN 0.337 nan 8.270 nan 0.000 0.513 574 L N -0.047 121.319 121.223 0.238 0.000 2.416 574 L HA 0.373 4.715 4.340 0.003 0.000 0.263 574 L C 0.320 177.335 176.870 0.242 0.000 1.065 574 L CA -0.349 54.615 54.840 0.206 0.000 0.798 574 L CB 1.525 43.716 42.059 0.219 0.000 1.267 574 L HN 0.759 nan 8.230 nan 0.000 0.467 575 S N -0.557 115.245 115.700 0.169 0.000 2.542 575 S HA 0.449 4.921 4.470 0.003 0.000 0.276 575 S C -1.016 173.581 174.600 -0.004 0.000 1.148 575 S CA -0.715 57.560 58.200 0.124 0.000 0.886 575 S CB 1.729 64.985 63.200 0.092 0.000 1.109 575 S HN 0.606 nan 8.310 nan 0.000 0.458 576 S N 1.939 117.574 115.700 -0.109 0.000 2.501 576 S HA 0.817 5.289 4.470 0.003 0.000 0.301 576 S C -0.348 174.157 174.600 -0.158 0.000 1.096 576 S CA -0.350 57.669 58.200 -0.301 0.000 1.063 576 S CB 1.695 64.510 63.200 -0.640 0.000 1.042 576 S HN 0.950 nan 8.310 nan 0.000 0.494 577 S N 1.196 116.811 115.700 -0.141 0.000 2.689 577 S HA 0.444 4.916 4.470 0.003 0.000 0.306 577 S C -1.480 173.101 174.600 -0.032 0.000 1.104 577 S CA -0.533 57.633 58.200 -0.058 0.000 0.973 577 S CB 0.449 63.636 63.200 -0.022 0.000 1.121 577 S HN 0.994 nan 8.310 nan 0.000 0.523 578 D N 1.319 121.719 120.400 0.001 0.000 8.133 578 D HA -0.095 4.547 4.640 0.003 0.000 0.154 578 D C -2.408 173.946 176.300 0.089 0.000 1.258 578 D CA 0.062 54.081 54.000 0.033 0.000 0.886 578 D CB -0.957 39.868 40.800 0.042 0.000 1.696 578 D HN 0.143 nan 8.370 nan 0.000 0.965 579 P HA 0.253 nan 4.420 nan 0.000 0.289 579 P C -0.659 176.643 177.300 0.004 0.000 1.293 579 P CA -1.005 62.122 63.100 0.045 0.000 0.897 579 P CB 1.070 32.823 31.700 0.088 0.000 1.166 580 N N 1.629 120.326 118.700 -0.004 0.000 2.420 580 N HA 0.147 4.889 4.740 0.003 0.000 0.249 580 N C 0.162 175.696 175.510 0.040 0.000 1.033 580 N CA -0.162 52.869 53.050 -0.033 0.000 0.944 580 N CB -0.268 38.211 38.487 -0.014 0.000 1.113 580 N HN 0.313 nan 8.380 nan 0.000 0.502 581 L N 2.806 124.028 121.223 -0.001 0.000 2.791 581 L HA 0.212 4.554 4.340 0.003 0.000 0.239 581 L C 1.124 178.050 176.870 0.093 0.000 1.203 581 L CA 0.099 55.001 54.840 0.103 0.000 1.002 581 L CB 0.068 42.204 42.059 0.129 0.000 1.295 581 L HN 0.524 nan 8.230 nan 0.000 0.504 582 Q N 0.650 120.474 119.800 0.040 0.000 2.282 582 Q HA 0.062 4.404 4.340 0.003 0.000 0.206 582 Q C 0.890 176.930 176.000 0.067 0.000 0.878 582 Q CA 0.204 56.028 55.803 0.034 0.000 0.944 582 Q CB 0.437 29.147 28.738 -0.046 0.000 1.100 582 Q HN 0.679 nan 8.270 nan 0.000 0.509 583 N N -0.811 117.946 118.700 0.095 0.000 2.291 583 N HA 0.123 4.864 4.740 0.003 0.000 0.244 583 N C -0.351 175.188 175.510 0.049 0.000 1.216 583 N CA -0.379 52.730 53.050 0.099 0.000 0.879 583 N CB 0.622 39.211 38.487 0.170 0.000 1.167 583 N HN -0.053 nan 8.380 nan 0.000 0.515 584 I N 3.158 123.698 120.570 -0.050 0.000 2.742 584 I HA 0.083 4.255 4.170 0.003 0.000 0.287 584 I C -1.587 174.278 176.117 -0.420 0.000 1.186 584 I CA -2.156 59.001 61.300 -0.238 0.000 1.417 584 I CB -0.667 37.090 38.000 -0.406 0.000 1.377 584 I HN 0.105 nan 8.210 nan 0.000 0.556 585 P HA -0.070 nan 4.420 nan 0.000 0.271 585 P C 0.540 177.624 177.300 -0.360 0.000 1.212 585 P CA 0.350 63.194 63.100 -0.427 0.000 0.788 585 P CB 1.382 32.783 31.700 -0.499 0.000 0.865 586 V N 0.625 120.381 119.914 -0.264 0.000 3.524 586 V HA 0.030 4.152 4.120 0.003 0.000 0.257 586 V C 1.833 177.837 176.094 -0.149 0.000 1.775 586 V CA 0.416 62.572 62.300 -0.241 0.000 1.072 586 V CB -0.161 31.477 31.823 -0.308 0.000 0.940 586 V HN 0.421 nan 8.190 nan 0.000 0.357 587 R N 0.943 121.373 120.500 -0.118 0.000 2.057 587 R HA 0.193 4.535 4.340 0.003 0.000 0.224 587 R C 1.395 177.661 176.300 -0.056 0.000 1.136 587 R CA 1.324 57.381 56.100 -0.073 0.000 0.968 587 R CB -0.576 29.692 30.300 -0.054 0.000 0.863 587 R HN 0.580 nan 8.270 nan 0.000 0.433 588 T N 0.389 114.907 114.554 -0.060 0.000 2.813 588 T HA 0.112 4.464 4.350 0.003 0.000 0.297 588 T C -1.863 172.813 174.700 -0.041 0.000 1.036 588 T CA -1.778 60.297 62.100 -0.042 0.000 1.044 588 T CB 1.154 69.998 68.868 -0.040 0.000 0.993 588 T HN -0.169 nan 8.240 nan 0.000 0.535 589 P HA -0.035 nan 4.420 nan 0.000 0.216 589 P C 1.778 179.066 177.300 -0.020 0.000 1.153 589 P CA 0.280 63.370 63.100 -0.018 0.000 0.848 589 P CB -0.109 31.586 31.700 -0.009 0.000 0.787 590 L N 0.324 121.531 121.223 -0.027 0.000 1.990 590 L HA -0.099 4.243 4.340 0.003 0.000 0.213 590 L C 2.327 179.169 176.870 -0.046 0.000 1.072 590 L CA 2.527 57.348 54.840 -0.032 0.000 0.755 590 L CB -1.885 40.151 42.059 -0.039 0.000 0.889 590 L HN 0.010 nan 8.230 nan 0.000 0.432 591 G N -1.806 106.947 108.800 -0.080 0.000 2.448 591 G HA2 -0.239 3.723 3.960 0.003 0.000 0.219 591 G HA3 -0.239 3.723 3.960 0.003 0.000 0.219 591 G C 1.410 176.242 174.900 -0.114 0.000 1.127 591 G CA 0.615 45.633 45.100 -0.136 0.000 0.766 591 G HN 0.565 nan 8.290 nan 0.000 0.552 592 Q N 0.048 119.804 119.800 -0.074 0.000 2.046 592 Q HA -0.043 4.299 4.340 0.003 0.000 0.200 592 Q C 2.831 178.838 176.000 0.012 0.000 0.975 592 Q CA 0.871 56.641 55.803 -0.056 0.000 0.836 592 Q CB -0.193 28.522 28.738 -0.038 0.000 0.896 592 Q HN 0.454 nan 8.270 nan 0.000 0.428 593 R N 0.421 120.953 120.500 0.052 0.000 2.105 593 R HA -0.127 4.215 4.340 0.003 0.000 0.239 593 R C 2.255 178.703 176.300 0.247 0.000 1.135 593 R CA 1.205 57.400 56.100 0.159 0.000 0.967 593 R CB -0.486 29.899 30.300 0.141 0.000 0.861 593 R HN 0.261 nan 8.270 nan 0.000 0.442 594 I N 0.430 121.081 120.570 0.135 0.000 2.226 594 I HA -0.259 3.913 4.170 0.003 0.000 0.245 594 I C 2.735 179.014 176.117 0.269 0.000 1.100 594 I CA 1.187 62.588 61.300 0.169 0.000 1.374 594 I CB -0.200 37.818 38.000 0.031 0.000 1.057 594 I HN 0.074 nan 8.210 nan 0.000 0.413 595 R N 0.815 121.399 120.500 0.139 0.000 2.105 595 R HA -0.154 4.187 4.340 0.003 0.000 0.239 595 R C 2.439 178.928 176.300 0.316 0.000 1.135 595 R CA 1.317 57.504 56.100 0.144 0.000 0.967 595 R CB -0.123 30.081 30.300 -0.162 0.000 0.861 595 R HN 0.223 nan 8.270 nan 0.000 0.442 596 R N -0.370 120.248 120.500 0.197 0.000 2.096 596 R HA -0.146 4.196 4.340 0.003 0.000 0.240 596 R C 2.122 178.473 176.300 0.086 0.000 1.139 596 R CA 1.506 57.665 56.100 0.098 0.000 0.952 596 R CB -0.547 29.725 30.300 -0.047 0.000 0.854 596 R HN 0.273 nan 8.270 nan 0.000 0.436 597 A N 0.486 123.395 122.820 0.149 0.000 2.255 597 A HA -0.151 4.171 4.320 0.003 0.000 0.218 597 A C 0.361 177.924 177.584 -0.036 0.000 1.175 597 A CA 0.986 53.076 52.037 0.089 0.000 0.682 597 A CB -0.511 18.645 19.000 0.261 0.000 0.784 597 A HN 0.173 nan 8.150 nan 0.000 0.482 598 F N 0.719 120.754 119.950 0.142 0.000 2.309 598 F HA 0.436 4.965 4.527 0.004 0.000 0.366 598 F C 0.510 176.355 175.800 0.076 0.000 1.104 598 F CA -0.922 57.166 58.000 0.147 0.000 1.179 598 F CB 0.376 39.566 39.000 0.316 0.000 1.437 598 F HN 0.237 nan 8.300 nan 0.000 0.528 599 I N -0.024 120.607 120.570 0.102 0.000 3.205 599 I HA 0.975 5.147 4.170 0.003 0.000 0.310 599 I C -0.423 175.700 176.117 0.010 0.000 1.089 599 I CA -1.159 60.171 61.300 0.050 0.000 1.023 599 I CB 1.649 39.649 38.000 -0.000 0.000 1.269 599 I HN 0.327 nan 8.210 nan 0.000 0.512 600 A N 1.264 124.083 122.820 -0.002 0.000 2.355 600 A HA 0.377 4.699 4.320 0.003 0.000 0.324 600 A C -0.330 177.219 177.584 -0.058 0.000 1.117 600 A CA -0.628 51.380 52.037 -0.049 0.000 0.785 600 A CB 0.928 19.930 19.000 0.004 0.000 1.254 600 A HN 0.841 nan 8.150 nan 0.000 0.453 601 E N 1.276 121.355 120.200 -0.201 0.000 2.966 601 E HA -0.069 4.283 4.350 0.003 0.000 0.254 601 E C -0.265 176.367 176.600 0.054 0.000 0.923 601 E CA 0.514 56.794 56.400 -0.200 0.000 0.960 601 E CB 0.137 29.478 29.700 -0.599 0.000 0.901 601 E HN 0.605 nan 8.360 nan 0.000 0.525 602 E N 2.124 122.376 120.200 0.086 0.000 2.565 602 E HA -0.021 4.331 4.350 0.003 0.000 0.268 602 E C 1.106 177.867 176.600 0.267 0.000 1.000 602 E CA 1.222 57.705 56.400 0.139 0.000 0.964 602 E CB 0.180 29.933 29.700 0.089 0.000 0.955 602 E HN 0.809 nan 8.360 nan 0.000 0.459 603 G N 0.233 109.145 108.800 0.187 0.000 2.184 603 G HA2 -0.278 3.684 3.960 0.003 0.000 0.264 603 G HA3 -0.278 3.684 3.960 0.003 0.000 0.264 603 G C -0.372 174.598 174.900 0.117 0.000 0.975 603 G CA 0.380 45.560 45.100 0.134 0.000 0.642 603 G HN 0.437 nan 8.290 nan 0.000 0.536 604 W N -0.961 120.333 121.300 -0.010 0.000 3.399 604 W HA 0.869 5.530 4.660 0.003 0.000 0.413 604 W C 0.511 177.022 176.519 -0.013 0.000 1.376 604 W CA -0.897 56.441 57.345 -0.013 0.000 1.076 604 W CB 0.635 30.086 29.460 -0.014 0.000 2.141 604 W HN 0.102 nan 8.180 nan 0.000 0.660 605 L N 0.226 121.636 121.223 0.311 0.000 2.892 605 L HA 0.445 4.786 4.340 0.003 0.000 0.269 605 L C -1.375 175.573 176.870 0.131 0.000 1.058 605 L CA -1.088 53.846 54.840 0.156 0.000 0.923 605 L CB 1.824 43.938 42.059 0.091 0.000 1.518 605 L HN 0.091 nan 8.230 nan 0.000 0.402 606 L N 1.346 122.610 121.223 0.068 0.000 2.329 606 L HA 0.635 4.977 4.340 0.003 0.000 0.279 606 L C -1.001 175.876 176.870 0.010 0.000 1.014 606 L CA -0.858 53.992 54.840 0.018 0.000 0.814 606 L CB 2.123 44.174 42.059 -0.013 0.000 1.257 606 L HN 0.173 nan 8.230 nan 0.000 0.424 607 V N 2.697 122.601 119.914 -0.016 0.000 2.350 607 V HA 0.579 4.701 4.120 0.003 0.000 0.285 607 V C 0.066 176.134 176.094 -0.043 0.000 1.014 607 V CA -0.515 61.776 62.300 -0.015 0.000 0.831 607 V CB 1.499 33.318 31.823 -0.007 0.000 1.000 607 V HN 0.818 nan 8.190 nan 0.000 0.433 608 A N 6.498 129.311 122.820 -0.011 0.000 2.288 608 A HA 0.931 5.253 4.320 0.003 0.000 0.320 608 A C -0.978 176.608 177.584 0.004 0.000 1.217 608 A CA -0.408 51.633 52.037 0.007 0.000 0.840 608 A CB 0.653 19.716 19.000 0.105 0.000 1.179 608 A HN 0.758 nan 8.150 nan 0.000 0.504 609 L N 3.101 124.309 121.223 -0.025 0.000 2.372 609 L HA 0.414 4.756 4.340 0.003 0.000 0.273 609 L C -1.337 175.493 176.870 -0.067 0.000 0.989 609 L CA -0.363 54.441 54.840 -0.060 0.000 0.841 609 L CB 1.986 43.976 42.059 -0.115 0.000 1.225 609 L HN 0.487 nan 8.230 nan 0.000 0.414 610 D N 2.154 122.538 120.400 -0.026 0.000 2.349 610 D HA 0.233 4.875 4.640 0.003 0.000 0.232 610 D C -0.560 175.766 176.300 0.044 0.000 1.071 610 D CA -0.334 53.678 54.000 0.020 0.000 0.832 610 D CB 1.098 41.934 40.800 0.060 0.000 1.086 610 D HN 0.157 nan 8.370 nan 0.000 0.504 611 Y N 1.391 121.703 120.300 0.021 0.000 2.677 611 Y HA -0.010 4.541 4.550 0.002 0.000 0.335 611 Y C 1.306 177.204 175.900 -0.003 0.000 1.162 611 Y CA -0.055 58.048 58.100 0.004 0.000 1.483 611 Y CB 0.340 38.803 38.460 0.005 0.000 1.209 611 Y HN 0.173 nan 8.280 nan 0.000 0.528 612 S N 6.572 122.379 115.700 0.177 0.000 2.457 612 S HA 0.028 4.500 4.470 0.003 0.000 0.294 612 S C -0.075 174.543 174.600 0.030 0.000 1.201 612 S CA -0.541 57.710 58.200 0.086 0.000 1.112 612 S CB -0.519 62.715 63.200 0.057 0.000 1.018 612 S HN 0.735 nan 8.310 nan 0.000 0.511 613 Q N 2.741 122.570 119.800 0.050 0.000 2.423 613 Q HA -0.231 4.111 4.340 0.003 0.000 0.368 613 Q C 0.390 176.351 176.000 -0.065 0.000 1.371 613 Q CA 0.913 56.736 55.803 0.034 0.000 1.106 613 Q CB -1.922 26.894 28.738 0.130 0.000 1.263 613 Q HN 0.861 nan 8.270 nan 0.000 0.325 614 I N -0.278 120.251 120.570 -0.068 0.000 2.439 614 I HA -0.191 3.981 4.170 0.003 0.000 0.251 614 I C 2.125 178.162 176.117 -0.133 0.000 1.139 614 I CA 1.278 62.473 61.300 -0.174 0.000 1.438 614 I CB 0.124 37.982 38.000 -0.237 0.000 1.085 614 I HN 0.501 nan 8.210 nan 0.000 0.427 615 E N 0.402 120.572 120.200 -0.051 0.000 2.110 615 E HA -0.217 4.135 4.350 0.003 0.000 0.193 615 E C 2.232 178.845 176.600 0.023 0.000 0.988 615 E CA 1.253 57.647 56.400 -0.010 0.000 0.804 615 E CB -0.053 29.660 29.700 0.021 0.000 0.745 615 E HN 0.535 nan 8.360 nan 0.000 0.458 616 L N 0.354 121.621 121.223 0.072 0.000 2.005 616 L HA -0.179 4.163 4.340 0.003 0.000 0.207 616 L C 2.527 179.490 176.870 0.156 0.000 1.072 616 L CA 1.217 56.170 54.840 0.187 0.000 0.744 616 L CB -0.158 42.142 42.059 0.402 0.000 0.895 616 L HN 0.041 nan 8.230 nan 0.000 0.433 617 R N -1.023 119.394 120.500 -0.138 0.000 2.105 617 R HA -0.162 4.180 4.340 0.003 0.000 0.239 617 R C 2.134 178.378 176.300 -0.093 0.000 1.135 617 R CA 1.329 57.245 56.100 -0.306 0.000 0.967 617 R CB -0.807 29.121 30.300 -0.620 0.000 0.861 617 R HN 0.203 nan 8.270 nan 0.000 0.442 618 V N 1.808 121.653 119.914 -0.114 0.000 2.255 618 V HA -0.260 3.862 4.120 0.003 0.000 0.247 618 V C 2.303 178.338 176.094 -0.099 0.000 1.051 618 V CA 1.869 64.104 62.300 -0.108 0.000 1.018 618 V CB -0.530 31.230 31.823 -0.105 0.000 0.641 618 V HN 0.249 nan 8.190 nan 0.000 0.445 619 L N 0.821 121.990 121.223 -0.091 0.000 2.013 619 L HA -0.173 4.169 4.340 0.003 0.000 0.212 619 L C 2.435 179.213 176.870 -0.154 0.000 1.073 619 L CA 2.620 57.355 54.840 -0.175 0.000 0.753 619 L CB -1.169 40.861 42.059 -0.048 0.000 0.890 619 L HN 0.249 nan 8.230 nan 0.000 0.432 620 A N -0.872 121.949 122.820 0.003 0.000 1.852 620 A HA -0.403 3.919 4.320 0.003 0.000 0.217 620 A C 2.347 179.924 177.584 -0.012 0.000 1.215 620 A CA 2.296 54.359 52.037 0.044 0.000 0.641 620 A CB -1.511 17.632 19.000 0.238 0.000 0.838 620 A HN 0.791 nan 8.150 nan 0.000 0.450 621 H N -1.334 117.686 119.070 -0.083 0.000 2.353 621 H HA -0.139 4.419 4.556 0.002 0.000 0.298 621 H C 1.823 177.046 175.328 -0.176 0.000 1.103 621 H CA 1.905 57.892 56.048 -0.102 0.000 1.293 621 H CB -0.130 29.577 29.762 -0.093 0.000 1.372 621 H HN 0.312 nan 8.280 nan 0.000 0.501 622 L N 0.261 121.408 121.223 -0.127 0.000 2.005 622 L HA -0.162 4.180 4.340 0.003 0.000 0.207 622 L C 2.759 179.281 176.870 -0.580 0.000 1.072 622 L CA 2.020 56.622 54.840 -0.396 0.000 0.744 622 L CB -1.141 40.505 42.059 -0.688 0.000 0.895 622 L HN 0.535 nan 8.230 nan 0.000 0.433 623 S N -1.244 114.128 115.700 -0.546 0.000 2.335 623 S HA 0.088 4.560 4.470 0.003 0.000 0.216 623 S C 1.710 176.243 174.600 -0.112 0.000 1.032 623 S CA 1.008 59.026 58.200 -0.304 0.000 1.000 623 S CB -0.788 62.336 63.200 -0.127 0.000 0.928 623 S HN 0.605 nan 8.310 nan 0.000 0.434 624 G N 0.824 109.560 108.800 -0.107 0.000 2.211 624 G HA2 -0.191 3.771 3.960 0.003 0.000 0.201 624 G HA3 -0.191 3.771 3.960 0.003 0.000 0.201 624 G C -0.269 174.608 174.900 -0.038 0.000 0.997 624 G CA -0.024 45.030 45.100 -0.077 0.000 0.652 624 G HN 0.570 nan 8.290 nan 0.000 0.500 625 D N 1.319 121.711 120.400 -0.014 0.000 2.449 625 D HA 0.356 4.998 4.640 0.003 0.000 0.278 625 D C 1.684 177.971 176.300 -0.023 0.000 1.417 625 D CA 0.384 54.387 54.000 0.006 0.000 1.192 625 D CB 0.216 41.052 40.800 0.059 0.000 1.129 625 D HN 0.492 nan 8.370 nan 0.000 0.539 626 E N 1.124 121.305 120.200 -0.032 0.000 2.233 626 E HA -0.268 4.084 4.350 0.003 0.000 0.199 626 E C 1.475 178.038 176.600 -0.062 0.000 1.004 626 E CA 0.866 57.244 56.400 -0.037 0.000 0.819 626 E CB -0.095 29.588 29.700 -0.028 0.000 0.738 626 E HN 0.528 nan 8.360 nan 0.000 0.478 627 N N -0.392 118.247 118.700 -0.102 0.000 2.354 627 N HA -0.103 4.639 4.740 0.003 0.000 0.179 627 N C 1.436 176.810 175.510 -0.226 0.000 1.021 627 N CA 0.273 53.185 53.050 -0.231 0.000 0.887 627 N CB 0.106 38.351 38.487 -0.404 0.000 0.974 627 N HN 0.087 nan 8.380 nan 0.000 0.437 628 L N 2.173 123.350 121.223 -0.077 0.000 2.084 628 L HA 0.041 4.383 4.340 0.003 0.000 0.202 628 L C 2.179 178.923 176.870 -0.210 0.000 1.074 628 L CA 1.088 55.827 54.840 -0.168 0.000 0.757 628 L CB -1.041 40.900 42.059 -0.197 0.000 0.918 628 L HN 0.183 nan 8.230 nan 0.000 0.444 629 I N -1.757 118.775 120.570 -0.063 0.000 2.194 629 I HA -0.318 3.854 4.170 0.003 0.000 0.246 629 I C 2.691 178.824 176.117 0.028 0.000 1.093 629 I CA 1.896 63.221 61.300 0.042 0.000 1.355 629 I CB -1.162 36.860 38.000 0.037 0.000 1.046 629 I HN 0.195 nan 8.210 nan 0.000 0.413 630 R N 1.638 122.124 120.500 -0.023 0.000 2.096 630 R HA -0.094 4.248 4.340 0.003 0.000 0.240 630 R C 2.270 178.569 176.300 -0.001 0.000 1.139 630 R CA 2.449 58.550 56.100 0.002 0.000 0.952 630 R CB -2.218 28.080 30.300 -0.003 0.000 0.854 630 R HN 0.490 nan 8.270 nan 0.000 0.436 631 V N -0.079 119.774 119.914 -0.103 0.000 2.324 631 V HA -0.233 3.889 4.120 0.003 0.000 0.250 631 V C 2.426 178.476 176.094 -0.073 0.000 1.060 631 V CA 2.005 64.222 62.300 -0.138 0.000 1.042 631 V CB -0.734 30.884 31.823 -0.343 0.000 0.650 631 V HN 0.529 nan 8.190 nan 0.000 0.450 632 F N -0.103 119.847 119.950 0.001 0.000 2.234 632 F HA -0.029 4.500 4.527 0.003 0.000 0.296 632 F C 2.533 178.343 175.800 0.016 0.000 1.089 632 F CA 1.103 59.104 58.000 0.003 0.000 1.343 632 F CB -0.711 38.285 39.000 -0.008 0.000 1.040 632 F HN 0.134 nan 8.300 nan 0.000 0.498 633 Q N 0.122 120.042 119.800 0.200 0.000 2.083 633 Q HA -0.124 4.218 4.340 0.003 0.000 0.198 633 Q C 2.275 178.335 176.000 0.100 0.000 0.969 633 Q CA 1.617 57.496 55.803 0.126 0.000 0.838 633 Q CB -0.246 28.547 28.738 0.092 0.000 0.900 633 Q HN 0.497 nan 8.270 nan 0.000 0.436 634 E N 0.098 120.353 120.200 0.092 0.000 2.510 634 E HA 0.009 4.361 4.350 0.003 0.000 0.202 634 E C 1.074 177.725 176.600 0.085 0.000 1.072 634 E CA 0.694 57.142 56.400 0.081 0.000 0.883 634 E CB -1.286 28.464 29.700 0.084 0.000 0.818 634 E HN 0.591 nan 8.360 nan 0.000 0.548 635 G N 0.755 109.618 108.800 0.104 0.000 2.273 635 G HA2 -0.290 3.672 3.960 0.003 0.000 0.280 635 G HA3 -0.290 3.672 3.960 0.003 0.000 0.280 635 G C 0.313 175.271 174.900 0.098 0.000 1.047 635 G CA 0.409 45.571 45.100 0.103 0.000 0.869 635 G HN 0.512 nan 8.290 nan 0.000 0.502 636 R N 0.035 120.597 120.500 0.104 0.000 2.573 636 R HA 0.351 4.693 4.340 0.003 0.000 0.272 636 R C -0.346 176.001 176.300 0.080 0.000 1.009 636 R CA -0.916 55.236 56.100 0.085 0.000 1.059 636 R CB 0.822 31.174 30.300 0.086 0.000 1.112 636 R HN 0.285 nan 8.270 nan 0.000 0.517 637 D N 2.385 122.821 120.400 0.059 0.000 2.383 637 D HA 0.057 4.699 4.640 0.003 0.000 0.245 637 D C 1.726 178.018 176.300 -0.013 0.000 1.263 637 D CA 0.033 54.047 54.000 0.023 0.000 0.936 637 D CB 0.485 41.306 40.800 0.034 0.000 1.053 637 D HN 0.470 nan 8.370 nan 0.000 0.507 638 I N 4.377 124.897 120.570 -0.082 0.000 2.103 638 I HA -0.376 3.796 4.170 0.003 0.000 0.241 638 I C 2.021 178.148 176.117 0.017 0.000 1.036 638 I CA 2.300 63.514 61.300 -0.143 0.000 1.300 638 I CB -1.897 35.989 38.000 -0.190 0.000 1.010 638 I HN 0.747 nan 8.210 nan 0.000 0.406 639 H N -0.335 118.749 119.070 0.023 0.000 2.518 639 H HA -0.110 4.447 4.556 0.002 0.000 0.292 639 H C 2.298 177.665 175.328 0.064 0.000 1.068 639 H CA 1.249 57.301 56.048 0.006 0.000 1.275 639 H CB -0.146 29.601 29.762 -0.024 0.000 1.375 639 H HN 0.660 nan 8.280 nan 0.000 0.563 640 T N 0.063 114.716 114.554 0.166 0.000 2.925 640 T HA -0.063 4.289 4.350 0.003 0.000 0.245 640 T C 1.845 176.653 174.700 0.179 0.000 1.025 640 T CA 0.581 62.769 62.100 0.147 0.000 1.149 640 T CB 0.236 69.166 68.868 0.103 0.000 0.866 640 T HN 0.361 nan 8.240 nan 0.000 0.437 641 E N 1.192 121.504 120.200 0.186 0.000 2.072 641 E HA -0.068 4.284 4.350 0.003 0.000 0.191 641 E C 2.358 179.219 176.600 0.435 0.000 0.985 641 E CA 1.038 57.617 56.400 0.298 0.000 0.801 641 E CB -0.780 29.084 29.700 0.273 0.000 0.750 641 E HN 0.309 nan 8.360 nan 0.000 0.452 642 T N 1.430 116.180 114.554 0.326 0.000 2.720 642 T HA -0.155 4.197 4.350 0.003 0.000 0.268 642 T C 1.935 176.896 174.700 0.435 0.000 1.037 642 T CA 1.691 64.039 62.100 0.414 0.000 1.144 642 T CB -0.212 68.828 68.868 0.286 0.000 0.864 642 T HN 0.313 nan 8.240 nan 0.000 0.444 643 A N 1.048 124.086 122.820 0.363 0.000 1.902 643 A HA 0.056 4.378 4.320 0.003 0.000 0.217 643 A C 2.523 180.366 177.584 0.433 0.000 1.181 643 A CA 2.177 54.462 52.037 0.413 0.000 0.623 643 A CB -1.180 18.001 19.000 0.301 0.000 0.818 643 A HN 0.585 nan 8.150 nan 0.000 0.443 644 S N -2.590 113.297 115.700 0.312 0.000 2.603 644 S HA 0.020 4.492 4.470 0.003 0.000 0.229 644 S C 1.577 176.249 174.600 0.120 0.000 0.972 644 S CA 0.564 58.874 58.200 0.184 0.000 0.935 644 S CB -0.436 62.820 63.200 0.093 0.000 0.769 644 S HN 0.704 nan 8.310 nan 0.000 0.536 645 W N 0.275 121.632 121.300 0.096 0.000 3.103 645 W HA 0.139 4.802 4.660 0.005 0.000 0.258 645 W C 1.690 178.183 176.519 -0.042 0.000 1.001 645 W CA 0.386 57.722 57.345 -0.015 0.000 1.940 645 W CB -0.363 29.026 29.460 -0.117 0.000 1.116 645 W HN 0.274 nan 8.180 nan 0.000 0.600 646 M N -0.336 119.398 119.600 0.223 0.000 2.530 646 M HA -0.158 4.324 4.480 0.003 0.000 0.261 646 M C 1.227 177.394 176.300 -0.223 0.000 1.067 646 M CA 1.642 56.925 55.300 -0.027 0.000 1.071 646 M CB -0.700 31.872 32.600 -0.046 0.000 1.405 646 M HN -0.116 nan 8.290 nan 0.000 0.478 647 F N -0.189 119.782 119.950 0.034 0.000 2.731 647 F HA 0.315 4.848 4.527 0.010 0.000 0.298 647 F C 1.774 177.545 175.800 -0.049 0.000 1.106 647 F CA 0.272 58.264 58.000 -0.015 0.000 1.329 647 F CB 0.340 39.350 39.000 0.018 0.000 1.100 647 F HN 0.300 nan 8.300 nan 0.000 0.592 648 G N 1.751 110.594 108.800 0.072 0.000 2.296 648 G HA2 -0.302 3.660 3.960 0.003 0.000 0.282 648 G HA3 -0.302 3.660 3.960 0.003 0.000 0.282 648 G C 0.241 175.133 174.900 -0.013 0.000 1.014 648 G CA 0.482 45.563 45.100 -0.031 0.000 0.812 648 G HN 0.322 nan 8.290 nan 0.000 0.508 649 V N 0.715 120.650 119.914 0.035 0.000 2.572 649 V HA 0.520 4.642 4.120 0.003 0.000 0.291 649 V C -1.412 174.650 176.094 -0.053 0.000 1.039 649 V CA -1.736 60.566 62.300 0.002 0.000 1.055 649 V CB 0.814 32.638 31.823 0.003 0.000 0.969 649 V HN 0.137 nan 8.190 nan 0.000 0.482 650 P HA 0.304 nan 4.420 nan 0.000 0.254 650 P C 0.221 177.482 177.300 -0.065 0.000 1.186 650 P CA 1.691 64.752 63.100 -0.065 0.000 0.868 650 P CB -0.396 31.275 31.700 -0.049 0.000 0.856 651 R N 3.208 123.655 120.500 -0.088 0.000 3.847 651 R HA -0.237 4.105 4.340 0.003 0.000 0.489 651 R C 0.731 177.002 176.300 -0.049 0.000 0.241 651 R CA 1.592 57.648 56.100 -0.074 0.000 1.532 651 R CB -2.383 27.887 30.300 -0.050 0.000 1.049 651 R HN 0.543 nan 8.270 nan 0.000 0.543 652 E N 0.387 120.573 120.200 -0.024 0.000 2.320 652 E HA 0.532 4.884 4.350 0.003 0.000 0.189 652 E C 0.628 177.224 176.600 -0.006 0.000 1.100 652 E CA 0.554 56.955 56.400 0.002 0.000 1.009 652 E CB 0.396 30.113 29.700 0.028 0.000 1.145 652 E HN 1.029 nan 8.360 nan 0.000 0.454 653 A N 0.552 123.359 122.820 -0.023 0.000 2.279 653 A HA 0.614 4.935 4.320 0.003 0.000 0.303 653 A C 1.132 178.690 177.584 -0.043 0.000 1.108 653 A CA -0.202 51.820 52.037 -0.026 0.000 0.830 653 A CB 0.328 19.313 19.000 -0.025 0.000 1.106 653 A HN 0.746 nan 8.150 nan 0.000 0.493 654 V N 0.663 120.553 119.914 -0.040 0.000 5.479 654 V HA -0.179 3.942 4.120 0.003 0.000 0.289 654 V C -0.046 175.997 176.094 -0.086 0.000 0.595 654 V CA 2.026 64.295 62.300 -0.053 0.000 0.649 654 V CB -2.122 29.671 31.823 -0.051 0.000 0.390 654 V HN 0.806 nan 8.190 nan 0.000 0.974 655 D N 0.410 120.760 120.400 -0.083 0.000 2.861 655 D HA 0.357 4.999 4.640 0.003 0.000 0.357 655 D C -1.766 174.491 176.300 -0.072 0.000 1.250 655 D CA -0.457 53.466 54.000 -0.129 0.000 0.802 655 D CB 0.931 41.632 40.800 -0.164 0.000 1.141 655 D HN 0.469 nan 8.370 nan 0.000 0.489 656 P HA -0.129 nan 4.420 nan 0.000 0.215 656 P C 1.560 178.851 177.300 -0.014 0.000 1.157 656 P CA 0.478 63.566 63.100 -0.020 0.000 0.874 656 P CB 0.527 32.217 31.700 -0.016 0.000 0.790 657 L N -2.250 118.958 121.223 -0.026 0.000 2.270 657 L HA 0.090 4.432 4.340 0.003 0.000 0.210 657 L C 2.268 179.144 176.870 0.010 0.000 1.104 657 L CA 1.349 56.184 54.840 -0.008 0.000 0.804 657 L CB -0.835 41.223 42.059 -0.003 0.000 0.937 657 L HN -0.126 nan 8.230 nan 0.000 0.450 658 M N -1.807 117.779 119.600 -0.024 0.000 2.549 658 M HA -0.098 4.384 4.480 0.003 0.000 0.260 658 M C 1.962 178.343 176.300 0.136 0.000 1.076 658 M CA 0.964 56.295 55.300 0.052 0.000 1.090 658 M CB -0.121 32.300 32.600 -0.298 0.000 1.418 658 M HN 0.033 nan 8.290 nan 0.000 0.486 659 R N -0.005 120.534 120.500 0.065 0.000 2.189 659 R HA 0.099 4.441 4.340 0.003 0.000 0.203 659 R C 1.997 178.309 176.300 0.020 0.000 1.012 659 R CA 0.572 56.717 56.100 0.076 0.000 1.015 659 R CB -0.064 30.280 30.300 0.074 0.000 0.938 659 R HN 0.343 nan 8.270 nan 0.000 0.472 660 R N 0.173 120.674 120.500 0.001 0.000 2.148 660 R HA -0.027 4.315 4.340 0.003 0.000 0.227 660 R C 1.784 178.028 176.300 -0.094 0.000 1.103 660 R CA 1.147 57.221 56.100 -0.042 0.000 0.983 660 R CB 0.046 30.330 30.300 -0.027 0.000 0.874 660 R HN 0.128 nan 8.270 nan 0.000 0.451 661 A N 0.922 123.711 122.820 -0.051 0.000 1.821 661 A HA -0.044 4.278 4.320 0.003 0.000 0.215 661 A C 2.328 179.826 177.584 -0.143 0.000 1.214 661 A CA 1.407 53.385 52.037 -0.098 0.000 0.608 661 A CB -1.202 17.824 19.000 0.042 0.000 0.862 661 A HN 0.415 nan 8.150 nan 0.000 0.448 662 A N -0.310 122.498 122.820 -0.020 0.000 1.969 662 A HA -0.364 3.958 4.320 0.003 0.000 0.223 662 A C 2.072 179.443 177.584 -0.355 0.000 1.218 662 A CA 2.753 54.763 52.037 -0.045 0.000 0.667 662 A CB -0.745 18.318 19.000 0.105 0.000 0.826 662 A HN 0.589 nan 8.150 nan 0.000 0.472 663 K N -1.440 118.610 120.400 -0.583 0.000 1.987 663 K HA -0.157 4.165 4.320 0.003 0.000 0.216 663 K C 2.204 178.144 176.600 -1.101 0.000 1.051 663 K CA 2.279 57.821 56.287 -1.242 0.000 0.942 663 K CB -0.499 31.473 32.500 -0.880 0.000 0.722 663 K HN 0.599 nan 8.250 nan 0.000 0.444 664 T N 1.657 115.887 114.554 -0.541 0.000 2.788 664 T HA -0.105 4.247 4.350 0.003 0.000 0.268 664 T C 1.798 176.274 174.700 -0.373 0.000 1.044 664 T CA 1.295 63.194 62.100 -0.335 0.000 1.139 664 T CB -0.225 68.510 68.868 -0.222 0.000 0.867 664 T HN 0.127 nan 8.240 nan 0.000 0.454 665 I N 1.993 122.312 120.570 -0.419 0.000 2.127 665 I HA -0.192 3.980 4.170 0.003 0.000 0.241 665 I C 2.447 178.208 176.117 -0.594 0.000 1.075 665 I CA 1.340 62.324 61.300 -0.527 0.000 1.334 665 I CB -0.943 36.742 38.000 -0.526 0.000 1.040 665 I HN 0.297 nan 8.210 nan 0.000 0.405 666 N N 1.232 119.645 118.700 -0.479 0.000 2.039 666 N HA -0.166 4.576 4.740 0.003 0.000 0.193 666 N C 1.668 177.103 175.510 -0.125 0.000 1.044 666 N CA 1.457 54.333 53.050 -0.291 0.000 0.847 666 N CB -0.332 38.004 38.487 -0.252 0.000 1.030 666 N HN 0.219 nan 8.380 nan 0.000 0.422 667 F N 0.940 120.748 119.950 -0.236 0.000 2.722 667 F HA 0.093 4.623 4.527 0.005 0.000 0.298 667 F C 2.203 177.669 175.800 -0.557 0.000 1.175 667 F CA -0.157 57.668 58.000 -0.292 0.000 1.462 667 F CB -1.253 37.626 39.000 -0.202 0.000 1.111 667 F HN 0.010 nan 8.300 nan 0.000 0.592 668 G N -0.111 108.489 108.800 -0.334 0.000 2.615 668 G HA2 -0.035 3.927 3.960 0.003 0.000 0.213 668 G HA3 -0.035 3.927 3.960 0.003 0.000 0.213 668 G C 1.724 176.423 174.900 -0.335 0.000 1.215 668 G CA 0.557 45.406 45.100 -0.418 0.000 0.843 668 G HN 0.109 nan 8.290 nan 0.000 0.571 669 V N 1.548 121.300 119.914 -0.269 0.000 2.428 669 V HA -0.242 3.880 4.120 0.003 0.000 0.255 669 V C 2.912 179.096 176.094 0.150 0.000 1.080 669 V CA 1.612 63.862 62.300 -0.083 0.000 1.083 669 V CB -0.625 31.091 31.823 -0.179 0.000 0.665 669 V HN 0.314 nan 8.190 nan 0.000 0.461 670 L N -0.695 120.547 121.223 0.030 0.000 2.081 670 L HA -0.208 4.134 4.340 0.003 0.000 0.212 670 L C 1.901 178.928 176.870 0.261 0.000 1.080 670 L CA 2.222 57.147 54.840 0.141 0.000 0.754 670 L CB -0.260 41.811 42.059 0.020 0.000 0.893 670 L HN 0.761 nan 8.230 nan 0.000 0.433 671 Y N -3.327 117.096 120.300 0.205 0.000 2.742 671 Y HA 0.540 5.092 4.550 0.005 0.000 0.248 671 Y C 0.798 176.804 175.900 0.176 0.000 1.132 671 Y CA -0.528 57.554 58.100 -0.029 0.000 1.142 671 Y CB -0.375 38.027 38.460 -0.098 0.000 1.222 671 Y HN -0.065 nan 8.280 nan 0.000 0.575 672 G N 2.695 111.881 108.800 0.642 0.000 2.354 672 G HA2 -0.334 3.628 3.960 0.003 0.000 0.278 672 G HA3 -0.334 3.628 3.960 0.003 0.000 0.278 672 G C -0.258 174.854 174.900 0.353 0.000 0.953 672 G CA 0.299 45.718 45.100 0.532 0.000 1.346 672 G HN 0.629 nan 8.290 nan 0.000 0.467 673 M N 1.587 121.312 119.600 0.208 0.000 2.188 673 M HA 0.310 4.792 4.480 0.003 0.000 0.354 673 M C 0.809 177.163 176.300 0.091 0.000 1.342 673 M CA -0.236 55.177 55.300 0.189 0.000 1.117 673 M CB 0.375 33.033 32.600 0.097 0.000 1.670 673 M HN 0.396 nan 8.290 nan 0.000 0.466 674 S N 3.828 119.584 115.700 0.092 0.000 2.576 674 S HA 0.229 4.701 4.470 0.003 0.000 0.276 674 S C 1.209 175.779 174.600 -0.050 0.000 1.339 674 S CA -0.213 58.012 58.200 0.043 0.000 1.039 674 S CB 1.422 64.663 63.200 0.068 0.000 0.902 674 S HN 0.841 nan 8.310 nan 0.000 0.516 675 A N 1.708 124.456 122.820 -0.121 0.000 1.958 675 A HA -0.253 4.069 4.320 0.003 0.000 0.221 675 A C 1.890 179.264 177.584 -0.350 0.000 1.178 675 A CA 2.424 54.319 52.037 -0.238 0.000 0.642 675 A CB -1.183 17.643 19.000 -0.291 0.000 0.816 675 A HN 1.022 nan 8.150 nan 0.000 0.453 676 H N 0.216 118.963 119.070 -0.539 0.000 2.293 676 H HA -0.087 4.471 4.556 0.004 0.000 0.300 676 H C 2.157 177.391 175.328 -0.156 0.000 1.082 676 H CA 2.126 57.944 56.048 -0.384 0.000 1.308 676 H CB -0.135 29.500 29.762 -0.212 0.000 1.375 676 H HN 0.494 nan 8.280 nan 0.000 0.495 677 R N -0.161 120.282 120.500 -0.094 0.000 2.249 677 R HA -0.095 4.247 4.340 0.003 0.000 0.230 677 R C 2.049 178.271 176.300 -0.129 0.000 1.121 677 R CA 1.223 57.269 56.100 -0.089 0.000 0.997 677 R CB -0.389 29.928 30.300 0.029 0.000 0.867 677 R HN 0.339 nan 8.270 nan 0.000 0.465 678 L N 0.869 121.997 121.223 -0.159 0.000 2.202 678 L HA -0.016 4.326 4.340 0.003 0.000 0.205 678 L C 2.015 178.772 176.870 -0.189 0.000 1.083 678 L CA 1.251 55.989 54.840 -0.169 0.000 0.790 678 L CB 0.027 41.974 42.059 -0.185 0.000 0.942 678 L HN 0.027 nan 8.230 nan 0.000 0.452 679 S N -0.911 114.658 115.700 -0.219 0.000 2.345 679 S HA -0.258 4.214 4.470 0.003 0.000 0.220 679 S C 1.824 176.314 174.600 -0.183 0.000 1.031 679 S CA 1.304 59.395 58.200 -0.181 0.000 0.996 679 S CB -0.578 62.519 63.200 -0.172 0.000 0.882 679 S HN 0.524 nan 8.310 nan 0.000 0.445 680 Q N 1.406 121.041 119.800 -0.275 0.000 1.975 680 Q HA -0.176 4.166 4.340 0.003 0.000 0.205 680 Q C 2.154 178.086 176.000 -0.115 0.000 0.990 680 Q CA 1.519 57.202 55.803 -0.199 0.000 0.845 680 Q CB -0.180 28.419 28.738 -0.231 0.000 0.913 680 Q HN 0.405 nan 8.270 nan 0.000 0.420 681 E N 0.294 120.428 120.200 -0.109 0.000 1.964 681 E HA -0.162 4.190 4.350 0.003 0.000 0.209 681 E C 0.547 177.099 176.600 -0.079 0.000 0.988 681 E CA 0.563 56.919 56.400 -0.072 0.000 0.875 681 E CB -0.727 28.935 29.700 -0.063 0.000 0.813 681 E HN 0.376 nan 8.360 nan 0.000 0.533 682 L N 1.323 122.481 121.223 -0.108 0.000 2.453 682 L HA 0.101 4.443 4.340 0.003 0.000 0.272 682 L C -0.401 176.408 176.870 -0.103 0.000 1.182 682 L CA 0.054 54.823 54.840 -0.118 0.000 0.858 682 L CB 0.715 42.662 42.059 -0.187 0.000 1.120 682 L HN 0.108 nan 8.230 nan 0.000 0.474 683 A N 7.881 130.661 122.820 -0.068 0.000 2.541 683 A HA 0.452 4.774 4.320 0.003 0.000 0.293 683 A C -0.089 177.480 177.584 -0.024 0.000 1.307 683 A CA -0.117 51.898 52.037 -0.037 0.000 0.978 683 A CB -0.968 18.024 19.000 -0.013 0.000 1.111 683 A HN 0.691 nan 8.150 nan 0.000 0.535 684 I N -0.548 120.008 120.570 -0.023 0.000 3.021 684 I HA 0.662 4.834 4.170 0.003 0.000 0.305 684 I C -3.018 173.125 176.117 0.043 0.000 1.434 684 I CA -2.479 58.835 61.300 0.025 0.000 0.969 684 I CB 2.367 40.371 38.000 0.008 0.000 1.328 684 I HN 0.237 nan 8.210 nan 0.000 0.486 685 P HA 0.158 nan 4.420 nan 0.000 0.282 685 P C -0.880 176.536 177.300 0.193 0.000 1.259 685 P CA -0.216 62.962 63.100 0.131 0.000 0.826 685 P CB 0.644 32.421 31.700 0.128 0.000 1.064 686 Y N 0.657 121.009 120.300 0.087 0.000 3.127 686 Y HA 0.237 4.789 4.550 0.004 0.000 0.387 686 Y C 1.376 177.330 175.900 0.091 0.000 1.029 686 Y CA 0.765 58.928 58.100 0.105 0.000 1.905 686 Y CB -1.454 37.088 38.460 0.137 0.000 2.007 686 Y HN 0.587 nan 8.280 nan 0.000 0.435 687 E N -1.049 119.341 120.200 0.316 0.000 2.614 687 E HA 0.171 4.523 4.350 0.003 0.000 0.201 687 E C 1.412 178.123 176.600 0.185 0.000 0.889 687 E CA 0.677 57.206 56.400 0.214 0.000 1.564 687 E CB -0.378 29.405 29.700 0.138 0.000 1.623 687 E HN 0.386 nan 8.360 nan 0.000 0.898 688 E N 0.205 120.528 120.200 0.205 0.000 2.216 688 E HA 0.555 4.907 4.350 0.003 0.000 0.192 688 E C 2.323 179.148 176.600 0.375 0.000 0.973 688 E CA 1.329 57.878 56.400 0.249 0.000 0.851 688 E CB -0.348 29.533 29.700 0.302 0.000 0.804 688 E HN 0.907 nan 8.360 nan 0.000 0.477 689 A N 0.508 123.475 122.820 0.246 0.000 2.015 689 A HA -0.168 4.154 4.320 0.003 0.000 0.219 689 A C 2.238 179.906 177.584 0.140 0.000 1.163 689 A CA 1.620 53.738 52.037 0.134 0.000 0.646 689 A CB -0.195 18.768 19.000 -0.062 0.000 0.806 689 A HN 0.510 nan 8.150 nan 0.000 0.448 690 Q N -0.870 119.040 119.800 0.184 0.000 2.096 690 Q HA 0.028 4.370 4.340 0.003 0.000 0.197 690 Q C 2.439 178.532 176.000 0.154 0.000 0.964 690 Q CA 1.097 57.014 55.803 0.189 0.000 0.838 690 Q CB -0.266 28.623 28.738 0.251 0.000 0.906 690 Q HN 0.662 nan 8.270 nan 0.000 0.444 691 A N 0.293 123.188 122.820 0.125 0.000 1.897 691 A HA -0.130 4.192 4.320 0.003 0.000 0.215 691 A C 1.775 179.357 177.584 -0.003 0.000 1.181 691 A CA 0.833 52.888 52.037 0.030 0.000 0.620 691 A CB -0.744 18.224 19.000 -0.053 0.000 0.821 691 A HN 0.278 nan 8.150 nan 0.000 0.443 692 F N 0.359 120.296 119.950 -0.021 0.000 2.065 692 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 692 F C 2.239 178.028 175.800 -0.019 0.000 1.112 692 F CA 1.846 59.810 58.000 -0.060 0.000 1.212 692 F CB -0.274 38.678 39.000 -0.081 0.000 0.975 692 F HN 0.129 nan 8.300 nan 0.000 0.476 693 I N -0.320 120.363 120.570 0.188 0.000 2.248 693 I HA -0.284 3.888 4.170 0.003 0.000 0.248 693 I C 2.191 178.437 176.117 0.215 0.000 1.107 693 I CA 1.238 62.603 61.300 0.109 0.000 1.373 693 I CB -0.410 37.664 38.000 0.125 0.000 1.055 693 I HN 0.200 nan 8.210 nan 0.000 0.418 694 E N 0.699 121.019 120.200 0.201 0.000 2.051 694 E HA -0.126 4.226 4.350 0.003 0.000 0.189 694 E C 2.535 179.227 176.600 0.153 0.000 0.979 694 E CA 1.392 57.920 56.400 0.213 0.000 0.803 694 E CB -0.568 29.208 29.700 0.127 0.000 0.761 694 E HN 0.459 nan 8.360 nan 0.000 0.451 695 R N 0.732 121.262 120.500 0.050 0.000 2.105 695 R HA -0.182 4.160 4.340 0.003 0.000 0.239 695 R C 2.188 178.507 176.300 0.031 0.000 1.135 695 R CA 1.879 57.965 56.100 -0.023 0.000 0.967 695 R CB -1.903 28.289 30.300 -0.180 0.000 0.861 695 R HN 0.388 nan 8.270 nan 0.000 0.442 696 Y N -0.373 119.911 120.300 -0.027 0.000 2.181 696 Y HA -0.076 4.475 4.550 0.001 0.000 0.288 696 Y C 1.984 177.901 175.900 0.029 0.000 1.146 696 Y CA 1.729 59.831 58.100 0.003 0.000 1.164 696 Y CB -0.162 38.263 38.460 -0.059 0.000 0.982 696 Y HN 0.218 nan 8.280 nan 0.000 0.515 697 F N 0.659 120.724 119.950 0.192 0.000 2.259 697 F HA -0.107 4.423 4.527 0.005 0.000 0.298 697 F C 2.510 178.262 175.800 -0.080 0.000 1.088 697 F CA 1.372 59.421 58.000 0.081 0.000 1.358 697 F CB -0.905 38.181 39.000 0.144 0.000 1.040 697 F HN 0.111 nan 8.300 nan 0.000 0.505 698 Q N 0.001 119.857 119.800 0.093 0.000 2.112 698 Q HA -0.200 4.142 4.340 0.003 0.000 0.206 698 Q C 2.311 178.217 176.000 -0.157 0.000 0.987 698 Q CA 2.494 58.290 55.803 -0.012 0.000 0.858 698 Q CB -0.069 28.660 28.738 -0.015 0.000 0.905 698 Q HN 0.416 nan 8.270 nan 0.000 0.420 699 S N -0.638 114.830 115.700 -0.386 0.000 2.377 699 S HA -0.039 4.433 4.470 0.003 0.000 0.223 699 S C 0.358 174.322 174.600 -1.061 0.000 1.030 699 S CA 0.549 58.229 58.200 -0.865 0.000 0.970 699 S CB -0.012 62.324 63.200 -1.440 0.000 0.830 699 S HN 0.270 nan 8.310 nan 0.000 0.473 700 F N 2.814 122.569 119.950 -0.326 0.000 2.371 700 F HA 0.428 4.955 4.527 -0.001 0.000 0.343 700 F C -1.847 173.982 175.800 0.049 0.000 1.150 700 F CA -2.484 55.368 58.000 -0.245 0.000 1.220 700 F CB 1.088 39.806 39.000 -0.469 0.000 1.475 700 F HN 0.013 nan 8.300 nan 0.000 0.521 701 P HA -0.186 nan 4.420 nan 0.000 0.212 701 P C 1.166 178.529 177.300 0.106 0.000 1.180 701 P CA 1.565 64.725 63.100 0.100 0.000 0.902 701 P CB 0.307 32.017 31.700 0.017 0.000 0.778 702 K N -0.272 120.184 120.400 0.094 0.000 2.228 702 K HA -0.104 4.218 4.320 0.003 0.000 0.205 702 K C 2.157 178.873 176.600 0.194 0.000 1.045 702 K CA 1.045 57.397 56.287 0.107 0.000 0.931 702 K CB -1.003 31.541 32.500 0.074 0.000 0.727 702 K HN 0.047 nan 8.250 nan 0.000 0.458 703 V N 1.279 121.346 119.914 0.255 0.000 2.220 703 V HA -0.287 3.835 4.120 0.003 0.000 0.246 703 V C 2.543 178.853 176.094 0.361 0.000 1.049 703 V CA 1.821 64.343 62.300 0.371 0.000 1.003 703 V CB -0.453 31.650 31.823 0.467 0.000 0.634 703 V HN 0.339 nan 8.190 nan 0.000 0.444 704 R N -0.375 120.278 120.500 0.255 0.000 2.115 704 R HA -0.273 4.069 4.340 0.003 0.000 0.239 704 R C 2.335 178.552 176.300 -0.138 0.000 1.133 704 R CA 2.146 58.078 56.100 -0.279 0.000 0.935 704 R CB -0.743 28.979 30.300 -0.963 0.000 0.853 704 R HN 0.541 nan 8.270 nan 0.000 0.433 705 A N 0.242 123.024 122.820 -0.065 0.000 1.869 705 A HA -0.276 4.046 4.320 0.003 0.000 0.218 705 A C 1.962 179.550 177.584 0.005 0.000 1.203 705 A CA 1.832 53.849 52.037 -0.033 0.000 0.638 705 A CB -1.450 17.560 19.000 0.016 0.000 0.831 705 A HN 0.775 nan 8.150 nan 0.000 0.450 706 W N 0.633 121.909 121.300 -0.040 0.000 2.325 706 W HA -0.204 4.458 4.660 0.004 0.000 0.299 706 W C 1.866 178.360 176.519 -0.042 0.000 1.215 706 W CA 1.934 59.266 57.345 -0.022 0.000 1.244 706 W CB -0.308 29.160 29.460 0.013 0.000 1.140 706 W HN 0.349 nan 8.180 nan 0.000 0.523 707 I N 0.382 120.838 120.570 -0.190 0.000 2.099 707 I HA -0.336 3.836 4.170 0.003 0.000 0.239 707 I C 2.226 178.061 176.117 -0.470 0.000 1.066 707 I CA 2.136 63.152 61.300 -0.473 0.000 1.324 707 I CB -0.739 37.043 38.000 -0.363 0.000 1.037 707 I HN -0.026 nan 8.210 nan 0.000 0.401 708 E N 0.801 120.815 120.200 -0.311 0.000 2.150 708 E HA -0.202 4.150 4.350 0.003 0.000 0.193 708 E C 2.378 178.835 176.600 -0.238 0.000 0.985 708 E CA 1.716 57.969 56.400 -0.244 0.000 0.814 708 E CB -0.136 29.454 29.700 -0.184 0.000 0.752 708 E HN 0.441 nan 8.360 nan 0.000 0.466 709 K N 0.574 120.818 120.400 -0.260 0.000 1.965 709 K HA -0.207 4.115 4.320 0.003 0.000 0.218 709 K C 2.308 178.739 176.600 -0.281 0.000 1.048 709 K CA 2.240 58.394 56.287 -0.222 0.000 0.960 709 K CB -2.066 30.329 32.500 -0.175 0.000 0.732 709 K HN 0.353 nan 8.250 nan 0.000 0.444 710 T N 0.636 114.903 114.554 -0.477 0.000 2.624 710 T HA -0.236 4.116 4.350 0.003 0.000 0.268 710 T C 2.014 176.547 174.700 -0.278 0.000 1.041 710 T CA 1.620 63.465 62.100 -0.426 0.000 1.159 710 T CB -0.595 67.832 68.868 -0.736 0.000 0.863 710 T HN 0.194 nan 8.240 nan 0.000 0.434 711 L N 1.720 122.772 121.223 -0.285 0.000 1.991 711 L HA -0.157 4.185 4.340 0.003 0.000 0.221 711 L C 2.794 179.586 176.870 -0.130 0.000 1.079 711 L CA 1.956 56.700 54.840 -0.160 0.000 0.778 711 L CB -1.088 40.878 42.059 -0.155 0.000 0.893 711 L HN 0.360 nan 8.230 nan 0.000 0.437 712 E N -0.230 119.885 120.200 -0.141 0.000 2.007 712 E HA -0.322 4.030 4.350 0.003 0.000 0.203 712 E C 2.109 178.639 176.600 -0.118 0.000 1.020 712 E CA 2.059 58.392 56.400 -0.112 0.000 0.845 712 E CB -0.186 29.449 29.700 -0.108 0.000 0.779 712 E HN 0.559 nan 8.360 nan 0.000 0.466 713 E N 0.281 120.401 120.200 -0.134 0.000 2.233 713 E HA -0.274 4.078 4.350 0.003 0.000 0.210 713 E C 2.144 178.634 176.600 -0.183 0.000 1.046 713 E CA 2.254 58.566 56.400 -0.146 0.000 0.844 713 E CB -1.864 27.752 29.700 -0.139 0.000 0.741 713 E HN 0.579 nan 8.360 nan 0.000 0.465 714 G N 0.860 109.563 108.800 -0.160 0.000 2.491 714 G HA2 -0.340 3.622 3.960 0.003 0.000 0.218 714 G HA3 -0.340 3.622 3.960 0.003 0.000 0.218 714 G C 1.980 176.801 174.900 -0.131 0.000 1.180 714 G CA 1.316 46.326 45.100 -0.150 0.000 0.774 714 G HN 0.630 nan 8.290 nan 0.000 0.562 715 R N 0.308 120.753 120.500 -0.091 0.000 2.096 715 R HA 0.038 4.380 4.340 0.003 0.000 0.235 715 R C 2.958 179.214 176.300 -0.073 0.000 1.127 715 R CA 1.477 57.540 56.100 -0.062 0.000 0.968 715 R CB -0.624 29.648 30.300 -0.047 0.000 0.861 715 R HN 0.386 nan 8.270 nan 0.000 0.440 716 R N 1.935 122.377 120.500 -0.098 0.000 2.062 716 R HA -0.048 4.294 4.340 0.003 0.000 0.231 716 R C 2.212 178.440 176.300 -0.120 0.000 1.136 716 R CA 1.703 57.747 56.100 -0.093 0.000 0.948 716 R CB -1.041 29.202 30.300 -0.094 0.000 0.845 716 R HN 0.308 nan 8.270 nan 0.000 0.430 717 R N -1.947 118.417 120.500 -0.228 0.000 2.075 717 R HA 0.125 4.466 4.340 0.003 0.000 0.226 717 R C 1.619 177.757 176.300 -0.270 0.000 1.114 717 R CA 1.185 57.060 56.100 -0.375 0.000 0.972 717 R CB 0.244 30.020 30.300 -0.873 0.000 0.869 717 R HN 0.691 nan 8.270 nan 0.000 0.437 718 G N -0.898 107.769 108.800 -0.222 0.000 2.184 718 G HA2 -0.237 3.725 3.960 0.003 0.000 0.206 718 G HA3 -0.237 3.725 3.960 0.003 0.000 0.206 718 G C -0.243 174.738 174.900 0.135 0.000 0.995 718 G CA 0.179 45.309 45.100 0.050 0.000 0.651 718 G HN 0.398 nan 8.290 nan 0.000 0.511 719 Y N -1.343 118.910 120.300 -0.079 0.000 2.689 719 Y HA 0.810 5.362 4.550 0.003 0.000 0.333 719 Y C -0.327 175.467 175.900 -0.177 0.000 1.190 719 Y CA -1.563 56.359 58.100 -0.295 0.000 1.063 719 Y CB 1.023 38.950 38.460 -0.888 0.000 1.294 719 Y HN 0.854 nan 8.280 nan 0.000 0.466 720 V N -1.387 118.623 119.914 0.161 0.000 3.078 720 V HA 0.908 5.030 4.120 0.003 0.000 0.311 720 V C -1.062 175.123 176.094 0.152 0.000 1.138 720 V CA -1.144 61.233 62.300 0.129 0.000 1.007 720 V CB 1.682 33.541 31.823 0.060 0.000 1.045 720 V HN 1.007 nan 8.190 nan 0.000 0.432 721 E N 0.730 121.018 120.200 0.147 0.000 2.431 721 E HA 0.760 5.112 4.350 0.003 0.000 0.268 721 E C -0.713 175.958 176.600 0.117 0.000 0.953 721 E CA -0.856 55.604 56.400 0.099 0.000 0.810 721 E CB 1.804 31.553 29.700 0.082 0.000 1.369 721 E HN 0.898 nan 8.360 nan 0.000 0.440 722 T N -2.023 112.581 114.554 0.082 0.000 2.922 722 T HA 0.316 4.668 4.350 0.003 0.000 0.281 722 T C 1.047 175.726 174.700 -0.034 0.000 1.005 722 T CA -0.897 61.240 62.100 0.062 0.000 0.982 722 T CB 0.559 69.484 68.868 0.095 0.000 1.158 722 T HN 0.460 nan 8.240 nan 0.000 0.566 723 L N -0.765 120.334 121.223 -0.207 0.000 2.127 723 L HA 0.006 4.348 4.340 0.003 0.000 0.211 723 L C 1.596 178.105 176.870 -0.602 0.000 1.089 723 L CA 1.553 56.114 54.840 -0.465 0.000 0.757 723 L CB -0.337 41.255 42.059 -0.778 0.000 0.899 723 L HN 0.636 nan 8.230 nan 0.000 0.434 724 F N -1.138 118.764 119.950 -0.079 0.000 2.727 724 F HA 0.278 4.807 4.527 0.003 0.000 0.302 724 F C 1.671 177.472 175.800 0.002 0.000 1.097 724 F CA 0.593 58.546 58.000 -0.077 0.000 1.330 724 F CB 0.291 39.305 39.000 0.022 0.000 1.084 724 F HN 0.094 nan 8.300 nan 0.000 0.578 725 G N 0.505 109.370 108.800 0.109 0.000 2.184 725 G HA2 -0.240 3.722 3.960 0.003 0.000 0.206 725 G HA3 -0.240 3.722 3.960 0.003 0.000 0.206 725 G C 0.403 175.328 174.900 0.042 0.000 0.995 725 G CA -0.594 44.549 45.100 0.071 0.000 0.651 725 G HN 0.260 nan 8.290 nan 0.000 0.511 726 R N 1.302 121.850 120.500 0.080 0.000 2.449 726 R HA 0.394 4.735 4.340 0.003 0.000 0.296 726 R C 0.855 177.129 176.300 -0.043 0.000 1.047 726 R CA 0.008 56.120 56.100 0.021 0.000 1.018 726 R CB 0.222 30.562 30.300 0.066 0.000 0.962 726 R HN 0.606 nan 8.270 nan 0.000 0.428 727 R N 3.510 123.921 120.500 -0.148 0.000 2.778 727 R HA 0.469 4.811 4.340 0.003 0.000 0.277 727 R C -0.966 175.207 176.300 -0.213 0.000 0.977 727 R CA -0.978 54.991 56.100 -0.218 0.000 0.950 727 R CB 1.768 31.741 30.300 -0.544 0.000 1.165 727 R HN 0.485 nan 8.270 nan 0.000 0.474 728 R N 2.993 123.403 120.500 -0.150 0.000 2.483 728 R HA 0.213 4.555 4.340 0.003 0.000 0.303 728 R C -1.406 174.863 176.300 -0.052 0.000 0.987 728 R CA -0.622 55.431 56.100 -0.078 0.000 0.881 728 R CB 1.014 31.305 30.300 -0.015 0.000 1.177 728 R HN 0.710 nan 8.270 nan 0.000 0.451 729 Y N 2.547 122.894 120.300 0.078 0.000 2.497 729 Y HA 0.124 4.676 4.550 0.004 0.000 0.334 729 Y C 0.442 176.383 175.900 0.069 0.000 1.199 729 Y CA 0.221 58.388 58.100 0.112 0.000 1.425 729 Y CB 1.340 39.852 38.460 0.087 0.000 1.291 729 Y HN 0.248 nan 8.280 nan 0.000 0.562 730 V N 4.762 124.805 119.914 0.216 0.000 2.465 730 V HA 0.135 4.257 4.120 0.003 0.000 0.263 730 V C -1.919 174.239 176.094 0.107 0.000 0.981 730 V CA -1.281 61.092 62.300 0.122 0.000 0.838 730 V CB 0.861 32.727 31.823 0.071 0.000 1.068 730 V HN 0.691 nan 8.190 nan 0.000 0.458 731 P HA -0.113 nan 4.420 nan 0.000 0.216 731 P C 0.493 177.817 177.300 0.041 0.000 1.150 731 P CA 1.196 64.337 63.100 0.068 0.000 0.837 731 P CB 0.378 32.106 31.700 0.048 0.000 0.786 732 D N -0.407 120.015 120.400 0.037 0.000 2.494 732 D HA 0.029 4.670 4.640 0.003 0.000 0.249 732 D C 1.355 177.669 176.300 0.024 0.000 1.223 732 D CA -0.011 54.004 54.000 0.026 0.000 0.865 732 D CB -0.184 40.630 40.800 0.023 0.000 0.974 732 D HN 0.048 nan 8.370 nan 0.000 0.491 733 L N 0.280 121.518 121.223 0.024 0.000 2.307 733 L HA 0.043 4.385 4.340 0.003 0.000 0.211 733 L C 1.035 177.910 176.870 0.009 0.000 1.099 733 L CA 1.146 55.997 54.840 0.018 0.000 0.816 733 L CB -0.146 41.919 42.059 0.011 0.000 0.952 733 L HN 0.031 nan 8.230 nan 0.000 0.455 734 E N -0.487 119.718 120.200 0.007 0.000 2.511 734 E HA 0.388 4.739 4.350 0.003 0.000 0.214 734 E C 0.152 176.755 176.600 0.004 0.000 1.062 734 E CA -0.220 56.181 56.400 0.002 0.000 1.213 734 E CB 0.388 30.087 29.700 -0.001 0.000 1.214 734 E HN 0.237 nan 8.360 nan 0.000 0.441 735 A N 0.910 123.735 122.820 0.008 0.000 2.306 735 A HA 0.381 4.703 4.320 0.003 0.000 0.314 735 A C 0.802 178.390 177.584 0.007 0.000 1.164 735 A CA -0.622 51.419 52.037 0.008 0.000 0.822 735 A CB 0.874 19.880 19.000 0.011 0.000 1.130 735 A HN 0.095 nan 8.150 nan 0.000 0.496 736 R N 0.796 121.299 120.500 0.005 0.000 2.120 736 R HA -0.035 4.307 4.340 0.003 0.000 0.234 736 R C 0.463 176.766 176.300 0.006 0.000 1.123 736 R CA 0.892 56.994 56.100 0.004 0.000 0.975 736 R CB -0.585 29.716 30.300 0.002 0.000 0.866 736 R HN 0.518 nan 8.270 nan 0.000 0.446 737 V N 2.453 122.371 119.914 0.007 0.000 2.397 737 V HA 0.002 4.124 4.120 0.003 0.000 0.262 737 V C 1.605 177.707 176.094 0.013 0.000 1.047 737 V CA -0.110 62.195 62.300 0.009 0.000 1.003 737 V CB 1.037 32.865 31.823 0.008 0.000 1.037 737 V HN 0.256 nan 8.190 nan 0.000 0.480 738 K N 3.427 123.835 120.400 0.013 0.000 2.127 738 K HA -0.243 4.079 4.320 0.003 0.000 0.208 738 K C 2.321 178.935 176.600 0.023 0.000 1.047 738 K CA 2.060 58.358 56.287 0.019 0.000 0.927 738 K CB -0.008 32.503 32.500 0.019 0.000 0.716 738 K HN 0.814 nan 8.250 nan 0.000 0.450 739 S N 0.590 116.301 115.700 0.019 0.000 2.363 739 S HA -0.165 4.307 4.470 0.003 0.000 0.218 739 S C 2.144 176.756 174.600 0.020 0.000 1.035 739 S CA 2.126 60.337 58.200 0.019 0.000 1.043 739 S CB -0.992 62.216 63.200 0.013 0.000 0.986 739 S HN 0.295 nan 8.310 nan 0.000 0.423 740 V N 1.549 121.473 119.914 0.016 0.000 2.295 740 V HA -0.107 4.015 4.120 0.003 0.000 0.246 740 V C 2.653 178.760 176.094 0.021 0.000 1.049 740 V CA 2.341 64.651 62.300 0.016 0.000 1.024 740 V CB -1.289 30.542 31.823 0.013 0.000 0.648 740 V HN 0.623 nan 8.190 nan 0.000 0.447 741 R N 0.163 120.677 120.500 0.022 0.000 2.103 741 R HA -0.279 4.063 4.340 0.003 0.000 0.234 741 R C 2.536 178.860 176.300 0.040 0.000 1.132 741 R CA 2.584 58.700 56.100 0.027 0.000 0.925 741 R CB -0.654 29.660 30.300 0.023 0.000 0.842 741 R HN 0.732 nan 8.270 nan 0.000 0.430 742 E N -0.676 119.551 120.200 0.045 0.000 2.187 742 E HA -0.261 4.090 4.350 0.003 0.000 0.199 742 E C 1.718 178.362 176.600 0.072 0.000 1.004 742 E CA 1.628 58.067 56.400 0.066 0.000 0.813 742 E CB -0.097 29.641 29.700 0.065 0.000 0.736 742 E HN 0.532 nan 8.360 nan 0.000 0.468 743 A N 0.672 123.519 122.820 0.045 0.000 1.873 743 A HA -0.051 4.271 4.320 0.003 0.000 0.215 743 A C 2.391 179.989 177.584 0.023 0.000 1.186 743 A CA 1.541 53.594 52.037 0.027 0.000 0.616 743 A CB -0.836 18.171 19.000 0.011 0.000 0.823 743 A HN 0.365 nan 8.150 nan 0.000 0.442 744 A N 0.378 123.216 122.820 0.030 0.000 1.927 744 A HA -0.269 4.053 4.320 0.003 0.000 0.220 744 A C 1.898 179.510 177.584 0.048 0.000 1.185 744 A CA 1.931 53.986 52.037 0.031 0.000 0.639 744 A CB -0.691 18.330 19.000 0.034 0.000 0.820 744 A HN 0.692 nan 8.150 nan 0.000 0.451 745 E N -0.614 119.637 120.200 0.086 0.000 2.023 745 E HA -0.248 4.104 4.350 0.003 0.000 0.196 745 E C 2.287 179.021 176.600 0.223 0.000 1.003 745 E CA 1.411 57.918 56.400 0.178 0.000 0.809 745 E CB -0.283 29.540 29.700 0.204 0.000 0.755 745 E HN 0.530 nan 8.360 nan 0.000 0.449 746 R N 0.555 121.117 120.500 0.104 0.000 2.096 746 R HA -0.136 4.206 4.340 0.003 0.000 0.240 746 R C 2.476 178.522 176.300 -0.423 0.000 1.139 746 R CA 1.867 57.799 56.100 -0.280 0.000 0.952 746 R CB -0.317 29.917 30.300 -0.110 0.000 0.854 746 R HN 0.215 nan 8.270 nan 0.000 0.436 747 M N -0.600 118.899 119.600 -0.169 0.000 2.084 747 M HA -0.177 4.305 4.480 0.003 0.000 0.259 747 M C 2.467 178.710 176.300 -0.095 0.000 1.072 747 M CA 1.993 57.218 55.300 -0.124 0.000 1.107 747 M CB -0.558 32.012 32.600 -0.050 0.000 1.299 747 M HN 0.302 nan 8.290 nan 0.000 0.413 748 A N 0.684 123.493 122.820 -0.020 0.000 1.958 748 A HA -0.214 4.108 4.320 0.003 0.000 0.221 748 A C 1.862 179.499 177.584 0.087 0.000 1.178 748 A CA 2.170 54.229 52.037 0.037 0.000 0.642 748 A CB -1.078 17.956 19.000 0.058 0.000 0.816 748 A HN 0.696 nan 8.150 nan 0.000 0.453 749 F N 0.419 120.374 119.950 0.009 0.000 2.619 749 F HA 0.127 4.655 4.527 0.002 0.000 0.293 749 F C 1.519 177.398 175.800 0.132 0.000 1.119 749 F CA 0.744 58.739 58.000 -0.008 0.000 1.445 749 F CB -0.507 38.452 39.000 -0.068 0.000 1.119 749 F HN 0.269 nan 8.300 nan 0.000 0.573 750 N N 1.319 119.904 118.700 -0.191 0.000 2.300 750 N HA -0.174 4.568 4.740 0.003 0.000 0.179 750 N C 1.835 177.411 175.510 0.110 0.000 1.016 750 N CA 1.415 54.445 53.050 -0.032 0.000 0.876 750 N CB -0.476 37.896 38.487 -0.191 0.000 0.979 750 N HN 0.380 nan 8.380 nan 0.000 0.432 751 M N 1.472 121.114 119.600 0.071 0.000 2.103 751 M HA -0.112 4.370 4.480 0.003 0.000 0.255 751 M C -1.081 175.303 176.300 0.140 0.000 1.074 751 M CA 1.828 57.179 55.300 0.086 0.000 1.090 751 M CB -1.947 30.690 32.600 0.061 0.000 1.325 751 M HN 0.036 nan 8.290 nan 0.000 0.403 752 P HA -0.105 nan 4.420 nan 0.000 0.216 752 P C 1.628 179.039 177.300 0.184 0.000 1.153 752 P CA 1.814 65.061 63.100 0.247 0.000 0.848 752 P CB -0.561 31.404 31.700 0.442 0.000 0.787 753 V N -2.490 117.554 119.914 0.217 0.000 3.444 753 V HA -0.077 4.045 4.120 0.003 0.000 0.271 753 V C 1.798 177.939 176.094 0.078 0.000 1.188 753 V CA 1.406 63.767 62.300 0.101 0.000 1.168 753 V CB -0.904 30.985 31.823 0.111 0.000 0.810 753 V HN 0.079 nan 8.190 nan 0.000 0.500 754 Q N 0.128 119.984 119.800 0.092 0.000 2.499 754 Q HA 0.209 4.551 4.340 0.003 0.000 0.213 754 Q C 2.161 178.206 176.000 0.075 0.000 0.929 754 Q CA 0.867 56.711 55.803 0.067 0.000 0.904 754 Q CB 0.091 28.862 28.738 0.054 0.000 1.052 754 Q HN 0.620 nan 8.270 nan 0.000 0.589 755 G N 0.299 109.152 108.800 0.088 0.000 2.476 755 G HA2 -0.292 3.670 3.960 0.003 0.000 0.218 755 G HA3 -0.292 3.670 3.960 0.003 0.000 0.218 755 G C 1.362 176.335 174.900 0.121 0.000 1.164 755 G CA 1.575 46.736 45.100 0.101 0.000 0.768 755 G HN 0.306 nan 8.290 nan 0.000 0.560 756 T N 1.553 116.168 114.554 0.101 0.000 2.595 756 T HA -0.059 4.293 4.350 0.003 0.000 0.264 756 T C 2.830 177.590 174.700 0.100 0.000 1.058 756 T CA 2.126 64.283 62.100 0.095 0.000 1.166 756 T CB -0.653 68.204 68.868 -0.018 0.000 0.863 756 T HN 0.405 nan 8.240 nan 0.000 0.415 757 A N 1.320 124.162 122.820 0.037 0.000 1.971 757 A HA -0.085 4.237 4.320 0.003 0.000 0.222 757 A C 2.547 180.166 177.584 0.059 0.000 1.182 757 A CA 2.359 54.399 52.037 0.005 0.000 0.649 757 A CB -1.150 17.844 19.000 -0.010 0.000 0.818 757 A HN 0.577 nan 8.150 nan 0.000 0.458 758 A N 0.269 123.147 122.820 0.096 0.000 1.841 758 A HA -0.171 4.151 4.320 0.003 0.000 0.214 758 A C 1.768 179.424 177.584 0.120 0.000 1.195 758 A CA 1.653 53.762 52.037 0.120 0.000 0.611 758 A CB -0.709 18.369 19.000 0.130 0.000 0.835 758 A HN 0.536 nan 8.150 nan 0.000 0.443 759 D N 0.538 121.025 120.400 0.145 0.000 2.149 759 D HA -0.205 4.437 4.640 0.003 0.000 0.194 759 D C 1.994 178.329 176.300 0.058 0.000 1.001 759 D CA 1.340 55.406 54.000 0.109 0.000 0.849 759 D CB -0.557 40.405 40.800 0.270 0.000 0.939 759 D HN 0.454 nan 8.370 nan 0.000 0.449 760 L N 0.036 121.350 121.223 0.151 0.000 1.933 760 L HA -0.240 4.102 4.340 0.003 0.000 0.220 760 L C 2.745 179.690 176.870 0.124 0.000 1.078 760 L CA 1.510 56.426 54.840 0.126 0.000 0.773 760 L CB -0.630 41.452 42.059 0.037 0.000 0.890 760 L HN 0.069 nan 8.230 nan 0.000 0.434 761 M N -0.013 119.682 119.600 0.159 0.000 2.089 761 M HA -0.248 4.234 4.480 0.003 0.000 0.257 761 M C 2.296 178.654 176.300 0.096 0.000 1.071 761 M CA 1.872 57.295 55.300 0.204 0.000 1.096 761 M CB -0.282 32.444 32.600 0.210 0.000 1.330 761 M HN 0.013 nan 8.290 nan 0.000 0.403 762 K N -0.005 120.431 120.400 0.060 0.000 2.059 762 K HA -0.222 4.100 4.320 0.003 0.000 0.212 762 K C 2.132 178.714 176.600 -0.031 0.000 1.050 762 K CA 2.003 58.294 56.287 0.006 0.000 0.927 762 K CB -0.864 31.638 32.500 0.004 0.000 0.714 762 K HN 0.492 nan 8.250 nan 0.000 0.447 763 L N 0.436 121.632 121.223 -0.045 0.000 1.989 763 L HA -0.240 4.102 4.340 0.003 0.000 0.211 763 L C 2.555 179.427 176.870 0.002 0.000 1.071 763 L CA 1.521 56.324 54.840 -0.062 0.000 0.749 763 L CB -0.642 41.378 42.059 -0.065 0.000 0.890 763 L HN 0.212 nan 8.230 nan 0.000 0.431 764 A N -0.190 122.666 122.820 0.060 0.000 1.869 764 A HA -0.347 3.975 4.320 0.003 0.000 0.218 764 A C 2.196 179.795 177.584 0.024 0.000 1.203 764 A CA 2.539 54.618 52.037 0.071 0.000 0.638 764 A CB -0.730 18.345 19.000 0.125 0.000 0.831 764 A HN 0.477 nan 8.150 nan 0.000 0.450 765 M N -0.793 118.808 119.600 0.002 0.000 2.144 765 M HA -0.179 4.303 4.480 0.003 0.000 0.260 765 M C 1.990 178.277 176.300 -0.022 0.000 1.067 765 M CA 1.661 56.940 55.300 -0.036 0.000 1.095 765 M CB -0.381 32.171 32.600 -0.079 0.000 1.365 765 M HN 0.309 nan 8.290 nan 0.000 0.406 766 V N -0.433 119.465 119.914 -0.027 0.000 2.488 766 V HA -0.207 3.915 4.120 0.003 0.000 0.246 766 V C 2.160 178.256 176.094 0.004 0.000 1.046 766 V CA 1.520 63.806 62.300 -0.024 0.000 1.053 766 V CB -0.623 31.156 31.823 -0.074 0.000 0.679 766 V HN 0.408 nan 8.190 nan 0.000 0.458 767 K N -0.306 120.097 120.400 0.005 0.000 2.001 767 K HA -0.139 4.183 4.320 0.003 0.000 0.208 767 K C 2.137 178.748 176.600 0.018 0.000 1.048 767 K CA 1.409 57.704 56.287 0.013 0.000 0.932 767 K CB -0.338 32.180 32.500 0.030 0.000 0.715 767 K HN 0.236 nan 8.250 nan 0.000 0.437 768 L N 0.686 121.927 121.223 0.029 0.000 1.943 768 L HA -0.217 4.125 4.340 0.003 0.000 0.215 768 L C 2.098 179.008 176.870 0.066 0.000 1.074 768 L CA 1.615 56.475 54.840 0.034 0.000 0.759 768 L CB -0.726 41.349 42.059 0.026 0.000 0.888 768 L HN 0.111 nan 8.230 nan 0.000 0.433 769 F N 1.150 121.048 119.950 -0.086 0.000 2.076 769 F HA -0.289 4.240 4.527 0.003 0.000 0.294 769 F C -0.633 175.103 175.800 -0.106 0.000 1.078 769 F CA 2.506 60.443 58.000 -0.105 0.000 1.247 769 F CB -2.096 36.827 39.000 -0.129 0.000 0.984 769 F HN 0.231 nan 8.300 nan 0.000 0.491 770 P HA -0.230 nan 4.420 nan 0.000 0.213 770 P C 1.412 178.552 177.300 -0.266 0.000 1.170 770 P CA 2.066 64.975 63.100 -0.319 0.000 0.898 770 P CB -0.379 31.225 31.700 -0.161 0.000 0.787 771 R N -0.544 119.868 120.500 -0.147 0.000 2.200 771 R HA -0.055 4.287 4.340 0.003 0.000 0.234 771 R C 2.579 178.807 176.300 -0.119 0.000 1.127 771 R CA 0.717 56.750 56.100 -0.111 0.000 0.989 771 R CB -1.307 28.955 30.300 -0.063 0.000 0.869 771 R HN 0.327 nan 8.270 nan 0.000 0.459 772 L N 0.879 122.019 121.223 -0.137 0.000 1.948 772 L HA -0.206 4.136 4.340 0.003 0.000 0.212 772 L C 2.449 179.224 176.870 -0.158 0.000 1.074 772 L CA 1.673 56.457 54.840 -0.094 0.000 0.753 772 L CB -0.441 41.626 42.059 0.013 0.000 0.888 772 L HN 0.201 nan 8.230 nan 0.000 0.432 773 E N -0.116 119.874 120.200 -0.349 0.000 2.130 773 E HA -0.256 4.095 4.350 0.003 0.000 0.196 773 E C 1.803 178.287 176.600 -0.192 0.000 0.998 773 E CA 1.425 57.640 56.400 -0.309 0.000 0.806 773 E CB 0.006 29.395 29.700 -0.518 0.000 0.738 773 E HN 0.535 nan 8.360 nan 0.000 0.459 774 E N -0.366 119.719 120.200 -0.192 0.000 2.520 774 E HA -0.064 4.288 4.350 0.003 0.000 0.201 774 E C 1.230 177.771 176.600 -0.097 0.000 1.122 774 E CA 0.876 57.197 56.400 -0.131 0.000 0.896 774 E CB -0.502 29.125 29.700 -0.121 0.000 0.891 774 E HN 0.270 nan 8.360 nan 0.000 0.533 775 M N -2.752 116.792 119.600 -0.093 0.000 2.163 775 M HA 0.340 4.822 4.480 0.003 0.000 0.356 775 M C 1.550 177.812 176.300 -0.065 0.000 0.863 775 M CA 0.904 56.160 55.300 -0.072 0.000 1.113 775 M CB 1.600 34.163 32.600 -0.060 0.000 2.038 775 M HN 0.510 nan 8.290 nan 0.000 0.691 776 G N 1.243 110.014 108.800 -0.049 0.000 2.159 776 G HA2 -0.197 3.765 3.960 0.003 0.000 0.256 776 G HA3 -0.197 3.765 3.960 0.003 0.000 0.256 776 G C 0.084 175.039 174.900 0.092 0.000 0.977 776 G CA 0.265 45.363 45.100 -0.003 0.000 0.652 776 G HN 0.713 nan 8.290 nan 0.000 0.531 777 A N -0.364 122.510 122.820 0.090 0.000 2.264 777 A HA 0.938 5.260 4.320 0.003 0.000 0.304 777 A C 0.547 178.268 177.584 0.227 0.000 1.100 777 A CA -0.001 52.167 52.037 0.217 0.000 0.839 777 A CB 0.658 19.733 19.000 0.124 0.000 1.121 777 A HN 0.826 nan 8.150 nan 0.000 0.496 778 R N 0.171 120.817 120.500 0.243 0.000 2.854 778 R HA 0.673 5.015 4.340 0.003 0.000 0.271 778 R C -0.939 175.405 176.300 0.074 0.000 0.996 778 R CA -0.682 55.519 56.100 0.168 0.000 0.961 778 R CB 1.620 31.961 30.300 0.068 0.000 1.182 778 R HN 0.664 nan 8.270 nan 0.000 0.479 779 M N 3.151 122.763 119.600 0.020 0.000 2.061 779 M HA 0.227 4.708 4.480 0.003 0.000 0.346 779 M C -0.185 175.998 176.300 -0.194 0.000 1.112 779 M CA -0.321 54.910 55.300 -0.116 0.000 1.021 779 M CB 0.899 33.370 32.600 -0.216 0.000 1.530 779 M HN 0.684 nan 8.290 nan 0.000 0.437 780 L N 4.530 125.636 121.223 -0.194 0.000 2.115 780 L HA 0.244 4.586 4.340 0.003 0.000 0.200 780 L C -0.135 176.609 176.870 -0.209 0.000 1.094 780 L CA 0.642 55.361 54.840 -0.202 0.000 0.769 780 L CB -0.068 41.861 42.059 -0.216 0.000 0.931 780 L HN 0.543 nan 8.230 nan 0.000 0.455 781 L N -0.987 120.093 121.223 -0.237 0.000 2.350 781 L HA 0.506 4.848 4.340 0.003 0.000 0.260 781 L C -0.736 176.029 176.870 -0.175 0.000 1.015 781 L CA -0.447 54.312 54.840 -0.134 0.000 0.821 781 L CB 1.798 43.789 42.059 -0.114 0.000 1.370 781 L HN -0.018 nan 8.230 nan 0.000 0.416 782 Q N 1.384 121.137 119.800 -0.078 0.000 2.323 782 Q HA 0.501 4.843 4.340 0.003 0.000 0.271 782 Q C -1.785 174.234 176.000 0.031 0.000 1.048 782 Q CA -0.469 55.294 55.803 -0.066 0.000 0.792 782 Q CB 2.689 31.327 28.738 -0.168 0.000 1.280 782 Q HN 0.536 nan 8.270 nan 0.000 0.441 783 V N 5.852 125.752 119.914 -0.022 0.000 2.592 783 V HA 0.219 4.341 4.120 0.003 0.000 0.278 783 V C 0.094 176.083 176.094 -0.175 0.000 1.087 783 V CA -0.039 62.163 62.300 -0.163 0.000 1.282 783 V CB -0.889 30.950 31.823 0.025 0.000 1.543 783 V HN 1.091 nan 8.190 nan 0.000 0.606 784 H N 0.838 119.982 119.070 0.124 0.000 4.905 784 H HA -0.249 4.309 4.556 0.003 0.000 0.065 784 H C 1.234 176.630 175.328 0.114 0.000 0.584 784 H CA 1.802 57.914 56.048 0.106 0.000 0.984 784 H CB -0.685 29.130 29.762 0.088 0.000 0.446 784 H HN 0.723 nan 8.280 nan 0.000 0.786 785 D N 1.239 121.778 120.400 0.231 0.000 2.556 785 D HA 0.141 4.783 4.640 0.003 0.000 0.237 785 D C -0.004 176.417 176.300 0.202 0.000 1.296 785 D CA 0.628 54.768 54.000 0.232 0.000 0.807 785 D CB 0.262 41.177 40.800 0.193 0.000 1.084 785 D HN 0.763 nan 8.370 nan 0.000 0.510 786 E N -0.323 119.949 120.200 0.121 0.000 2.390 786 E HA 0.645 4.997 4.350 0.003 0.000 0.277 786 E C -1.370 175.240 176.600 0.018 0.000 0.939 786 E CA -1.043 55.393 56.400 0.060 0.000 0.769 786 E CB 2.031 31.785 29.700 0.090 0.000 1.251 786 E HN -0.035 nan 8.360 nan 0.000 0.450 787 L N 1.026 122.229 121.223 -0.033 0.000 2.301 787 L HA 0.711 5.053 4.340 0.003 0.000 0.264 787 L C -1.175 175.631 176.870 -0.106 0.000 1.016 787 L CA -1.263 53.529 54.840 -0.079 0.000 0.821 787 L CB 2.451 44.445 42.059 -0.108 0.000 1.346 787 L HN 0.475 nan 8.230 nan 0.000 0.429 788 V N 3.081 122.885 119.914 -0.184 0.000 2.525 788 V HA 0.474 4.596 4.120 0.003 0.000 0.299 788 V C -0.743 175.222 176.094 -0.214 0.000 1.034 788 V CA -0.524 61.616 62.300 -0.267 0.000 0.863 788 V CB 1.787 33.275 31.823 -0.558 0.000 0.999 788 V HN 0.335 nan 8.190 nan 0.000 0.423 789 L N 3.275 124.413 121.223 -0.143 0.000 2.286 789 L HA 0.702 5.043 4.340 0.003 0.000 0.265 789 L C 0.042 176.891 176.870 -0.035 0.000 1.012 789 L CA -0.751 54.042 54.840 -0.078 0.000 0.818 789 L CB 1.681 43.724 42.059 -0.027 0.000 1.337 789 L HN 0.614 nan 8.230 nan 0.000 0.438 790 E N 0.251 120.473 120.200 0.037 0.000 2.216 790 E HA 0.698 5.050 4.350 0.003 0.000 0.260 790 E C -1.357 175.532 176.600 0.481 0.000 0.880 790 E CA -0.421 56.068 56.400 0.147 0.000 0.765 790 E CB 2.337 31.975 29.700 -0.103 0.000 1.174 790 E HN 0.719 nan 8.360 nan 0.000 0.417 791 A N 4.350 127.475 122.820 0.509 0.000 2.423 791 A HA 0.802 5.124 4.320 0.003 0.000 0.304 791 A C -2.734 174.855 177.584 0.009 0.000 1.104 791 A CA -1.715 50.475 52.037 0.255 0.000 0.757 791 A CB 1.543 20.583 19.000 0.066 0.000 1.313 791 A HN 0.303 nan 8.150 nan 0.000 0.423 792 P HA 0.341 nan 4.420 nan 0.000 0.284 792 P C 0.111 177.224 177.300 -0.310 0.000 1.253 792 P CA -0.398 62.234 63.100 -0.780 0.000 0.800 792 P CB 0.943 32.042 31.700 -1.002 0.000 0.961 793 K N 1.712 121.995 120.400 -0.196 0.000 2.163 793 K HA -0.317 4.005 4.320 0.003 0.000 0.210 793 K C 2.243 178.779 176.600 -0.106 0.000 1.048 793 K CA 2.734 58.963 56.287 -0.096 0.000 0.928 793 K CB -0.581 31.881 32.500 -0.063 0.000 0.716 793 K HN 0.643 nan 8.250 nan 0.000 0.459 794 E N 1.113 121.224 120.200 -0.149 0.000 2.012 794 E HA -0.206 4.145 4.350 0.003 0.000 0.197 794 E C 1.957 178.493 176.600 -0.106 0.000 1.007 794 E CA 1.917 58.244 56.400 -0.122 0.000 0.816 794 E CB -0.450 29.164 29.700 -0.144 0.000 0.762 794 E HN 0.424 nan 8.360 nan 0.000 0.451 795 R N -0.767 119.654 120.500 -0.131 0.000 2.280 795 R HA 0.431 4.773 4.340 0.003 0.000 0.195 795 R C 2.628 178.882 176.300 -0.076 0.000 0.935 795 R CA 0.689 56.730 56.100 -0.099 0.000 1.033 795 R CB -0.001 30.233 30.300 -0.110 0.000 0.964 795 R HN 0.445 nan 8.270 nan 0.000 0.489 796 A N 1.630 124.401 122.820 -0.082 0.000 1.916 796 A HA -0.349 3.973 4.320 0.003 0.000 0.224 796 A C 1.955 179.526 177.584 -0.021 0.000 1.366 796 A CA 2.162 54.177 52.037 -0.038 0.000 0.692 796 A CB -0.556 18.430 19.000 -0.022 0.000 0.841 796 A HN 0.393 nan 8.150 nan 0.000 0.480 797 E N -1.116 119.070 120.200 -0.024 0.000 2.216 797 E HA 0.053 4.405 4.350 0.003 0.000 0.192 797 E C 2.111 178.699 176.600 -0.020 0.000 0.988 797 E CA 0.640 57.030 56.400 -0.017 0.000 0.834 797 E CB -0.159 29.533 29.700 -0.015 0.000 0.772 797 E HN 0.623 nan 8.360 nan 0.000 0.479 798 A N 0.346 123.148 122.820 -0.029 0.000 2.168 798 A HA -0.041 4.281 4.320 0.003 0.000 0.215 798 A C 2.173 179.741 177.584 -0.027 0.000 1.152 798 A CA 0.515 52.534 52.037 -0.029 0.000 0.716 798 A CB 0.015 18.993 19.000 -0.037 0.000 0.794 798 A HN 0.109 nan 8.150 nan 0.000 0.465 799 V N -0.607 119.291 119.914 -0.026 0.000 2.379 799 V HA -0.088 4.034 4.120 0.003 0.000 0.243 799 V C 2.953 179.036 176.094 -0.018 0.000 1.035 799 V CA 1.358 63.645 62.300 -0.021 0.000 1.035 799 V CB -1.051 30.764 31.823 -0.013 0.000 0.673 799 V HN 0.572 nan 8.190 nan 0.000 0.457 800 A N 0.450 123.260 122.820 -0.016 0.000 1.848 800 A HA -0.358 3.964 4.320 0.003 0.000 0.217 800 A C 2.267 179.839 177.584 -0.021 0.000 1.220 800 A CA 2.693 54.720 52.037 -0.018 0.000 0.645 800 A CB -0.854 18.139 19.000 -0.012 0.000 0.842 800 A HN 0.442 nan 8.150 nan 0.000 0.451 801 R N -1.137 119.353 120.500 -0.016 0.000 2.190 801 R HA -0.213 4.129 4.340 0.003 0.000 0.255 801 R C 2.188 178.479 176.300 -0.016 0.000 1.143 801 R CA 2.088 58.179 56.100 -0.014 0.000 0.965 801 R CB -0.444 29.848 30.300 -0.012 0.000 0.889 801 R HN 0.604 nan 8.270 nan 0.000 0.448 802 L N -0.580 120.632 121.223 -0.019 0.000 2.007 802 L HA -0.089 4.252 4.340 0.003 0.000 0.205 802 L C 2.258 179.115 176.870 -0.022 0.000 1.073 802 L CA 1.976 56.805 54.840 -0.019 0.000 0.744 802 L CB -1.121 40.925 42.059 -0.021 0.000 0.898 802 L HN 0.362 nan 8.230 nan 0.000 0.435 803 A N 0.413 123.216 122.820 -0.028 0.000 1.903 803 A HA -0.339 3.982 4.320 0.003 0.000 0.219 803 A C 2.364 179.914 177.584 -0.057 0.000 1.191 803 A CA 2.465 54.478 52.037 -0.040 0.000 0.638 803 A CB -0.727 18.245 19.000 -0.046 0.000 0.823 803 A HN 0.544 nan 8.150 nan 0.000 0.451 804 K N -0.763 119.603 120.400 -0.057 0.000 1.988 804 K HA -0.256 4.066 4.320 0.003 0.000 0.221 804 K C 2.110 178.687 176.600 -0.039 0.000 1.053 804 K CA 2.547 58.795 56.287 -0.066 0.000 0.959 804 K CB -0.485 31.991 32.500 -0.040 0.000 0.728 804 K HN 0.458 nan 8.250 nan 0.000 0.447 805 E N 0.216 120.407 120.200 -0.015 0.000 2.331 805 E HA -0.094 4.258 4.350 0.003 0.000 0.199 805 E C 1.841 178.449 176.600 0.014 0.000 1.008 805 E CA 1.503 57.906 56.400 0.005 0.000 0.843 805 E CB -0.702 29.001 29.700 0.004 0.000 0.761 805 E HN 0.296 nan 8.360 nan 0.000 0.507 806 V N -0.177 119.738 119.914 0.001 0.000 2.591 806 V HA -0.152 3.970 4.120 0.003 0.000 0.249 806 V C 2.497 178.613 176.094 0.037 0.000 1.053 806 V CA 1.875 64.184 62.300 0.014 0.000 1.068 806 V CB -0.239 31.584 31.823 0.000 0.000 0.689 806 V HN 0.542 nan 8.190 nan 0.000 0.462 807 M N -0.682 118.922 119.600 0.007 0.000 2.171 807 M HA -0.060 4.421 4.480 0.003 0.000 0.260 807 M C 2.139 178.561 176.300 0.203 0.000 1.087 807 M CA 1.540 56.867 55.300 0.045 0.000 1.154 807 M CB -0.585 31.852 32.600 -0.271 0.000 1.331 807 M HN 0.175 nan 8.290 nan 0.000 0.431 808 E N 0.095 120.378 120.200 0.137 0.000 2.236 808 E HA -0.218 4.133 4.350 0.003 0.000 0.205 808 E C 1.494 178.186 176.600 0.154 0.000 1.028 808 E CA 1.322 57.837 56.400 0.192 0.000 0.827 808 E CB -0.476 29.282 29.700 0.096 0.000 0.735 808 E HN 0.655 nan 8.360 nan 0.000 0.470 809 G N 0.518 109.389 108.800 0.119 0.000 3.651 809 G HA2 0.109 4.071 3.960 0.003 0.000 0.279 809 G HA3 0.109 4.071 3.960 0.003 0.000 0.279 809 G C 1.113 176.080 174.900 0.112 0.000 1.024 809 G CA 0.111 45.266 45.100 0.091 0.000 0.813 809 G HN 0.170 nan 8.290 nan 0.000 0.518 810 V N -0.105 119.909 119.914 0.166 0.000 2.278 810 V HA -0.097 4.025 4.120 0.003 0.000 0.251 810 V C 0.708 176.966 176.094 0.272 0.000 1.062 810 V CA 1.666 64.085 62.300 0.198 0.000 1.038 810 V CB -0.189 31.769 31.823 0.225 0.000 0.646 810 V HN 0.391 nan 8.190 nan 0.000 0.447 811 Y N 0.786 121.153 120.300 0.110 0.000 2.517 811 Y HA 0.493 5.044 4.550 0.003 0.000 0.328 811 Y C -2.539 173.383 175.900 0.038 0.000 1.130 811 Y CA -2.520 55.648 58.100 0.114 0.000 1.280 811 Y CB 0.684 39.282 38.460 0.231 0.000 1.101 811 Y HN 0.256 nan 8.280 nan 0.000 0.610 812 P HA 0.009 nan 4.420 nan 0.000 0.264 812 P C -0.585 176.690 177.300 -0.042 0.000 1.173 812 P CA 0.924 64.005 63.100 -0.032 0.000 0.761 812 P CB 0.824 32.492 31.700 -0.054 0.000 0.794 813 L N 1.114 122.336 121.223 -0.002 0.000 2.230 813 L HA 0.581 4.923 4.340 0.003 0.000 0.255 813 L C 1.418 178.447 176.870 0.265 0.000 1.039 813 L CA -1.180 53.694 54.840 0.058 0.000 0.846 813 L CB 0.826 42.764 42.059 -0.202 0.000 1.419 813 L HN 0.196 nan 8.230 nan 0.000 0.435 814 A N 0.331 123.493 122.820 0.571 0.000 2.292 814 A HA 0.224 4.546 4.320 0.003 0.000 0.209 814 A C 0.267 177.927 177.584 0.127 0.000 1.209 814 A CA 0.849 52.986 52.037 0.168 0.000 0.746 814 A CB -1.169 17.801 19.000 -0.050 0.000 0.764 814 A HN 0.433 nan 8.150 nan 0.000 0.492 815 V N -5.247 114.747 119.914 0.134 0.000 3.188 815 V HA 0.650 4.772 4.120 0.003 0.000 0.305 815 V C -3.244 172.869 176.094 0.032 0.000 1.232 815 V CA -2.563 59.788 62.300 0.085 0.000 1.043 815 V CB 1.999 33.873 31.823 0.085 0.000 1.068 815 V HN 0.041 nan 8.190 nan 0.000 0.439 816 P HA 0.525 nan 4.420 nan 0.000 0.294 816 P C -1.275 176.000 177.300 -0.041 0.000 1.294 816 P CA -0.404 62.699 63.100 0.005 0.000 0.827 816 P CB 1.424 33.141 31.700 0.029 0.000 0.992 817 L N 3.100 124.317 121.223 -0.011 0.000 2.278 817 L HA 0.271 4.613 4.340 0.003 0.000 0.287 817 L C 1.036 177.964 176.870 0.097 0.000 1.072 817 L CA 0.303 55.141 54.840 -0.004 0.000 0.819 817 L CB -0.516 41.567 42.059 0.040 0.000 1.176 817 L HN 0.355 nan 8.230 nan 0.000 0.435 818 E N 2.138 122.378 120.200 0.068 0.000 2.283 818 E HA 0.621 4.973 4.350 0.003 0.000 0.271 818 E C -1.222 175.470 176.600 0.155 0.000 1.031 818 E CA -0.498 55.952 56.400 0.084 0.000 0.868 818 E CB 2.226 31.948 29.700 0.036 0.000 1.094 818 E HN 0.258 nan 8.360 nan 0.000 0.401 819 V N 1.125 121.088 119.914 0.080 0.000 2.777 819 V HA 0.350 4.472 4.120 0.003 0.000 0.306 819 V C -0.077 176.021 176.094 0.006 0.000 1.112 819 V CA -0.789 61.523 62.300 0.020 0.000 0.917 819 V CB 1.395 33.160 31.823 -0.097 0.000 1.018 819 V HN 0.800 nan 8.190 nan 0.000 0.426 820 E N 2.549 122.755 120.200 0.010 0.000 2.242 820 E HA 0.818 5.169 4.350 0.003 0.000 0.275 820 E C -0.824 175.777 176.600 0.002 0.000 1.002 820 E CA -0.494 55.916 56.400 0.016 0.000 0.841 820 E CB 2.077 31.797 29.700 0.033 0.000 1.109 820 E HN 0.752 nan 8.360 nan 0.000 0.394 821 V N -0.236 119.683 119.914 0.008 0.000 2.962 821 V HA 0.964 5.086 4.120 0.003 0.000 0.313 821 V C 0.464 176.570 176.094 0.020 0.000 1.099 821 V CA -0.246 62.057 62.300 0.005 0.000 0.971 821 V CB 2.210 34.029 31.823 -0.007 0.000 1.028 821 V HN 1.175 nan 8.190 nan 0.000 0.430 822 G N 1.735 110.550 108.800 0.026 0.000 2.696 822 G HA2 0.828 4.790 3.960 0.003 0.000 0.295 822 G HA3 0.828 4.790 3.960 0.003 0.000 0.295 822 G C -1.741 173.181 174.900 0.036 0.000 1.398 822 G CA -0.580 44.543 45.100 0.038 0.000 0.920 822 G HN 0.621 nan 8.290 nan 0.000 0.492 823 I N 0.511 121.103 120.570 0.037 0.000 2.569 823 I HA 0.750 4.922 4.170 0.003 0.000 0.290 823 I C 0.296 176.439 176.117 0.043 0.000 1.088 823 I CA -0.581 60.740 61.300 0.035 0.000 1.047 823 I CB 2.488 40.502 38.000 0.024 0.000 1.237 823 I HN 0.871 nan 8.210 nan 0.000 0.421 824 G N 3.366 112.196 108.800 0.051 0.000 2.559 824 G HA2 0.284 4.246 3.960 0.003 0.000 0.291 824 G HA3 0.284 4.246 3.960 0.003 0.000 0.291 824 G C -0.301 174.634 174.900 0.058 0.000 1.424 824 G CA -0.399 44.733 45.100 0.054 0.000 0.786 824 G HN 0.560 nan 8.290 nan 0.000 0.485 825 E N -0.478 119.754 120.200 0.052 0.000 2.358 825 E HA 0.007 4.359 4.350 0.003 0.000 0.195 825 E C 0.109 176.741 176.600 0.054 0.000 1.010 825 E CA 0.983 57.413 56.400 0.050 0.000 0.856 825 E CB 0.228 29.948 29.700 0.034 0.000 0.795 825 E HN 0.599 nan 8.360 nan 0.000 0.504 826 D N -2.103 118.342 120.400 0.075 0.000 2.570 826 D HA -0.042 4.600 4.640 0.003 0.000 0.244 826 D C 0.306 176.731 176.300 0.210 0.000 1.178 826 D CA -0.730 53.344 54.000 0.123 0.000 0.881 826 D CB 0.410 41.261 40.800 0.085 0.000 1.453 826 D HN -0.182 nan 8.370 nan 0.000 0.447 827 W N 1.043 122.384 121.300 0.068 0.000 2.318 827 W HA -0.182 4.479 4.660 0.003 0.000 0.313 827 W C 1.899 178.424 176.519 0.010 0.000 1.221 827 W CA 1.094 58.457 57.345 0.030 0.000 1.266 827 W CB -0.771 28.694 29.460 0.008 0.000 1.150 827 W HN 0.506 nan 8.180 nan 0.000 0.496 828 L N 0.903 122.261 121.223 0.224 0.000 2.017 828 L HA -0.189 4.153 4.340 0.003 0.000 0.208 828 L C 2.395 179.313 176.870 0.080 0.000 1.073 828 L CA 2.749 57.629 54.840 0.067 0.000 0.745 828 L CB -1.324 40.756 42.059 0.034 0.000 0.894 828 L HN -0.193 nan 8.230 nan 0.000 0.432 829 S N -0.137 115.618 115.700 0.091 0.000 2.453 829 S HA 0.040 4.512 4.470 0.003 0.000 0.231 829 S C 1.868 176.517 174.600 0.082 0.000 1.005 829 S CA 0.691 58.932 58.200 0.068 0.000 0.949 829 S CB -0.487 62.744 63.200 0.051 0.000 0.774 829 S HN 0.613 nan 8.310 nan 0.000 0.510 830 A N 0.992 123.886 122.820 0.123 0.000 2.277 830 A HA 0.090 4.412 4.320 0.003 0.000 0.208 830 A C 1.066 178.714 177.584 0.107 0.000 1.202 830 A CA 0.700 52.807 52.037 0.115 0.000 0.762 830 A CB -0.540 18.548 19.000 0.146 0.000 0.770 830 A HN 0.249 nan 8.150 nan 0.000 0.487 831 K N -0.001 120.454 120.400 0.092 0.000 3.071 831 K HA -0.172 4.150 4.320 0.003 0.000 0.265 831 K C 0.481 177.128 176.600 0.078 0.000 1.060 831 K CA 1.030 57.357 56.287 0.066 0.000 0.767 831 K CB -1.705 30.825 32.500 0.050 0.000 1.241 831 K HN 0.878 nan 8.250 nan 0.000 0.486 832 E N 0.000 120.271 120.200 0.119 0.000 2.725 832 E HA 0.000 4.352 4.350 0.003 0.000 0.291 832 E CA 0.000 56.484 56.400 0.140 0.000 0.976 832 E CB 0.000 29.849 29.700 0.249 0.000 0.812 832 E HN 0.000 nan 8.360 nan 0.000 0.440