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 3ktq_1_A DATA FIRST_RESID 293 DATA SEQUENCE ALEEAPWPPP EGAFVGFVLS RKEPMWADLL ALAAARGGRV HRAPEPYKAL DATA SEQUENCE RDLKEARGLL AKDLSVLALR EGLGLPPGDD PMLLAYLLDP SNTTPEGVAR DATA SEQUENCE RYGGEWTEEA GERAALSERL FANLWGRLEG EERLLWLYRE VERPLSAVLA DATA SEQUENCE HMEATGVRLD VAYLRALSLE VAEEIARLEA EVFRLAGHPF NLNSRDQLER DATA SEQUENCE VLFDELGLPA IGKTEKTGKR STSAAVLEAL REAHPIVEKI LQYRELTKLK DATA SEQUENCE STYIDPLPDL IHPRTGRLHT RFNQTATATG RLSSSDPNLQ NIPVRTPLGQ DATA SEQUENCE RIRRAFIAEE GWLLVALDYS QIELRVLAHL SGDENLIRVF QEGRDIHTET DATA SEQUENCE ASWMFGVPRE AVDPLMRRAA KTINFGVLYG MSAHRLSQEL AIPYEEAQAF DATA SEQUENCE IERYFQSFPK VRAWIEKTLE EGRRRGYVET LFGRRRYVPD LEARVKSVRE DATA SEQUENCE AAERMAFNMP VQGTAADLMK LAMVKLFPRL EEMGARMLLQ VHDELVLEAP DATA SEQUENCE KERAEAVARL AKEVMEGVYP LAVPLEVEVG IGEDWLSAK 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 293 A HA 0.000 nan 4.320 nan 0.000 0.244 293 A C 0.000 177.597 177.584 0.022 0.000 1.274 293 A CA 0.000 52.049 52.037 0.020 0.000 0.836 293 A CB 0.000 19.014 19.000 0.024 0.000 0.831 294 L N 2.102 123.337 121.223 0.019 0.000 2.265 294 L HA 0.689 5.035 4.340 0.009 0.000 0.288 294 L C 0.369 177.243 176.870 0.006 0.000 1.058 294 L CA 1.091 55.941 54.840 0.018 0.000 0.809 294 L CB 0.963 43.034 42.059 0.020 0.000 1.179 294 L HN 0.570 nan 8.230 nan 0.000 0.429 295 E N 3.562 123.762 120.200 -0.001 0.000 2.334 295 E HA 0.693 5.049 4.350 0.009 0.000 0.256 295 E C -1.112 175.464 176.600 -0.040 0.000 0.958 295 E CA -0.733 55.656 56.400 -0.018 0.000 0.821 295 E CB 1.009 30.697 29.700 -0.021 0.000 1.269 295 E HN 0.679 nan 8.360 nan 0.000 0.413 296 E N -0.766 119.400 120.200 -0.057 0.000 2.216 296 E HA 0.586 4.941 4.350 0.009 0.000 0.260 296 E C -1.022 175.497 176.600 -0.134 0.000 0.880 296 E CA -0.746 55.603 56.400 -0.084 0.000 0.765 296 E CB 1.927 31.604 29.700 -0.039 0.000 1.174 296 E HN 0.732 nan 8.360 nan 0.000 0.417 297 A N 3.953 126.600 122.820 -0.288 0.000 2.311 297 A HA 0.742 5.068 4.320 0.009 0.000 0.334 297 A C -2.511 174.964 177.584 -0.181 0.000 1.139 297 A CA -1.767 50.084 52.037 -0.310 0.000 0.830 297 A CB 0.585 19.245 19.000 -0.566 0.000 1.234 297 A HN 0.328 nan 8.150 nan 0.000 0.483 298 P HA -0.022 nan 4.420 nan 0.000 0.271 298 P C 1.054 178.507 177.300 0.256 0.000 1.216 298 P CA -0.361 62.802 63.100 0.106 0.000 0.776 298 P CB 0.369 32.118 31.700 0.083 0.000 0.881 299 W N 4.576 125.941 121.300 0.108 0.000 2.284 299 W HA -0.231 4.434 4.660 0.009 0.000 0.355 299 W C -1.554 175.064 176.519 0.164 0.000 1.501 299 W CA 0.859 58.291 57.345 0.145 0.000 1.448 299 W CB -2.251 27.251 29.460 0.069 0.000 1.045 299 W HN 0.343 nan 8.180 nan 0.000 0.470 300 P HA -0.058 nan 4.420 nan 0.000 0.245 300 P C -2.240 174.680 177.300 -0.633 0.000 1.123 300 P CA 0.289 62.961 63.100 -0.713 0.000 0.853 300 P CB 0.076 31.598 31.700 -0.296 0.000 0.786 301 P HA 0.367 nan 4.420 nan 0.000 0.285 301 P C -2.547 174.396 177.300 -0.595 0.000 1.269 301 P CA -2.356 60.081 63.100 -1.104 0.000 0.844 301 P CB 0.098 31.139 31.700 -1.097 0.000 1.094 302 P HA 0.222 nan 4.420 nan 0.000 0.278 302 P C 0.086 177.233 177.300 -0.254 0.000 1.238 302 P CA 0.054 63.000 63.100 -0.256 0.000 0.794 302 P CB 0.004 31.608 31.700 -0.160 0.000 0.955 303 E N 0.326 120.403 120.200 -0.205 0.000 2.459 303 E HA 0.298 4.654 4.350 0.009 0.000 0.264 303 E C 1.337 177.805 176.600 -0.221 0.000 1.055 303 E CA 0.314 56.596 56.400 -0.198 0.000 0.957 303 E CB -1.049 28.559 29.700 -0.154 0.000 0.952 303 E HN 0.943 nan 8.360 nan 0.000 0.448 304 G N -0.760 107.885 108.800 -0.259 0.000 2.162 304 G HA2 0.133 4.099 3.960 0.009 0.000 0.260 304 G HA3 0.133 4.099 3.960 0.009 0.000 0.260 304 G C 0.682 175.282 174.900 -0.500 0.000 0.976 304 G CA 0.854 45.743 45.100 -0.351 0.000 0.655 304 G HN 1.997 nan 8.290 nan 0.000 0.533 305 A N -0.484 122.103 122.820 -0.389 0.000 2.332 305 A HA 0.727 5.052 4.320 0.009 0.000 0.258 305 A C -0.047 177.292 177.584 -0.409 0.000 1.087 305 A CA -0.251 51.581 52.037 -0.343 0.000 0.802 305 A CB 0.336 19.203 19.000 -0.222 0.000 1.042 305 A HN 0.634 nan 8.150 nan 0.000 0.489 306 F N 1.412 121.343 119.950 -0.032 0.000 2.404 306 F HA 0.351 4.883 4.527 0.009 0.000 0.358 306 F C 0.644 176.486 175.800 0.070 0.000 1.120 306 F CA -0.158 57.841 58.000 -0.002 0.000 1.144 306 F CB 0.958 39.962 39.000 0.008 0.000 1.133 306 F HN 0.249 nan 8.300 nan 0.000 0.495 307 V N 2.798 122.849 119.914 0.228 0.000 2.963 307 V HA 0.494 4.620 4.120 0.009 0.000 0.306 307 V C 0.611 176.904 176.094 0.331 0.000 1.077 307 V CA -0.058 62.394 62.300 0.252 0.000 1.124 307 V CB 1.015 32.955 31.823 0.195 0.000 0.987 307 V HN 0.911 nan 8.190 nan 0.000 0.487 308 G N 3.587 112.586 108.800 0.330 0.000 2.741 308 G HA2 0.720 4.685 3.960 0.009 0.000 0.293 308 G HA3 0.720 4.685 3.960 0.009 0.000 0.293 308 G C -1.406 173.668 174.900 0.290 0.000 1.457 308 G CA -0.466 44.785 45.100 0.251 0.000 1.098 308 G HN 0.762 nan 8.290 nan 0.000 0.536 309 F N 0.200 120.150 119.950 0.000 0.000 2.686 309 F HA 0.843 5.375 4.527 0.009 0.000 0.311 309 F C -1.436 174.326 175.800 -0.064 0.000 1.128 309 F CA -1.813 56.159 58.000 -0.047 0.000 0.946 309 F CB 1.606 40.582 39.000 -0.039 0.000 1.336 309 F HN 0.412 nan 8.300 nan 0.000 0.457 310 V N 2.765 122.667 119.914 -0.020 0.000 2.577 310 V HA 0.552 4.677 4.120 0.009 0.000 0.303 310 V C -0.479 175.631 176.094 0.027 0.000 1.042 310 V CA -0.666 61.574 62.300 -0.100 0.000 0.872 310 V CB 1.457 33.206 31.823 -0.124 0.000 0.998 310 V HN 0.807 nan 8.190 nan 0.000 0.423 311 L N 2.840 124.093 121.223 0.050 0.000 2.334 311 L HA 0.485 4.830 4.340 0.009 0.000 0.270 311 L C 1.623 178.531 176.870 0.064 0.000 1.018 311 L CA -0.353 54.545 54.840 0.098 0.000 0.811 311 L CB 2.013 44.172 42.059 0.166 0.000 1.271 311 L HN 0.780 nan 8.230 nan 0.000 0.443 312 S N 0.752 116.499 115.700 0.080 0.000 2.447 312 S HA -0.002 4.473 4.470 0.009 0.000 0.233 312 S C 0.619 175.262 174.600 0.072 0.000 1.006 312 S CA 0.168 58.410 58.200 0.069 0.000 0.957 312 S CB -0.080 63.172 63.200 0.086 0.000 0.773 312 S HN 0.774 nan 8.310 nan 0.000 0.507 313 R N -0.425 120.133 120.500 0.097 0.000 2.766 313 R HA 0.443 4.788 4.340 0.009 0.000 0.270 313 R C 0.321 176.691 176.300 0.116 0.000 1.035 313 R CA -0.969 55.188 56.100 0.095 0.000 0.911 313 R CB 0.480 30.837 30.300 0.095 0.000 1.243 313 R HN -0.044 nan 8.270 nan 0.000 0.460 314 K N 0.534 120.996 120.400 0.103 0.000 2.057 314 K HA -0.090 4.235 4.320 0.009 0.000 0.207 314 K C -0.376 176.308 176.600 0.140 0.000 1.049 314 K CA 1.476 57.830 56.287 0.111 0.000 0.931 314 K CB -0.343 32.206 32.500 0.082 0.000 0.714 314 K HN 0.595 nan 8.250 nan 0.000 0.440 315 E N 2.813 123.114 120.200 0.168 0.000 2.220 315 E HA 0.062 4.417 4.350 0.009 0.000 0.272 315 E C -1.990 174.743 176.600 0.221 0.000 1.099 315 E CA -1.657 54.879 56.400 0.226 0.000 0.907 315 E CB 0.976 30.897 29.700 0.368 0.000 1.022 315 E HN 0.066 nan 8.360 nan 0.000 0.428 316 P HA -0.173 nan 4.420 nan 0.000 0.216 316 P C 0.963 178.283 177.300 0.034 0.000 1.150 316 P CA 1.117 64.278 63.100 0.102 0.000 0.837 316 P CB 0.196 31.934 31.700 0.064 0.000 0.786 317 M N -3.232 116.355 119.600 -0.023 0.000 2.492 317 M HA -0.031 4.455 4.480 0.009 0.000 0.262 317 M C 1.193 177.322 176.300 -0.286 0.000 1.090 317 M CA 1.335 56.471 55.300 -0.273 0.000 1.110 317 M CB -1.049 31.270 32.600 -0.468 0.000 1.407 317 M HN 0.082 nan 8.290 nan 0.000 0.470 318 W N -0.379 120.980 121.300 0.099 0.000 2.842 318 W HA 0.370 5.035 4.660 0.009 0.000 0.267 318 W C 1.226 177.807 176.519 0.104 0.000 1.219 318 W CA -0.084 57.340 57.345 0.130 0.000 1.458 318 W CB -0.057 29.467 29.460 0.107 0.000 1.006 318 W HN -0.029 nan 8.180 nan 0.000 0.603 319 A N 1.049 124.049 122.820 0.300 0.000 2.386 319 A HA 0.196 4.521 4.320 0.009 0.000 0.246 319 A C -0.615 177.089 177.584 0.199 0.000 1.089 319 A CA 0.321 52.490 52.037 0.219 0.000 0.790 319 A CB -0.021 19.088 19.000 0.182 0.000 1.042 319 A HN 0.096 nan 8.150 nan 0.000 0.497 320 D N 0.229 120.737 120.400 0.180 0.000 2.308 320 D HA 0.311 4.957 4.640 0.009 0.000 0.242 320 D C -0.556 175.798 176.300 0.089 0.000 1.059 320 D CA -0.312 53.821 54.000 0.222 0.000 0.830 320 D CB 0.755 41.675 40.800 0.201 0.000 1.161 320 D HN 0.370 nan 8.370 nan 0.000 0.494 321 L N 5.995 127.146 121.223 -0.119 0.000 2.617 321 L HA 0.079 4.424 4.340 0.009 0.000 0.282 321 L C 0.978 177.682 176.870 -0.276 0.000 1.174 321 L CA -0.077 54.533 54.840 -0.383 0.000 1.016 321 L CB 0.172 41.647 42.059 -0.974 0.000 1.337 321 L HN 0.635 nan 8.230 nan 0.000 0.460 322 L N 4.155 125.324 121.223 -0.090 0.000 2.179 322 L HA 0.103 4.449 4.340 0.009 0.000 0.208 322 L C 0.829 177.649 176.870 -0.084 0.000 1.096 322 L CA 0.501 55.308 54.840 -0.054 0.000 0.779 322 L CB -0.156 41.889 42.059 -0.023 0.000 0.922 322 L HN 0.698 nan 8.230 nan 0.000 0.443 323 A N -0.249 122.516 122.820 -0.091 0.000 2.566 323 A HA 0.625 4.950 4.320 0.009 0.000 0.297 323 A C -1.538 176.000 177.584 -0.076 0.000 1.059 323 A CA -0.337 51.639 52.037 -0.101 0.000 0.691 323 A CB 1.631 20.581 19.000 -0.083 0.000 1.282 323 A HN -0.016 nan 8.150 nan 0.000 0.401 324 L N 1.629 122.763 121.223 -0.148 0.000 2.438 324 L HA 0.838 5.184 4.340 0.009 0.000 0.270 324 L C -0.200 176.564 176.870 -0.176 0.000 0.972 324 L CA -0.375 54.382 54.840 -0.138 0.000 0.831 324 L CB 1.734 43.624 42.059 -0.282 0.000 1.273 324 L HN 1.235 nan 8.230 nan 0.000 0.405 325 A N 3.616 126.455 122.820 0.032 0.000 2.552 325 A HA 1.032 5.357 4.320 0.009 0.000 0.288 325 A C -1.548 176.241 177.584 0.341 0.000 1.193 325 A CA -0.064 52.078 52.037 0.176 0.000 0.713 325 A CB 2.005 21.082 19.000 0.128 0.000 1.305 325 A HN 0.934 nan 8.150 nan 0.000 0.424 326 A N -1.272 121.789 122.820 0.401 0.000 2.604 326 A HA 0.911 5.236 4.320 0.009 0.000 0.295 326 A C -0.743 177.023 177.584 0.303 0.000 1.067 326 A CA 0.078 52.300 52.037 0.309 0.000 0.683 326 A CB 1.131 20.258 19.000 0.210 0.000 1.281 326 A HN 2.540 nan 8.150 nan 0.000 0.407 327 A N 1.349 124.326 122.820 0.261 0.000 2.381 327 A HA 0.891 5.217 4.320 0.009 0.000 0.299 327 A C -0.629 177.113 177.584 0.264 0.000 1.049 327 A CA -0.531 51.666 52.037 0.268 0.000 0.715 327 A CB 1.345 20.482 19.000 0.228 0.000 1.222 327 A HN 0.763 nan 8.150 nan 0.000 0.428 328 R N 1.256 121.889 120.500 0.222 0.000 2.566 328 R HA 0.582 4.928 4.340 0.009 0.000 0.271 328 R C 0.643 177.031 176.300 0.146 0.000 1.071 328 R CA 0.722 56.920 56.100 0.164 0.000 0.915 328 R CB 1.587 31.911 30.300 0.040 0.000 1.228 328 R HN 2.212 nan 8.270 nan 0.000 0.449 329 G N 2.319 111.193 108.800 0.123 0.000 2.720 329 G HA2 -0.355 3.610 3.960 0.009 0.000 0.293 329 G HA3 -0.355 3.610 3.960 0.009 0.000 0.293 329 G C 0.473 175.426 174.900 0.088 0.000 1.256 329 G CA 0.475 45.630 45.100 0.091 0.000 0.974 329 G HN 0.911 nan 8.290 nan 0.000 0.551 330 G N -0.412 108.432 108.800 0.074 0.000 3.443 330 G HA2 0.683 4.649 3.960 0.009 0.000 0.252 330 G HA3 0.683 4.649 3.960 0.009 0.000 0.252 330 G C 0.580 175.510 174.900 0.050 0.000 1.015 330 G CA 1.502 46.637 45.100 0.058 0.000 0.891 330 G HN 1.448 nan 8.290 nan 0.000 0.510 331 R N -0.313 120.222 120.500 0.058 0.000 2.549 331 R HA 0.882 5.227 4.340 0.009 0.000 0.259 331 R C -0.952 175.380 176.300 0.053 0.000 1.095 331 R CA -0.409 55.698 56.100 0.011 0.000 1.148 331 R CB 0.943 31.211 30.300 -0.054 0.000 1.181 331 R HN 0.373 nan 8.270 nan 0.000 0.571 332 V N 1.510 121.398 119.914 -0.043 0.000 2.711 332 V HA 0.372 4.497 4.120 0.009 0.000 0.304 332 V C -1.621 174.464 176.094 -0.015 0.000 1.097 332 V CA -0.868 61.483 62.300 0.085 0.000 0.906 332 V CB 1.732 33.605 31.823 0.084 0.000 1.015 332 V HN 1.025 nan 8.190 nan 0.000 0.427 333 H N 3.675 122.843 119.070 0.163 0.000 2.476 333 H HA 0.639 5.200 4.556 0.009 0.000 0.328 333 H C -0.124 175.430 175.328 0.376 0.000 1.073 333 H CA -0.585 55.624 56.048 0.269 0.000 1.229 333 H CB 0.953 30.861 29.762 0.244 0.000 1.432 333 H HN 0.388 nan 8.280 nan 0.000 0.477 334 R N 2.132 122.847 120.500 0.357 0.000 2.288 334 R HA 0.565 4.910 4.340 0.009 0.000 0.326 334 R C -0.511 175.808 176.300 0.033 0.000 0.959 334 R CA -0.937 55.252 56.100 0.150 0.000 0.834 334 R CB 1.647 31.981 30.300 0.058 0.000 1.157 334 R HN 0.708 nan 8.270 nan 0.000 0.470 335 A N 5.346 127.911 122.820 -0.425 0.000 2.451 335 A HA 0.204 4.529 4.320 0.009 0.000 0.266 335 A C -1.259 176.076 177.584 -0.416 0.000 1.119 335 A CA -1.122 50.367 52.037 -0.913 0.000 0.786 335 A CB 0.143 18.028 19.000 -1.858 0.000 1.061 335 A HN 0.526 nan 8.150 nan 0.000 0.503 336 P HA -0.087 nan 4.420 nan 0.000 0.221 336 P C 0.089 177.315 177.300 -0.124 0.000 1.150 336 P CA 1.197 64.228 63.100 -0.116 0.000 0.800 336 P CB 0.326 32.004 31.700 -0.037 0.000 0.787 337 E N -0.134 119.963 120.200 -0.173 0.000 2.593 337 E HA 0.165 4.521 4.350 0.009 0.000 0.232 337 E C -1.908 174.582 176.600 -0.184 0.000 1.026 337 E CA -2.152 54.181 56.400 -0.112 0.000 0.772 337 E CB 1.462 31.136 29.700 -0.042 0.000 1.310 337 E HN 0.083 nan 8.360 nan 0.000 0.413 338 P HA -0.262 nan 4.420 nan 0.000 0.214 338 P C 1.043 178.209 177.300 -0.223 0.000 1.172 338 P CA 1.554 64.472 63.100 -0.303 0.000 0.925 338 P CB 0.032 31.542 31.700 -0.316 0.000 0.793 339 Y N 0.601 120.842 120.300 -0.098 0.000 2.069 339 Y HA -0.233 4.322 4.550 0.009 0.000 0.278 339 Y C 2.825 178.693 175.900 -0.054 0.000 1.175 339 Y CA 2.006 60.067 58.100 -0.066 0.000 1.134 339 Y CB -1.063 37.370 38.460 -0.046 0.000 0.965 339 Y HN -0.013 nan 8.280 nan 0.000 0.498 340 K N 0.589 121.056 120.400 0.112 0.000 2.097 340 K HA -0.147 4.178 4.320 0.009 0.000 0.205 340 K C 2.120 178.760 176.600 0.066 0.000 1.050 340 K CA 1.268 57.597 56.287 0.071 0.000 0.938 340 K CB -0.351 32.180 32.500 0.052 0.000 0.718 340 K HN 0.287 nan 8.250 nan 0.000 0.442 341 A N 1.679 124.486 122.820 -0.021 0.000 2.067 341 A HA -0.057 4.269 4.320 0.009 0.000 0.219 341 A C 2.146 179.845 177.584 0.191 0.000 1.158 341 A CA 0.692 52.755 52.037 0.043 0.000 0.661 341 A CB -0.416 18.180 19.000 -0.674 0.000 0.801 341 A HN 0.361 nan 8.150 nan 0.000 0.452 342 L N -1.292 119.962 121.223 0.051 0.000 2.191 342 L HA -0.162 4.183 4.340 0.009 0.000 0.212 342 L C 2.596 179.509 176.870 0.071 0.000 1.103 342 L CA 1.114 55.980 54.840 0.043 0.000 0.769 342 L CB -0.209 41.839 42.059 -0.018 0.000 0.908 342 L HN 0.291 nan 8.230 nan 0.000 0.438 343 R N -0.202 120.350 120.500 0.087 0.000 2.237 343 R HA -0.115 4.231 4.340 0.009 0.000 0.219 343 R C 1.634 177.976 176.300 0.071 0.000 1.080 343 R CA 0.837 56.977 56.100 0.067 0.000 0.995 343 R CB -0.268 30.071 30.300 0.065 0.000 0.875 343 R HN 0.365 nan 8.270 nan 0.000 0.462 344 D N -0.143 120.335 120.400 0.129 0.000 2.213 344 D HA -0.013 4.632 4.640 0.009 0.000 0.205 344 D C 0.296 176.599 176.300 0.006 0.000 0.961 344 D CA 0.476 54.523 54.000 0.078 0.000 0.853 344 D CB 0.135 41.017 40.800 0.137 0.000 0.967 344 D HN 0.163 nan 8.370 nan 0.000 0.496 345 L N 0.825 122.074 121.223 0.043 0.000 2.453 345 L HA 0.162 4.507 4.340 0.009 0.000 0.272 345 L C 1.776 178.619 176.870 -0.045 0.000 1.182 345 L CA -0.138 54.692 54.840 -0.016 0.000 0.858 345 L CB 0.557 42.623 42.059 0.013 0.000 1.120 345 L HN -0.092 nan 8.230 nan 0.000 0.474 346 K N 3.130 123.484 120.400 -0.077 0.000 2.356 346 K HA 0.120 4.446 4.320 0.009 0.000 0.195 346 K C 0.494 177.048 176.600 -0.077 0.000 1.037 346 K CA 0.988 57.231 56.287 -0.074 0.000 1.014 346 K CB 0.170 32.616 32.500 -0.089 0.000 0.815 346 K HN 0.860 nan 8.250 nan 0.000 0.507 347 E N -2.252 117.895 120.200 -0.088 0.000 2.392 347 E HA 0.503 4.859 4.350 0.009 0.000 0.281 347 E C -1.939 174.603 176.600 -0.097 0.000 1.088 347 E CA -0.380 55.964 56.400 -0.093 0.000 0.850 347 E CB 0.962 30.598 29.700 -0.106 0.000 1.267 347 E HN 0.143 nan 8.360 nan 0.000 0.438 348 A N 2.961 125.727 122.820 -0.091 0.000 2.280 348 A HA 0.595 4.921 4.320 0.009 0.000 0.320 348 A C -0.593 176.965 177.584 -0.044 0.000 1.366 348 A CA -0.656 51.338 52.037 -0.072 0.000 0.938 348 A CB 0.135 19.075 19.000 -0.099 0.000 1.157 348 A HN 0.450 nan 8.150 nan 0.000 0.536 349 R N 2.392 122.866 120.500 -0.043 0.000 2.393 349 R HA 0.758 5.104 4.340 0.009 0.000 0.315 349 R C 0.152 176.561 176.300 0.182 0.000 0.952 349 R CA -0.187 55.901 56.100 -0.020 0.000 0.842 349 R CB 1.830 31.975 30.300 -0.259 0.000 1.163 349 R HN 1.127 nan 8.270 nan 0.000 0.450 350 G N 1.515 110.462 108.800 0.244 0.000 2.356 350 G HA2 0.096 4.061 3.960 0.009 0.000 0.300 350 G HA3 0.096 4.061 3.960 0.009 0.000 0.300 350 G C -1.632 173.431 174.900 0.271 0.000 1.331 350 G CA -1.248 44.041 45.100 0.314 0.000 0.905 350 G HN 0.235 nan 8.290 nan 0.000 0.587 351 L N 1.137 122.516 121.223 0.261 0.000 2.578 351 L HA 0.238 4.584 4.340 0.009 0.000 0.279 351 L C 1.612 178.626 176.870 0.241 0.000 1.227 351 L CA 0.714 55.667 54.840 0.190 0.000 0.900 351 L CB -0.558 41.597 42.059 0.160 0.000 1.144 351 L HN 0.940 nan 8.230 nan 0.000 0.496 352 L N 2.619 123.940 121.223 0.162 0.000 3.597 352 L HA -0.323 4.023 4.340 0.009 0.000 0.440 352 L C 1.578 178.636 176.870 0.313 0.000 1.277 352 L CA 0.400 55.366 54.840 0.210 0.000 0.852 352 L CB -1.955 40.233 42.059 0.215 0.000 1.708 352 L HN 0.797 nan 8.230 nan 0.000 0.885 353 A N 0.541 123.489 122.820 0.213 0.000 1.865 353 A HA -0.230 4.095 4.320 0.009 0.000 0.217 353 A C 2.248 179.855 177.584 0.039 0.000 1.191 353 A CA 2.104 54.218 52.037 0.129 0.000 0.623 353 A CB -0.298 18.753 19.000 0.084 0.000 0.826 353 A HN 0.649 nan 8.150 nan 0.000 0.444 354 K N -0.602 119.821 120.400 0.037 0.000 2.113 354 K HA -0.271 4.054 4.320 0.009 0.000 0.208 354 K C 1.322 177.917 176.600 -0.008 0.000 1.047 354 K CA 2.037 58.319 56.287 -0.009 0.000 0.928 354 K CB -0.329 32.172 32.500 0.003 0.000 0.716 354 K HN 0.398 nan 8.250 nan 0.000 0.446 355 D N 0.772 121.213 120.400 0.067 0.000 2.097 355 D HA -0.165 4.481 4.640 0.009 0.000 0.195 355 D C 1.779 178.061 176.300 -0.029 0.000 0.989 355 D CA 0.929 54.985 54.000 0.094 0.000 0.827 355 D CB -0.143 40.809 40.800 0.254 0.000 0.966 355 D HN 0.219 nan 8.370 nan 0.000 0.456 356 L N 0.062 121.142 121.223 -0.238 0.000 2.291 356 L HA -0.006 4.339 4.340 0.009 0.000 0.214 356 L C 1.943 178.620 176.870 -0.322 0.000 1.120 356 L CA 1.325 55.812 54.840 -0.588 0.000 0.799 356 L CB -0.448 40.803 42.059 -1.346 0.000 0.925 356 L HN -0.073 nan 8.230 nan 0.000 0.446 357 S N -1.756 113.812 115.700 -0.220 0.000 2.461 357 S HA -0.057 4.418 4.470 0.009 0.000 0.228 357 S C 1.797 176.295 174.600 -0.170 0.000 1.005 357 S CA 1.085 59.177 58.200 -0.181 0.000 0.942 357 S CB -0.273 62.832 63.200 -0.158 0.000 0.776 357 S HN 0.291 nan 8.310 nan 0.000 0.514 358 V N 1.553 121.383 119.914 -0.140 0.000 2.488 358 V HA 0.017 4.143 4.120 0.009 0.000 0.246 358 V C 2.344 178.356 176.094 -0.136 0.000 1.046 358 V CA 1.543 63.766 62.300 -0.128 0.000 1.053 358 V CB -0.553 31.226 31.823 -0.074 0.000 0.679 358 V HN 0.535 nan 8.190 nan 0.000 0.458 359 L N 0.309 121.459 121.223 -0.122 0.000 2.046 359 L HA -0.127 4.218 4.340 0.009 0.000 0.208 359 L C 2.533 179.346 176.870 -0.096 0.000 1.077 359 L CA 1.935 56.715 54.840 -0.101 0.000 0.747 359 L CB -0.509 41.493 42.059 -0.095 0.000 0.896 359 L HN 0.284 nan 8.230 nan 0.000 0.432 360 A N -0.028 122.720 122.820 -0.120 0.000 1.865 360 A HA -0.224 4.101 4.320 0.009 0.000 0.217 360 A C 2.186 179.720 177.584 -0.084 0.000 1.191 360 A CA 2.072 54.053 52.037 -0.094 0.000 0.623 360 A CB -1.013 17.919 19.000 -0.113 0.000 0.826 360 A HN 0.498 nan 8.150 nan 0.000 0.444 361 L N -0.712 120.443 121.223 -0.113 0.000 2.079 361 L HA -0.207 4.138 4.340 0.009 0.000 0.210 361 L C 2.803 179.611 176.870 -0.103 0.000 1.081 361 L CA 1.792 56.572 54.840 -0.101 0.000 0.752 361 L CB -0.556 41.423 42.059 -0.133 0.000 0.896 361 L HN 0.555 nan 8.230 nan 0.000 0.433 362 R N 0.485 120.900 120.500 -0.141 0.000 2.193 362 R HA -0.188 4.157 4.340 0.009 0.000 0.229 362 R C 1.481 177.714 176.300 -0.112 0.000 1.110 362 R CA 1.374 57.365 56.100 -0.183 0.000 0.988 362 R CB 0.040 30.192 30.300 -0.247 0.000 0.871 362 R HN 0.163 nan 8.270 nan 0.000 0.458 363 E N -0.635 119.527 120.200 -0.063 0.000 2.463 363 E HA 0.148 4.504 4.350 0.009 0.000 0.193 363 E C 0.472 177.058 176.600 -0.023 0.000 1.041 363 E CA 0.553 56.938 56.400 -0.025 0.000 0.879 363 E CB 0.617 30.337 29.700 0.033 0.000 0.997 363 E HN 0.562 nan 8.360 nan 0.000 0.478 364 G N -0.036 108.744 108.800 -0.033 0.000 2.176 364 G HA2 -0.232 3.734 3.960 0.009 0.000 0.253 364 G HA3 -0.232 3.734 3.960 0.009 0.000 0.253 364 G C -0.261 174.633 174.900 -0.010 0.000 0.979 364 G CA 0.249 45.337 45.100 -0.019 0.000 0.641 364 G HN 0.120 nan 8.290 nan 0.000 0.530 365 L N 1.040 122.253 121.223 -0.017 0.000 2.307 365 L HA 0.699 5.044 4.340 0.009 0.000 0.282 365 L C 1.221 178.078 176.870 -0.023 0.000 1.051 365 L CA -0.417 54.413 54.840 -0.015 0.000 0.804 365 L CB 1.178 43.226 42.059 -0.018 0.000 1.197 365 L HN 0.238 nan 8.230 nan 0.000 0.431 366 G N 3.256 112.052 108.800 -0.007 0.000 3.506 366 G HA2 0.330 4.295 3.960 0.009 0.000 0.268 366 G HA3 0.330 4.295 3.960 0.009 0.000 0.268 366 G C -0.270 174.614 174.900 -0.026 0.000 0.959 366 G CA -0.183 44.919 45.100 0.003 0.000 1.823 366 G HN 0.410 nan 8.290 nan 0.000 0.615 367 L N 3.563 124.748 121.223 -0.062 0.000 2.312 367 L HA 0.433 4.778 4.340 0.009 0.000 0.287 367 L C -2.010 174.799 176.870 -0.101 0.000 1.091 367 L CA -2.520 52.274 54.840 -0.076 0.000 0.846 367 L CB 0.900 42.905 42.059 -0.089 0.000 1.219 367 L HN 0.085 nan 8.230 nan 0.000 0.439 368 P HA 0.362 nan 4.420 nan 0.000 0.282 368 P C -2.910 174.336 177.300 -0.090 0.000 1.249 368 P CA -1.896 61.152 63.100 -0.087 0.000 0.806 368 P CB 0.572 32.248 31.700 -0.039 0.000 0.984 369 P HA 0.243 nan 4.420 nan 0.000 0.285 369 P C 0.127 177.390 177.300 -0.062 0.000 1.259 369 P CA 0.193 63.250 63.100 -0.071 0.000 0.794 369 P CB 1.343 33.005 31.700 -0.062 0.000 0.940 370 G N 2.060 110.827 108.800 -0.054 0.000 3.310 370 G HA2 0.204 4.170 3.960 0.009 0.000 0.176 370 G HA3 0.204 4.170 3.960 0.009 0.000 0.176 370 G C -0.548 174.351 174.900 -0.002 0.000 1.307 370 G CA -0.367 44.698 45.100 -0.059 0.000 0.935 370 G HN 0.365 nan 8.290 nan 0.000 0.628 371 D N 0.856 121.253 120.400 -0.007 0.000 2.506 371 D HA 0.300 4.945 4.640 0.009 0.000 0.234 371 D C -0.857 175.549 176.300 0.177 0.000 1.143 371 D CA 0.948 55.030 54.000 0.136 0.000 0.871 371 D CB 1.355 42.017 40.800 -0.230 0.000 1.190 371 D HN 0.248 nan 8.370 nan 0.000 0.459 372 D N 1.313 121.937 120.400 0.373 0.000 2.613 372 D HA 0.152 4.798 4.640 0.009 0.000 0.230 372 D C -2.100 174.423 176.300 0.371 0.000 1.365 372 D CA -1.666 52.520 54.000 0.311 0.000 0.976 372 D CB 1.911 42.847 40.800 0.227 0.000 1.415 372 D HN -0.081 nan 8.370 nan 0.000 0.589 373 P HA -0.175 nan 4.420 nan 0.000 0.218 373 P C 1.748 179.107 177.300 0.098 0.000 1.146 373 P CA 0.838 64.072 63.100 0.223 0.000 0.813 373 P CB 0.206 32.005 31.700 0.166 0.000 0.778 374 M N -1.161 118.505 119.600 0.111 0.000 2.159 374 M HA -0.082 4.403 4.480 0.009 0.000 0.263 374 M C 2.310 178.696 176.300 0.143 0.000 1.063 374 M CA 1.382 56.726 55.300 0.075 0.000 1.110 374 M CB -1.333 31.282 32.600 0.025 0.000 1.374 374 M HN 0.014 nan 8.290 nan 0.000 0.411 375 L N -0.606 120.747 121.223 0.216 0.000 2.056 375 L HA -0.190 4.156 4.340 0.009 0.000 0.207 375 L C 2.462 179.498 176.870 0.276 0.000 1.078 375 L CA 0.864 55.900 54.840 0.326 0.000 0.749 375 L CB -0.745 41.597 42.059 0.472 0.000 0.901 375 L HN 0.267 nan 8.230 nan 0.000 0.433 376 L N -0.016 121.265 121.223 0.096 0.000 1.989 376 L HA -0.234 4.111 4.340 0.009 0.000 0.211 376 L C 2.921 179.724 176.870 -0.112 0.000 1.071 376 L CA 1.525 56.273 54.840 -0.152 0.000 0.749 376 L CB -0.803 41.074 42.059 -0.304 0.000 0.890 376 L HN 0.271 nan 8.230 nan 0.000 0.431 377 A N -0.916 121.839 122.820 -0.107 0.000 1.898 377 A HA -0.281 4.044 4.320 0.009 0.000 0.216 377 A C 2.184 179.813 177.584 0.075 0.000 1.181 377 A CA 1.401 53.369 52.037 -0.116 0.000 0.620 377 A CB -0.924 18.001 19.000 -0.125 0.000 0.819 377 A HN 0.473 nan 8.150 nan 0.000 0.442 378 Y N 0.503 120.813 120.300 0.016 0.000 2.207 378 Y HA -0.165 4.390 4.550 0.009 0.000 0.287 378 Y C 1.872 177.809 175.900 0.062 0.000 1.156 378 Y CA 1.684 59.816 58.100 0.054 0.000 1.182 378 Y CB -0.302 38.200 38.460 0.071 0.000 0.979 378 Y HN 0.227 nan 8.280 nan 0.000 0.521 379 L N -0.963 120.275 121.223 0.025 0.000 2.156 379 L HA -0.196 4.149 4.340 0.009 0.000 0.208 379 L C 2.375 179.199 176.870 -0.076 0.000 1.095 379 L CA 0.820 55.625 54.840 -0.059 0.000 0.770 379 L CB -0.432 41.660 42.059 0.055 0.000 0.914 379 L HN 0.258 nan 8.230 nan 0.000 0.439 380 L N -1.013 120.179 121.223 -0.053 0.000 2.093 380 L HA -0.078 4.267 4.340 0.009 0.000 0.208 380 L C 0.282 177.178 176.870 0.044 0.000 1.085 380 L CA 0.879 55.700 54.840 -0.031 0.000 0.755 380 L CB 0.001 42.032 42.059 -0.046 0.000 0.904 380 L HN 0.226 nan 8.230 nan 0.000 0.435 381 D N -1.687 118.734 120.400 0.034 0.000 2.452 381 D HA 0.133 4.779 4.640 0.009 0.000 0.226 381 D C -2.164 174.145 176.300 0.015 0.000 1.366 381 D CA -1.527 52.522 54.000 0.082 0.000 0.986 381 D CB 1.621 42.436 40.800 0.025 0.000 1.420 381 D HN -0.247 nan 8.370 nan 0.000 0.583 382 P HA -0.084 nan 4.420 nan 0.000 0.236 382 P C 0.883 178.259 177.300 0.127 0.000 1.172 382 P CA 0.552 63.540 63.100 -0.188 0.000 0.759 382 P CB 0.021 31.554 31.700 -0.278 0.000 0.843 383 S N -2.291 113.475 115.700 0.110 0.000 2.593 383 S HA 0.060 4.536 4.470 0.009 0.000 0.217 383 S C 0.836 175.506 174.600 0.118 0.000 0.966 383 S CA -0.352 57.913 58.200 0.109 0.000 0.914 383 S CB -0.880 62.361 63.200 0.068 0.000 0.776 383 S HN -0.037 nan 8.310 nan 0.000 0.523 384 N N 2.938 121.740 118.700 0.169 0.000 2.602 384 N HA 0.219 4.964 4.740 0.009 0.000 0.238 384 N C 0.566 176.193 175.510 0.195 0.000 1.084 384 N CA 0.352 53.505 53.050 0.172 0.000 0.952 384 N CB 1.416 40.031 38.487 0.212 0.000 1.244 384 N HN 0.619 nan 8.380 nan 0.000 0.512 385 T N -3.169 111.447 114.554 0.102 0.000 3.004 385 T HA 0.091 4.446 4.350 0.009 0.000 0.266 385 T C 0.701 175.377 174.700 -0.039 0.000 0.986 385 T CA -0.067 62.058 62.100 0.042 0.000 0.902 385 T CB 0.149 69.046 68.868 0.048 0.000 1.118 385 T HN 0.335 nan 8.240 nan 0.000 0.522 386 T N -0.588 113.930 114.554 -0.059 0.000 2.907 386 T HA 0.580 4.936 4.350 0.009 0.000 0.292 386 T C -2.336 172.220 174.700 -0.239 0.000 1.043 386 T CA -1.841 60.169 62.100 -0.149 0.000 1.003 386 T CB 2.456 71.251 68.868 -0.123 0.000 1.084 386 T HN -0.274 nan 8.240 nan 0.000 0.483 387 P HA -0.090 nan 4.420 nan 0.000 0.215 387 P C 1.085 178.112 177.300 -0.455 0.000 1.157 387 P CA 1.241 63.920 63.100 -0.703 0.000 0.863 387 P CB 0.205 30.848 31.700 -1.763 0.000 0.787 388 E N 0.135 120.070 120.200 -0.442 0.000 2.086 388 E HA -0.185 4.171 4.350 0.009 0.000 0.205 388 E C 2.396 178.981 176.600 -0.025 0.000 1.027 388 E CA 2.177 58.523 56.400 -0.089 0.000 0.830 388 E CB -1.402 28.285 29.700 -0.023 0.000 0.751 388 E HN 0.333 nan 8.360 nan 0.000 0.456 389 G N -0.204 108.566 108.800 -0.049 0.000 2.403 389 G HA2 -0.171 3.795 3.960 0.009 0.000 0.216 389 G HA3 -0.171 3.795 3.960 0.009 0.000 0.216 389 G C 1.708 176.614 174.900 0.009 0.000 1.154 389 G CA 0.634 45.723 45.100 -0.019 0.000 0.784 389 G HN 0.178 nan 8.290 nan 0.000 0.538 390 V N 1.408 121.346 119.914 0.040 0.000 2.490 390 V HA -0.098 4.027 4.120 0.009 0.000 0.250 390 V C 3.228 179.451 176.094 0.216 0.000 1.061 390 V CA 1.908 64.323 62.300 0.192 0.000 1.064 390 V CB -0.496 31.404 31.823 0.129 0.000 0.670 390 V HN 0.461 nan 8.190 nan 0.000 0.461 391 A N 0.281 123.164 122.820 0.105 0.000 1.897 391 A HA -0.124 4.201 4.320 0.009 0.000 0.215 391 A C 2.519 180.153 177.584 0.083 0.000 1.181 391 A CA 1.913 54.026 52.037 0.127 0.000 0.620 391 A CB -0.577 18.523 19.000 0.168 0.000 0.821 391 A HN 0.489 nan 8.150 nan 0.000 0.443 392 R N 0.199 120.723 120.500 0.039 0.000 2.115 392 R HA -0.019 4.327 4.340 0.009 0.000 0.226 392 R C 2.219 178.475 176.300 -0.074 0.000 1.100 392 R CA 1.853 57.952 56.100 -0.003 0.000 0.980 392 R CB -0.936 29.359 30.300 -0.008 0.000 0.875 392 R HN 0.686 nan 8.270 nan 0.000 0.445 393 R N -1.362 119.048 120.500 -0.150 0.000 2.161 393 R HA 0.037 4.382 4.340 0.009 0.000 0.213 393 R C 0.569 176.529 176.300 -0.567 0.000 1.055 393 R CA 1.303 57.160 56.100 -0.404 0.000 0.996 393 R CB 0.005 29.948 30.300 -0.596 0.000 0.901 393 R HN 0.546 nan 8.270 nan 0.000 0.456 394 Y N -1.224 119.068 120.300 -0.013 0.000 2.612 394 Y HA 0.438 4.993 4.550 0.009 0.000 0.250 394 Y C 0.434 176.331 175.900 -0.005 0.000 1.175 394 Y CA -0.113 57.978 58.100 -0.015 0.000 1.205 394 Y CB 1.774 40.222 38.460 -0.020 0.000 1.201 394 Y HN 0.222 nan 8.280 nan 0.000 0.532 395 G N -0.382 108.477 108.800 0.098 0.000 2.441 395 G HA2 0.337 4.302 3.960 0.009 0.000 0.139 395 G HA3 0.337 4.302 3.960 0.009 0.000 0.139 395 G C 0.028 174.970 174.900 0.070 0.000 1.067 395 G CA -0.249 44.896 45.100 0.074 0.000 0.766 395 G HN 0.802 nan 8.290 nan 0.000 0.484 396 G N -1.088 107.753 108.800 0.068 0.000 2.317 396 G HA2 0.594 4.559 3.960 0.009 0.000 0.293 396 G HA3 0.594 4.559 3.960 0.009 0.000 0.293 396 G C -1.722 173.229 174.900 0.085 0.000 1.287 396 G CA 0.126 45.270 45.100 0.074 0.000 0.850 396 G HN 0.624 nan 8.290 nan 0.000 0.515 397 E N -0.150 120.109 120.200 0.098 0.000 2.275 397 E HA 0.269 4.625 4.350 0.009 0.000 0.270 397 E C -1.238 175.467 176.600 0.176 0.000 0.882 397 E CA -0.873 55.596 56.400 0.117 0.000 0.758 397 E CB 1.924 31.662 29.700 0.064 0.000 1.195 397 E HN 0.583 nan 8.360 nan 0.000 0.419 398 W N 6.785 128.083 121.300 -0.004 0.000 2.485 398 W HA 0.116 4.782 4.660 0.009 0.000 0.315 398 W C -0.381 176.126 176.519 -0.021 0.000 1.304 398 W CA 0.011 57.347 57.345 -0.014 0.000 1.345 398 W CB 0.747 30.199 29.460 -0.013 0.000 1.368 398 W HN 0.609 nan 8.180 nan 0.000 0.497 399 T N 1.563 115.883 114.554 -0.390 0.000 2.819 399 T HA 0.297 4.652 4.350 0.009 0.000 0.271 399 T C 0.499 174.852 174.700 -0.578 0.000 0.986 399 T CA -0.457 61.424 62.100 -0.364 0.000 0.989 399 T CB 1.752 70.493 68.868 -0.212 0.000 1.396 399 T HN 0.416 nan 8.240 nan 0.000 0.597 400 E N -0.222 119.764 120.200 -0.356 0.000 2.498 400 E HA 0.206 4.562 4.350 0.009 0.000 0.203 400 E C -0.006 176.434 176.600 -0.268 0.000 1.013 400 E CA -0.047 56.156 56.400 -0.329 0.000 0.927 400 E CB 0.486 30.069 29.700 -0.196 0.000 1.012 400 E HN 0.583 nan 8.360 nan 0.000 0.482 401 E N 0.728 120.784 120.200 -0.242 0.000 2.200 401 E HA 0.317 4.672 4.350 0.009 0.000 0.283 401 E C 0.573 177.060 176.600 -0.189 0.000 1.015 401 E CA -0.214 56.084 56.400 -0.170 0.000 0.819 401 E CB 1.598 31.229 29.700 -0.115 0.000 1.081 401 E HN 0.000 nan 8.360 nan 0.000 0.397 402 A N 4.266 126.999 122.820 -0.146 0.000 1.908 402 A HA -0.160 4.166 4.320 0.009 0.000 0.218 402 A C 1.927 179.488 177.584 -0.039 0.000 1.181 402 A CA 1.937 53.910 52.037 -0.107 0.000 0.627 402 A CB -0.759 18.211 19.000 -0.050 0.000 0.818 402 A HN 0.753 nan 8.150 nan 0.000 0.445 403 G N -0.429 108.360 108.800 -0.019 0.000 2.446 403 G HA2 -0.248 3.718 3.960 0.009 0.000 0.217 403 G HA3 -0.248 3.718 3.960 0.009 0.000 0.217 403 G C 1.410 176.320 174.900 0.018 0.000 1.168 403 G CA 1.087 46.205 45.100 0.028 0.000 0.771 403 G HN 0.660 nan 8.290 nan 0.000 0.551 404 E N -0.152 120.030 120.200 -0.030 0.000 2.150 404 E HA -0.041 4.315 4.350 0.009 0.000 0.193 404 E C 2.672 179.254 176.600 -0.031 0.000 0.985 404 E CA 0.414 56.795 56.400 -0.032 0.000 0.814 404 E CB -0.060 29.600 29.700 -0.067 0.000 0.752 404 E HN 0.314 nan 8.360 nan 0.000 0.466 405 R N 0.260 120.710 120.500 -0.084 0.000 2.092 405 R HA -0.064 4.282 4.340 0.009 0.000 0.231 405 R C 2.263 178.610 176.300 0.078 0.000 1.119 405 R CA 1.165 57.222 56.100 -0.071 0.000 0.970 405 R CB -0.143 30.019 30.300 -0.231 0.000 0.864 405 R HN 0.118 nan 8.270 nan 0.000 0.440 406 A N 0.673 123.552 122.820 0.098 0.000 1.898 406 A HA -0.056 4.269 4.320 0.009 0.000 0.216 406 A C 2.287 179.961 177.584 0.150 0.000 1.181 406 A CA 1.508 53.649 52.037 0.175 0.000 0.620 406 A CB -0.651 18.469 19.000 0.200 0.000 0.819 406 A HN 0.400 nan 8.150 nan 0.000 0.442 407 A N -0.229 122.653 122.820 0.103 0.000 1.858 407 A HA -0.076 4.250 4.320 0.009 0.000 0.216 407 A C 2.147 179.756 177.584 0.041 0.000 1.190 407 A CA 1.776 53.858 52.037 0.075 0.000 0.617 407 A CB -0.789 18.245 19.000 0.056 0.000 0.827 407 A HN 0.774 nan 8.150 nan 0.000 0.443 408 L N 0.171 121.427 121.223 0.057 0.000 2.081 408 L HA -0.158 4.187 4.340 0.009 0.000 0.212 408 L C 2.477 179.374 176.870 0.045 0.000 1.080 408 L CA 2.628 57.509 54.840 0.069 0.000 0.754 408 L CB -0.589 41.547 42.059 0.129 0.000 0.893 408 L HN 0.307 nan 8.230 nan 0.000 0.433 409 S N -0.672 115.060 115.700 0.053 0.000 2.356 409 S HA -0.243 4.232 4.470 0.009 0.000 0.223 409 S C 1.835 176.217 174.600 -0.363 0.000 1.032 409 S CA 1.454 59.650 58.200 -0.007 0.000 1.005 409 S CB -0.344 62.938 63.200 0.138 0.000 0.867 409 S HN 0.625 nan 8.310 nan 0.000 0.449 410 E N 1.535 121.411 120.200 -0.540 0.000 2.023 410 E HA -0.259 4.096 4.350 0.009 0.000 0.196 410 E C 2.338 178.677 176.600 -0.435 0.000 1.003 410 E CA 1.401 57.200 56.400 -1.002 0.000 0.809 410 E CB -0.153 29.357 29.700 -0.317 0.000 0.755 410 E HN 0.556 nan 8.360 nan 0.000 0.449 411 R N 0.530 120.929 120.500 -0.169 0.000 2.096 411 R HA -0.113 4.232 4.340 0.009 0.000 0.235 411 R C 2.444 178.726 176.300 -0.030 0.000 1.127 411 R CA 1.418 57.484 56.100 -0.057 0.000 0.968 411 R CB -0.619 29.678 30.300 -0.006 0.000 0.861 411 R HN 0.241 nan 8.270 nan 0.000 0.440 412 L N 0.041 121.251 121.223 -0.022 0.000 2.046 412 L HA -0.130 4.215 4.340 0.009 0.000 0.208 412 L C 2.546 179.410 176.870 -0.011 0.000 1.077 412 L CA 1.487 56.336 54.840 0.015 0.000 0.747 412 L CB -0.475 41.614 42.059 0.051 0.000 0.896 412 L HN 0.203 nan 8.230 nan 0.000 0.432 413 F N 0.675 120.514 119.950 -0.185 0.000 2.171 413 F HA -0.197 4.336 4.527 0.009 0.000 0.300 413 F C 2.403 178.177 175.800 -0.043 0.000 1.090 413 F CA 1.159 59.078 58.000 -0.135 0.000 1.293 413 F CB -0.148 38.716 39.000 -0.227 0.000 1.013 413 F HN 0.005 nan 8.300 nan 0.000 0.486 414 A N 0.326 123.169 122.820 0.040 0.000 1.858 414 A HA -0.253 4.072 4.320 0.009 0.000 0.216 414 A C 2.080 179.658 177.584 -0.010 0.000 1.190 414 A CA 2.010 54.074 52.037 0.045 0.000 0.617 414 A CB -1.247 17.787 19.000 0.055 0.000 0.827 414 A HN 0.496 nan 8.150 nan 0.000 0.443 415 N N 0.060 118.745 118.700 -0.026 0.000 2.007 415 N HA -0.132 4.613 4.740 0.009 0.000 0.197 415 N C 1.603 177.047 175.510 -0.110 0.000 1.050 415 N CA 1.987 55.020 53.050 -0.027 0.000 0.856 415 N CB -0.522 37.979 38.487 0.023 0.000 1.050 415 N HN 0.428 nan 8.380 nan 0.000 0.423 416 L N -0.612 120.477 121.223 -0.223 0.000 2.079 416 L HA -0.198 4.148 4.340 0.009 0.000 0.210 416 L C 2.380 179.045 176.870 -0.342 0.000 1.081 416 L CA 1.023 55.644 54.840 -0.364 0.000 0.752 416 L CB -0.441 41.335 42.059 -0.472 0.000 0.896 416 L HN 0.455 nan 8.230 nan 0.000 0.433 417 W N 0.970 121.926 121.300 -0.574 0.000 2.363 417 W HA -0.145 4.520 4.660 0.009 0.000 0.296 417 W C 2.029 178.373 176.519 -0.292 0.000 1.212 417 W CA 1.513 58.525 57.345 -0.556 0.000 1.260 417 W CB -0.220 28.836 29.460 -0.674 0.000 1.131 417 W HN 0.214 nan 8.180 nan 0.000 0.530 418 G N 1.057 109.776 108.800 -0.134 0.000 2.446 418 G HA2 -0.303 3.662 3.960 0.009 0.000 0.217 418 G HA3 -0.303 3.662 3.960 0.009 0.000 0.217 418 G C 1.598 176.367 174.900 -0.218 0.000 1.168 418 G CA 0.967 45.986 45.100 -0.135 0.000 0.771 418 G HN 0.237 nan 8.290 nan 0.000 0.551 419 R N -0.153 120.224 120.500 -0.204 0.000 2.170 419 R HA 0.041 4.387 4.340 0.009 0.000 0.242 419 R C 2.351 178.500 176.300 -0.252 0.000 1.145 419 R CA 0.675 56.663 56.100 -0.187 0.000 0.984 419 R CB -0.442 29.762 30.300 -0.159 0.000 0.869 419 R HN 0.339 nan 8.270 nan 0.000 0.455 420 L N 1.195 122.177 121.223 -0.402 0.000 2.552 420 L HA -0.001 4.344 4.340 0.009 0.000 0.227 420 L C 0.958 177.569 176.870 -0.431 0.000 1.146 420 L CA 0.053 54.620 54.840 -0.454 0.000 0.858 420 L CB -0.556 41.091 42.059 -0.686 0.000 0.969 420 L HN 0.275 nan 8.230 nan 0.000 0.451 421 E N 0.471 120.434 120.200 -0.395 0.000 2.406 421 E HA 0.344 4.699 4.350 0.009 0.000 0.258 421 E C 1.181 177.682 176.600 -0.166 0.000 1.043 421 E CA 0.455 56.688 56.400 -0.279 0.000 0.929 421 E CB -0.197 29.383 29.700 -0.200 0.000 0.969 421 E HN 0.473 nan 8.360 nan 0.000 0.462 422 G N 2.008 110.729 108.800 -0.132 0.000 2.213 422 G HA2 -0.186 3.779 3.960 0.009 0.000 0.226 422 G HA3 -0.186 3.779 3.960 0.009 0.000 0.226 422 G C 0.388 175.250 174.900 -0.065 0.000 0.992 422 G CA 0.133 45.188 45.100 -0.074 0.000 0.632 422 G HN 0.583 nan 8.290 nan 0.000 0.511 423 E N 1.176 121.317 120.200 -0.099 0.000 2.280 423 E HA 0.460 4.815 4.350 0.009 0.000 0.279 423 E C 1.536 178.113 176.600 -0.038 0.000 1.325 423 E CA 0.566 56.924 56.400 -0.071 0.000 1.486 423 E CB -0.070 29.567 29.700 -0.105 0.000 1.466 423 E HN 0.775 nan 8.360 nan 0.000 0.473 424 E N 2.042 122.238 120.200 -0.007 0.000 2.187 424 E HA -0.262 4.093 4.350 0.009 0.000 0.199 424 E C 1.813 178.476 176.600 0.105 0.000 1.004 424 E CA 1.320 57.746 56.400 0.044 0.000 0.813 424 E CB -0.457 29.269 29.700 0.043 0.000 0.736 424 E HN 0.165 nan 8.360 nan 0.000 0.468 425 R N -0.791 119.753 120.500 0.073 0.000 2.075 425 R HA 0.167 4.513 4.340 0.009 0.000 0.226 425 R C 2.685 179.092 176.300 0.177 0.000 1.114 425 R CA 1.074 57.233 56.100 0.098 0.000 0.972 425 R CB -0.382 29.942 30.300 0.040 0.000 0.869 425 R HN 0.449 nan 8.270 nan 0.000 0.437 426 L N 0.787 122.071 121.223 0.101 0.000 2.093 426 L HA -0.114 4.231 4.340 0.009 0.000 0.208 426 L C 2.485 179.444 176.870 0.149 0.000 1.085 426 L CA 0.939 55.839 54.840 0.100 0.000 0.755 426 L CB -0.392 41.665 42.059 -0.003 0.000 0.904 426 L HN 0.140 nan 8.230 nan 0.000 0.435 427 L N -1.625 119.657 121.223 0.098 0.000 2.083 427 L HA -0.250 4.096 4.340 0.009 0.000 0.209 427 L C 2.417 179.427 176.870 0.233 0.000 1.083 427 L CA 1.541 56.453 54.840 0.121 0.000 0.752 427 L CB -0.543 41.532 42.059 0.026 0.000 0.899 427 L HN 0.421 nan 8.230 nan 0.000 0.433 428 W N 0.739 122.072 121.300 0.055 0.000 2.355 428 W HA -0.209 4.457 4.660 0.009 0.000 0.309 428 W C 2.324 178.862 176.519 0.031 0.000 1.206 428 W CA 1.353 58.716 57.345 0.029 0.000 1.284 428 W CB -0.127 29.319 29.460 -0.024 0.000 1.145 428 W HN -0.065 nan 8.180 nan 0.000 0.502 429 L N -0.450 121.057 121.223 0.473 0.000 2.046 429 L HA -0.259 4.086 4.340 0.009 0.000 0.208 429 L C 2.474 179.411 176.870 0.112 0.000 1.077 429 L CA 1.730 56.767 54.840 0.329 0.000 0.747 429 L CB -1.180 41.110 42.059 0.385 0.000 0.896 429 L HN 0.141 nan 8.230 nan 0.000 0.432 430 Y N 0.748 121.088 120.300 0.067 0.000 2.070 430 Y HA -0.254 4.302 4.550 0.009 0.000 0.279 430 Y C 2.837 178.747 175.900 0.017 0.000 1.134 430 Y CA 1.614 59.759 58.100 0.075 0.000 1.113 430 Y CB -0.245 38.291 38.460 0.127 0.000 0.981 430 Y HN -0.071 nan 8.280 nan 0.000 0.487 431 R N -0.190 120.268 120.500 -0.070 0.000 2.092 431 R HA -0.115 4.230 4.340 0.009 0.000 0.231 431 R C 1.884 177.981 176.300 -0.340 0.000 1.119 431 R CA 1.527 57.508 56.100 -0.198 0.000 0.970 431 R CB -0.076 30.228 30.300 0.006 0.000 0.864 431 R HN 0.422 nan 8.270 nan 0.000 0.440 432 E N -0.501 119.374 120.200 -0.542 0.000 2.400 432 E HA -0.006 4.349 4.350 0.009 0.000 0.195 432 E C 1.611 177.898 176.600 -0.522 0.000 1.012 432 E CA 0.576 56.545 56.400 -0.718 0.000 0.875 432 E CB 0.649 29.417 29.700 -1.553 0.000 0.859 432 E HN 0.133 nan 8.360 nan 0.000 0.498 433 V N 0.697 120.385 119.914 -0.377 0.000 3.264 433 V HA -0.031 4.095 4.120 0.009 0.000 0.217 433 V C 1.991 178.023 176.094 -0.103 0.000 1.236 433 V CA 0.229 62.429 62.300 -0.165 0.000 1.287 433 V CB -0.066 31.752 31.823 -0.009 0.000 1.241 433 V HN -0.028 nan 8.190 nan 0.000 0.518 434 E N 1.008 121.168 120.200 -0.066 0.000 2.023 434 E HA -0.260 4.095 4.350 0.009 0.000 0.196 434 E C 2.158 178.675 176.600 -0.138 0.000 1.003 434 E CA 1.701 58.081 56.400 -0.034 0.000 0.809 434 E CB -0.350 29.410 29.700 0.100 0.000 0.755 434 E HN 0.367 nan 8.360 nan 0.000 0.449 435 R N 0.724 121.017 120.500 -0.345 0.000 2.094 435 R HA -0.141 4.204 4.340 0.009 0.000 0.239 435 R C -0.519 175.662 176.300 -0.197 0.000 1.137 435 R CA 2.325 58.217 56.100 -0.347 0.000 0.943 435 R CB -0.971 28.981 30.300 -0.580 0.000 0.850 435 R HN 0.167 nan 8.270 nan 0.000 0.433 436 P HA -0.152 nan 4.420 nan 0.000 0.217 436 P C 1.433 178.662 177.300 -0.118 0.000 1.151 436 P CA 0.954 63.975 63.100 -0.131 0.000 0.828 436 P CB -0.145 31.480 31.700 -0.124 0.000 0.788 437 L N 0.942 122.100 121.223 -0.109 0.000 2.083 437 L HA -0.140 4.206 4.340 0.009 0.000 0.209 437 L C 2.626 179.427 176.870 -0.116 0.000 1.083 437 L CA 2.355 57.136 54.840 -0.099 0.000 0.752 437 L CB -1.436 40.592 42.059 -0.052 0.000 0.899 437 L HN 0.015 nan 8.230 nan 0.000 0.433 438 S N -0.254 115.391 115.700 -0.090 0.000 2.387 438 S HA -0.238 4.237 4.470 0.009 0.000 0.230 438 S C 2.140 176.672 174.600 -0.113 0.000 1.035 438 S CA 1.251 59.407 58.200 -0.074 0.000 1.014 438 S CB -0.887 62.287 63.200 -0.043 0.000 0.836 438 S HN 0.582 nan 8.310 nan 0.000 0.466 439 A N 1.237 123.976 122.820 -0.135 0.000 1.877 439 A HA 0.081 4.406 4.320 0.009 0.000 0.216 439 A C 2.478 179.908 177.584 -0.257 0.000 1.186 439 A CA 1.650 53.591 52.037 -0.161 0.000 0.620 439 A CB -1.201 17.736 19.000 -0.104 0.000 0.822 439 A HN 0.502 nan 8.150 nan 0.000 0.443 440 V N 0.379 120.078 119.914 -0.359 0.000 2.287 440 V HA -0.285 3.841 4.120 0.009 0.000 0.248 440 V C 2.574 178.433 176.094 -0.392 0.000 1.053 440 V CA 2.060 63.978 62.300 -0.637 0.000 1.027 440 V CB -0.797 30.725 31.823 -0.501 0.000 0.646 440 V HN 0.585 nan 8.190 nan 0.000 0.447 441 L N -0.080 121.001 121.223 -0.237 0.000 2.127 441 L HA -0.200 4.145 4.340 0.009 0.000 0.211 441 L C 2.684 179.518 176.870 -0.060 0.000 1.089 441 L CA 1.526 56.285 54.840 -0.136 0.000 0.757 441 L CB -0.833 41.199 42.059 -0.045 0.000 0.899 441 L HN 0.398 nan 8.230 nan 0.000 0.434 442 A N -0.550 122.197 122.820 -0.122 0.000 1.898 442 A HA -0.229 4.097 4.320 0.009 0.000 0.216 442 A C 1.963 179.459 177.584 -0.147 0.000 1.181 442 A CA 1.540 53.495 52.037 -0.137 0.000 0.620 442 A CB -0.780 18.087 19.000 -0.221 0.000 0.819 442 A HN 0.420 nan 8.150 nan 0.000 0.442 443 H N -1.157 117.843 119.070 -0.117 0.000 2.387 443 H HA -0.030 4.531 4.556 0.009 0.000 0.299 443 H C 2.176 177.510 175.328 0.009 0.000 1.090 443 H CA 1.978 58.002 56.048 -0.039 0.000 1.332 443 H CB -0.169 29.589 29.762 -0.006 0.000 1.386 443 H HN 0.422 nan 8.280 nan 0.000 0.516 444 M N 0.081 119.730 119.600 0.082 0.000 2.086 444 M HA -0.185 4.300 4.480 0.009 0.000 0.261 444 M C 2.041 178.456 176.300 0.192 0.000 1.067 444 M CA 1.674 57.027 55.300 0.089 0.000 1.116 444 M CB -0.052 32.505 32.600 -0.072 0.000 1.348 444 M HN 0.348 nan 8.290 nan 0.000 0.407 445 E N 0.232 120.558 120.200 0.209 0.000 2.077 445 E HA -0.176 4.180 4.350 0.009 0.000 0.193 445 E C 2.097 178.805 176.600 0.179 0.000 0.989 445 E CA 1.338 57.876 56.400 0.230 0.000 0.800 445 E CB -0.223 29.572 29.700 0.159 0.000 0.746 445 E HN 0.526 nan 8.360 nan 0.000 0.452 446 A N 1.112 123.970 122.820 0.063 0.000 1.898 446 A HA -0.156 4.169 4.320 0.009 0.000 0.216 446 A C 2.392 180.021 177.584 0.076 0.000 1.181 446 A CA 1.821 53.833 52.037 -0.041 0.000 0.620 446 A CB -0.791 18.166 19.000 -0.072 0.000 0.819 446 A HN 0.167 nan 8.150 nan 0.000 0.442 447 T N -0.752 113.889 114.554 0.144 0.000 2.643 447 T HA 0.335 4.691 4.350 0.009 0.000 0.264 447 T C 1.371 176.153 174.700 0.137 0.000 1.045 447 T CA 1.699 63.871 62.100 0.119 0.000 1.155 447 T CB -0.886 68.032 68.868 0.082 0.000 0.863 447 T HN 1.678 nan 8.240 nan 0.000 0.420 448 G N 0.033 108.896 108.800 0.104 0.000 2.725 448 G HA2 -0.049 3.917 3.960 0.009 0.000 0.220 448 G HA3 -0.049 3.917 3.960 0.009 0.000 0.220 448 G C -0.800 174.011 174.900 -0.149 0.000 1.357 448 G CA -0.404 44.584 45.100 -0.186 0.000 0.866 448 G HN 0.864 nan 8.290 nan 0.000 0.548 449 V N 0.168 119.970 119.914 -0.186 0.000 2.841 449 V HA 0.787 4.912 4.120 0.009 0.000 0.310 449 V C 0.560 176.586 176.094 -0.114 0.000 1.090 449 V CA -0.274 61.977 62.300 -0.082 0.000 0.930 449 V CB 1.750 33.615 31.823 0.070 0.000 1.014 449 V HN 1.168 nan 8.190 nan 0.000 0.425 450 R N 3.900 124.337 120.500 -0.105 0.000 2.490 450 R HA 0.624 4.970 4.340 0.009 0.000 0.280 450 R C -1.396 174.809 176.300 -0.157 0.000 1.077 450 R CA -0.276 55.753 56.100 -0.118 0.000 1.065 450 R CB 1.112 31.349 30.300 -0.105 0.000 1.003 450 R HN 0.635 nan 8.270 nan 0.000 0.470 451 L N 2.950 124.066 121.223 -0.178 0.000 2.436 451 L HA 0.266 4.611 4.340 0.009 0.000 0.268 451 L C -1.138 175.653 176.870 -0.132 0.000 0.974 451 L CA -0.471 54.215 54.840 -0.258 0.000 0.826 451 L CB 2.047 43.885 42.059 -0.370 0.000 1.291 451 L HN 0.624 nan 8.230 nan 0.000 0.406 452 D N 3.637 123.973 120.400 -0.107 0.000 2.489 452 D HA 0.049 4.695 4.640 0.009 0.000 0.237 452 D C 1.175 177.514 176.300 0.065 0.000 1.212 452 D CA 0.281 54.270 54.000 -0.019 0.000 1.058 452 D CB 0.728 41.491 40.800 -0.062 0.000 1.098 452 D HN 0.445 nan 8.370 nan 0.000 0.509 453 V N 3.375 123.305 119.914 0.027 0.000 2.287 453 V HA -0.301 3.824 4.120 0.009 0.000 0.248 453 V C 2.496 178.626 176.094 0.060 0.000 1.053 453 V CA 2.211 64.532 62.300 0.036 0.000 1.027 453 V CB -0.528 31.307 31.823 0.019 0.000 0.646 453 V HN 0.620 nan 8.190 nan 0.000 0.447 454 A N -1.338 121.521 122.820 0.066 0.000 1.972 454 A HA -0.270 4.056 4.320 0.009 0.000 0.219 454 A C 2.119 179.762 177.584 0.099 0.000 1.169 454 A CA 2.044 54.120 52.037 0.065 0.000 0.635 454 A CB -0.718 18.318 19.000 0.059 0.000 0.810 454 A HN 0.697 nan 8.150 nan 0.000 0.446 455 Y N 0.312 120.607 120.300 -0.007 0.000 2.163 455 Y HA -0.097 4.458 4.550 0.009 0.000 0.288 455 Y C 1.879 177.780 175.900 0.001 0.000 1.136 455 Y CA 1.813 59.912 58.100 -0.001 0.000 1.147 455 Y CB -0.250 38.209 38.460 -0.001 0.000 0.987 455 Y HN 0.199 nan 8.280 nan 0.000 0.509 456 L N -0.425 120.826 121.223 0.046 0.000 2.141 456 L HA -0.153 4.193 4.340 0.009 0.000 0.209 456 L C 2.534 179.360 176.870 -0.074 0.000 1.094 456 L CA 1.046 55.852 54.840 -0.056 0.000 0.763 456 L CB -0.391 41.696 42.059 0.048 0.000 0.908 456 L HN 0.080 nan 8.230 nan 0.000 0.437 457 R N 0.226 120.706 120.500 -0.034 0.000 2.081 457 R HA -0.127 4.219 4.340 0.009 0.000 0.235 457 R C 2.307 178.573 176.300 -0.056 0.000 1.131 457 R CA 1.690 57.772 56.100 -0.030 0.000 0.960 457 R CB -0.515 29.781 30.300 -0.007 0.000 0.856 457 R HN 0.350 nan 8.270 nan 0.000 0.436 458 A N -0.023 122.749 122.820 -0.079 0.000 1.970 458 A HA -0.022 4.303 4.320 0.009 0.000 0.216 458 A C 2.099 179.604 177.584 -0.130 0.000 1.170 458 A CA 0.665 52.650 52.037 -0.087 0.000 0.645 458 A CB -0.481 18.474 19.000 -0.075 0.000 0.816 458 A HN 0.321 nan 8.150 nan 0.000 0.447 459 L N -0.474 120.620 121.223 -0.216 0.000 2.079 459 L HA -0.181 4.165 4.340 0.009 0.000 0.210 459 L C 2.756 179.550 176.870 -0.127 0.000 1.081 459 L CA 1.873 56.574 54.840 -0.231 0.000 0.752 459 L CB -0.351 41.503 42.059 -0.342 0.000 0.896 459 L HN 0.495 nan 8.230 nan 0.000 0.433 460 S N -0.004 115.638 115.700 -0.096 0.000 2.354 460 S HA -0.221 4.254 4.470 0.009 0.000 0.219 460 S C 1.931 176.498 174.600 -0.055 0.000 1.035 460 S CA 1.617 59.779 58.200 -0.062 0.000 1.037 460 S CB -0.313 62.859 63.200 -0.045 0.000 0.956 460 S HN 0.418 nan 8.310 nan 0.000 0.428 461 L N 1.204 122.397 121.223 -0.051 0.000 2.081 461 L HA -0.158 4.187 4.340 0.009 0.000 0.212 461 L C 2.739 179.584 176.870 -0.042 0.000 1.080 461 L CA 1.745 56.561 54.840 -0.040 0.000 0.754 461 L CB -0.665 41.373 42.059 -0.034 0.000 0.893 461 L HN 0.469 nan 8.230 nan 0.000 0.433 462 E N 0.402 120.570 120.200 -0.053 0.000 2.017 462 E HA -0.206 4.149 4.350 0.009 0.000 0.193 462 E C 2.247 178.818 176.600 -0.048 0.000 0.997 462 E CA 1.958 58.328 56.400 -0.051 0.000 0.804 462 E CB 0.031 29.692 29.700 -0.065 0.000 0.757 462 E HN 0.404 nan 8.360 nan 0.000 0.448 463 V N -0.998 118.883 119.914 -0.056 0.000 2.667 463 V HA -0.033 4.093 4.120 0.009 0.000 0.252 463 V C 2.243 178.303 176.094 -0.057 0.000 1.065 463 V CA 1.582 63.849 62.300 -0.055 0.000 1.083 463 V CB -0.655 31.132 31.823 -0.060 0.000 0.692 463 V HN 0.298 nan 8.190 nan 0.000 0.468 464 A N 0.326 123.115 122.820 -0.052 0.000 1.948 464 A HA -0.263 4.063 4.320 0.009 0.000 0.220 464 A C 2.156 179.718 177.584 -0.036 0.000 1.177 464 A CA 2.256 54.265 52.037 -0.046 0.000 0.636 464 A CB -0.656 18.323 19.000 -0.036 0.000 0.815 464 A HN 0.703 nan 8.150 nan 0.000 0.449 465 E N -1.075 119.106 120.200 -0.032 0.000 2.107 465 E HA -0.120 4.235 4.350 0.009 0.000 0.191 465 E C 1.992 178.577 176.600 -0.024 0.000 0.982 465 E CA 0.718 57.103 56.400 -0.024 0.000 0.809 465 E CB -0.006 29.681 29.700 -0.021 0.000 0.756 465 E HN 0.464 nan 8.360 nan 0.000 0.459 466 E N 0.473 120.654 120.200 -0.031 0.000 2.152 466 E HA -0.089 4.266 4.350 0.009 0.000 0.192 466 E C 1.939 178.520 176.600 -0.031 0.000 0.983 466 E CA 0.538 56.920 56.400 -0.030 0.000 0.818 466 E CB 0.068 29.748 29.700 -0.033 0.000 0.758 466 E HN 0.327 nan 8.360 nan 0.000 0.467 467 I N 0.530 121.072 120.570 -0.047 0.000 2.546 467 I HA -0.207 3.969 4.170 0.009 0.000 0.255 467 I C 2.285 178.404 176.117 0.003 0.000 1.163 467 I CA 0.807 62.077 61.300 -0.050 0.000 1.457 467 I CB -0.123 37.800 38.000 -0.128 0.000 1.092 467 I HN -0.011 nan 8.210 nan 0.000 0.434 468 A N 0.986 123.799 122.820 -0.012 0.000 1.897 468 A HA -0.144 4.181 4.320 0.009 0.000 0.215 468 A C 2.366 179.930 177.584 -0.033 0.000 1.181 468 A CA 1.101 53.131 52.037 -0.012 0.000 0.620 468 A CB -0.420 18.578 19.000 -0.004 0.000 0.821 468 A HN 0.292 nan 8.150 nan 0.000 0.443 469 R N -0.438 120.046 120.500 -0.027 0.000 2.120 469 R HA -0.026 4.320 4.340 0.009 0.000 0.234 469 R C 1.913 178.182 176.300 -0.052 0.000 1.123 469 R CA 1.321 57.402 56.100 -0.032 0.000 0.975 469 R CB -0.509 29.779 30.300 -0.020 0.000 0.866 469 R HN 0.485 nan 8.270 nan 0.000 0.446 470 L N 0.829 122.027 121.223 -0.041 0.000 2.095 470 L HA -0.126 4.219 4.340 0.009 0.000 0.204 470 L C 2.735 179.499 176.870 -0.178 0.000 1.080 470 L CA 1.312 56.125 54.840 -0.046 0.000 0.759 470 L CB -0.447 41.642 42.059 0.051 0.000 0.914 470 L HN 0.293 nan 8.230 nan 0.000 0.439 471 E N 0.878 120.938 120.200 -0.232 0.000 2.112 471 E HA -0.161 4.195 4.350 0.009 0.000 0.190 471 E C 2.149 178.215 176.600 -0.889 0.000 0.979 471 E CA 0.997 56.955 56.400 -0.736 0.000 0.814 471 E CB -0.152 29.171 29.700 -0.628 0.000 0.762 471 E HN 0.341 nan 8.360 nan 0.000 0.460 472 A N 1.444 124.045 122.820 -0.365 0.000 1.933 472 A HA -0.219 4.107 4.320 0.009 0.000 0.218 472 A C 2.083 179.598 177.584 -0.116 0.000 1.175 472 A CA 1.667 53.620 52.037 -0.140 0.000 0.628 472 A CB -0.488 18.493 19.000 -0.032 0.000 0.814 472 A HN 0.419 nan 8.150 nan 0.000 0.444 473 E N -0.627 119.484 120.200 -0.148 0.000 2.170 473 E HA -0.034 4.321 4.350 0.009 0.000 0.191 473 E C 1.853 178.393 176.600 -0.101 0.000 0.981 473 E CA 0.725 57.076 56.400 -0.081 0.000 0.830 473 E CB 0.042 29.709 29.700 -0.053 0.000 0.775 473 E HN 0.337 nan 8.360 nan 0.000 0.470 474 V N 1.018 120.784 119.914 -0.247 0.000 2.407 474 V HA -0.244 3.882 4.120 0.009 0.000 0.248 474 V C 1.930 177.987 176.094 -0.062 0.000 1.055 474 V CA 1.440 63.607 62.300 -0.223 0.000 1.049 474 V CB -0.498 31.063 31.823 -0.436 0.000 0.662 474 V HN 0.273 nan 8.190 nan 0.000 0.455 475 F N 0.554 120.414 119.950 -0.150 0.000 2.102 475 F HA -0.100 4.432 4.527 0.009 0.000 0.298 475 F C 2.533 178.311 175.800 -0.037 0.000 1.105 475 F CA 1.672 59.592 58.000 -0.134 0.000 1.239 475 F CB -1.141 37.753 39.000 -0.178 0.000 0.991 475 F HN 0.083 nan 8.300 nan 0.000 0.474 476 R N 0.404 121.006 120.500 0.170 0.000 2.082 476 R HA -0.178 4.167 4.340 0.009 0.000 0.234 476 R C 2.204 178.571 176.300 0.112 0.000 1.136 476 R CA 1.432 57.602 56.100 0.116 0.000 0.935 476 R CB -0.588 29.756 30.300 0.074 0.000 0.842 476 R HN 0.139 nan 8.270 nan 0.000 0.430 477 L N 0.650 121.932 121.223 0.099 0.000 2.081 477 L HA -0.172 4.174 4.340 0.009 0.000 0.212 477 L C 2.486 179.433 176.870 0.129 0.000 1.080 477 L CA 2.213 57.128 54.840 0.125 0.000 0.754 477 L CB -1.407 40.723 42.059 0.119 0.000 0.893 477 L HN 0.473 nan 8.230 nan 0.000 0.433 478 A N -1.563 121.327 122.820 0.117 0.000 2.072 478 A HA 0.249 4.575 4.320 0.009 0.000 0.216 478 A C 1.781 179.459 177.584 0.156 0.000 1.156 478 A CA 1.106 53.197 52.037 0.090 0.000 0.701 478 A CB -0.285 18.776 19.000 0.101 0.000 0.816 478 A HN 0.566 nan 8.150 nan 0.000 0.458 479 G N -1.162 107.735 108.800 0.161 0.000 2.141 479 G HA2 -0.129 3.836 3.960 0.009 0.000 0.242 479 G HA3 -0.129 3.836 3.960 0.009 0.000 0.242 479 G C 0.054 175.112 174.900 0.264 0.000 0.982 479 G CA 0.843 46.054 45.100 0.185 0.000 0.662 479 G HN 2.176 nan 8.290 nan 0.000 0.527 480 H N -3.095 116.041 119.070 0.110 0.000 2.961 480 H HA 0.583 5.144 4.556 0.009 0.000 0.278 480 H C -3.261 172.072 175.328 0.009 0.000 1.338 480 H CA -0.981 55.093 56.048 0.044 0.000 1.373 480 H CB 0.291 30.067 29.762 0.023 0.000 1.915 480 H HN 0.163 nan 8.280 nan 0.000 0.500 481 P HA 0.416 nan 4.420 nan 0.000 0.277 481 P C -0.871 176.137 177.300 -0.486 0.000 1.271 481 P CA -0.155 62.287 63.100 -1.096 0.000 0.795 481 P CB 0.870 31.976 31.700 -0.990 0.000 1.101 482 F N -4.223 115.278 119.950 -0.747 0.000 2.890 482 F HA 0.322 4.854 4.527 0.009 0.000 0.326 482 F C -1.273 174.469 175.800 -0.098 0.000 1.143 482 F CA -1.300 56.548 58.000 -0.253 0.000 0.906 482 F CB 0.021 38.934 39.000 -0.145 0.000 1.303 482 F HN 0.057 nan 8.300 nan 0.000 0.447 483 N N 2.306 121.094 118.700 0.147 0.000 2.406 483 N HA 0.144 4.890 4.740 0.009 0.000 0.265 483 N C 0.494 176.093 175.510 0.148 0.000 1.203 483 N CA 0.008 53.116 53.050 0.097 0.000 0.945 483 N CB 0.962 39.520 38.487 0.118 0.000 1.165 483 N HN 0.907 nan 8.380 nan 0.000 0.485 484 L N 3.222 124.399 121.223 -0.078 0.000 2.376 484 L HA -0.026 4.320 4.340 0.009 0.000 0.219 484 L C 0.930 177.828 176.870 0.046 0.000 1.133 484 L CA 0.665 55.398 54.840 -0.178 0.000 0.816 484 L CB 0.009 41.606 42.059 -0.771 0.000 0.933 484 L HN 0.514 nan 8.230 nan 0.000 0.449 485 N N -0.948 117.836 118.700 0.141 0.000 2.398 485 N HA -0.044 4.701 4.740 0.009 0.000 0.188 485 N C 0.515 176.105 175.510 0.133 0.000 1.122 485 N CA 0.183 53.340 53.050 0.177 0.000 0.866 485 N CB 0.394 38.977 38.487 0.160 0.000 0.970 485 N HN 0.017 nan 8.380 nan 0.000 0.462 486 S N 1.040 116.823 115.700 0.139 0.000 2.411 486 S HA 0.203 4.678 4.470 0.009 0.000 0.294 486 S C 1.315 175.985 174.600 0.116 0.000 1.115 486 S CA -0.782 57.490 58.200 0.120 0.000 1.071 486 S CB 0.773 64.048 63.200 0.126 0.000 0.967 486 S HN 0.271 nan 8.310 nan 0.000 0.488 487 R N 3.977 124.532 120.500 0.092 0.000 2.120 487 R HA -0.034 4.312 4.340 0.009 0.000 0.234 487 R C 0.949 177.289 176.300 0.067 0.000 1.123 487 R CA 1.740 57.889 56.100 0.081 0.000 0.975 487 R CB -0.530 29.817 30.300 0.077 0.000 0.866 487 R HN 0.407 nan 8.270 nan 0.000 0.446 488 D N 1.055 121.492 120.400 0.062 0.000 2.084 488 D HA -0.141 4.504 4.640 0.009 0.000 0.196 488 D C 2.082 178.395 176.300 0.022 0.000 0.985 488 D CA 1.453 55.482 54.000 0.048 0.000 0.826 488 D CB -0.304 40.523 40.800 0.044 0.000 0.978 488 D HN 0.447 nan 8.370 nan 0.000 0.456 489 Q N -0.139 119.681 119.800 0.034 0.000 2.084 489 Q HA -0.130 4.215 4.340 0.009 0.000 0.202 489 Q C 2.281 178.175 176.000 -0.177 0.000 0.978 489 Q CA 0.676 56.471 55.803 -0.013 0.000 0.844 489 Q CB -0.158 28.655 28.738 0.125 0.000 0.898 489 Q HN 0.198 nan 8.270 nan 0.000 0.426 490 L N 1.084 122.260 121.223 -0.079 0.000 2.141 490 L HA -0.131 4.214 4.340 0.009 0.000 0.209 490 L C 2.198 178.917 176.870 -0.252 0.000 1.094 490 L CA 1.628 56.355 54.840 -0.187 0.000 0.763 490 L CB -0.318 41.754 42.059 0.022 0.000 0.908 490 L HN 0.179 nan 8.230 nan 0.000 0.437 491 E N -0.350 119.780 120.200 -0.117 0.000 2.051 491 E HA -0.279 4.076 4.350 0.009 0.000 0.192 491 E C 2.301 178.858 176.600 -0.072 0.000 0.991 491 E CA 1.278 57.653 56.400 -0.042 0.000 0.799 491 E CB -0.011 29.774 29.700 0.142 0.000 0.748 491 E HN 0.497 nan 8.360 nan 0.000 0.449 492 R N -0.084 120.368 120.500 -0.079 0.000 2.083 492 R HA -0.148 4.198 4.340 0.009 0.000 0.237 492 R C 2.507 178.714 176.300 -0.156 0.000 1.137 492 R CA 1.650 57.705 56.100 -0.074 0.000 0.951 492 R CB -0.337 29.914 30.300 -0.081 0.000 0.851 492 R HN 0.108 nan 8.270 nan 0.000 0.434 493 V N 1.334 121.065 119.914 -0.304 0.000 2.261 493 V HA -0.241 3.884 4.120 0.009 0.000 0.246 493 V C 2.330 178.221 176.094 -0.339 0.000 1.047 493 V CA 1.742 63.828 62.300 -0.357 0.000 1.015 493 V CB -0.521 30.906 31.823 -0.661 0.000 0.642 493 V HN 0.288 nan 8.190 nan 0.000 0.446 494 L N -1.333 119.597 121.223 -0.488 0.000 2.017 494 L HA -0.129 4.216 4.340 0.009 0.000 0.208 494 L C 2.376 178.927 176.870 -0.532 0.000 1.073 494 L CA 1.748 56.196 54.840 -0.653 0.000 0.745 494 L CB -0.463 40.927 42.059 -1.116 0.000 0.894 494 L HN 0.306 nan 8.230 nan 0.000 0.432 495 F N -1.304 118.609 119.950 -0.061 0.000 2.582 495 F HA 0.028 4.560 4.527 0.009 0.000 0.290 495 F C 2.113 177.893 175.800 -0.032 0.000 1.115 495 F CA 0.119 58.097 58.000 -0.036 0.000 1.445 495 F CB -0.374 38.611 39.000 -0.026 0.000 1.126 495 F HN -0.008 nan 8.300 nan 0.000 0.574 496 D N -0.010 120.442 120.400 0.088 0.000 2.369 496 D HA -0.008 4.638 4.640 0.009 0.000 0.231 496 D C 1.915 178.219 176.300 0.008 0.000 0.967 496 D CA 0.885 54.912 54.000 0.045 0.000 0.905 496 D CB 0.025 40.840 40.800 0.024 0.000 1.044 496 D HN 0.280 nan 8.370 nan 0.000 0.487 497 E N 0.488 120.670 120.200 -0.030 0.000 2.030 497 E HA 0.071 4.427 4.350 0.009 0.000 0.189 497 E C 0.863 177.455 176.600 -0.012 0.000 0.974 497 E CA 0.280 56.665 56.400 -0.024 0.000 0.807 497 E CB 0.282 29.963 29.700 -0.031 0.000 0.771 497 E HN 0.132 nan 8.360 nan 0.000 0.451 498 L N 0.253 121.448 121.223 -0.048 0.000 2.479 498 L HA 0.260 4.605 4.340 0.009 0.000 0.248 498 L C 1.048 177.933 176.870 0.025 0.000 1.205 498 L CA -0.140 54.688 54.840 -0.020 0.000 0.817 498 L CB 0.228 42.206 42.059 -0.135 0.000 1.162 498 L HN 0.171 nan 8.230 nan 0.000 0.486 499 G N 1.389 110.230 108.800 0.069 0.000 4.486 499 G HA2 0.423 4.388 3.960 0.009 0.000 0.306 499 G HA3 0.423 4.388 3.960 0.009 0.000 0.306 499 G C -0.041 174.929 174.900 0.116 0.000 1.331 499 G CA -0.380 44.772 45.100 0.086 0.000 1.113 499 G HN 0.254 nan 8.290 nan 0.000 0.594 500 L N 1.897 123.205 121.223 0.141 0.000 2.349 500 L HA 0.314 4.659 4.340 0.009 0.000 0.275 500 L C -1.724 175.329 176.870 0.305 0.000 1.115 500 L CA -1.846 53.113 54.840 0.198 0.000 0.820 500 L CB 1.347 43.491 42.059 0.142 0.000 1.135 500 L HN 0.092 nan 8.230 nan 0.000 0.445 501 P HA 0.095 nan 4.420 nan 0.000 0.271 501 P C -0.824 176.491 177.300 0.025 0.000 1.216 501 P CA -0.399 62.761 63.100 0.100 0.000 0.771 501 P CB 0.990 32.727 31.700 0.061 0.000 0.864 502 A N 3.858 126.514 122.820 -0.272 0.000 2.350 502 A HA 0.227 4.552 4.320 0.009 0.000 0.293 502 A C 1.140 178.545 177.584 -0.297 0.000 1.231 502 A CA -0.365 51.241 52.037 -0.719 0.000 0.883 502 A CB -0.730 17.759 19.000 -0.852 0.000 1.133 502 A HN 0.520 nan 8.150 nan 0.000 0.533 503 I N 2.049 122.518 120.570 -0.168 0.000 3.030 503 I HA 0.179 4.354 4.170 0.009 0.000 0.270 503 I C 1.376 177.472 176.117 -0.036 0.000 1.211 503 I CA 1.359 62.632 61.300 -0.045 0.000 1.479 503 I CB 0.280 38.302 38.000 0.036 0.000 1.105 503 I HN 0.695 nan 8.210 nan 0.000 0.447 504 G N -0.318 108.439 108.800 -0.072 0.000 2.684 504 G HA2 0.528 4.493 3.960 0.009 0.000 0.290 504 G HA3 0.528 4.493 3.960 0.009 0.000 0.290 504 G C -1.429 173.436 174.900 -0.058 0.000 1.425 504 G CA -0.605 44.476 45.100 -0.032 0.000 0.822 504 G HN -0.288 nan 8.290 nan 0.000 0.482 505 K N 0.182 120.567 120.400 -0.025 0.000 2.340 505 K HA 0.655 4.981 4.320 0.009 0.000 0.244 505 K C 0.035 176.640 176.600 0.008 0.000 0.973 505 K CA -0.616 55.659 56.287 -0.021 0.000 0.828 505 K CB 1.826 34.312 32.500 -0.024 0.000 1.226 505 K HN 0.789 nan 8.250 nan 0.000 0.437 506 T N -1.740 112.823 114.554 0.014 0.000 2.909 506 T HA 0.188 4.543 4.350 0.009 0.000 0.289 506 T C 1.109 175.820 174.700 0.020 0.000 1.005 506 T CA -0.527 61.588 62.100 0.025 0.000 1.084 506 T CB 1.380 70.267 68.868 0.032 0.000 0.975 506 T HN 0.371 nan 8.240 nan 0.000 0.509 507 E N 1.577 121.790 120.200 0.023 0.000 2.023 507 E HA -0.137 4.219 4.350 0.009 0.000 0.196 507 E C 1.819 178.430 176.600 0.017 0.000 1.003 507 E CA 1.565 57.977 56.400 0.020 0.000 0.809 507 E CB -0.082 29.631 29.700 0.022 0.000 0.755 507 E HN 0.669 nan 8.360 nan 0.000 0.449 508 K N -0.770 119.640 120.400 0.018 0.000 2.186 508 K HA -0.012 4.313 4.320 0.009 0.000 0.202 508 K C 1.947 178.556 176.600 0.014 0.000 1.052 508 K CA 1.426 57.723 56.287 0.015 0.000 0.965 508 K CB 0.183 32.692 32.500 0.016 0.000 0.746 508 K HN 0.190 nan 8.250 nan 0.000 0.457 509 T N -4.574 109.990 114.554 0.016 0.000 2.990 509 T HA 0.241 4.596 4.350 0.009 0.000 0.250 509 T C 1.453 176.160 174.700 0.012 0.000 1.041 509 T CA 0.212 62.321 62.100 0.015 0.000 1.010 509 T CB 0.695 69.574 68.868 0.019 0.000 1.003 509 T HN 0.195 nan 8.240 nan 0.000 0.499 510 G N 2.115 110.922 108.800 0.011 0.000 2.162 510 G HA2 -0.287 3.679 3.960 0.009 0.000 0.260 510 G HA3 -0.287 3.679 3.960 0.009 0.000 0.260 510 G C 0.074 174.975 174.900 0.001 0.000 0.976 510 G CA 0.297 45.399 45.100 0.004 0.000 0.655 510 G HN 0.636 nan 8.290 nan 0.000 0.533 511 K N 0.199 120.606 120.400 0.012 0.000 2.336 511 K HA 0.295 4.621 4.320 0.009 0.000 0.262 511 K C 0.929 177.534 176.600 0.008 0.000 0.992 511 K CA -0.334 55.964 56.287 0.018 0.000 0.927 511 K CB 0.446 32.969 32.500 0.040 0.000 0.956 511 K HN 0.288 nan 8.250 nan 0.000 0.495 512 R N 1.118 121.615 120.500 -0.006 0.000 2.449 512 R HA -0.014 4.331 4.340 0.009 0.000 0.296 512 R C 0.350 176.684 176.300 0.057 0.000 1.047 512 R CA 0.028 56.077 56.100 -0.085 0.000 1.018 512 R CB 0.663 30.796 30.300 -0.278 0.000 0.962 512 R HN 0.451 nan 8.270 nan 0.000 0.428 513 S N 1.008 116.730 115.700 0.037 0.000 2.585 513 S HA 0.066 4.542 4.470 0.009 0.000 0.273 513 S C 0.718 175.472 174.600 0.257 0.000 1.339 513 S CA -0.310 57.961 58.200 0.118 0.000 1.028 513 S CB 0.613 63.857 63.200 0.073 0.000 0.906 513 S HN 0.717 nan 8.310 nan 0.000 0.528 514 T N 0.574 115.253 114.554 0.208 0.000 3.380 514 T HA 0.334 4.689 4.350 0.009 0.000 0.289 514 T C 0.290 175.062 174.700 0.120 0.000 1.012 514 T CA -0.558 61.655 62.100 0.188 0.000 0.944 514 T CB 0.103 69.038 68.868 0.113 0.000 1.172 514 T HN 0.336 nan 8.240 nan 0.000 0.502 515 S N 0.767 116.535 115.700 0.114 0.000 2.584 515 S HA 0.558 5.033 4.470 0.009 0.000 0.270 515 S C 1.864 176.510 174.600 0.078 0.000 1.346 515 S CA 0.067 58.318 58.200 0.085 0.000 1.018 515 S CB 0.478 63.721 63.200 0.073 0.000 0.899 515 S HN 0.651 nan 8.310 nan 0.000 0.542 516 A N 2.587 125.445 122.820 0.065 0.000 1.978 516 A HA -0.049 4.276 4.320 0.009 0.000 0.220 516 A C 2.229 179.845 177.584 0.053 0.000 1.170 516 A CA 2.003 54.074 52.037 0.057 0.000 0.636 516 A CB -1.125 17.905 19.000 0.050 0.000 0.810 516 A HN 0.951 nan 8.150 nan 0.000 0.448 517 A N -0.797 122.054 122.820 0.051 0.000 1.930 517 A HA 0.071 4.397 4.320 0.009 0.000 0.217 517 A C 2.210 179.827 177.584 0.055 0.000 1.175 517 A CA 1.672 53.734 52.037 0.042 0.000 0.627 517 A CB -0.678 18.343 19.000 0.034 0.000 0.815 517 A HN 0.361 nan 8.150 nan 0.000 0.443 518 V N 0.083 120.044 119.914 0.077 0.000 2.323 518 V HA -0.185 3.940 4.120 0.009 0.000 0.244 518 V C 2.504 178.661 176.094 0.106 0.000 1.041 518 V CA 1.665 64.028 62.300 0.105 0.000 1.025 518 V CB -0.742 31.174 31.823 0.155 0.000 0.656 518 V HN 0.560 nan 8.190 nan 0.000 0.451 519 L N -0.218 121.060 121.223 0.092 0.000 2.127 519 L HA -0.175 4.170 4.340 0.009 0.000 0.211 519 L C 2.702 179.608 176.870 0.060 0.000 1.089 519 L CA 1.355 56.237 54.840 0.071 0.000 0.757 519 L CB -0.639 41.452 42.059 0.055 0.000 0.899 519 L HN 0.399 nan 8.230 nan 0.000 0.434 520 E N 0.339 120.572 120.200 0.054 0.000 2.047 520 E HA -0.196 4.160 4.350 0.009 0.000 0.191 520 E C 2.336 178.963 176.600 0.045 0.000 0.987 520 E CA 1.385 57.810 56.400 0.042 0.000 0.799 520 E CB -0.142 29.577 29.700 0.031 0.000 0.752 520 E HN 0.491 nan 8.360 nan 0.000 0.449 521 A N 0.846 123.698 122.820 0.054 0.000 2.019 521 A HA -0.127 4.198 4.320 0.009 0.000 0.219 521 A C 1.978 179.603 177.584 0.069 0.000 1.164 521 A CA 0.986 53.057 52.037 0.058 0.000 0.644 521 A CB -0.137 18.902 19.000 0.066 0.000 0.805 521 A HN 0.101 nan 8.150 nan 0.000 0.449 522 L N -1.111 120.160 121.223 0.080 0.000 2.567 522 L HA 0.115 4.460 4.340 0.009 0.000 0.225 522 L C 2.891 179.806 176.870 0.074 0.000 1.119 522 L CA 1.141 56.034 54.840 0.089 0.000 0.871 522 L CB -1.302 40.822 42.059 0.107 0.000 1.036 522 L HN 0.497 nan 8.230 nan 0.000 0.459 523 R N 0.178 120.714 120.500 0.060 0.000 2.140 523 R HA -0.212 4.133 4.340 0.009 0.000 0.250 523 R C 2.024 178.356 176.300 0.053 0.000 1.150 523 R CA 2.202 58.334 56.100 0.052 0.000 0.966 523 R CB -1.277 29.047 30.300 0.041 0.000 0.869 523 R HN 0.484 nan 8.270 nan 0.000 0.445 524 E N -1.171 119.058 120.200 0.048 0.000 2.478 524 E HA 0.284 4.639 4.350 0.009 0.000 0.194 524 E C 2.157 178.784 176.600 0.045 0.000 1.045 524 E CA 0.572 56.995 56.400 0.039 0.000 0.868 524 E CB 0.199 29.917 29.700 0.030 0.000 0.885 524 E HN 0.672 nan 8.360 nan 0.000 0.505 525 A N 0.113 122.975 122.820 0.069 0.000 1.930 525 A HA -0.035 4.290 4.320 0.009 0.000 0.215 525 A C 0.856 178.508 177.584 0.112 0.000 1.176 525 A CA 0.923 53.011 52.037 0.085 0.000 0.632 525 A CB 0.171 19.236 19.000 0.107 0.000 0.819 525 A HN 0.223 nan 8.150 nan 0.000 0.445 526 H N -2.382 116.697 119.070 0.015 0.000 2.996 526 H HA 0.314 4.876 4.556 0.009 0.000 0.368 526 H C -2.567 172.763 175.328 0.004 0.000 1.185 526 H CA -1.353 54.700 56.048 0.008 0.000 1.160 526 H CB 2.060 31.822 29.762 0.001 0.000 1.820 526 H HN -0.092 nan 8.280 nan 0.000 0.547 527 P HA -0.021 nan 4.420 nan 0.000 0.220 527 P C 1.647 179.056 177.300 0.182 0.000 1.148 527 P CA 0.689 63.868 63.100 0.131 0.000 0.803 527 P CB 0.437 32.166 31.700 0.048 0.000 0.782 528 I N -1.069 119.697 120.570 0.328 0.000 2.756 528 I HA -0.157 4.019 4.170 0.009 0.000 0.262 528 I C 1.671 177.795 176.117 0.012 0.000 1.225 528 I CA 0.797 62.146 61.300 0.082 0.000 1.472 528 I CB 0.107 38.047 38.000 -0.101 0.000 1.094 528 I HN -0.202 nan 8.210 nan 0.000 0.454 529 V N 1.167 121.106 119.914 0.042 0.000 2.379 529 V HA -0.218 3.908 4.120 0.009 0.000 0.245 529 V C 2.920 179.031 176.094 0.029 0.000 1.044 529 V CA 2.242 64.554 62.300 0.019 0.000 1.036 529 V CB -1.128 30.719 31.823 0.041 0.000 0.664 529 V HN 0.619 nan 8.190 nan 0.000 0.453 530 E N 0.124 120.348 120.200 0.039 0.000 2.051 530 E HA -0.277 4.078 4.350 0.009 0.000 0.192 530 E C 2.129 178.746 176.600 0.029 0.000 0.991 530 E CA 1.444 57.864 56.400 0.034 0.000 0.799 530 E CB -0.520 29.200 29.700 0.032 0.000 0.748 530 E HN 0.424 nan 8.360 nan 0.000 0.449 531 K N -0.076 120.336 120.400 0.020 0.000 2.074 531 K HA -0.020 4.306 4.320 0.009 0.000 0.209 531 K C 2.158 178.768 176.600 0.017 0.000 1.048 531 K CA 1.297 57.588 56.287 0.007 0.000 0.926 531 K CB -0.576 31.911 32.500 -0.021 0.000 0.713 531 K HN 0.547 nan 8.250 nan 0.000 0.444 532 I N 0.524 121.095 120.570 0.001 0.000 2.394 532 I HA -0.237 3.938 4.170 0.009 0.000 0.251 532 I C 2.149 178.321 176.117 0.091 0.000 1.136 532 I CA 0.717 62.025 61.300 0.013 0.000 1.425 532 I CB -0.134 37.855 38.000 -0.019 0.000 1.079 532 I HN 0.034 nan 8.210 nan 0.000 0.425 533 L N -0.035 121.226 121.223 0.064 0.000 2.093 533 L HA -0.214 4.131 4.340 0.009 0.000 0.208 533 L C 2.612 179.523 176.870 0.068 0.000 1.085 533 L CA 1.367 56.246 54.840 0.066 0.000 0.755 533 L CB -0.441 41.646 42.059 0.047 0.000 0.904 533 L HN 0.316 nan 8.230 nan 0.000 0.435 534 Q N -1.268 118.571 119.800 0.064 0.000 2.123 534 Q HA -0.232 4.113 4.340 0.009 0.000 0.199 534 Q C 2.071 178.104 176.000 0.054 0.000 0.966 534 Q CA 1.567 57.398 55.803 0.047 0.000 0.845 534 Q CB -0.305 28.453 28.738 0.034 0.000 0.907 534 Q HN 0.476 nan 8.270 nan 0.000 0.439 535 Y N 1.791 122.064 120.300 -0.045 0.000 2.145 535 Y HA -0.195 4.360 4.550 0.009 0.000 0.286 535 Y C 2.188 178.066 175.900 -0.037 0.000 1.145 535 Y CA 1.474 59.537 58.100 -0.062 0.000 1.148 535 Y CB 0.060 38.460 38.460 -0.100 0.000 0.981 535 Y HN -0.100 nan 8.280 nan 0.000 0.507 536 R N 0.439 121.025 120.500 0.143 0.000 2.120 536 R HA -0.189 4.156 4.340 0.009 0.000 0.234 536 R C 2.267 178.553 176.300 -0.024 0.000 1.123 536 R CA 1.625 57.765 56.100 0.067 0.000 0.975 536 R CB -0.463 29.911 30.300 0.124 0.000 0.866 536 R HN 0.603 nan 8.270 nan 0.000 0.446 537 E N 0.985 121.177 120.200 -0.013 0.000 2.015 537 E HA -0.147 4.209 4.350 0.009 0.000 0.191 537 E C 2.140 178.712 176.600 -0.046 0.000 0.991 537 E CA 0.785 57.178 56.400 -0.011 0.000 0.802 537 E CB -0.000 29.701 29.700 0.002 0.000 0.759 537 E HN 0.162 nan 8.360 nan 0.000 0.447 538 L N 0.935 122.104 121.223 -0.090 0.000 1.956 538 L HA -0.238 4.108 4.340 0.009 0.000 0.216 538 L C 3.018 179.796 176.870 -0.153 0.000 1.073 538 L CA 2.381 57.151 54.840 -0.116 0.000 0.762 538 L CB -1.548 40.420 42.059 -0.152 0.000 0.889 538 L HN 0.441 nan 8.230 nan 0.000 0.433 539 T N -2.033 112.346 114.554 -0.292 0.000 2.759 539 T HA -0.265 4.091 4.350 0.009 0.000 0.269 539 T C 1.766 176.379 174.700 -0.145 0.000 1.042 539 T CA 1.651 63.575 62.100 -0.294 0.000 1.140 539 T CB -0.257 68.301 68.868 -0.517 0.000 0.864 539 T HN 0.109 nan 8.240 nan 0.000 0.455 540 K N 1.323 121.667 120.400 -0.093 0.000 2.025 540 K HA 0.158 4.483 4.320 0.009 0.000 0.207 540 K C 2.245 178.854 176.600 0.015 0.000 1.049 540 K CA 1.031 57.299 56.287 -0.031 0.000 0.933 540 K CB -0.733 31.776 32.500 0.015 0.000 0.714 540 K HN 0.425 nan 8.250 nan 0.000 0.438 541 L N 0.569 121.836 121.223 0.074 0.000 1.994 541 L HA -0.175 4.171 4.340 0.009 0.000 0.208 541 L C 2.602 179.560 176.870 0.147 0.000 1.071 541 L CA 1.825 56.790 54.840 0.209 0.000 0.745 541 L CB -0.535 41.600 42.059 0.127 0.000 0.892 541 L HN 0.244 nan 8.230 nan 0.000 0.431 542 K N 0.253 120.670 120.400 0.028 0.000 2.026 542 K HA -0.199 4.126 4.320 0.009 0.000 0.208 542 K C 2.292 178.874 176.600 -0.031 0.000 1.048 542 K CA 1.811 58.096 56.287 -0.004 0.000 0.929 542 K CB -0.178 32.292 32.500 -0.050 0.000 0.713 542 K HN 0.245 nan 8.250 nan 0.000 0.439 543 S N -1.299 114.361 115.700 -0.067 0.000 2.461 543 S HA -0.053 4.422 4.470 0.009 0.000 0.228 543 S C 1.500 176.017 174.600 -0.138 0.000 1.005 543 S CA 1.353 59.501 58.200 -0.086 0.000 0.942 543 S CB -0.213 62.937 63.200 -0.083 0.000 0.776 543 S HN 0.424 nan 8.310 nan 0.000 0.514 544 T N -0.319 114.093 114.554 -0.238 0.000 3.040 544 T HA 0.298 4.654 4.350 0.009 0.000 0.252 544 T C 0.765 175.084 174.700 -0.635 0.000 1.064 544 T CA 0.517 62.314 62.100 -0.506 0.000 1.110 544 T CB -0.130 68.249 68.868 -0.814 0.000 0.921 544 T HN 0.579 nan 8.240 nan 0.000 0.480 545 Y N -0.021 120.300 120.300 0.036 0.000 2.817 545 Y HA 0.470 5.026 4.550 0.010 0.000 0.257 545 Y C 2.037 177.972 175.900 0.058 0.000 1.055 545 Y CA -0.861 57.282 58.100 0.072 0.000 1.319 545 Y CB -0.323 38.196 38.460 0.098 0.000 1.481 545 Y HN -0.054 nan 8.280 nan 0.000 0.471 546 I N 0.911 121.606 120.570 0.208 0.000 2.185 546 I HA -0.329 3.846 4.170 0.009 0.000 0.246 546 I C 1.419 177.565 176.117 0.048 0.000 1.088 546 I CA 1.971 63.331 61.300 0.102 0.000 1.347 546 I CB -0.216 37.813 38.000 0.049 0.000 1.041 546 I HN 0.320 nan 8.210 nan 0.000 0.415 547 D N 0.063 120.476 120.400 0.021 0.000 2.197 547 D HA -0.029 4.616 4.640 0.009 0.000 0.212 547 D C -0.410 175.890 176.300 0.000 0.000 0.963 547 D CA 1.015 55.015 54.000 -0.001 0.000 0.864 547 D CB -1.494 39.293 40.800 -0.021 0.000 1.009 547 D HN 0.286 nan 8.370 nan 0.000 0.479 548 P HA -0.041 nan 4.420 nan 0.000 0.216 548 P C 2.024 179.339 177.300 0.025 0.000 1.153 548 P CA 0.685 63.781 63.100 -0.007 0.000 0.844 548 P CB 0.114 31.795 31.700 -0.031 0.000 0.787 549 L N 0.119 121.382 121.223 0.066 0.000 1.990 549 L HA -0.146 4.199 4.340 0.009 0.000 0.213 549 L C -0.139 176.764 176.870 0.054 0.000 1.072 549 L CA 2.383 57.275 54.840 0.087 0.000 0.755 549 L CB -2.683 39.454 42.059 0.129 0.000 0.889 549 L HN 0.038 nan 8.230 nan 0.000 0.432 550 P HA -0.162 nan 4.420 nan 0.000 0.218 550 P C 0.731 178.053 177.300 0.036 0.000 1.146 550 P CA 1.391 64.508 63.100 0.029 0.000 0.813 550 P CB -0.041 31.671 31.700 0.021 0.000 0.778 551 D N -1.805 118.609 120.400 0.024 0.000 2.363 551 D HA 0.001 4.646 4.640 0.009 0.000 0.220 551 D C 1.080 177.386 176.300 0.010 0.000 0.994 551 D CA 0.611 54.615 54.000 0.005 0.000 0.890 551 D CB -0.112 40.672 40.800 -0.027 0.000 0.906 551 D HN 0.101 nan 8.370 nan 0.000 0.530 552 L N 0.543 121.806 121.223 0.065 0.000 2.667 552 L HA 0.152 4.498 4.340 0.009 0.000 0.232 552 L C 0.204 177.292 176.870 0.364 0.000 1.138 552 L CA -0.217 54.712 54.840 0.147 0.000 0.921 552 L CB -0.033 42.111 42.059 0.141 0.000 1.180 552 L HN -0.104 nan 8.230 nan 0.000 0.487 553 I N 0.332 121.055 120.570 0.254 0.000 2.598 553 I HA -0.049 4.126 4.170 0.009 0.000 0.284 553 I C 0.942 177.287 176.117 0.380 0.000 1.140 553 I CA 0.112 61.563 61.300 0.251 0.000 1.420 553 I CB -0.049 38.026 38.000 0.125 0.000 1.387 553 I HN 0.169 nan 8.210 nan 0.000 0.553 554 H N 9.566 128.785 119.070 0.248 0.000 2.732 554 H HA 0.110 4.672 4.556 0.009 0.000 0.351 554 H C -1.568 173.785 175.328 0.042 0.000 1.090 554 H CA -1.100 54.967 56.048 0.032 0.000 1.431 554 H CB 1.664 31.318 29.762 -0.180 0.000 1.447 554 H HN 0.344 nan 8.280 nan 0.000 0.582 555 P HA -0.105 nan 4.420 nan 0.000 0.215 555 P C 1.039 178.362 177.300 0.039 0.000 1.157 555 P CA 1.245 64.291 63.100 -0.091 0.000 0.863 555 P CB 0.323 31.933 31.700 -0.149 0.000 0.787 556 R N -0.375 120.222 120.500 0.162 0.000 2.235 556 R HA -0.011 4.335 4.340 0.009 0.000 0.213 556 R C 2.255 178.639 176.300 0.140 0.000 1.059 556 R CA 1.814 58.017 56.100 0.172 0.000 0.997 556 R CB -0.673 29.731 30.300 0.174 0.000 0.884 556 R HN 0.394 nan 8.270 nan 0.000 0.462 557 T N -5.398 109.291 114.554 0.225 0.000 2.987 557 T HA 0.202 4.558 4.350 0.009 0.000 0.248 557 T C 1.503 176.258 174.700 0.092 0.000 0.997 557 T CA 0.497 62.670 62.100 0.121 0.000 1.013 557 T CB 0.759 69.740 68.868 0.188 0.000 1.077 557 T HN 0.233 nan 8.240 nan 0.000 0.483 558 G N 1.879 110.752 108.800 0.122 0.000 2.155 558 G HA2 -0.245 3.720 3.960 0.009 0.000 0.257 558 G HA3 -0.245 3.720 3.960 0.009 0.000 0.257 558 G C 0.106 175.019 174.900 0.022 0.000 0.983 558 G CA 0.406 45.544 45.100 0.063 0.000 0.676 558 G HN 0.784 nan 8.290 nan 0.000 0.528 559 R N -1.326 119.185 120.500 0.018 0.000 2.902 559 R HA 0.785 5.131 4.340 0.009 0.000 0.258 559 R C 0.002 176.168 176.300 -0.223 0.000 1.071 559 R CA -1.004 55.011 56.100 -0.142 0.000 1.024 559 R CB 1.192 31.345 30.300 -0.245 0.000 1.184 559 R HN 0.123 nan 8.270 nan 0.000 0.492 560 L N 1.784 122.844 121.223 -0.271 0.000 2.289 560 L HA 0.349 4.694 4.340 0.009 0.000 0.285 560 L C -0.706 175.957 176.870 -0.345 0.000 1.049 560 L CA -0.356 54.402 54.840 -0.136 0.000 0.804 560 L CB 0.947 43.018 42.059 0.021 0.000 1.195 560 L HN 0.543 nan 8.230 nan 0.000 0.428 561 H N 1.145 120.296 119.070 0.134 0.000 2.786 561 H HA 0.274 4.835 4.556 0.009 0.000 0.284 561 H C -0.232 175.151 175.328 0.091 0.000 1.104 561 H CA -0.396 55.698 56.048 0.076 0.000 1.339 561 H CB 1.079 30.822 29.762 -0.031 0.000 1.427 561 H HN 0.466 nan 8.280 nan 0.000 0.497 562 T N 2.876 117.479 114.554 0.081 0.000 2.849 562 T HA 0.300 4.655 4.350 0.009 0.000 0.284 562 T C 0.556 175.153 174.700 -0.171 0.000 1.004 562 T CA -0.814 61.235 62.100 -0.085 0.000 1.021 562 T CB 0.601 69.284 68.868 -0.307 0.000 1.013 562 T HN 0.418 nan 8.240 nan 0.000 0.527 563 R N 0.716 121.079 120.500 -0.228 0.000 2.474 563 R HA 0.399 4.744 4.340 0.009 0.000 0.295 563 R C -1.251 174.822 176.300 -0.378 0.000 0.980 563 R CA -0.431 55.575 56.100 -0.156 0.000 0.934 563 R CB 0.733 31.010 30.300 -0.038 0.000 1.101 563 R HN 0.475 nan 8.270 nan 0.000 0.469 564 F N 2.175 122.144 119.950 0.032 0.000 2.359 564 F HA 0.256 4.788 4.527 0.009 0.000 0.370 564 F C 0.198 175.997 175.800 -0.002 0.000 1.077 564 F CA -0.866 57.142 58.000 0.013 0.000 1.136 564 F CB 0.778 39.778 39.000 -0.001 0.000 1.387 564 F HN 0.189 nan 8.300 nan 0.000 0.468 565 N N 3.581 122.342 118.700 0.101 0.000 2.452 565 N HA -0.027 4.718 4.740 0.009 0.000 0.266 565 N C 0.975 176.489 175.510 0.007 0.000 1.175 565 N CA 0.074 53.144 53.050 0.034 0.000 0.945 565 N CB 1.265 39.753 38.487 0.002 0.000 1.063 565 N HN 0.709 nan 8.380 nan 0.000 0.472 566 Q N 1.218 120.986 119.800 -0.054 0.000 2.398 566 Q HA -0.026 4.319 4.340 0.009 0.000 0.204 566 Q C 0.073 175.798 176.000 -0.458 0.000 0.932 566 Q CA 0.697 56.425 55.803 -0.126 0.000 0.916 566 Q CB 0.455 29.154 28.738 -0.065 0.000 1.024 566 Q HN 0.700 nan 8.270 nan 0.000 0.504 567 T N -3.443 110.779 114.554 -0.554 0.000 3.585 567 T HA 0.697 5.052 4.350 0.009 0.000 0.252 567 T C 0.017 174.427 174.700 -0.483 0.000 1.382 567 T CA -0.074 61.343 62.100 -1.137 0.000 1.584 567 T CB 1.263 69.701 68.868 -0.716 0.000 0.892 567 T HN 0.119 nan 8.240 nan 0.000 0.671 568 A N 0.573 123.243 122.820 -0.250 0.000 2.312 568 A HA 0.564 4.890 4.320 0.009 0.000 0.215 568 A C 0.918 178.560 177.584 0.096 0.000 1.256 568 A CA -0.061 51.963 52.037 -0.021 0.000 0.966 568 A CB 0.615 19.608 19.000 -0.010 0.000 1.053 568 A HN 0.562 nan 8.150 nan 0.000 0.510 569 T N -1.322 113.344 114.554 0.187 0.000 2.912 569 T HA 0.553 4.908 4.350 0.009 0.000 0.288 569 T C 1.035 175.881 174.700 0.244 0.000 1.030 569 T CA 0.232 62.446 62.100 0.189 0.000 1.020 569 T CB 1.588 70.544 68.868 0.146 0.000 1.056 569 T HN 0.397 nan 8.240 nan 0.000 0.480 570 A N 1.441 124.336 122.820 0.125 0.000 2.119 570 A HA 0.082 4.407 4.320 0.009 0.000 0.216 570 A C 2.038 179.639 177.584 0.028 0.000 1.152 570 A CA 1.604 53.685 52.037 0.074 0.000 0.708 570 A CB -0.625 18.401 19.000 0.045 0.000 0.805 570 A HN 0.884 nan 8.150 nan 0.000 0.460 571 T N -5.664 108.913 114.554 0.039 0.000 3.022 571 T HA 0.426 4.781 4.350 0.009 0.000 0.250 571 T C 1.309 176.030 174.700 0.034 0.000 1.060 571 T CA 1.116 63.221 62.100 0.009 0.000 1.013 571 T CB 0.408 69.263 68.868 -0.022 0.000 0.982 571 T HN 1.522 nan 8.240 nan 0.000 0.508 572 G N 1.517 110.387 108.800 0.117 0.000 2.163 572 G HA2 -0.172 3.793 3.960 0.009 0.000 0.213 572 G HA3 -0.172 3.793 3.960 0.009 0.000 0.213 572 G C 0.121 175.144 174.900 0.205 0.000 0.991 572 G CA -0.520 44.689 45.100 0.182 0.000 0.653 572 G HN 0.578 nan 8.290 nan 0.000 0.518 573 R N -0.068 120.535 120.500 0.172 0.000 2.531 573 R HA 0.630 4.975 4.340 0.009 0.000 0.273 573 R C 0.995 177.416 176.300 0.201 0.000 1.070 573 R CA -0.381 55.824 56.100 0.175 0.000 1.112 573 R CB 0.766 31.150 30.300 0.141 0.000 1.049 573 R HN 0.285 nan 8.270 nan 0.000 0.508 574 L N 0.232 121.580 121.223 0.209 0.000 2.490 574 L HA 0.329 4.675 4.340 0.009 0.000 0.245 574 L C 0.827 177.827 176.870 0.218 0.000 1.185 574 L CA -0.296 54.652 54.840 0.179 0.000 0.813 574 L CB 0.731 42.898 42.059 0.181 0.000 1.233 574 L HN 0.695 nan 8.230 nan 0.000 0.489 575 S N -1.138 114.672 115.700 0.183 0.000 2.588 575 S HA 0.534 5.009 4.470 0.009 0.000 0.275 575 S C -1.057 173.603 174.600 0.099 0.000 1.130 575 S CA -0.678 57.620 58.200 0.164 0.000 0.855 575 S CB 1.985 65.250 63.200 0.108 0.000 1.116 575 S HN 0.437 nan 8.310 nan 0.000 0.472 576 S N 1.200 116.921 115.700 0.035 0.000 2.478 576 S HA 0.769 5.244 4.470 0.009 0.000 0.312 576 S C -0.672 173.884 174.600 -0.074 0.000 1.094 576 S CA -0.431 57.690 58.200 -0.131 0.000 1.081 576 S CB 1.266 64.384 63.200 -0.137 0.000 1.007 576 S HN 0.810 nan 8.310 nan 0.000 0.475 577 S N 2.975 118.612 115.700 -0.105 0.000 2.715 577 S HA 0.680 5.156 4.470 0.009 0.000 0.307 577 S C -0.556 174.030 174.600 -0.022 0.000 1.119 577 S CA -0.358 57.819 58.200 -0.037 0.000 0.937 577 S CB 0.484 63.675 63.200 -0.016 0.000 1.150 577 S HN 0.902 nan 8.310 nan 0.000 0.521 578 D N 0.356 120.761 120.400 0.008 0.000 3.452 578 D HA -0.144 4.501 4.640 0.009 0.000 0.164 578 D C -2.674 173.646 176.300 0.034 0.000 1.074 578 D CA 0.918 54.934 54.000 0.027 0.000 1.069 578 D CB -2.213 38.626 40.800 0.065 0.000 0.527 578 D HN 0.469 nan 8.370 nan 0.000 0.558 579 P HA 0.111 nan 4.420 nan 0.000 0.258 579 P C -0.221 177.109 177.300 0.050 0.000 1.187 579 P CA 0.338 63.491 63.100 0.089 0.000 0.767 579 P CB 0.052 31.839 31.700 0.144 0.000 0.770 580 N N 3.838 122.579 118.700 0.068 0.000 2.437 580 N HA 0.112 4.857 4.740 0.009 0.000 0.243 580 N C 0.162 175.744 175.510 0.121 0.000 1.041 580 N CA -0.091 52.993 53.050 0.056 0.000 0.940 580 N CB -0.093 38.436 38.487 0.071 0.000 1.133 580 N HN 0.281 nan 8.380 nan 0.000 0.506 581 L N 2.388 123.664 121.223 0.088 0.000 2.700 581 L HA 0.217 4.562 4.340 0.009 0.000 0.234 581 L C 1.271 178.240 176.870 0.166 0.000 1.156 581 L CA 0.100 55.029 54.840 0.148 0.000 0.946 581 L CB 0.102 42.267 42.059 0.178 0.000 1.216 581 L HN 0.498 nan 8.230 nan 0.000 0.493 582 Q N 0.843 120.720 119.800 0.128 0.000 2.319 582 Q HA 0.052 4.397 4.340 0.009 0.000 0.202 582 Q C 0.499 176.576 176.000 0.129 0.000 0.896 582 Q CA 0.215 56.092 55.803 0.123 0.000 0.942 582 Q CB 0.272 29.047 28.738 0.061 0.000 1.083 582 Q HN 0.688 nan 8.270 nan 0.000 0.510 583 N N -1.310 117.449 118.700 0.099 0.000 2.387 583 N HA 0.135 4.880 4.740 0.009 0.000 0.259 583 N C -0.422 175.056 175.510 -0.052 0.000 1.369 583 N CA -0.331 52.761 53.050 0.070 0.000 0.867 583 N CB 0.618 39.197 38.487 0.154 0.000 1.341 583 N HN -0.109 nan 8.380 nan 0.000 0.495 584 I N 1.782 122.219 120.570 -0.221 0.000 2.710 584 I HA 0.140 4.315 4.170 0.009 0.000 0.286 584 I C -1.746 174.033 176.117 -0.562 0.000 1.181 584 I CA -1.830 59.168 61.300 -0.503 0.000 1.430 584 I CB -0.430 37.166 38.000 -0.673 0.000 1.367 584 I HN 0.097 nan 8.210 nan 0.000 0.577 585 P HA 0.008 nan 4.420 nan 0.000 0.266 585 P C 0.470 177.566 177.300 -0.340 0.000 1.193 585 P CA 0.341 63.181 63.100 -0.432 0.000 0.770 585 P CB 1.025 32.477 31.700 -0.415 0.000 0.836 586 V N 2.492 122.266 119.914 -0.234 0.000 3.188 586 V HA 0.086 4.212 4.120 0.009 0.000 0.258 586 V C 1.911 177.935 176.094 -0.116 0.000 1.702 586 V CA 0.464 62.643 62.300 -0.202 0.000 1.020 586 V CB -0.057 31.621 31.823 -0.242 0.000 0.884 586 V HN 0.387 nan 8.190 nan 0.000 0.399 587 R N 1.034 121.482 120.500 -0.088 0.000 2.056 587 R HA 0.011 4.356 4.340 0.009 0.000 0.227 587 R C 1.241 177.521 176.300 -0.033 0.000 1.149 587 R CA 1.893 57.966 56.100 -0.046 0.000 0.937 587 R CB -0.262 30.022 30.300 -0.026 0.000 0.835 587 R HN 0.653 nan 8.270 nan 0.000 0.430 588 T N -2.037 112.498 114.554 -0.031 0.000 2.902 588 T HA 0.242 4.598 4.350 0.009 0.000 0.280 588 T C -1.994 172.694 174.700 -0.020 0.000 0.992 588 T CA -1.841 60.248 62.100 -0.018 0.000 1.015 588 T CB 1.540 70.403 68.868 -0.009 0.000 1.044 588 T HN -0.088 nan 8.240 nan 0.000 0.520 589 P HA -0.103 nan 4.420 nan 0.000 0.214 589 P C 1.684 178.984 177.300 -0.001 0.000 1.163 589 P CA 0.581 63.679 63.100 -0.004 0.000 0.889 589 P CB -0.086 31.614 31.700 -0.000 0.000 0.790 590 L N -0.600 120.620 121.223 -0.004 0.000 2.201 590 L HA 0.040 4.386 4.340 0.009 0.000 0.212 590 L C 2.177 179.044 176.870 -0.006 0.000 1.105 590 L CA 2.127 56.966 54.840 -0.001 0.000 0.775 590 L CB -1.531 40.523 42.059 -0.007 0.000 0.913 590 L HN -0.064 nan 8.230 nan 0.000 0.440 591 G N -1.299 107.484 108.800 -0.029 0.000 2.402 591 G HA2 -0.251 3.714 3.960 0.009 0.000 0.216 591 G HA3 -0.251 3.714 3.960 0.009 0.000 0.216 591 G C 1.462 176.316 174.900 -0.076 0.000 1.162 591 G CA 0.677 45.731 45.100 -0.076 0.000 0.777 591 G HN 0.526 nan 8.290 nan 0.000 0.539 592 Q N -0.161 119.612 119.800 -0.045 0.000 2.119 592 Q HA -0.011 4.334 4.340 0.009 0.000 0.201 592 Q C 2.796 178.816 176.000 0.033 0.000 0.972 592 Q CA 0.763 56.548 55.803 -0.031 0.000 0.847 592 Q CB -0.078 28.648 28.738 -0.020 0.000 0.903 592 Q HN 0.427 nan 8.270 nan 0.000 0.433 593 R N 0.120 120.661 120.500 0.068 0.000 2.115 593 R HA -0.064 4.281 4.340 0.009 0.000 0.230 593 R C 2.113 178.571 176.300 0.263 0.000 1.111 593 R CA 0.986 57.188 56.100 0.170 0.000 0.976 593 R CB -0.194 30.179 30.300 0.122 0.000 0.870 593 R HN 0.276 nan 8.270 nan 0.000 0.445 594 I N 0.260 120.922 120.570 0.153 0.000 2.286 594 I HA -0.210 3.965 4.170 0.009 0.000 0.245 594 I C 2.707 178.972 176.117 0.247 0.000 1.104 594 I CA 0.977 62.390 61.300 0.189 0.000 1.397 594 I CB -0.205 37.833 38.000 0.064 0.000 1.072 594 I HN 0.096 nan 8.210 nan 0.000 0.417 595 R N 1.223 121.788 120.500 0.107 0.000 2.120 595 R HA -0.133 4.213 4.340 0.009 0.000 0.234 595 R C 2.309 178.767 176.300 0.264 0.000 1.123 595 R CA 1.215 57.373 56.100 0.097 0.000 0.975 595 R CB -0.091 30.098 30.300 -0.185 0.000 0.866 595 R HN 0.229 nan 8.270 nan 0.000 0.446 596 R N -0.372 120.231 120.500 0.171 0.000 2.241 596 R HA -0.047 4.298 4.340 0.009 0.000 0.224 596 R C 2.004 178.303 176.300 -0.001 0.000 1.101 596 R CA 0.930 57.077 56.100 0.078 0.000 0.995 596 R CB -0.099 30.196 30.300 -0.009 0.000 0.870 596 R HN 0.251 nan 8.270 nan 0.000 0.463 597 A N 0.451 123.338 122.820 0.113 0.000 2.067 597 A HA -0.063 4.263 4.320 0.009 0.000 0.219 597 A C 0.330 177.864 177.584 -0.084 0.000 1.158 597 A CA 0.610 52.642 52.037 -0.008 0.000 0.661 597 A CB -0.118 18.969 19.000 0.145 0.000 0.801 597 A HN 0.099 nan 8.150 nan 0.000 0.452 598 F N 0.974 120.992 119.950 0.112 0.000 2.438 598 F HA 0.478 5.011 4.527 0.010 0.000 0.360 598 F C 0.345 176.197 175.800 0.087 0.000 1.118 598 F CA -0.535 57.552 58.000 0.146 0.000 1.164 598 F CB 0.368 39.571 39.000 0.340 0.000 1.131 598 F HN 0.226 nan 8.300 nan 0.000 0.527 599 I N 0.144 120.767 120.570 0.088 0.000 3.042 599 I HA 0.934 5.110 4.170 0.009 0.000 0.310 599 I C -0.598 175.529 176.117 0.017 0.000 1.117 599 I CA -1.490 59.838 61.300 0.047 0.000 1.003 599 I CB 1.804 39.797 38.000 -0.011 0.000 1.228 599 I HN 0.422 nan 8.210 nan 0.000 0.443 600 A N 2.032 124.869 122.820 0.029 0.000 2.304 600 A HA 0.429 4.755 4.320 0.009 0.000 0.271 600 A C -0.103 177.482 177.584 0.002 0.000 1.091 600 A CA -0.225 51.828 52.037 0.027 0.000 0.812 600 A CB 0.557 19.622 19.000 0.108 0.000 1.056 600 A HN 0.818 nan 8.150 nan 0.000 0.489 601 E N 0.782 120.931 120.200 -0.085 0.000 2.384 601 E HA 0.217 4.572 4.350 0.009 0.000 0.266 601 E C -0.361 176.290 176.600 0.086 0.000 1.012 601 E CA 0.117 56.444 56.400 -0.123 0.000 0.901 601 E CB 0.206 29.638 29.700 -0.447 0.000 0.967 601 E HN 0.556 nan 8.360 nan 0.000 0.435 602 E N 2.281 122.533 120.200 0.086 0.000 2.653 602 E HA 0.130 4.486 4.350 0.009 0.000 0.264 602 E C 1.036 177.792 176.600 0.260 0.000 0.949 602 E CA 1.544 58.024 56.400 0.134 0.000 0.953 602 E CB 0.103 29.854 29.700 0.083 0.000 0.925 602 E HN 0.805 nan 8.360 nan 0.000 0.475 603 G N 0.837 109.749 108.800 0.186 0.000 2.184 603 G HA2 -0.274 3.691 3.960 0.009 0.000 0.264 603 G HA3 -0.274 3.691 3.960 0.009 0.000 0.264 603 G C -0.493 174.460 174.900 0.087 0.000 0.975 603 G CA 0.109 45.285 45.100 0.128 0.000 0.642 603 G HN 0.409 nan 8.290 nan 0.000 0.536 604 W N -0.797 120.495 121.300 -0.014 0.000 2.804 604 W HA 0.848 5.513 4.660 0.008 0.000 0.352 604 W C 0.232 176.741 176.519 -0.017 0.000 1.153 604 W CA -1.027 56.307 57.345 -0.018 0.000 1.119 604 W CB 1.060 30.508 29.460 -0.019 0.000 1.448 604 W HN 0.066 nan 8.180 nan 0.000 0.600 605 L N 1.454 122.823 121.223 0.243 0.000 2.393 605 L HA 0.498 4.843 4.340 0.009 0.000 0.260 605 L C -0.898 176.047 176.870 0.125 0.000 1.002 605 L CA -1.125 53.794 54.840 0.131 0.000 0.818 605 L CB 1.893 43.986 42.059 0.057 0.000 1.369 605 L HN 0.099 nan 8.230 nan 0.000 0.412 606 L N 2.911 124.178 121.223 0.075 0.000 2.264 606 L HA 0.460 4.805 4.340 0.009 0.000 0.289 606 L C -0.727 176.153 176.870 0.017 0.000 1.044 606 L CA -0.709 54.148 54.840 0.029 0.000 0.807 606 L CB 1.647 43.710 42.059 0.007 0.000 1.192 606 L HN 0.246 nan 8.230 nan 0.000 0.425 607 V N 3.210 123.122 119.914 -0.002 0.000 2.347 607 V HA 0.548 4.673 4.120 0.009 0.000 0.280 607 V C 0.328 176.406 176.094 -0.027 0.000 1.021 607 V CA -0.531 61.767 62.300 -0.003 0.000 0.847 607 V CB 1.380 33.201 31.823 -0.004 0.000 0.990 607 V HN 0.833 nan 8.190 nan 0.000 0.444 608 A N 6.521 129.342 122.820 0.002 0.000 2.288 608 A HA 0.928 5.253 4.320 0.009 0.000 0.320 608 A C -0.945 176.656 177.584 0.028 0.000 1.217 608 A CA -0.426 51.621 52.037 0.017 0.000 0.840 608 A CB 0.679 19.750 19.000 0.119 0.000 1.179 608 A HN 0.745 nan 8.150 nan 0.000 0.504 609 L N 2.154 123.380 121.223 0.006 0.000 2.365 609 L HA 0.618 4.964 4.340 0.009 0.000 0.273 609 L C -0.547 176.316 176.870 -0.012 0.000 1.000 609 L CA -0.324 54.499 54.840 -0.028 0.000 0.819 609 L CB 2.175 44.182 42.059 -0.088 0.000 1.284 609 L HN 0.649 nan 8.230 nan 0.000 0.418 610 D N 1.253 121.646 120.400 -0.013 0.000 2.855 610 D HA 0.239 4.884 4.640 0.009 0.000 0.241 610 D C -1.137 175.196 176.300 0.055 0.000 1.277 610 D CA -0.465 53.570 54.000 0.059 0.000 0.918 610 D CB 1.219 42.090 40.800 0.119 0.000 1.462 610 D HN 0.240 nan 8.370 nan 0.000 0.559 611 Y N 1.125 121.469 120.300 0.074 0.000 2.597 611 Y HA 0.074 4.628 4.550 0.008 0.000 0.336 611 Y C 1.449 177.398 175.900 0.082 0.000 1.216 611 Y CA 0.556 58.691 58.100 0.058 0.000 1.463 611 Y CB 0.766 39.248 38.460 0.037 0.000 1.303 611 Y HN 0.151 nan 8.280 nan 0.000 0.576 612 S N 2.887 118.727 115.700 0.233 0.000 2.513 612 S HA 0.107 4.582 4.470 0.009 0.000 0.276 612 S C -0.139 174.570 174.600 0.182 0.000 1.254 612 S CA -0.666 57.649 58.200 0.192 0.000 1.053 612 S CB 0.075 63.364 63.200 0.149 0.000 0.958 612 S HN 0.766 nan 8.310 nan 0.000 0.491 613 Q N 2.446 122.391 119.800 0.241 0.000 2.378 613 Q HA -0.250 4.095 4.340 0.009 0.000 0.296 613 Q C 0.792 176.900 176.000 0.181 0.000 1.209 613 Q CA 0.641 56.589 55.803 0.243 0.000 0.910 613 Q CB -1.782 27.037 28.738 0.135 0.000 1.240 613 Q HN 0.807 nan 8.270 nan 0.000 0.499 614 I N 0.707 121.380 120.570 0.171 0.000 2.113 614 I HA -0.343 3.833 4.170 0.009 0.000 0.242 614 I C 2.019 178.125 176.117 -0.019 0.000 1.057 614 I CA 2.344 63.661 61.300 0.029 0.000 1.314 614 I CB -0.018 37.992 38.000 0.018 0.000 1.022 614 I HN 0.322 nan 8.210 nan 0.000 0.408 615 E N -0.473 119.777 120.200 0.084 0.000 2.418 615 E HA -0.089 4.266 4.350 0.009 0.000 0.197 615 E C 2.175 178.866 176.600 0.151 0.000 1.026 615 E CA 0.458 56.898 56.400 0.066 0.000 0.862 615 E CB -0.042 29.637 29.700 -0.034 0.000 0.799 615 E HN 0.546 nan 8.360 nan 0.000 0.518 616 L N -0.136 121.215 121.223 0.214 0.000 2.270 616 L HA -0.025 4.320 4.340 0.009 0.000 0.210 616 L C 2.317 179.179 176.870 -0.013 0.000 1.104 616 L CA 0.610 55.560 54.840 0.183 0.000 0.804 616 L CB -0.098 42.144 42.059 0.304 0.000 0.937 616 L HN 0.036 nan 8.230 nan 0.000 0.450 617 R N -0.651 119.647 120.500 -0.336 0.000 2.075 617 R HA -0.063 4.283 4.340 0.009 0.000 0.226 617 R C 2.257 178.364 176.300 -0.321 0.000 1.114 617 R CA 0.781 56.467 56.100 -0.691 0.000 0.972 617 R CB -0.253 29.613 30.300 -0.722 0.000 0.869 617 R HN 0.114 nan 8.270 nan 0.000 0.437 618 V N 1.577 121.356 119.914 -0.226 0.000 2.343 618 V HA -0.232 3.894 4.120 0.009 0.000 0.247 618 V C 2.187 178.177 176.094 -0.173 0.000 1.051 618 V CA 1.545 63.732 62.300 -0.188 0.000 1.036 618 V CB -0.395 31.323 31.823 -0.176 0.000 0.654 618 V HN 0.245 nan 8.190 nan 0.000 0.451 619 L N 0.712 121.829 121.223 -0.177 0.000 2.131 619 L HA -0.064 4.282 4.340 0.009 0.000 0.210 619 L C 2.333 179.053 176.870 -0.249 0.000 1.092 619 L CA 2.176 56.853 54.840 -0.272 0.000 0.759 619 L CB -0.699 41.257 42.059 -0.171 0.000 0.903 619 L HN 0.221 nan 8.230 nan 0.000 0.435 620 A N -1.846 120.898 122.820 -0.127 0.000 1.968 620 A HA -0.218 4.107 4.320 0.009 0.000 0.217 620 A C 2.348 179.895 177.584 -0.062 0.000 1.169 620 A CA 1.431 53.431 52.037 -0.061 0.000 0.638 620 A CB -0.890 18.156 19.000 0.077 0.000 0.812 620 A HN 0.688 nan 8.150 nan 0.000 0.446 621 H N -0.341 118.632 119.070 -0.161 0.000 2.415 621 H HA 0.134 4.695 4.556 0.008 0.000 0.297 621 H C 1.814 177.049 175.328 -0.156 0.000 1.048 621 H CA 1.207 57.179 56.048 -0.126 0.000 1.365 621 H CB 0.025 29.720 29.762 -0.111 0.000 1.421 621 H HN 0.400 nan 8.280 nan 0.000 0.533 622 L N 0.529 121.640 121.223 -0.186 0.000 2.072 622 L HA -0.120 4.225 4.340 0.009 0.000 0.205 622 L C 2.789 179.362 176.870 -0.496 0.000 1.079 622 L CA 1.415 56.045 54.840 -0.350 0.000 0.752 622 L CB -0.324 41.352 42.059 -0.639 0.000 0.906 622 L HN 0.307 nan 8.230 nan 0.000 0.436 623 S N -0.854 114.528 115.700 -0.529 0.000 2.470 623 S HA 0.030 4.506 4.470 0.009 0.000 0.225 623 S C 1.661 176.208 174.600 -0.088 0.000 1.006 623 S CA 0.525 58.556 58.200 -0.281 0.000 0.934 623 S CB 0.155 63.229 63.200 -0.210 0.000 0.778 623 S HN 0.509 nan 8.310 nan 0.000 0.517 624 G N 1.434 110.159 108.800 -0.126 0.000 2.168 624 G HA2 -0.311 3.655 3.960 0.009 0.000 0.257 624 G HA3 -0.311 3.655 3.960 0.009 0.000 0.257 624 G C -0.232 174.650 174.900 -0.029 0.000 0.997 624 G CA 0.388 45.439 45.100 -0.083 0.000 0.708 624 G HN 0.761 nan 8.290 nan 0.000 0.520 625 D N 0.637 121.026 120.400 -0.018 0.000 2.401 625 D HA 0.336 4.981 4.640 0.009 0.000 0.254 625 D C 1.910 178.225 176.300 0.025 0.000 1.192 625 D CA 0.309 54.321 54.000 0.021 0.000 0.885 625 D CB 0.583 41.410 40.800 0.045 0.000 1.147 625 D HN 0.414 nan 8.370 nan 0.000 0.478 626 E N 2.468 122.684 120.200 0.028 0.000 2.110 626 E HA -0.273 4.083 4.350 0.009 0.000 0.193 626 E C 1.806 178.427 176.600 0.036 0.000 0.988 626 E CA 1.403 57.818 56.400 0.025 0.000 0.804 626 E CB -1.169 28.540 29.700 0.016 0.000 0.745 626 E HN 0.615 nan 8.360 nan 0.000 0.458 627 N N 1.938 120.675 118.700 0.061 0.000 2.120 627 N HA -0.120 4.626 4.740 0.009 0.000 0.188 627 N C 2.029 177.609 175.510 0.117 0.000 1.024 627 N CA 1.588 54.692 53.050 0.089 0.000 0.852 627 N CB -0.654 37.902 38.487 0.114 0.000 1.003 627 N HN 0.090 nan 8.380 nan 0.000 0.424 628 L N 1.190 122.468 121.223 0.091 0.000 2.072 628 L HA 0.153 4.499 4.340 0.009 0.000 0.205 628 L C 2.437 179.291 176.870 -0.027 0.000 1.079 628 L CA 1.303 56.059 54.840 -0.140 0.000 0.752 628 L CB -0.434 41.447 42.059 -0.296 0.000 0.906 628 L HN 0.670 nan 8.230 nan 0.000 0.436 629 I N -2.756 117.852 120.570 0.064 0.000 2.286 629 I HA -0.207 3.968 4.170 0.009 0.000 0.248 629 I C 2.642 178.821 176.117 0.103 0.000 1.115 629 I CA 1.381 62.764 61.300 0.139 0.000 1.392 629 I CB -0.951 37.096 38.000 0.077 0.000 1.065 629 I HN 0.150 nan 8.210 nan 0.000 0.418 630 R N 1.595 122.113 120.500 0.031 0.000 2.075 630 R HA -0.005 4.341 4.340 0.009 0.000 0.232 630 R C 2.254 178.526 176.300 -0.047 0.000 1.126 630 R CA 1.875 57.978 56.100 0.006 0.000 0.963 630 R CB -2.001 28.296 30.300 -0.004 0.000 0.858 630 R HN 0.412 nan 8.270 nan 0.000 0.435 631 V N 0.327 120.153 119.914 -0.147 0.000 2.277 631 V HA -0.302 3.824 4.120 0.009 0.000 0.253 631 V C 2.400 178.273 176.094 -0.367 0.000 1.067 631 V CA 2.431 64.529 62.300 -0.336 0.000 1.047 631 V CB -0.670 30.766 31.823 -0.645 0.000 0.649 631 V HN 0.616 nan 8.190 nan 0.000 0.447 632 F N -0.629 119.295 119.950 -0.042 0.000 2.416 632 F HA -0.005 4.531 4.527 0.015 0.000 0.296 632 F C 2.462 178.254 175.800 -0.013 0.000 1.099 632 F CA 0.821 58.802 58.000 -0.031 0.000 1.427 632 F CB -0.535 38.442 39.000 -0.038 0.000 1.079 632 F HN 0.119 nan 8.300 nan 0.000 0.536 633 Q N 0.209 120.093 119.800 0.139 0.000 2.369 633 Q HA -0.087 4.258 4.340 0.009 0.000 0.206 633 Q C 1.913 177.941 176.000 0.047 0.000 0.963 633 Q CA 1.323 57.177 55.803 0.085 0.000 0.894 633 Q CB -0.104 28.670 28.738 0.060 0.000 0.965 633 Q HN 0.620 nan 8.270 nan 0.000 0.475 634 E N -0.321 119.891 120.200 0.021 0.000 2.476 634 E HA 0.245 4.601 4.350 0.009 0.000 0.196 634 E C 1.018 177.621 176.600 0.006 0.000 1.029 634 E CA 0.456 56.858 56.400 0.002 0.000 0.896 634 E CB -0.056 29.630 29.700 -0.023 0.000 1.012 634 E HN 0.439 nan 8.360 nan 0.000 0.475 635 G N 1.215 110.033 108.800 0.031 0.000 2.179 635 G HA2 -0.305 3.660 3.960 0.009 0.000 0.257 635 G HA3 -0.305 3.660 3.960 0.009 0.000 0.257 635 G C 0.511 175.421 174.900 0.016 0.000 1.010 635 G CA 0.395 45.522 45.100 0.045 0.000 0.736 635 G HN 0.518 nan 8.290 nan 0.000 0.513 636 R N 0.054 120.528 120.500 -0.044 0.000 2.615 636 R HA 0.432 4.778 4.340 0.009 0.000 0.270 636 R C -0.784 175.464 176.300 -0.086 0.000 1.081 636 R CA -0.398 55.654 56.100 -0.080 0.000 1.154 636 R CB 0.737 30.952 30.300 -0.141 0.000 1.063 636 R HN 0.210 nan 8.270 nan 0.000 0.519 637 D N 2.090 122.456 120.400 -0.056 0.000 2.462 637 D HA 0.148 4.793 4.640 0.009 0.000 0.245 637 D C 0.722 176.985 176.300 -0.063 0.000 1.122 637 D CA -0.435 53.542 54.000 -0.038 0.000 0.864 637 D CB 1.136 41.957 40.800 0.035 0.000 1.098 637 D HN 0.376 nan 8.370 nan 0.000 0.541 638 I N 2.993 123.467 120.570 -0.160 0.000 2.493 638 I HA -0.224 3.952 4.170 0.009 0.000 0.254 638 I C 1.961 178.081 176.117 0.005 0.000 1.160 638 I CA 0.748 61.971 61.300 -0.129 0.000 1.445 638 I CB -0.064 37.794 38.000 -0.236 0.000 1.086 638 I HN 0.474 nan 8.210 nan 0.000 0.433 639 H N -0.153 118.935 119.070 0.029 0.000 2.395 639 H HA -0.040 4.521 4.556 0.008 0.000 0.299 639 H C 2.401 177.783 175.328 0.090 0.000 1.070 639 H CA 1.681 57.757 56.048 0.047 0.000 1.356 639 H CB -0.718 29.071 29.762 0.045 0.000 1.401 639 H HN 0.247 nan 8.280 nan 0.000 0.524 640 T N 0.851 115.523 114.554 0.197 0.000 2.857 640 T HA -0.080 4.275 4.350 0.009 0.000 0.266 640 T C 1.825 176.618 174.700 0.154 0.000 1.048 640 T CA 1.121 63.312 62.100 0.151 0.000 1.139 640 T CB 0.050 68.979 68.868 0.102 0.000 0.874 640 T HN 0.490 nan 8.240 nan 0.000 0.455 641 E N 0.556 120.834 120.200 0.129 0.000 2.107 641 E HA -0.065 4.290 4.350 0.009 0.000 0.191 641 E C 2.308 179.044 176.600 0.226 0.000 0.982 641 E CA 1.104 57.586 56.400 0.136 0.000 0.809 641 E CB -0.145 29.594 29.700 0.065 0.000 0.756 641 E HN 0.325 nan 8.360 nan 0.000 0.459 642 T N 0.623 115.328 114.554 0.251 0.000 2.857 642 T HA -0.032 4.324 4.350 0.009 0.000 0.266 642 T C 1.933 176.867 174.700 0.390 0.000 1.048 642 T CA 1.000 63.314 62.100 0.357 0.000 1.139 642 T CB -0.043 69.029 68.868 0.340 0.000 0.874 642 T HN 0.209 nan 8.240 nan 0.000 0.455 643 A N 1.585 124.599 122.820 0.324 0.000 2.014 643 A HA -0.037 4.288 4.320 0.009 0.000 0.218 643 A C 2.526 180.367 177.584 0.429 0.000 1.163 643 A CA 1.824 54.099 52.037 0.397 0.000 0.652 643 A CB -0.676 18.530 19.000 0.344 0.000 0.808 643 A HN 0.570 nan 8.150 nan 0.000 0.449 644 S N -1.764 114.120 115.700 0.306 0.000 2.387 644 S HA -0.193 4.283 4.470 0.009 0.000 0.226 644 S C 1.755 176.511 174.600 0.260 0.000 1.026 644 S CA 1.280 59.626 58.200 0.244 0.000 0.972 644 S CB -0.684 62.624 63.200 0.180 0.000 0.814 644 S HN 0.760 nan 8.310 nan 0.000 0.477 645 W N 2.016 123.389 121.300 0.121 0.000 2.380 645 W HA 0.064 4.723 4.660 -0.001 0.000 0.317 645 W C 2.246 178.780 176.519 0.025 0.000 1.196 645 W CA 1.479 58.875 57.345 0.085 0.000 1.307 645 W CB -0.457 29.078 29.460 0.125 0.000 1.157 645 W HN 0.208 nan 8.180 nan 0.000 0.483 646 M N -0.287 119.297 119.600 -0.026 0.000 2.151 646 M HA -0.278 4.208 4.480 0.009 0.000 0.256 646 M C 1.861 177.805 176.300 -0.593 0.000 1.072 646 M CA 2.223 57.203 55.300 -0.533 0.000 1.090 646 M CB -1.131 31.207 32.600 -0.437 0.000 1.294 646 M HN -0.009 nan 8.290 nan 0.000 0.415 647 F N -0.201 119.649 119.950 -0.166 0.000 2.797 647 F HA 0.276 4.806 4.527 0.005 0.000 0.302 647 F C 1.492 177.211 175.800 -0.135 0.000 1.130 647 F CA 0.302 58.221 58.000 -0.134 0.000 1.387 647 F CB -0.714 38.247 39.000 -0.065 0.000 1.107 647 F HN 0.342 nan 8.300 nan 0.000 0.577 648 G N 1.925 110.715 108.800 -0.016 0.000 2.374 648 G HA2 -0.025 3.941 3.960 0.009 0.000 0.289 648 G HA3 -0.025 3.941 3.960 0.009 0.000 0.289 648 G C -0.443 174.479 174.900 0.037 0.000 1.004 648 G CA 0.280 45.361 45.100 -0.032 0.000 1.292 648 G HN 0.741 nan 8.290 nan 0.000 0.502 649 V N -1.879 118.078 119.914 0.071 0.000 3.120 649 V HA 0.933 5.059 4.120 0.009 0.000 0.303 649 V C -2.241 173.888 176.094 0.059 0.000 1.238 649 V CA -2.187 60.145 62.300 0.053 0.000 1.008 649 V CB 2.306 34.151 31.823 0.038 0.000 1.064 649 V HN 0.280 nan 8.190 nan 0.000 0.434 650 P HA 0.251 nan 4.420 nan 0.000 0.269 650 P C 0.337 177.664 177.300 0.046 0.000 1.217 650 P CA -0.006 63.120 63.100 0.042 0.000 0.783 650 P CB 0.733 32.449 31.700 0.028 0.000 0.898 651 R N 1.133 121.663 120.500 0.050 0.000 2.117 651 R HA -0.186 4.159 4.340 0.009 0.000 0.243 651 R C 2.076 178.396 176.300 0.034 0.000 1.143 651 R CA 2.025 58.156 56.100 0.052 0.000 0.968 651 R CB -0.596 29.733 30.300 0.048 0.000 0.863 651 R HN 0.649 nan 8.270 nan 0.000 0.444 652 E N 0.042 120.256 120.200 0.023 0.000 2.472 652 E HA -0.068 4.287 4.350 0.009 0.000 0.200 652 E C 1.360 177.962 176.600 0.003 0.000 1.046 652 E CA 0.900 57.309 56.400 0.014 0.000 0.871 652 E CB 0.034 29.741 29.700 0.012 0.000 0.806 652 E HN 0.384 nan 8.360 nan 0.000 0.533 653 A N 1.285 124.105 122.820 -0.000 0.000 2.220 653 A HA 0.154 4.479 4.320 0.009 0.000 0.211 653 A C 1.061 178.616 177.584 -0.049 0.000 1.176 653 A CA -0.244 51.781 52.037 -0.020 0.000 0.834 653 A CB 0.318 19.308 19.000 -0.015 0.000 0.868 653 A HN 0.083 nan 8.150 nan 0.000 0.488 654 V N 3.190 123.084 119.914 -0.033 0.000 2.521 654 V HA 0.163 4.289 4.120 0.009 0.000 0.286 654 V C -0.014 176.040 176.094 -0.067 0.000 1.034 654 V CA -0.194 62.068 62.300 -0.063 0.000 1.045 654 V CB 0.483 32.311 31.823 0.008 0.000 0.974 654 V HN 0.662 nan 8.190 nan 0.000 0.480 655 D N 5.888 126.215 120.400 -0.121 0.000 2.385 655 D HA 0.368 5.013 4.640 0.009 0.000 0.254 655 D C -2.036 174.226 176.300 -0.063 0.000 1.053 655 D CA -2.284 51.666 54.000 -0.083 0.000 0.992 655 D CB 1.427 42.169 40.800 -0.098 0.000 1.145 655 D HN 0.137 nan 8.370 nan 0.000 0.523 656 P HA -0.150 nan 4.420 nan 0.000 0.217 656 P C 1.616 178.907 177.300 -0.015 0.000 1.162 656 P CA 1.431 64.525 63.100 -0.010 0.000 0.901 656 P CB 0.079 31.776 31.700 -0.005 0.000 0.793 657 L N -2.679 118.522 121.223 -0.036 0.000 2.275 657 L HA -0.086 4.260 4.340 0.009 0.000 0.215 657 L C 2.537 179.397 176.870 -0.016 0.000 1.119 657 L CA 1.150 55.976 54.840 -0.023 0.000 0.790 657 L CB -0.632 41.410 42.059 -0.028 0.000 0.919 657 L HN -0.019 nan 8.230 nan 0.000 0.443 658 M N -1.128 118.409 119.600 -0.104 0.000 2.156 658 M HA -0.157 4.329 4.480 0.009 0.000 0.264 658 M C 2.471 178.839 176.300 0.114 0.000 1.067 658 M CA 1.442 56.638 55.300 -0.174 0.000 1.131 658 M CB -0.265 31.957 32.600 -0.629 0.000 1.368 658 M HN 0.125 nan 8.290 nan 0.000 0.416 659 R N 0.459 120.993 120.500 0.056 0.000 2.075 659 R HA -0.140 4.205 4.340 0.009 0.000 0.232 659 R C 2.265 178.599 176.300 0.056 0.000 1.126 659 R CA 1.492 57.654 56.100 0.103 0.000 0.963 659 R CB -0.174 30.182 30.300 0.093 0.000 0.858 659 R HN 0.239 nan 8.270 nan 0.000 0.435 660 R N 0.032 120.550 120.500 0.031 0.000 2.105 660 R HA -0.117 4.228 4.340 0.009 0.000 0.239 660 R C 2.045 178.348 176.300 0.005 0.000 1.135 660 R CA 1.532 57.628 56.100 -0.006 0.000 0.967 660 R CB -0.266 30.040 30.300 0.009 0.000 0.861 660 R HN 0.322 nan 8.270 nan 0.000 0.442 661 A N 0.401 123.268 122.820 0.077 0.000 1.972 661 A HA -0.073 4.253 4.320 0.009 0.000 0.219 661 A C 2.252 179.868 177.584 0.053 0.000 1.169 661 A CA 1.513 53.606 52.037 0.093 0.000 0.635 661 A CB -0.549 18.574 19.000 0.204 0.000 0.810 661 A HN 0.514 nan 8.150 nan 0.000 0.446 662 A N -0.081 122.782 122.820 0.071 0.000 2.015 662 A HA -0.097 4.229 4.320 0.009 0.000 0.219 662 A C 2.036 179.582 177.584 -0.063 0.000 1.163 662 A CA 1.474 53.543 52.037 0.054 0.000 0.646 662 A CB -0.351 18.742 19.000 0.154 0.000 0.806 662 A HN 0.524 nan 8.150 nan 0.000 0.448 663 K N -0.941 119.314 120.400 -0.243 0.000 2.044 663 K HA -0.184 4.141 4.320 0.009 0.000 0.210 663 K C 2.119 178.659 176.600 -0.100 0.000 1.049 663 K CA 1.834 57.864 56.287 -0.429 0.000 0.927 663 K CB -0.595 31.722 32.500 -0.306 0.000 0.713 663 K HN 0.500 nan 8.250 nan 0.000 0.443 664 T N 0.776 115.346 114.554 0.026 0.000 3.007 664 T HA -0.046 4.309 4.350 0.009 0.000 0.270 664 T C 1.671 176.414 174.700 0.072 0.000 1.107 664 T CA 0.508 62.670 62.100 0.103 0.000 1.118 664 T CB 0.042 68.954 68.868 0.073 0.000 0.889 664 T HN -0.012 nan 8.240 nan 0.000 0.506 665 I N 1.432 122.013 120.570 0.017 0.000 2.494 665 I HA 0.090 4.266 4.170 0.009 0.000 0.250 665 I C 2.282 178.429 176.117 0.049 0.000 1.112 665 I CA 0.706 62.006 61.300 0.000 0.000 1.438 665 I CB -1.199 36.767 38.000 -0.057 0.000 1.111 665 I HN 0.248 nan 8.210 nan 0.000 0.431 666 N N 0.894 119.620 118.700 0.042 0.000 2.135 666 N HA -0.112 4.634 4.740 0.009 0.000 0.186 666 N C 1.776 177.291 175.510 0.008 0.000 1.027 666 N CA 1.331 54.422 53.050 0.067 0.000 0.849 666 N CB -0.317 38.174 38.487 0.006 0.000 1.002 666 N HN 0.150 nan 8.380 nan 0.000 0.425 667 F N 0.813 120.898 119.950 0.226 0.000 2.259 667 F HA 0.147 4.682 4.527 0.012 0.000 0.298 667 F C 2.466 178.419 175.800 0.255 0.000 1.088 667 F CA 0.514 58.677 58.000 0.272 0.000 1.358 667 F CB -1.144 38.057 39.000 0.334 0.000 1.040 667 F HN 0.029 nan 8.300 nan 0.000 0.505 668 G N -0.068 108.918 108.800 0.309 0.000 2.433 668 G HA2 -0.176 3.790 3.960 0.009 0.000 0.216 668 G HA3 -0.176 3.790 3.960 0.009 0.000 0.216 668 G C 1.886 176.875 174.900 0.148 0.000 1.186 668 G CA 1.116 46.349 45.100 0.221 0.000 0.779 668 G HN 0.231 nan 8.290 nan 0.000 0.543 669 V N 0.862 120.781 119.914 0.008 0.000 2.407 669 V HA -0.085 4.040 4.120 0.009 0.000 0.248 669 V C 2.653 178.697 176.094 -0.084 0.000 1.055 669 V CA 1.386 63.615 62.300 -0.118 0.000 1.049 669 V CB -0.286 31.292 31.823 -0.408 0.000 0.662 669 V HN 0.376 nan 8.190 nan 0.000 0.455 670 L N -0.898 120.220 121.223 -0.176 0.000 2.027 670 L HA -0.161 4.184 4.340 0.009 0.000 0.206 670 L C 1.888 178.853 176.870 0.159 0.000 1.074 670 L CA 1.954 56.797 54.840 0.005 0.000 0.745 670 L CB -0.223 41.742 42.059 -0.157 0.000 0.898 670 L HN 0.355 nan 8.230 nan 0.000 0.433 671 Y N 0.196 120.738 120.300 0.403 0.000 2.496 671 Y HA 0.280 4.836 4.550 0.010 0.000 0.313 671 Y C 1.424 177.487 175.900 0.272 0.000 1.184 671 Y CA 0.311 58.614 58.100 0.339 0.000 1.275 671 Y CB -0.212 38.331 38.460 0.138 0.000 1.103 671 Y HN 0.362 nan 8.280 nan 0.000 0.513 672 G N -0.316 108.717 108.800 0.387 0.000 2.144 672 G HA2 -0.293 3.672 3.960 0.009 0.000 0.218 672 G HA3 -0.293 3.672 3.960 0.009 0.000 0.218 672 G C 0.378 175.386 174.900 0.179 0.000 0.988 672 G CA -0.132 45.130 45.100 0.271 0.000 0.659 672 G HN 0.334 nan 8.290 nan 0.000 0.522 673 M N 2.191 121.889 119.600 0.164 0.000 2.252 673 M HA 0.399 4.884 4.480 0.009 0.000 0.329 673 M C 1.236 177.591 176.300 0.092 0.000 1.101 673 M CA 0.832 56.199 55.300 0.111 0.000 1.117 673 M CB 0.444 33.097 32.600 0.088 0.000 1.563 673 M HN 0.750 nan 8.290 nan 0.000 0.445 674 S N 3.642 119.387 115.700 0.076 0.000 2.616 674 S HA 0.556 5.031 4.470 0.009 0.000 0.277 674 S C 0.868 175.475 174.600 0.011 0.000 1.234 674 S CA -0.421 57.822 58.200 0.071 0.000 1.028 674 S CB 1.564 64.838 63.200 0.123 0.000 0.988 674 S HN 0.836 nan 8.310 nan 0.000 0.522 675 A N 1.385 124.160 122.820 -0.076 0.000 1.917 675 A HA -0.197 4.128 4.320 0.009 0.000 0.219 675 A C 2.078 179.480 177.584 -0.303 0.000 1.182 675 A CA 2.471 54.312 52.037 -0.328 0.000 0.633 675 A CB -1.822 16.718 19.000 -0.766 0.000 0.819 675 A HN 1.141 nan 8.150 nan 0.000 0.448 676 H N 0.056 119.049 119.070 -0.127 0.000 2.265 676 H HA -0.183 4.379 4.556 0.009 0.000 0.295 676 H C 2.189 177.571 175.328 0.089 0.000 1.084 676 H CA 2.397 58.562 56.048 0.194 0.000 1.261 676 H CB -0.345 29.614 29.762 0.328 0.000 1.360 676 H HN 0.499 nan 8.280 nan 0.000 0.487 677 R N -0.028 120.363 120.500 -0.181 0.000 2.081 677 R HA -0.076 4.269 4.340 0.009 0.000 0.235 677 R C 2.620 178.839 176.300 -0.135 0.000 1.131 677 R CA 1.368 57.332 56.100 -0.228 0.000 0.960 677 R CB -0.461 29.788 30.300 -0.086 0.000 0.856 677 R HN 0.468 nan 8.270 nan 0.000 0.436 678 L N 0.825 121.997 121.223 -0.084 0.000 1.989 678 L HA -0.230 4.116 4.340 0.009 0.000 0.211 678 L C 2.583 179.409 176.870 -0.073 0.000 1.071 678 L CA 2.224 57.020 54.840 -0.072 0.000 0.749 678 L CB -0.503 41.524 42.059 -0.054 0.000 0.890 678 L HN 0.479 nan 8.230 nan 0.000 0.431 679 S N -1.280 114.385 115.700 -0.060 0.000 2.356 679 S HA -0.320 4.155 4.470 0.009 0.000 0.223 679 S C 1.847 176.436 174.600 -0.018 0.000 1.032 679 S CA 1.363 59.557 58.200 -0.010 0.000 1.005 679 S CB -0.615 62.624 63.200 0.064 0.000 0.867 679 S HN 0.533 nan 8.310 nan 0.000 0.449 680 Q N 0.630 120.398 119.800 -0.054 0.000 2.439 680 Q HA -0.074 4.271 4.340 0.009 0.000 0.211 680 Q C 1.903 177.861 176.000 -0.071 0.000 0.978 680 Q CA 1.184 56.943 55.803 -0.073 0.000 0.897 680 Q CB -0.004 28.608 28.738 -0.210 0.000 0.956 680 Q HN 0.814 nan 8.270 nan 0.000 0.483 681 E N -0.499 119.653 120.200 -0.079 0.000 2.094 681 E HA 0.019 4.374 4.350 0.009 0.000 0.193 681 E C 1.615 178.164 176.600 -0.086 0.000 0.950 681 E CA 0.147 56.504 56.400 -0.072 0.000 0.842 681 E CB 0.195 29.853 29.700 -0.071 0.000 0.816 681 E HN 0.280 nan 8.360 nan 0.000 0.465 682 L N 0.590 121.751 121.223 -0.104 0.000 2.552 682 L HA 0.187 4.532 4.340 0.009 0.000 0.227 682 L C 0.642 177.431 176.870 -0.134 0.000 1.146 682 L CA 0.314 55.063 54.840 -0.152 0.000 0.858 682 L CB -0.380 41.582 42.059 -0.161 0.000 0.969 682 L HN 0.231 nan 8.230 nan 0.000 0.451 683 A N 1.185 123.957 122.820 -0.080 0.000 2.578 683 A HA -0.191 4.135 4.320 0.009 0.000 0.298 683 A C 0.098 177.650 177.584 -0.053 0.000 1.472 683 A CA 1.006 53.011 52.037 -0.053 0.000 0.734 683 A CB -2.470 16.495 19.000 -0.058 0.000 1.091 683 A HN 0.565 nan 8.150 nan 0.000 0.426 684 I N -3.490 117.064 120.570 -0.028 0.000 3.145 684 I HA 0.855 5.030 4.170 0.009 0.000 0.313 684 I C -2.658 173.490 176.117 0.052 0.000 1.122 684 I CA -3.361 57.933 61.300 -0.010 0.000 0.987 684 I CB 1.251 39.237 38.000 -0.023 0.000 1.236 684 I HN -0.002 nan 8.210 nan 0.000 0.453 685 P HA 0.026 nan 4.420 nan 0.000 0.268 685 P C -0.013 177.392 177.300 0.175 0.000 1.205 685 P CA 0.080 63.252 63.100 0.121 0.000 0.771 685 P CB 0.242 32.005 31.700 0.104 0.000 0.858 686 Y N 2.873 123.220 120.300 0.079 0.000 2.241 686 Y HA -0.344 4.212 4.550 0.010 0.000 0.286 686 Y C 2.470 178.428 175.900 0.096 0.000 1.166 686 Y CA 2.797 60.956 58.100 0.097 0.000 1.203 686 Y CB -0.708 37.810 38.460 0.097 0.000 0.977 686 Y HN 0.479 nan 8.280 nan 0.000 0.529 687 E N 0.181 120.559 120.200 0.297 0.000 2.072 687 E HA -0.167 4.188 4.350 0.009 0.000 0.191 687 E C 1.981 178.661 176.600 0.133 0.000 0.985 687 E CA 1.756 58.280 56.400 0.207 0.000 0.801 687 E CB -1.364 28.438 29.700 0.170 0.000 0.750 687 E HN 0.736 nan 8.360 nan 0.000 0.452 688 E N 0.155 120.438 120.200 0.138 0.000 2.204 688 E HA 0.294 4.649 4.350 0.009 0.000 0.194 688 E C 2.373 179.088 176.600 0.192 0.000 0.989 688 E CA 1.483 57.985 56.400 0.171 0.000 0.824 688 E CB -0.680 29.123 29.700 0.171 0.000 0.756 688 E HN 0.838 nan 8.360 nan 0.000 0.477 689 A N -0.152 122.729 122.820 0.101 0.000 1.968 689 A HA -0.084 4.241 4.320 0.009 0.000 0.217 689 A C 2.286 179.886 177.584 0.026 0.000 1.169 689 A CA 1.590 53.662 52.037 0.058 0.000 0.638 689 A CB -0.162 18.797 19.000 -0.069 0.000 0.812 689 A HN 0.497 nan 8.150 nan 0.000 0.446 690 Q N -0.597 119.175 119.800 -0.047 0.000 2.079 690 Q HA -0.083 4.263 4.340 0.009 0.000 0.200 690 Q C 2.338 178.366 176.000 0.048 0.000 0.974 690 Q CA 1.468 57.253 55.803 -0.030 0.000 0.840 690 Q CB -0.334 28.402 28.738 -0.004 0.000 0.898 690 Q HN 0.665 nan 8.270 nan 0.000 0.430 691 A N 0.119 122.986 122.820 0.078 0.000 1.877 691 A HA -0.218 4.107 4.320 0.009 0.000 0.216 691 A C 1.857 179.458 177.584 0.028 0.000 1.186 691 A CA 1.366 53.443 52.037 0.066 0.000 0.620 691 A CB -0.967 18.091 19.000 0.097 0.000 0.822 691 A HN 0.569 nan 8.150 nan 0.000 0.443 692 F N 0.940 120.835 119.950 -0.091 0.000 2.126 692 F HA -0.186 4.344 4.527 0.005 0.000 0.299 692 F C 1.977 177.686 175.800 -0.151 0.000 1.096 692 F CA 1.733 59.582 58.000 -0.252 0.000 1.255 692 F CB -0.044 38.719 39.000 -0.395 0.000 0.997 692 F HN 0.178 nan 8.300 nan 0.000 0.479 693 I N 0.732 121.321 120.570 0.033 0.000 2.252 693 I HA -0.189 3.986 4.170 0.009 0.000 0.245 693 I C 2.784 178.952 176.117 0.085 0.000 1.102 693 I CA 1.543 62.865 61.300 0.037 0.000 1.385 693 I CB -1.878 36.202 38.000 0.132 0.000 1.064 693 I HN 0.356 nan 8.210 nan 0.000 0.414 694 E N 1.591 121.818 120.200 0.045 0.000 2.038 694 E HA -0.282 4.073 4.350 0.009 0.000 0.195 694 E C 2.575 179.169 176.600 -0.010 0.000 1.000 694 E CA 2.306 58.736 56.400 0.049 0.000 0.803 694 E CB -1.152 28.559 29.700 0.019 0.000 0.750 694 E HN 0.588 nan 8.360 nan 0.000 0.448 695 R N -0.666 119.756 120.500 -0.131 0.000 2.092 695 R HA -0.028 4.317 4.340 0.009 0.000 0.231 695 R C 2.279 178.366 176.300 -0.355 0.000 1.119 695 R CA 1.770 57.727 56.100 -0.238 0.000 0.970 695 R CB -1.586 28.540 30.300 -0.290 0.000 0.864 695 R HN 0.716 nan 8.270 nan 0.000 0.440 696 Y N 0.438 120.366 120.300 -0.620 0.000 2.081 696 Y HA -0.245 4.312 4.550 0.011 0.000 0.280 696 Y C 1.986 177.524 175.900 -0.603 0.000 1.163 696 Y CA 2.495 60.137 58.100 -0.765 0.000 1.135 696 Y CB -0.407 37.478 38.460 -0.958 0.000 0.970 696 Y HN 0.258 nan 8.280 nan 0.000 0.498 697 F N -0.577 119.422 119.950 0.082 0.000 2.367 697 F HA -0.022 4.513 4.527 0.013 0.000 0.298 697 F C 2.775 178.525 175.800 -0.083 0.000 1.094 697 F CA 1.344 59.387 58.000 0.073 0.000 1.409 697 F CB -1.253 37.804 39.000 0.096 0.000 1.064 697 F HN 0.195 nan 8.300 nan 0.000 0.528 698 Q N 0.365 120.153 119.800 -0.019 0.000 2.167 698 Q HA -0.089 4.256 4.340 0.009 0.000 0.202 698 Q C 2.369 178.228 176.000 -0.235 0.000 0.970 698 Q CA 1.747 57.495 55.803 -0.092 0.000 0.855 698 Q CB -1.608 27.066 28.738 -0.107 0.000 0.911 698 Q HN 0.533 nan 8.270 nan 0.000 0.438 699 S N -0.730 114.676 115.700 -0.491 0.000 2.447 699 S HA 0.298 4.774 4.470 0.009 0.000 0.233 699 S C 0.513 174.562 174.600 -0.918 0.000 1.006 699 S CA 0.867 58.565 58.200 -0.836 0.000 0.957 699 S CB 0.071 62.484 63.200 -1.312 0.000 0.773 699 S HN 0.497 nan 8.310 nan 0.000 0.507 700 F N 0.973 120.820 119.950 -0.171 0.000 2.622 700 F HA 0.341 4.871 4.527 0.005 0.000 0.338 700 F C -1.982 173.812 175.800 -0.009 0.000 1.334 700 F CA -2.874 55.054 58.000 -0.120 0.000 1.179 700 F CB 1.317 40.200 39.000 -0.195 0.000 1.471 700 F HN -0.107 nan 8.300 nan 0.000 0.576 701 P HA -0.240 nan 4.420 nan 0.000 0.216 701 P C 1.288 178.650 177.300 0.104 0.000 1.154 701 P CA 1.651 64.800 63.100 0.083 0.000 0.865 701 P CB 0.436 32.154 31.700 0.030 0.000 0.789 702 K N -0.532 119.934 120.400 0.109 0.000 2.365 702 K HA 0.020 4.345 4.320 0.009 0.000 0.199 702 K C 2.094 178.791 176.600 0.163 0.000 1.045 702 K CA 0.394 56.746 56.287 0.109 0.000 0.962 702 K CB -0.663 31.885 32.500 0.081 0.000 0.759 702 K HN 0.117 nan 8.250 nan 0.000 0.469 703 V N 1.706 121.737 119.914 0.195 0.000 2.261 703 V HA -0.301 3.825 4.120 0.009 0.000 0.246 703 V C 2.996 179.243 176.094 0.255 0.000 1.047 703 V CA 2.615 65.069 62.300 0.256 0.000 1.015 703 V CB -0.810 31.200 31.823 0.312 0.000 0.642 703 V HN 0.395 nan 8.190 nan 0.000 0.446 704 R N 0.021 120.619 120.500 0.163 0.000 2.120 704 R HA -0.049 4.296 4.340 0.009 0.000 0.234 704 R C 2.264 178.547 176.300 -0.027 0.000 1.123 704 R CA 2.056 58.147 56.100 -0.014 0.000 0.975 704 R CB -1.509 28.746 30.300 -0.075 0.000 0.866 704 R HN 0.655 nan 8.270 nan 0.000 0.446 705 A N -0.658 122.186 122.820 0.040 0.000 1.930 705 A HA -0.068 4.257 4.320 0.009 0.000 0.217 705 A C 2.209 179.806 177.584 0.022 0.000 1.175 705 A CA 1.398 53.444 52.037 0.016 0.000 0.627 705 A CB -0.708 18.318 19.000 0.044 0.000 0.815 705 A HN 0.875 nan 8.150 nan 0.000 0.443 706 W N 0.601 121.870 121.300 -0.052 0.000 2.379 706 W HA -0.116 4.550 4.660 0.011 0.000 0.307 706 W C 1.675 178.146 176.519 -0.081 0.000 1.200 706 W CA 1.757 59.074 57.345 -0.046 0.000 1.297 706 W CB -0.297 29.154 29.460 -0.016 0.000 1.140 706 W HN 0.266 nan 8.180 nan 0.000 0.507 707 I N 0.800 121.252 120.570 -0.195 0.000 2.264 707 I HA -0.332 3.843 4.170 0.009 0.000 0.248 707 I C 2.447 178.240 176.117 -0.540 0.000 1.111 707 I CA 1.894 62.830 61.300 -0.607 0.000 1.382 707 I CB -0.596 37.008 38.000 -0.660 0.000 1.060 707 I HN 0.102 nan 8.210 nan 0.000 0.418 708 E N 0.787 120.779 120.200 -0.346 0.000 2.051 708 E HA -0.276 4.080 4.350 0.009 0.000 0.192 708 E C 2.572 179.017 176.600 -0.258 0.000 0.991 708 E CA 1.848 58.096 56.400 -0.253 0.000 0.799 708 E CB -0.098 29.502 29.700 -0.167 0.000 0.748 708 E HN 0.514 nan 8.360 nan 0.000 0.449 709 K N 0.501 120.728 120.400 -0.288 0.000 2.097 709 K HA -0.103 4.222 4.320 0.009 0.000 0.205 709 K C 2.086 178.484 176.600 -0.336 0.000 1.050 709 K CA 1.759 57.890 56.287 -0.259 0.000 0.938 709 K CB -1.323 31.052 32.500 -0.208 0.000 0.718 709 K HN 0.072 nan 8.250 nan 0.000 0.442 710 T N 1.291 115.513 114.554 -0.553 0.000 2.720 710 T HA -0.088 4.268 4.350 0.009 0.000 0.268 710 T C 1.875 176.391 174.700 -0.307 0.000 1.037 710 T CA 1.289 63.072 62.100 -0.528 0.000 1.144 710 T CB -0.179 68.162 68.868 -0.879 0.000 0.864 710 T HN 0.196 nan 8.240 nan 0.000 0.444 711 L N 1.231 122.298 121.223 -0.260 0.000 2.027 711 L HA 0.038 4.384 4.340 0.009 0.000 0.206 711 L C 2.623 179.412 176.870 -0.136 0.000 1.074 711 L CA 1.515 56.270 54.840 -0.142 0.000 0.745 711 L CB -1.177 40.821 42.059 -0.102 0.000 0.898 711 L HN 0.205 nan 8.230 nan 0.000 0.433 712 E N 0.471 120.582 120.200 -0.149 0.000 2.033 712 E HA -0.286 4.069 4.350 0.009 0.000 0.199 712 E C 2.103 178.624 176.600 -0.130 0.000 1.011 712 E CA 2.125 58.453 56.400 -0.121 0.000 0.815 712 E CB 0.210 29.840 29.700 -0.117 0.000 0.755 712 E HN 0.550 nan 8.360 nan 0.000 0.451 713 E N 0.193 120.295 120.200 -0.164 0.000 2.118 713 E HA -0.136 4.219 4.350 0.009 0.000 0.195 713 E C 2.209 178.674 176.600 -0.226 0.000 0.992 713 E CA 1.597 57.885 56.400 -0.187 0.000 0.804 713 E CB -1.481 28.094 29.700 -0.208 0.000 0.741 713 E HN 0.515 nan 8.360 nan 0.000 0.458 714 G N -0.024 108.648 108.800 -0.214 0.000 2.422 714 G HA2 -0.238 3.728 3.960 0.009 0.000 0.218 714 G HA3 -0.238 3.728 3.960 0.009 0.000 0.218 714 G C 1.985 176.807 174.900 -0.130 0.000 1.146 714 G CA 0.978 45.956 45.100 -0.203 0.000 0.769 714 G HN 0.464 nan 8.290 nan 0.000 0.547 715 R N -0.058 120.383 120.500 -0.098 0.000 2.066 715 R HA 0.054 4.400 4.340 0.009 0.000 0.232 715 R C 3.201 179.470 176.300 -0.052 0.000 1.131 715 R CA 2.077 58.143 56.100 -0.057 0.000 0.955 715 R CB -0.394 29.875 30.300 -0.051 0.000 0.851 715 R HN 0.346 nan 8.270 nan 0.000 0.432 716 R N 0.650 121.106 120.500 -0.074 0.000 2.061 716 R HA -0.033 4.313 4.340 0.009 0.000 0.230 716 R C 2.227 178.493 176.300 -0.056 0.000 1.140 716 R CA 1.824 57.889 56.100 -0.059 0.000 0.940 716 R CB -1.038 29.221 30.300 -0.068 0.000 0.839 716 R HN 0.209 nan 8.270 nan 0.000 0.429 717 R N -1.679 118.743 120.500 -0.131 0.000 2.092 717 R HA 0.026 4.371 4.340 0.009 0.000 0.231 717 R C 1.625 177.919 176.300 -0.011 0.000 1.119 717 R CA 1.615 57.620 56.100 -0.158 0.000 0.970 717 R CB 0.063 30.047 30.300 -0.527 0.000 0.864 717 R HN 0.751 nan 8.270 nan 0.000 0.440 718 G N -1.885 106.895 108.800 -0.033 0.000 2.195 718 G HA2 -0.276 3.689 3.960 0.009 0.000 0.224 718 G HA3 -0.276 3.689 3.960 0.009 0.000 0.224 718 G C -0.220 174.777 174.900 0.161 0.000 0.990 718 G CA 0.264 45.450 45.100 0.143 0.000 0.639 718 G HN 0.446 nan 8.290 nan 0.000 0.514 719 Y N -1.392 118.816 120.300 -0.153 0.000 2.670 719 Y HA 0.760 5.315 4.550 0.009 0.000 0.334 719 Y C -0.213 175.554 175.900 -0.222 0.000 1.185 719 Y CA -1.220 56.677 58.100 -0.337 0.000 1.053 719 Y CB 0.919 38.821 38.460 -0.929 0.000 1.298 719 Y HN 0.850 nan 8.280 nan 0.000 0.459 720 V N -0.789 119.059 119.914 -0.110 0.000 3.103 720 V HA 0.909 5.034 4.120 0.009 0.000 0.318 720 V C -0.707 175.436 176.094 0.081 0.000 1.114 720 V CA -0.719 61.517 62.300 -0.105 0.000 1.020 720 V CB 1.679 33.476 31.823 -0.043 0.000 1.085 720 V HN 1.156 nan 8.190 nan 0.000 0.446 721 E N 0.238 120.481 120.200 0.071 0.000 2.433 721 E HA 0.581 4.936 4.350 0.009 0.000 0.278 721 E C -0.870 175.786 176.600 0.094 0.000 0.976 721 E CA -0.541 55.928 56.400 0.115 0.000 0.793 721 E CB 2.162 31.974 29.700 0.186 0.000 1.311 721 E HN 0.900 nan 8.360 nan 0.000 0.460 722 T N -0.865 113.727 114.554 0.063 0.000 2.849 722 T HA 0.206 4.561 4.350 0.009 0.000 0.276 722 T C 1.217 175.922 174.700 0.008 0.000 0.971 722 T CA -0.569 61.542 62.100 0.019 0.000 0.949 722 T CB 0.836 69.673 68.868 -0.051 0.000 1.093 722 T HN 0.490 nan 8.240 nan 0.000 0.545 723 L N -0.313 120.857 121.223 -0.088 0.000 2.081 723 L HA 0.052 4.398 4.340 0.009 0.000 0.212 723 L C 1.589 178.486 176.870 0.044 0.000 1.080 723 L CA 1.866 56.664 54.840 -0.070 0.000 0.754 723 L CB -1.074 40.839 42.059 -0.244 0.000 0.893 723 L HN 0.673 nan 8.230 nan 0.000 0.433 724 F N 0.430 120.285 119.950 -0.159 0.000 2.797 724 F HA 0.399 4.932 4.527 0.009 0.000 0.302 724 F C 1.923 177.659 175.800 -0.107 0.000 1.130 724 F CA -0.089 57.773 58.000 -0.229 0.000 1.387 724 F CB -0.975 37.897 39.000 -0.212 0.000 1.107 724 F HN 0.243 nan 8.300 nan 0.000 0.577 725 G N 1.077 109.950 108.800 0.121 0.000 2.132 725 G HA2 -0.315 3.650 3.960 0.009 0.000 0.228 725 G HA3 -0.315 3.650 3.960 0.009 0.000 0.228 725 G C 0.483 175.430 174.900 0.078 0.000 1.000 725 G CA -0.130 45.026 45.100 0.094 0.000 0.693 725 G HN 0.410 nan 8.290 nan 0.000 0.515 726 R N 0.271 120.815 120.500 0.073 0.000 2.491 726 R HA 0.538 4.883 4.340 0.009 0.000 0.283 726 R C 0.516 176.810 176.300 -0.010 0.000 1.072 726 R CA -0.257 55.859 56.100 0.027 0.000 1.048 726 R CB 0.334 30.648 30.300 0.024 0.000 0.983 726 R HN 0.398 nan 8.270 nan 0.000 0.450 727 R N 2.611 123.060 120.500 -0.084 0.000 2.668 727 R HA 0.413 4.758 4.340 0.009 0.000 0.279 727 R C -0.580 175.634 176.300 -0.144 0.000 0.976 727 R CA -0.893 55.121 56.100 -0.143 0.000 0.978 727 R CB 1.846 31.862 30.300 -0.473 0.000 1.133 727 R HN 0.533 nan 8.270 nan 0.000 0.484 728 R N 1.933 122.356 120.500 -0.127 0.000 2.538 728 R HA 0.260 4.606 4.340 0.009 0.000 0.292 728 R C -1.569 174.674 176.300 -0.095 0.000 1.008 728 R CA -0.596 55.472 56.100 -0.053 0.000 0.896 728 R CB 1.003 31.297 30.300 -0.011 0.000 1.187 728 R HN 0.555 nan 8.270 nan 0.000 0.440 729 Y N 3.142 123.480 120.300 0.063 0.000 2.327 729 Y HA 0.295 4.851 4.550 0.009 0.000 0.336 729 Y C 0.086 176.022 175.900 0.060 0.000 1.035 729 Y CA -0.365 57.791 58.100 0.094 0.000 1.165 729 Y CB 1.985 40.478 38.460 0.056 0.000 1.181 729 Y HN 0.272 nan 8.280 nan 0.000 0.494 730 V N 5.531 125.539 119.914 0.158 0.000 2.320 730 V HA 0.158 4.284 4.120 0.009 0.000 0.257 730 V C -1.875 174.271 176.094 0.088 0.000 0.996 730 V CA -1.313 61.043 62.300 0.093 0.000 0.928 730 V CB 0.611 32.457 31.823 0.039 0.000 1.169 730 V HN 0.676 nan 8.190 nan 0.000 0.475 731 P HA -0.136 nan 4.420 nan 0.000 0.218 731 P C 0.794 178.122 177.300 0.048 0.000 1.148 731 P CA 1.193 64.342 63.100 0.081 0.000 0.822 731 P CB 0.473 32.216 31.700 0.073 0.000 0.784 732 D N -0.583 119.842 120.400 0.041 0.000 2.392 732 D HA -0.022 4.623 4.640 0.009 0.000 0.228 732 D C 1.796 178.109 176.300 0.023 0.000 1.003 732 D CA 0.335 54.351 54.000 0.028 0.000 0.917 732 D CB -0.721 40.094 40.800 0.025 0.000 0.890 732 D HN 0.217 nan 8.370 nan 0.000 0.532 733 L N -0.071 121.166 121.223 0.023 0.000 2.456 733 L HA -0.070 4.276 4.340 0.009 0.000 0.224 733 L C 1.264 178.139 176.870 0.008 0.000 1.148 733 L CA 0.993 55.841 54.840 0.013 0.000 0.825 733 L CB 0.083 42.145 42.059 0.004 0.000 0.937 733 L HN -0.054 nan 8.230 nan 0.000 0.450 734 E N -0.654 119.552 120.200 0.011 0.000 2.734 734 E HA 0.233 4.589 4.350 0.009 0.000 0.211 734 E C 0.252 176.857 176.600 0.008 0.000 0.991 734 E CA -0.366 56.038 56.400 0.007 0.000 1.065 734 E CB 0.733 30.437 29.700 0.006 0.000 1.047 734 E HN 0.291 nan 8.360 nan 0.000 0.470 735 A N 0.759 123.586 122.820 0.011 0.000 2.445 735 A HA 0.155 4.481 4.320 0.009 0.000 0.242 735 A C 1.090 178.678 177.584 0.008 0.000 1.075 735 A CA -0.240 51.804 52.037 0.010 0.000 0.777 735 A CB 0.543 19.550 19.000 0.013 0.000 1.013 735 A HN 0.083 nan 8.150 nan 0.000 0.493 736 R N 0.845 121.349 120.500 0.006 0.000 2.119 736 R HA 0.018 4.363 4.340 0.009 0.000 0.222 736 R C 0.439 176.743 176.300 0.006 0.000 1.088 736 R CA 0.412 56.515 56.100 0.005 0.000 0.984 736 R CB -1.118 29.184 30.300 0.004 0.000 0.884 736 R HN 0.487 nan 8.270 nan 0.000 0.447 737 V N 2.948 122.866 119.914 0.008 0.000 2.479 737 V HA 0.009 4.135 4.120 0.009 0.000 0.281 737 V C 1.807 177.908 176.094 0.012 0.000 1.031 737 V CA 0.009 62.315 62.300 0.009 0.000 1.038 737 V CB 1.253 33.081 31.823 0.010 0.000 0.981 737 V HN 0.181 nan 8.190 nan 0.000 0.478 738 K N 2.713 123.120 120.400 0.012 0.000 2.097 738 K HA -0.139 4.187 4.320 0.009 0.000 0.206 738 K C 2.303 178.915 176.600 0.020 0.000 1.049 738 K CA 1.729 58.025 56.287 0.015 0.000 0.933 738 K CB 0.023 32.532 32.500 0.014 0.000 0.717 738 K HN 0.695 nan 8.250 nan 0.000 0.442 739 S N 0.294 116.005 115.700 0.019 0.000 2.365 739 S HA -0.149 4.327 4.470 0.009 0.000 0.221 739 S C 2.025 176.638 174.600 0.022 0.000 1.037 739 S CA 1.741 59.955 58.200 0.022 0.000 1.060 739 S CB -0.303 62.908 63.200 0.019 0.000 0.974 739 S HN 0.154 nan 8.310 nan 0.000 0.427 740 V N 2.366 122.291 119.914 0.018 0.000 2.255 740 V HA -0.200 3.925 4.120 0.009 0.000 0.247 740 V C 2.635 178.741 176.094 0.019 0.000 1.051 740 V CA 2.416 64.727 62.300 0.017 0.000 1.018 740 V CB -0.830 31.002 31.823 0.015 0.000 0.641 740 V HN 0.474 nan 8.190 nan 0.000 0.445 741 R N 0.031 120.542 120.500 0.019 0.000 2.083 741 R HA -0.213 4.132 4.340 0.009 0.000 0.237 741 R C 2.319 178.636 176.300 0.028 0.000 1.137 741 R CA 2.172 58.285 56.100 0.020 0.000 0.951 741 R CB -0.280 30.030 30.300 0.016 0.000 0.851 741 R HN 0.638 nan 8.270 nan 0.000 0.434 742 E N -0.340 119.880 120.200 0.033 0.000 2.150 742 E HA -0.163 4.192 4.350 0.009 0.000 0.193 742 E C 1.883 178.513 176.600 0.049 0.000 0.985 742 E CA 1.000 57.429 56.400 0.048 0.000 0.814 742 E CB -0.047 29.682 29.700 0.048 0.000 0.752 742 E HN 0.491 nan 8.360 nan 0.000 0.466 743 A N 1.519 124.358 122.820 0.033 0.000 1.929 743 A HA 0.006 4.331 4.320 0.009 0.000 0.216 743 A C 2.376 179.962 177.584 0.004 0.000 1.176 743 A CA 1.375 53.423 52.037 0.020 0.000 0.628 743 A CB -0.357 18.654 19.000 0.017 0.000 0.816 743 A HN 0.268 nan 8.150 nan 0.000 0.444 744 A N 0.043 122.870 122.820 0.012 0.000 1.873 744 A HA -0.147 4.178 4.320 0.009 0.000 0.215 744 A C 1.884 179.472 177.584 0.006 0.000 1.186 744 A CA 1.512 53.553 52.037 0.007 0.000 0.616 744 A CB -0.554 18.456 19.000 0.017 0.000 0.823 744 A HN 0.599 nan 8.150 nan 0.000 0.442 745 E N -0.399 119.823 120.200 0.037 0.000 2.130 745 E HA -0.228 4.127 4.350 0.009 0.000 0.196 745 E C 2.305 178.945 176.600 0.067 0.000 0.998 745 E CA 1.250 57.706 56.400 0.093 0.000 0.806 745 E CB -0.207 29.571 29.700 0.129 0.000 0.738 745 E HN 0.519 nan 8.360 nan 0.000 0.459 746 R N 0.102 120.581 120.500 -0.035 0.000 2.092 746 R HA -0.060 4.285 4.340 0.009 0.000 0.231 746 R C 2.400 178.446 176.300 -0.424 0.000 1.119 746 R CA 1.445 57.371 56.100 -0.290 0.000 0.970 746 R CB -0.189 30.049 30.300 -0.104 0.000 0.864 746 R HN 0.253 nan 8.270 nan 0.000 0.440 747 M N -0.283 119.192 119.600 -0.209 0.000 2.319 747 M HA 0.067 4.552 4.480 0.009 0.000 0.265 747 M C 2.382 178.590 176.300 -0.153 0.000 1.068 747 M CA 1.277 56.469 55.300 -0.181 0.000 1.118 747 M CB -0.228 32.316 32.600 -0.093 0.000 1.395 747 M HN 0.086 nan 8.290 nan 0.000 0.435 748 A N 1.814 124.571 122.820 -0.105 0.000 1.845 748 A HA -0.142 4.184 4.320 0.009 0.000 0.215 748 A C 1.895 179.497 177.584 0.031 0.000 1.195 748 A CA 1.646 53.670 52.037 -0.023 0.000 0.616 748 A CB -1.073 17.941 19.000 0.024 0.000 0.832 748 A HN 0.672 nan 8.150 nan 0.000 0.443 749 F N 0.446 120.416 119.950 0.035 0.000 2.811 749 F HA 0.133 4.665 4.527 0.008 0.000 0.301 749 F C 1.390 177.390 175.800 0.333 0.000 1.151 749 F CA 0.647 58.703 58.000 0.093 0.000 1.412 749 F CB -0.549 38.446 39.000 -0.009 0.000 1.113 749 F HN 0.318 nan 8.300 nan 0.000 0.579 750 N N 0.859 119.511 118.700 -0.081 0.000 2.336 750 N HA -0.141 4.605 4.740 0.009 0.000 0.177 750 N C 1.854 177.355 175.510 -0.014 0.000 1.018 750 N CA 0.968 53.959 53.050 -0.099 0.000 0.878 750 N CB -0.267 37.901 38.487 -0.531 0.000 0.997 750 N HN 0.388 nan 8.380 nan 0.000 0.433 751 M N 1.475 121.065 119.600 -0.015 0.000 2.089 751 M HA -0.101 4.384 4.480 0.009 0.000 0.257 751 M C -1.028 175.311 176.300 0.066 0.000 1.071 751 M CA 1.810 57.112 55.300 0.003 0.000 1.096 751 M CB -1.750 30.852 32.600 0.004 0.000 1.330 751 M HN 0.016 nan 8.290 nan 0.000 0.403 752 P HA -0.109 nan 4.420 nan 0.000 0.215 752 P C 1.782 179.160 177.300 0.130 0.000 1.153 752 P CA 1.420 64.646 63.100 0.211 0.000 0.853 752 P CB -0.202 31.775 31.700 0.462 0.000 0.788 753 V N -0.154 119.869 119.914 0.181 0.000 2.244 753 V HA -0.252 3.873 4.120 0.009 0.000 0.244 753 V C 2.725 178.810 176.094 -0.016 0.000 1.042 753 V CA 1.937 64.280 62.300 0.072 0.000 1.006 753 V CB -1.544 30.410 31.823 0.218 0.000 0.641 753 V HN 0.120 nan 8.190 nan 0.000 0.446 754 Q N 0.443 120.219 119.800 -0.040 0.000 2.084 754 Q HA -0.154 4.191 4.340 0.009 0.000 0.202 754 Q C 2.221 178.171 176.000 -0.083 0.000 0.978 754 Q CA 2.003 57.740 55.803 -0.110 0.000 0.844 754 Q CB -0.465 28.170 28.738 -0.171 0.000 0.898 754 Q HN 0.669 nan 8.270 nan 0.000 0.426 755 G N -0.839 107.928 108.800 -0.056 0.000 2.421 755 G HA2 -0.181 3.785 3.960 0.009 0.000 0.217 755 G HA3 -0.181 3.785 3.960 0.009 0.000 0.217 755 G C 1.305 176.143 174.900 -0.104 0.000 1.143 755 G CA 1.110 46.180 45.100 -0.050 0.000 0.784 755 G HN 0.335 nan 8.290 nan 0.000 0.541 756 T N 1.505 115.968 114.554 -0.151 0.000 2.857 756 T HA 0.093 4.448 4.350 0.009 0.000 0.266 756 T C 2.804 177.320 174.700 -0.306 0.000 1.048 756 T CA 1.228 63.151 62.100 -0.295 0.000 1.139 756 T CB -0.236 68.467 68.868 -0.276 0.000 0.874 756 T HN 0.340 nan 8.240 nan 0.000 0.455 757 A N 1.285 123.975 122.820 -0.217 0.000 1.972 757 A HA 0.188 4.513 4.320 0.009 0.000 0.219 757 A C 2.554 180.039 177.584 -0.164 0.000 1.169 757 A CA 1.722 53.626 52.037 -0.221 0.000 0.635 757 A CB -0.861 18.038 19.000 -0.168 0.000 0.810 757 A HN 0.499 nan 8.150 nan 0.000 0.446 758 A N -0.179 122.583 122.820 -0.096 0.000 1.898 758 A HA -0.083 4.243 4.320 0.009 0.000 0.214 758 A C 1.777 179.362 177.584 0.001 0.000 1.183 758 A CA 1.592 53.622 52.037 -0.012 0.000 0.622 758 A CB -0.468 18.552 19.000 0.034 0.000 0.824 758 A HN 0.410 nan 8.150 nan 0.000 0.444 759 D N -0.000 120.370 120.400 -0.050 0.000 2.104 759 D HA -0.144 4.501 4.640 0.009 0.000 0.194 759 D C 1.816 178.156 176.300 0.067 0.000 0.994 759 D CA 1.052 55.067 54.000 0.025 0.000 0.830 759 D CB -0.328 40.345 40.800 -0.213 0.000 0.959 759 D HN 0.228 nan 8.370 nan 0.000 0.452 760 L N 0.230 121.381 121.223 -0.120 0.000 1.989 760 L HA -0.158 4.187 4.340 0.009 0.000 0.211 760 L C 2.423 179.316 176.870 0.038 0.000 1.071 760 L CA 1.376 56.176 54.840 -0.066 0.000 0.749 760 L CB -0.970 40.926 42.059 -0.272 0.000 0.890 760 L HN 0.077 nan 8.230 nan 0.000 0.431 761 M N -0.743 118.860 119.600 0.006 0.000 2.159 761 M HA -0.207 4.279 4.480 0.009 0.000 0.263 761 M C 2.133 178.506 176.300 0.123 0.000 1.063 761 M CA 1.738 57.113 55.300 0.125 0.000 1.110 761 M CB -0.309 32.363 32.600 0.119 0.000 1.374 761 M HN 0.069 nan 8.290 nan 0.000 0.411 762 K N -0.458 120.004 120.400 0.104 0.000 2.097 762 K HA -0.115 4.210 4.320 0.009 0.000 0.206 762 K C 2.054 178.719 176.600 0.109 0.000 1.049 762 K CA 1.331 57.675 56.287 0.095 0.000 0.933 762 K CB -0.404 32.162 32.500 0.110 0.000 0.717 762 K HN 0.391 nan 8.250 nan 0.000 0.442 763 L N 0.543 121.867 121.223 0.167 0.000 2.017 763 L HA -0.185 4.161 4.340 0.009 0.000 0.208 763 L C 2.480 179.441 176.870 0.152 0.000 1.073 763 L CA 1.201 56.148 54.840 0.179 0.000 0.745 763 L CB -0.482 41.756 42.059 0.297 0.000 0.894 763 L HN 0.214 nan 8.230 nan 0.000 0.432 764 A N -0.433 122.492 122.820 0.174 0.000 1.940 764 A HA -0.263 4.062 4.320 0.009 0.000 0.219 764 A C 2.186 179.841 177.584 0.119 0.000 1.176 764 A CA 1.834 53.971 52.037 0.166 0.000 0.631 764 A CB -0.413 18.726 19.000 0.231 0.000 0.814 764 A HN 0.422 nan 8.150 nan 0.000 0.446 765 M N -0.956 118.704 119.600 0.099 0.000 2.132 765 M HA -0.105 4.380 4.480 0.009 0.000 0.263 765 M C 2.048 178.401 176.300 0.087 0.000 1.065 765 M CA 1.264 56.607 55.300 0.071 0.000 1.122 765 M CB -0.337 32.272 32.600 0.015 0.000 1.365 765 M HN 0.228 nan 8.290 nan 0.000 0.411 766 V N 0.520 120.471 119.914 0.062 0.000 2.407 766 V HA -0.254 3.872 4.120 0.009 0.000 0.248 766 V C 2.101 178.244 176.094 0.083 0.000 1.055 766 V CA 1.763 64.094 62.300 0.051 0.000 1.049 766 V CB -0.640 31.186 31.823 0.005 0.000 0.662 766 V HN 0.442 nan 8.190 nan 0.000 0.455 767 K N -0.492 119.959 120.400 0.084 0.000 2.116 767 K HA -0.028 4.297 4.320 0.009 0.000 0.203 767 K C 2.008 178.652 176.600 0.074 0.000 1.052 767 K CA 0.891 57.224 56.287 0.077 0.000 0.952 767 K CB -0.223 32.328 32.500 0.086 0.000 0.729 767 K HN 0.265 nan 8.250 nan 0.000 0.446 768 L N 0.488 121.763 121.223 0.087 0.000 2.109 768 L HA -0.014 4.331 4.340 0.009 0.000 0.207 768 L C 1.877 178.786 176.870 0.063 0.000 1.086 768 L CA 1.361 56.239 54.840 0.063 0.000 0.760 768 L CB -0.583 41.512 42.059 0.059 0.000 0.910 768 L HN 0.046 nan 8.230 nan 0.000 0.437 769 F N 2.097 122.032 119.950 -0.025 0.000 2.063 769 F HA -0.179 4.353 4.527 0.009 0.000 0.298 769 F C -0.488 175.282 175.800 -0.049 0.000 1.109 769 F CA 2.418 60.394 58.000 -0.040 0.000 1.212 769 F CB -1.751 37.227 39.000 -0.038 0.000 0.973 769 F HN 0.204 nan 8.300 nan 0.000 0.480 770 P HA -0.201 nan 4.420 nan 0.000 0.216 770 P C 1.220 178.398 177.300 -0.204 0.000 1.150 770 P CA 1.762 64.764 63.100 -0.164 0.000 0.837 770 P CB -0.329 31.360 31.700 -0.018 0.000 0.786 771 R N -0.339 120.077 120.500 -0.140 0.000 2.090 771 R HA 0.060 4.405 4.340 0.009 0.000 0.228 771 R C 2.617 178.821 176.300 -0.159 0.000 1.110 771 R CA 0.812 56.840 56.100 -0.120 0.000 0.973 771 R CB -1.347 28.912 30.300 -0.068 0.000 0.869 771 R HN 0.315 nan 8.270 nan 0.000 0.440 772 L N 0.977 122.075 121.223 -0.207 0.000 2.046 772 L HA -0.132 4.214 4.340 0.009 0.000 0.208 772 L C 2.501 179.214 176.870 -0.261 0.000 1.077 772 L CA 1.345 56.063 54.840 -0.203 0.000 0.747 772 L CB -0.473 41.468 42.059 -0.197 0.000 0.896 772 L HN 0.208 nan 8.230 nan 0.000 0.432 773 E N 0.283 120.219 120.200 -0.441 0.000 2.070 773 E HA -0.280 4.076 4.350 0.009 0.000 0.197 773 E C 2.292 178.757 176.600 -0.226 0.000 1.004 773 E CA 1.759 57.911 56.400 -0.413 0.000 0.805 773 E CB -0.040 29.319 29.700 -0.569 0.000 0.744 773 E HN 0.625 nan 8.360 nan 0.000 0.451 774 E N 0.348 120.432 120.200 -0.193 0.000 2.338 774 E HA -0.106 4.249 4.350 0.009 0.000 0.197 774 E C 1.566 178.102 176.600 -0.106 0.000 1.007 774 E CA 1.190 57.515 56.400 -0.126 0.000 0.849 774 E CB -0.453 29.183 29.700 -0.105 0.000 0.774 774 E HN 0.211 nan 8.360 nan 0.000 0.506 775 M N -1.130 118.400 119.600 -0.117 0.000 2.383 775 M HA 0.325 4.810 4.480 0.009 0.000 0.247 775 M C 1.647 177.886 176.300 -0.101 0.000 1.117 775 M CA 0.599 55.838 55.300 -0.101 0.000 0.995 775 M CB 1.002 33.544 32.600 -0.097 0.000 1.480 775 M HN 0.480 nan 8.290 nan 0.000 0.485 776 G N 1.117 109.865 108.800 -0.087 0.000 2.168 776 G HA2 -0.260 3.705 3.960 0.009 0.000 0.263 776 G HA3 -0.260 3.705 3.960 0.009 0.000 0.263 776 G C 0.162 175.078 174.900 0.026 0.000 0.977 776 G CA 0.326 45.401 45.100 -0.041 0.000 0.659 776 G HN 0.650 nan 8.290 nan 0.000 0.533 777 A N -0.662 122.158 122.820 0.001 0.000 2.252 777 A HA 0.942 5.268 4.320 0.009 0.000 0.305 777 A C 0.542 178.192 177.584 0.110 0.000 1.097 777 A CA -0.201 51.899 52.037 0.104 0.000 0.849 777 A CB 0.762 19.771 19.000 0.015 0.000 1.142 777 A HN 0.608 nan 8.150 nan 0.000 0.499 778 R N -0.304 120.298 120.500 0.169 0.000 2.854 778 R HA 0.609 4.954 4.340 0.009 0.000 0.271 778 R C -0.966 175.377 176.300 0.071 0.000 0.994 778 R CA -0.588 55.566 56.100 0.090 0.000 0.945 778 R CB 1.927 32.263 30.300 0.058 0.000 1.194 778 R HN 0.721 nan 8.270 nan 0.000 0.476 779 M N 3.249 122.914 119.600 0.108 0.000 2.101 779 M HA 0.272 4.757 4.480 0.009 0.000 0.340 779 M C -0.365 175.951 176.300 0.028 0.000 1.057 779 M CA -0.301 55.045 55.300 0.076 0.000 0.984 779 M CB 0.964 33.662 32.600 0.163 0.000 1.560 779 M HN 0.658 nan 8.290 nan 0.000 0.435 780 L N 4.579 125.781 121.223 -0.036 0.000 2.356 780 L HA 0.342 4.688 4.340 0.009 0.000 0.193 780 L C -0.112 176.736 176.870 -0.036 0.000 1.087 780 L CA 0.377 55.197 54.840 -0.034 0.000 0.817 780 L CB 0.035 42.050 42.059 -0.074 0.000 1.035 780 L HN 0.548 nan 8.230 nan 0.000 0.482 781 L N -0.743 120.407 121.223 -0.121 0.000 2.350 781 L HA 0.515 4.861 4.340 0.009 0.000 0.260 781 L C -0.767 175.992 176.870 -0.185 0.000 1.015 781 L CA -0.464 54.326 54.840 -0.083 0.000 0.821 781 L CB 2.043 44.068 42.059 -0.057 0.000 1.370 781 L HN -0.029 nan 8.230 nan 0.000 0.416 782 Q N 1.205 120.894 119.800 -0.186 0.000 2.321 782 Q HA 0.475 4.821 4.340 0.009 0.000 0.270 782 Q C -1.670 174.314 176.000 -0.025 0.000 1.032 782 Q CA -0.414 55.304 55.803 -0.142 0.000 0.784 782 Q CB 2.641 31.222 28.738 -0.263 0.000 1.264 782 Q HN 0.540 nan 8.270 nan 0.000 0.448 783 V N 5.435 125.345 119.914 -0.007 0.000 2.592 783 V HA 0.199 4.324 4.120 0.009 0.000 0.278 783 V C 0.014 176.062 176.094 -0.076 0.000 1.087 783 V CA -0.158 62.097 62.300 -0.075 0.000 1.282 783 V CB -0.679 31.244 31.823 0.166 0.000 1.543 783 V HN 1.083 nan 8.190 nan 0.000 0.606 784 H N 0.804 119.951 119.070 0.129 0.000 4.919 784 H HA -0.243 4.318 4.556 0.009 0.000 0.068 784 H C 1.257 176.644 175.328 0.098 0.000 0.578 784 H CA 1.954 58.058 56.048 0.094 0.000 1.013 784 H CB -0.631 29.173 29.762 0.071 0.000 0.454 784 H HN 0.731 nan 8.280 nan 0.000 0.774 785 D N 0.612 121.158 120.400 0.242 0.000 2.636 785 D HA 0.144 4.789 4.640 0.009 0.000 0.270 785 D C -0.038 176.439 176.300 0.295 0.000 1.430 785 D CA 0.246 54.411 54.000 0.274 0.000 0.796 785 D CB 0.455 41.396 40.800 0.236 0.000 1.117 785 D HN 0.656 nan 8.370 nan 0.000 0.480 786 E N 0.584 120.903 120.200 0.197 0.000 2.317 786 E HA 0.543 4.899 4.350 0.009 0.000 0.270 786 E C -1.525 175.123 176.600 0.080 0.000 0.885 786 E CA -0.824 55.663 56.400 0.145 0.000 0.760 786 E CB 2.168 31.979 29.700 0.184 0.000 1.227 786 E HN 0.035 nan 8.360 nan 0.000 0.434 787 L N 3.212 124.451 121.223 0.028 0.000 2.386 787 L HA 0.511 4.856 4.340 0.009 0.000 0.271 787 L C -1.082 175.744 176.870 -0.073 0.000 0.993 787 L CA -1.145 53.676 54.840 -0.031 0.000 0.819 787 L CB 2.205 44.245 42.059 -0.031 0.000 1.294 787 L HN 0.417 nan 8.230 nan 0.000 0.414 788 V N 4.989 124.808 119.914 -0.157 0.000 2.350 788 V HA 0.461 4.586 4.120 0.009 0.000 0.285 788 V C 0.052 176.040 176.094 -0.178 0.000 1.014 788 V CA -0.340 61.803 62.300 -0.261 0.000 0.831 788 V CB 1.582 33.043 31.823 -0.604 0.000 1.000 788 V HN 0.519 nan 8.190 nan 0.000 0.433 789 L N 3.279 124.438 121.223 -0.107 0.000 2.298 789 L HA 0.751 5.096 4.340 0.009 0.000 0.268 789 L C -0.099 176.767 176.870 -0.006 0.000 1.010 789 L CA -0.729 54.086 54.840 -0.041 0.000 0.812 789 L CB 1.647 43.701 42.059 -0.008 0.000 1.331 789 L HN 0.489 nan 8.230 nan 0.000 0.450 790 E N 0.360 120.602 120.200 0.070 0.000 2.241 790 E HA 0.690 5.045 4.350 0.009 0.000 0.263 790 E C -1.687 175.156 176.600 0.406 0.000 0.882 790 E CA -0.523 55.988 56.400 0.186 0.000 0.769 790 E CB 2.197 31.943 29.700 0.076 0.000 1.185 790 E HN 0.697 nan 8.360 nan 0.000 0.415 791 A N 4.632 127.669 122.820 0.362 0.000 2.435 791 A HA 0.712 5.037 4.320 0.009 0.000 0.304 791 A C -2.740 174.708 177.584 -0.227 0.000 1.064 791 A CA -1.788 50.320 52.037 0.118 0.000 0.727 791 A CB 1.411 20.406 19.000 -0.008 0.000 1.284 791 A HN 0.376 nan 8.150 nan 0.000 0.415 792 P HA 0.218 nan 4.420 nan 0.000 0.264 792 P C 1.194 178.237 177.300 -0.428 0.000 1.183 792 P CA 0.833 63.336 63.100 -0.996 0.000 0.763 792 P CB 0.567 31.744 31.700 -0.871 0.000 0.807 793 K N 2.843 123.053 120.400 -0.316 0.000 2.059 793 K HA -0.261 4.065 4.320 0.009 0.000 0.212 793 K C 2.045 178.560 176.600 -0.142 0.000 1.050 793 K CA 2.678 58.874 56.287 -0.152 0.000 0.927 793 K CB -2.088 30.353 32.500 -0.099 0.000 0.714 793 K HN 0.625 nan 8.250 nan 0.000 0.447 794 E N 0.596 120.694 120.200 -0.170 0.000 2.472 794 E HA -0.066 4.290 4.350 0.009 0.000 0.200 794 E C 2.012 178.534 176.600 -0.130 0.000 1.046 794 E CA 1.199 57.520 56.400 -0.132 0.000 0.871 794 E CB -0.320 29.301 29.700 -0.130 0.000 0.806 794 E HN 0.734 nan 8.360 nan 0.000 0.533 795 R N -2.160 118.244 120.500 -0.159 0.000 2.531 795 R HA 0.430 4.775 4.340 0.009 0.000 0.316 795 R C 2.438 178.674 176.300 -0.107 0.000 0.955 795 R CA 0.602 56.622 56.100 -0.135 0.000 1.120 795 R CB 0.542 30.742 30.300 -0.167 0.000 1.361 795 R HN 0.303 nan 8.270 nan 0.000 0.534 796 A N 1.760 124.520 122.820 -0.101 0.000 1.927 796 A HA -0.256 4.069 4.320 0.009 0.000 0.220 796 A C 1.799 179.357 177.584 -0.043 0.000 1.185 796 A CA 1.642 53.643 52.037 -0.060 0.000 0.639 796 A CB -0.237 18.739 19.000 -0.040 0.000 0.820 796 A HN 0.275 nan 8.150 nan 0.000 0.451 797 E N -0.740 119.435 120.200 -0.043 0.000 2.072 797 E HA -0.082 4.273 4.350 0.009 0.000 0.191 797 E C 2.392 178.971 176.600 -0.035 0.000 0.985 797 E CA 0.938 57.319 56.400 -0.033 0.000 0.801 797 E CB -0.307 29.375 29.700 -0.030 0.000 0.750 797 E HN 0.623 nan 8.360 nan 0.000 0.452 798 A N 1.074 123.867 122.820 -0.044 0.000 1.972 798 A HA -0.115 4.210 4.320 0.009 0.000 0.219 798 A C 2.470 180.027 177.584 -0.044 0.000 1.169 798 A CA 1.018 53.029 52.037 -0.044 0.000 0.635 798 A CB -0.426 18.543 19.000 -0.052 0.000 0.810 798 A HN 0.092 nan 8.150 nan 0.000 0.446 799 V N -0.445 119.440 119.914 -0.048 0.000 2.379 799 V HA -0.153 3.972 4.120 0.009 0.000 0.245 799 V C 3.024 179.098 176.094 -0.034 0.000 1.044 799 V CA 1.685 63.959 62.300 -0.044 0.000 1.036 799 V CB -1.103 30.694 31.823 -0.044 0.000 0.664 799 V HN 0.586 nan 8.190 nan 0.000 0.453 800 A N 0.151 122.953 122.820 -0.030 0.000 1.902 800 A HA -0.260 4.066 4.320 0.009 0.000 0.217 800 A C 2.341 179.908 177.584 -0.028 0.000 1.181 800 A CA 2.141 54.162 52.037 -0.026 0.000 0.623 800 A CB -0.538 18.451 19.000 -0.018 0.000 0.818 800 A HN 0.467 nan 8.150 nan 0.000 0.443 801 R N -0.812 119.672 120.500 -0.027 0.000 2.083 801 R HA -0.128 4.218 4.340 0.009 0.000 0.237 801 R C 2.071 178.356 176.300 -0.025 0.000 1.137 801 R CA 1.763 57.848 56.100 -0.024 0.000 0.951 801 R CB -0.457 29.829 30.300 -0.023 0.000 0.851 801 R HN 0.502 nan 8.270 nan 0.000 0.434 802 L N -0.034 121.172 121.223 -0.028 0.000 2.027 802 L HA 0.029 4.375 4.340 0.009 0.000 0.206 802 L C 2.193 179.047 176.870 -0.025 0.000 1.074 802 L CA 2.113 56.937 54.840 -0.026 0.000 0.745 802 L CB -0.628 41.411 42.059 -0.032 0.000 0.898 802 L HN 0.220 nan 8.230 nan 0.000 0.433 803 A N -0.147 122.655 122.820 -0.031 0.000 1.883 803 A HA -0.285 4.041 4.320 0.009 0.000 0.217 803 A C 2.457 180.010 177.584 -0.051 0.000 1.186 803 A CA 2.108 54.124 52.037 -0.034 0.000 0.624 803 A CB -0.790 18.188 19.000 -0.037 0.000 0.822 803 A HN 0.544 nan 8.150 nan 0.000 0.444 804 K N -0.666 119.699 120.400 -0.057 0.000 2.074 804 K HA -0.241 4.085 4.320 0.009 0.000 0.209 804 K C 1.825 178.390 176.600 -0.058 0.000 1.048 804 K CA 1.818 58.059 56.287 -0.076 0.000 0.926 804 K CB -0.145 32.324 32.500 -0.053 0.000 0.713 804 K HN 0.388 nan 8.250 nan 0.000 0.444 805 E N 0.454 120.637 120.200 -0.029 0.000 2.047 805 E HA -0.123 4.232 4.350 0.009 0.000 0.191 805 E C 2.201 178.806 176.600 0.008 0.000 0.987 805 E CA 1.018 57.413 56.400 -0.008 0.000 0.799 805 E CB -0.432 29.265 29.700 -0.005 0.000 0.752 805 E HN 0.157 nan 8.360 nan 0.000 0.449 806 V N 1.592 121.511 119.914 0.008 0.000 2.287 806 V HA -0.308 3.817 4.120 0.009 0.000 0.248 806 V C 2.502 178.634 176.094 0.064 0.000 1.053 806 V CA 2.008 64.329 62.300 0.035 0.000 1.027 806 V CB -0.541 31.300 31.823 0.030 0.000 0.646 806 V HN 0.260 nan 8.190 nan 0.000 0.447 807 M N -0.678 118.936 119.600 0.023 0.000 2.080 807 M HA -0.218 4.268 4.480 0.009 0.000 0.260 807 M C 2.238 178.620 176.300 0.138 0.000 1.068 807 M CA 1.980 57.297 55.300 0.029 0.000 1.109 807 M CB -0.615 31.815 32.600 -0.284 0.000 1.342 807 M HN 0.373 nan 8.290 nan 0.000 0.405 808 E N -0.357 119.868 120.200 0.042 0.000 2.153 808 E HA -0.114 4.242 4.350 0.009 0.000 0.194 808 E C 1.716 178.392 176.600 0.128 0.000 0.988 808 E CA 1.066 57.531 56.400 0.107 0.000 0.811 808 E CB -0.187 29.534 29.700 0.034 0.000 0.746 808 E HN 0.602 nan 8.360 nan 0.000 0.466 809 G N 0.719 109.581 108.800 0.103 0.000 3.393 809 G HA2 0.034 3.999 3.960 0.009 0.000 0.255 809 G HA3 0.034 3.999 3.960 0.009 0.000 0.255 809 G C 1.232 176.204 174.900 0.120 0.000 1.097 809 G CA -0.126 45.027 45.100 0.088 0.000 0.780 809 G HN 0.137 nan 8.290 nan 0.000 0.540 810 V N 0.007 120.028 119.914 0.179 0.000 2.233 810 V HA -0.124 4.001 4.120 0.009 0.000 0.252 810 V C 0.638 176.910 176.094 0.295 0.000 1.063 810 V CA 1.745 64.183 62.300 0.230 0.000 1.032 810 V CB -0.185 31.803 31.823 0.276 0.000 0.645 810 V HN 0.398 nan 8.190 nan 0.000 0.446 811 Y N 0.783 121.151 120.300 0.114 0.000 2.379 811 Y HA 0.514 5.069 4.550 0.008 0.000 0.342 811 Y C -2.606 173.309 175.900 0.025 0.000 1.126 811 Y CA -2.554 55.611 58.100 0.108 0.000 1.310 811 Y CB 1.028 39.624 38.460 0.227 0.000 1.115 811 Y HN 0.231 nan 8.280 nan 0.000 0.505 812 P HA 0.035 nan 4.420 nan 0.000 0.261 812 P C -0.640 176.586 177.300 -0.123 0.000 1.173 812 P CA 1.000 64.038 63.100 -0.103 0.000 0.760 812 P CB 0.602 32.234 31.700 -0.114 0.000 0.783 813 L N 1.810 122.986 121.223 -0.078 0.000 2.211 813 L HA 0.621 4.966 4.340 0.009 0.000 0.259 813 L C 1.519 178.469 176.870 0.134 0.000 1.031 813 L CA -1.127 53.654 54.840 -0.097 0.000 0.877 813 L CB 0.562 42.427 42.059 -0.325 0.000 1.457 813 L HN 0.157 nan 8.230 nan 0.000 0.466 814 A N -0.110 122.960 122.820 0.416 0.000 2.239 814 A HA 0.280 4.606 4.320 0.009 0.000 0.209 814 A C 0.352 177.998 177.584 0.104 0.000 1.171 814 A CA 0.616 52.771 52.037 0.198 0.000 0.768 814 A CB -0.301 18.773 19.000 0.124 0.000 0.790 814 A HN 0.271 nan 8.150 nan 0.000 0.478 815 V N 0.751 120.704 119.914 0.065 0.000 2.925 815 V HA 0.371 4.497 4.120 0.009 0.000 0.311 815 V C -2.571 173.504 176.094 -0.032 0.000 1.104 815 V CA -1.812 60.493 62.300 0.009 0.000 0.954 815 V CB 2.492 34.265 31.823 -0.084 0.000 1.022 815 V HN 0.181 nan 8.190 nan 0.000 0.427 816 P HA 0.335 nan 4.420 nan 0.000 0.274 816 P C -1.208 176.071 177.300 -0.036 0.000 1.231 816 P CA -0.232 62.867 63.100 -0.002 0.000 0.790 816 P CB 0.889 32.608 31.700 0.031 0.000 0.951 817 L N 2.001 123.235 121.223 0.018 0.000 2.277 817 L HA 0.338 4.683 4.340 0.009 0.000 0.284 817 L C 0.828 177.773 176.870 0.126 0.000 1.028 817 L CA -0.383 54.503 54.840 0.077 0.000 0.835 817 L CB 0.754 42.916 42.059 0.171 0.000 1.215 817 L HN 0.267 nan 8.230 nan 0.000 0.425 818 E N 2.824 123.085 120.200 0.103 0.000 2.277 818 E HA 0.505 4.860 4.350 0.009 0.000 0.274 818 E C -0.978 175.662 176.600 0.066 0.000 1.022 818 E CA -0.618 55.828 56.400 0.077 0.000 0.853 818 E CB 2.979 32.724 29.700 0.075 0.000 1.086 818 E HN 0.201 nan 8.360 nan 0.000 0.397 819 V N 1.550 121.455 119.914 -0.015 0.000 2.531 819 V HA 0.340 4.465 4.120 0.009 0.000 0.301 819 V C 0.027 176.098 176.094 -0.037 0.000 1.034 819 V CA -0.685 61.557 62.300 -0.096 0.000 0.865 819 V CB 1.436 33.108 31.823 -0.252 0.000 0.995 819 V HN 0.809 nan 8.190 nan 0.000 0.424 820 E N 3.605 123.802 120.200 -0.005 0.000 2.200 820 E HA 0.667 5.023 4.350 0.009 0.000 0.283 820 E C -0.702 175.902 176.600 0.006 0.000 1.015 820 E CA -0.387 56.024 56.400 0.018 0.000 0.819 820 E CB 1.730 31.460 29.700 0.050 0.000 1.081 820 E HN 0.622 nan 8.360 nan 0.000 0.397 821 V N 0.694 120.611 119.914 0.005 0.000 2.667 821 V HA 0.957 5.083 4.120 0.009 0.000 0.308 821 V C 0.721 176.828 176.094 0.023 0.000 1.048 821 V CA -0.279 62.024 62.300 0.004 0.000 0.928 821 V CB 2.038 33.854 31.823 -0.011 0.000 1.004 821 V HN 1.033 nan 8.190 nan 0.000 0.444 822 G N 2.394 111.214 108.800 0.032 0.000 2.667 822 G HA2 0.787 4.753 3.960 0.009 0.000 0.298 822 G HA3 0.787 4.753 3.960 0.009 0.000 0.298 822 G C -1.539 173.385 174.900 0.041 0.000 1.377 822 G CA -0.547 44.580 45.100 0.044 0.000 0.964 822 G HN 0.584 nan 8.290 nan 0.000 0.493 823 I N 0.772 121.364 120.570 0.038 0.000 2.582 823 I HA 0.784 4.959 4.170 0.009 0.000 0.292 823 I C 0.335 176.478 176.117 0.043 0.000 1.066 823 I CA -0.699 60.621 61.300 0.035 0.000 1.053 823 I CB 2.427 40.438 38.000 0.019 0.000 1.241 823 I HN 0.842 nan 8.210 nan 0.000 0.421 824 G N 3.642 112.473 108.800 0.051 0.000 2.506 824 G HA2 0.221 4.186 3.960 0.009 0.000 0.292 824 G HA3 0.221 4.186 3.960 0.009 0.000 0.292 824 G C -0.278 174.658 174.900 0.060 0.000 1.425 824 G CA -0.410 44.722 45.100 0.054 0.000 0.788 824 G HN 0.552 nan 8.290 nan 0.000 0.490 825 E N -0.682 119.549 120.200 0.052 0.000 2.427 825 E HA 0.035 4.391 4.350 0.009 0.000 0.196 825 E C 0.171 176.807 176.600 0.059 0.000 1.028 825 E CA 1.319 57.749 56.400 0.051 0.000 0.864 825 E CB 0.241 29.960 29.700 0.032 0.000 0.813 825 E HN 0.642 nan 8.360 nan 0.000 0.514 826 D N -3.048 117.401 120.400 0.083 0.000 2.570 826 D HA 0.012 4.657 4.640 0.009 0.000 0.244 826 D C 0.389 176.824 176.300 0.225 0.000 1.178 826 D CA -0.860 53.220 54.000 0.134 0.000 0.881 826 D CB 0.257 41.111 40.800 0.089 0.000 1.453 826 D HN -0.257 nan 8.370 nan 0.000 0.447 827 W N 1.246 122.594 121.300 0.081 0.000 2.318 827 W HA -0.144 4.521 4.660 0.008 0.000 0.313 827 W C 1.645 178.178 176.519 0.023 0.000 1.221 827 W CA 1.094 58.469 57.345 0.050 0.000 1.266 827 W CB -0.727 28.754 29.460 0.035 0.000 1.150 827 W HN 0.570 nan 8.180 nan 0.000 0.496 828 L N 0.888 122.241 121.223 0.217 0.000 2.012 828 L HA -0.238 4.108 4.340 0.009 0.000 0.210 828 L C 2.564 179.488 176.870 0.090 0.000 1.073 828 L CA 2.768 57.648 54.840 0.066 0.000 0.748 828 L CB -1.192 40.885 42.059 0.029 0.000 0.891 828 L HN -0.211 nan 8.230 nan 0.000 0.431 829 S N -0.350 115.411 115.700 0.102 0.000 2.402 829 S HA -0.117 4.358 4.470 0.009 0.000 0.229 829 S C 2.087 176.743 174.600 0.094 0.000 1.021 829 S CA 0.904 59.151 58.200 0.079 0.000 0.974 829 S CB -0.586 62.652 63.200 0.063 0.000 0.800 829 S HN 0.670 nan 8.310 nan 0.000 0.484 830 A N 2.454 125.357 122.820 0.139 0.000 1.859 830 A HA -0.129 4.196 4.320 0.009 0.000 0.217 830 A C 1.384 179.044 177.584 0.127 0.000 1.198 830 A CA 1.172 53.290 52.037 0.134 0.000 0.629 830 A CB -0.412 18.693 19.000 0.175 0.000 0.830 830 A HN 0.311 nan 8.150 nan 0.000 0.446 831 K N 0.000 120.496 120.400 0.161 0.000 2.780 831 K HA 0.000 4.325 4.320 0.009 0.000 0.191 831 K CA 0.000 56.355 56.287 0.113 0.000 0.838 831 K CB 0.000 32.555 32.500 0.091 0.000 1.064 831 K HN 0.000 nan 8.250 nan 0.000 0.543