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 1qss_1_A DATA FIRST_RESID 293 DATA SEQUENCE ALEEAPWPPP EGAFVGFVLS RKEPMWADLL ALAAARGGRV HRAPEPYKAL DATA SEQUENCE RDLKEERGLL 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 0.000 177.594 177.584 0.016 0.000 1.274 293 A CA 0.000 52.045 52.037 0.013 0.000 0.836 293 A CB 0.000 19.009 19.000 0.015 0.000 0.831 294 L N 1.856 123.088 121.223 0.014 0.000 2.280 294 L HA 0.760 5.105 4.340 0.008 0.000 0.287 294 L C 0.151 177.025 176.870 0.007 0.000 1.023 294 L CA 0.682 55.532 54.840 0.017 0.000 0.819 294 L CB 1.034 43.106 42.059 0.021 0.000 1.212 294 L HN 0.415 nan 8.230 nan 0.000 0.420 295 E N 3.337 123.537 120.200 0.001 0.000 2.227 295 E HA 0.543 4.898 4.350 0.008 0.000 0.268 295 E C -0.873 175.703 176.600 -0.041 0.000 0.990 295 E CA -0.682 55.707 56.400 -0.017 0.000 0.856 295 E CB 0.873 30.561 29.700 -0.021 0.000 1.159 295 E HN 0.712 nan 8.360 nan 0.000 0.401 296 E N 0.117 120.285 120.200 -0.052 0.000 2.063 296 E HA 0.526 4.881 4.350 0.008 0.000 0.265 296 E C -0.581 175.944 176.600 -0.124 0.000 0.919 296 E CA -0.494 55.862 56.400 -0.074 0.000 0.756 296 E CB 1.518 31.198 29.700 -0.033 0.000 1.120 296 E HN 0.685 nan 8.360 nan 0.000 0.414 297 A N 4.336 126.992 122.820 -0.274 0.000 2.269 297 A HA 0.610 4.935 4.320 0.008 0.000 0.319 297 A C -2.376 175.077 177.584 -0.217 0.000 1.110 297 A CA -1.718 50.120 52.037 -0.332 0.000 0.847 297 A CB 0.382 19.017 19.000 -0.608 0.000 1.161 297 A HN 0.326 nan 8.150 nan 0.000 0.497 298 P HA -0.045 nan 4.420 nan 0.000 0.268 298 P C 0.967 178.420 177.300 0.254 0.000 1.205 298 P CA -0.292 62.866 63.100 0.096 0.000 0.771 298 P CB 0.369 32.113 31.700 0.072 0.000 0.858 299 W N 4.889 126.250 121.300 0.102 0.000 2.289 299 W HA -0.221 4.443 4.660 0.007 0.000 0.351 299 W C -1.548 175.065 176.519 0.157 0.000 1.450 299 W CA 0.682 58.105 57.345 0.131 0.000 1.372 299 W CB -2.084 27.414 29.460 0.064 0.000 1.074 299 W HN 0.344 nan 8.180 nan 0.000 0.470 300 P HA -0.054 nan 4.420 nan 0.000 0.247 300 P C -2.209 174.730 177.300 -0.602 0.000 1.141 300 P CA 0.191 62.840 63.100 -0.751 0.000 0.858 300 P CB 0.196 31.697 31.700 -0.333 0.000 0.804 301 P HA 0.195 nan 4.420 nan 0.000 0.281 301 P C -1.909 175.032 177.300 -0.598 0.000 1.249 301 P CA -1.734 60.709 63.100 -1.095 0.000 0.810 301 P CB 0.587 31.731 31.700 -0.926 0.000 1.008 302 P HA 0.013 nan 4.420 nan 0.000 0.214 302 P C 0.036 177.192 177.300 -0.240 0.000 1.206 302 P CA 1.147 64.098 63.100 -0.248 0.000 0.715 302 P CB -0.408 31.198 31.700 -0.158 0.000 0.633 303 E N -2.349 117.737 120.200 -0.190 0.000 2.321 303 E HA 0.490 4.844 4.350 0.008 0.000 0.278 303 E C 0.278 176.765 176.600 -0.189 0.000 0.902 303 E CA -0.315 55.976 56.400 -0.182 0.000 0.758 303 E CB 0.945 30.559 29.700 -0.143 0.000 1.213 303 E HN 0.780 nan 8.360 nan 0.000 0.426 304 G N -0.498 108.162 108.800 -0.233 0.000 2.141 304 G HA2 0.215 4.179 3.960 0.008 0.000 0.242 304 G HA3 0.215 4.179 3.960 0.008 0.000 0.242 304 G C 0.756 175.409 174.900 -0.411 0.000 0.982 304 G CA 0.619 45.533 45.100 -0.310 0.000 0.662 304 G HN 2.012 nan 8.290 nan 0.000 0.527 305 A N -0.431 122.202 122.820 -0.312 0.000 2.351 305 A HA 0.739 5.063 4.320 0.008 0.000 0.257 305 A C -0.003 177.387 177.584 -0.323 0.000 1.087 305 A CA -0.172 51.731 52.037 -0.224 0.000 0.798 305 A CB 0.325 19.230 19.000 -0.158 0.000 1.033 305 A HN 0.640 nan 8.150 nan 0.000 0.488 306 F N 0.974 120.905 119.950 -0.031 0.000 2.404 306 F HA 0.413 4.944 4.527 0.007 0.000 0.345 306 F C 0.560 176.400 175.800 0.068 0.000 1.110 306 F CA -0.234 57.766 58.000 -0.000 0.000 1.130 306 F CB 1.230 40.238 39.000 0.014 0.000 1.129 306 F HN 0.279 nan 8.300 nan 0.000 0.500 307 V N 1.962 122.005 119.914 0.215 0.000 2.834 307 V HA 0.744 4.869 4.120 0.008 0.000 0.301 307 V C 0.454 176.748 176.094 0.334 0.000 1.066 307 V CA -0.642 61.803 62.300 0.241 0.000 1.052 307 V CB 1.273 33.200 31.823 0.173 0.000 1.021 307 V HN 0.913 nan 8.190 nan 0.000 0.480 308 G N 2.627 111.625 108.800 0.329 0.000 2.732 308 G HA2 0.736 4.700 3.960 0.008 0.000 0.295 308 G HA3 0.736 4.700 3.960 0.008 0.000 0.295 308 G C -1.389 173.699 174.900 0.313 0.000 1.456 308 G CA -0.433 44.832 45.100 0.274 0.000 1.050 308 G HN 0.710 nan 8.290 nan 0.000 0.525 309 F N 0.385 120.348 119.950 0.022 0.000 2.626 309 F HA 0.847 5.378 4.527 0.007 0.000 0.311 309 F C -1.282 174.493 175.800 -0.041 0.000 1.088 309 F CA -1.951 56.033 58.000 -0.028 0.000 0.949 309 F CB 1.712 40.699 39.000 -0.022 0.000 1.322 309 F HN 0.368 nan 8.300 nan 0.000 0.461 310 V N 3.277 123.194 119.914 0.005 0.000 2.531 310 V HA 0.510 4.634 4.120 0.008 0.000 0.301 310 V C -0.365 175.744 176.094 0.025 0.000 1.034 310 V CA -0.671 61.583 62.300 -0.077 0.000 0.865 310 V CB 1.635 33.391 31.823 -0.112 0.000 0.995 310 V HN 0.774 nan 8.190 nan 0.000 0.424 311 L N 3.133 124.382 121.223 0.043 0.000 2.344 311 L HA 0.438 4.783 4.340 0.008 0.000 0.272 311 L C 1.606 178.512 176.870 0.061 0.000 1.035 311 L CA -0.344 54.551 54.840 0.091 0.000 0.807 311 L CB 2.119 44.269 42.059 0.151 0.000 1.237 311 L HN 0.802 nan 8.230 nan 0.000 0.442 312 S N 1.058 116.804 115.700 0.076 0.000 2.402 312 S HA -0.033 4.441 4.470 0.008 0.000 0.229 312 S C 0.629 175.268 174.600 0.065 0.000 1.021 312 S CA 0.238 58.476 58.200 0.064 0.000 0.974 312 S CB -0.079 63.170 63.200 0.081 0.000 0.800 312 S HN 0.776 nan 8.310 nan 0.000 0.484 313 R N -0.147 120.407 120.500 0.089 0.000 2.734 313 R HA 0.465 4.810 4.340 0.008 0.000 0.271 313 R C 0.220 176.586 176.300 0.110 0.000 1.021 313 R CA -1.020 55.132 56.100 0.086 0.000 0.893 313 R CB 0.630 30.979 30.300 0.082 0.000 1.244 313 R HN -0.037 nan 8.270 nan 0.000 0.464 314 K N 0.295 120.754 120.400 0.098 0.000 2.283 314 K HA -0.038 4.286 4.320 0.008 0.000 0.202 314 K C -0.509 176.173 176.600 0.136 0.000 1.048 314 K CA 1.157 57.510 56.287 0.109 0.000 0.948 314 K CB -0.088 32.461 32.500 0.081 0.000 0.742 314 K HN 0.613 nan 8.250 nan 0.000 0.458 315 E N 2.630 122.928 120.200 0.163 0.000 2.166 315 E HA 0.109 4.464 4.350 0.008 0.000 0.279 315 E C -1.999 174.739 176.600 0.229 0.000 1.095 315 E CA -1.888 54.646 56.400 0.223 0.000 0.888 315 E CB 1.375 31.283 29.700 0.347 0.000 1.041 315 E HN 0.018 nan 8.360 nan 0.000 0.414 316 P HA -0.221 nan 4.420 nan 0.000 0.216 316 P C 1.041 178.387 177.300 0.077 0.000 1.153 316 P CA 1.207 64.384 63.100 0.129 0.000 0.858 316 P CB 0.183 31.940 31.700 0.096 0.000 0.789 317 M N -3.321 116.295 119.600 0.026 0.000 2.460 317 M HA -0.082 4.403 4.480 0.008 0.000 0.263 317 M C 1.069 177.235 176.300 -0.223 0.000 1.071 317 M CA 1.421 56.602 55.300 -0.198 0.000 1.096 317 M CB -1.318 31.049 32.600 -0.388 0.000 1.408 317 M HN 0.130 nan 8.290 nan 0.000 0.463 318 W N -0.547 120.817 121.300 0.106 0.000 2.940 318 W HA 0.448 5.113 4.660 0.007 0.000 0.297 318 W C 1.120 177.689 176.519 0.084 0.000 1.149 318 W CA -0.198 57.205 57.345 0.096 0.000 1.564 318 W CB -0.192 29.299 29.460 0.051 0.000 1.010 318 W HN -0.031 nan 8.180 nan 0.000 0.578 319 A N 1.261 124.248 122.820 0.279 0.000 2.448 319 A HA 0.182 4.507 4.320 0.008 0.000 0.239 319 A C -0.350 177.354 177.584 0.201 0.000 1.080 319 A CA 0.439 52.603 52.037 0.211 0.000 0.779 319 A CB 0.019 19.128 19.000 0.182 0.000 1.026 319 A HN 0.071 nan 8.150 nan 0.000 0.499 320 D N 0.665 121.172 120.400 0.179 0.000 2.308 320 D HA 0.301 4.946 4.640 0.008 0.000 0.242 320 D C -0.683 175.688 176.300 0.118 0.000 1.059 320 D CA -0.297 53.836 54.000 0.221 0.000 0.830 320 D CB 0.848 41.755 40.800 0.179 0.000 1.161 320 D HN 0.382 nan 8.370 nan 0.000 0.494 321 L N 5.768 126.983 121.223 -0.014 0.000 2.536 321 L HA 0.105 4.450 4.340 0.008 0.000 0.282 321 L C 1.162 177.880 176.870 -0.254 0.000 1.174 321 L CA -0.212 54.444 54.840 -0.308 0.000 0.989 321 L CB 0.203 41.736 42.059 -0.877 0.000 1.311 321 L HN 0.549 nan 8.230 nan 0.000 0.455 322 L N 4.249 125.421 121.223 -0.086 0.000 2.217 322 L HA 0.133 4.477 4.340 0.008 0.000 0.211 322 L C 0.785 177.600 176.870 -0.091 0.000 1.107 322 L CA 0.390 55.194 54.840 -0.059 0.000 0.783 322 L CB -0.244 41.800 42.059 -0.025 0.000 0.919 322 L HN 0.704 nan 8.230 nan 0.000 0.442 323 A N -0.185 122.572 122.820 -0.105 0.000 2.594 323 A HA 0.620 4.945 4.320 0.008 0.000 0.296 323 A C -1.659 175.872 177.584 -0.088 0.000 1.056 323 A CA -0.368 51.602 52.037 -0.111 0.000 0.693 323 A CB 1.400 20.349 19.000 -0.085 0.000 1.278 323 A HN -0.035 nan 8.150 nan 0.000 0.408 324 L N 1.384 122.517 121.223 -0.149 0.000 2.464 324 L HA 0.850 5.194 4.340 0.008 0.000 0.266 324 L C -0.225 176.550 176.870 -0.159 0.000 0.965 324 L CA -0.335 54.426 54.840 -0.131 0.000 0.833 324 L CB 1.783 43.681 42.059 -0.270 0.000 1.296 324 L HN 1.420 nan 8.230 nan 0.000 0.405 325 A N 3.594 126.431 122.820 0.028 0.000 2.525 325 A HA 1.043 5.368 4.320 0.008 0.000 0.291 325 A C -1.563 176.208 177.584 0.310 0.000 1.268 325 A CA -0.052 52.080 52.037 0.158 0.000 0.712 325 A CB 1.919 20.994 19.000 0.126 0.000 1.320 325 A HN 1.027 nan 8.150 nan 0.000 0.456 326 A N -1.445 121.591 122.820 0.360 0.000 2.589 326 A HA 0.858 5.182 4.320 0.008 0.000 0.296 326 A C -0.727 177.021 177.584 0.275 0.000 1.062 326 A CA 0.171 52.381 52.037 0.289 0.000 0.686 326 A CB 0.979 20.115 19.000 0.226 0.000 1.282 326 A HN 2.501 nan 8.150 nan 0.000 0.404 327 A N 1.556 124.521 122.820 0.242 0.000 2.374 327 A HA 0.950 5.275 4.320 0.008 0.000 0.305 327 A C -0.454 177.275 177.584 0.243 0.000 1.053 327 A CA -0.603 51.579 52.037 0.242 0.000 0.726 327 A CB 1.389 20.510 19.000 0.201 0.000 1.229 327 A HN 0.935 nan 8.150 nan 0.000 0.431 328 R N 1.153 121.777 120.500 0.205 0.000 2.604 328 R HA 0.556 4.901 4.340 0.008 0.000 0.261 328 R C 0.591 176.975 176.300 0.141 0.000 1.080 328 R CA 0.706 56.906 56.100 0.166 0.000 0.917 328 R CB 1.202 31.538 30.300 0.059 0.000 1.252 328 R HN 2.312 nan 8.270 nan 0.000 0.456 329 G N 2.182 111.052 108.800 0.116 0.000 2.720 329 G HA2 -0.332 3.633 3.960 0.008 0.000 0.293 329 G HA3 -0.332 3.633 3.960 0.008 0.000 0.293 329 G C 0.432 175.381 174.900 0.081 0.000 1.256 329 G CA 0.604 45.757 45.100 0.087 0.000 0.974 329 G HN 1.244 nan 8.290 nan 0.000 0.551 330 G N -0.676 108.169 108.800 0.075 0.000 4.596 330 G HA2 0.718 4.682 3.960 0.008 0.000 0.276 330 G HA3 0.718 4.682 3.960 0.008 0.000 0.276 330 G C 0.170 175.103 174.900 0.054 0.000 1.013 330 G CA 1.463 46.597 45.100 0.058 0.000 0.778 330 G HN 1.610 nan 8.290 nan 0.000 0.389 331 R N -0.346 120.201 120.500 0.079 0.000 2.832 331 R HA 0.923 5.268 4.340 0.008 0.000 0.271 331 R C -1.320 175.049 176.300 0.116 0.000 0.996 331 R CA -0.551 55.579 56.100 0.049 0.000 0.977 331 R CB 1.751 32.057 30.300 0.010 0.000 1.168 331 R HN 0.398 nan 8.270 nan 0.000 0.482 332 V N 2.179 122.120 119.914 0.045 0.000 2.656 332 V HA 0.511 4.635 4.120 0.008 0.000 0.307 332 V C -1.317 174.827 176.094 0.084 0.000 1.051 332 V CA -0.889 61.507 62.300 0.159 0.000 0.893 332 V CB 1.763 33.648 31.823 0.104 0.000 0.999 332 V HN 1.012 nan 8.190 nan 0.000 0.426 333 H N 3.219 122.380 119.070 0.151 0.000 2.505 333 H HA 0.662 5.223 4.556 0.008 0.000 0.338 333 H C -0.284 175.241 175.328 0.329 0.000 1.057 333 H CA -0.599 55.588 56.048 0.231 0.000 1.202 333 H CB 1.167 31.062 29.762 0.221 0.000 1.466 333 H HN 0.428 nan 8.280 nan 0.000 0.499 334 R N 1.792 122.501 120.500 0.347 0.000 2.387 334 R HA 0.681 5.025 4.340 0.008 0.000 0.314 334 R C -0.674 175.693 176.300 0.111 0.000 0.958 334 R CA -1.038 55.168 56.100 0.176 0.000 0.846 334 R CB 1.936 32.277 30.300 0.067 0.000 1.147 334 R HN 0.680 nan 8.270 nan 0.000 0.447 335 A N 4.944 127.578 122.820 -0.309 0.000 2.309 335 A HA 0.299 4.624 4.320 0.008 0.000 0.290 335 A C -1.350 175.996 177.584 -0.398 0.000 1.206 335 A CA -1.399 50.177 52.037 -0.769 0.000 0.850 335 A CB 0.325 18.123 19.000 -2.004 0.000 1.118 335 A HN 0.574 nan 8.150 nan 0.000 0.523 336 P HA -0.126 nan 4.420 nan 0.000 0.218 336 P C 0.013 177.235 177.300 -0.131 0.000 1.148 336 P CA 1.246 64.278 63.100 -0.113 0.000 0.822 336 P CB 0.330 32.010 31.700 -0.034 0.000 0.784 337 E N 0.411 120.500 120.200 -0.185 0.000 2.437 337 E HA 0.161 4.516 4.350 0.008 0.000 0.238 337 E C -1.830 174.638 176.600 -0.219 0.000 0.969 337 E CA -2.136 54.187 56.400 -0.129 0.000 0.759 337 E CB 1.640 31.312 29.700 -0.047 0.000 1.283 337 E HN 0.168 nan 8.360 nan 0.000 0.416 338 P HA -0.241 nan 4.420 nan 0.000 0.214 338 P C 0.976 178.114 177.300 -0.270 0.000 1.163 338 P CA 1.518 64.408 63.100 -0.350 0.000 0.889 338 P CB 0.116 31.581 31.700 -0.391 0.000 0.790 339 Y N 0.678 120.920 120.300 -0.096 0.000 2.207 339 Y HA -0.153 4.401 4.550 0.007 0.000 0.287 339 Y C 2.925 178.794 175.900 -0.051 0.000 1.156 339 Y CA 1.481 59.544 58.100 -0.062 0.000 1.182 339 Y CB -0.969 37.466 38.460 -0.043 0.000 0.979 339 Y HN -0.025 nan 8.280 nan 0.000 0.521 340 K N 0.355 120.806 120.400 0.085 0.000 2.062 340 K HA -0.121 4.204 4.320 0.008 0.000 0.205 340 K C 2.267 178.901 176.600 0.057 0.000 1.051 340 K CA 1.082 57.405 56.287 0.060 0.000 0.941 340 K CB -0.292 32.232 32.500 0.040 0.000 0.719 340 K HN 0.248 nan 8.250 nan 0.000 0.440 341 A N 1.877 124.663 122.820 -0.056 0.000 1.978 341 A HA -0.117 4.207 4.320 0.008 0.000 0.220 341 A C 2.176 179.848 177.584 0.147 0.000 1.170 341 A CA 1.075 53.102 52.037 -0.018 0.000 0.636 341 A CB -0.539 18.010 19.000 -0.752 0.000 0.810 341 A HN 0.329 nan 8.150 nan 0.000 0.448 342 L N -1.294 119.945 121.223 0.027 0.000 2.013 342 L HA -0.262 4.083 4.340 0.008 0.000 0.212 342 L C 2.803 179.718 176.870 0.075 0.000 1.073 342 L CA 1.756 56.617 54.840 0.035 0.000 0.753 342 L CB -0.490 41.566 42.059 -0.006 0.000 0.890 342 L HN 0.269 nan 8.230 nan 0.000 0.432 343 R N 0.274 120.823 120.500 0.081 0.000 2.139 343 R HA -0.173 4.172 4.340 0.008 0.000 0.243 343 R C 1.875 178.221 176.300 0.077 0.000 1.145 343 R CA 1.333 57.474 56.100 0.069 0.000 0.976 343 R CB -0.768 29.573 30.300 0.067 0.000 0.866 343 R HN 0.432 nan 8.270 nan 0.000 0.449 344 D N 0.208 120.694 120.400 0.143 0.000 2.117 344 D HA -0.081 4.563 4.640 0.008 0.000 0.198 344 D C 0.491 176.812 176.300 0.035 0.000 0.982 344 D CA 0.683 54.748 54.000 0.108 0.000 0.828 344 D CB -0.076 40.852 40.800 0.213 0.000 0.967 344 D HN 0.171 nan 8.370 nan 0.000 0.464 345 L N 0.404 121.672 121.223 0.075 0.000 2.483 345 L HA 0.095 4.440 4.340 0.008 0.000 0.276 345 L C 1.744 178.597 176.870 -0.029 0.000 1.213 345 L CA 0.130 54.975 54.840 0.008 0.000 0.843 345 L CB 0.477 42.555 42.059 0.032 0.000 1.107 345 L HN -0.058 nan 8.230 nan 0.000 0.487 346 K N 2.449 122.811 120.400 -0.062 0.000 2.367 346 K HA 0.232 4.556 4.320 0.008 0.000 0.195 346 K C 0.479 177.035 176.600 -0.073 0.000 1.060 346 K CA 0.433 56.682 56.287 -0.063 0.000 1.022 346 K CB 0.572 33.028 32.500 -0.074 0.000 0.894 346 K HN 0.791 nan 8.250 nan 0.000 0.540 347 E N -1.249 118.896 120.200 -0.091 0.000 2.390 347 E HA 0.470 4.824 4.350 0.008 0.000 0.280 347 E C -1.748 174.783 176.600 -0.115 0.000 0.992 347 E CA 0.038 56.374 56.400 -0.106 0.000 0.790 347 E CB 1.857 31.480 29.700 -0.129 0.000 1.248 347 E HN 0.185 nan 8.360 nan 0.000 0.447 348 E N 3.275 123.407 120.200 -0.113 0.000 2.055 348 E HA 0.414 4.769 4.350 0.008 0.000 0.274 348 E C -0.870 175.674 176.600 -0.093 0.000 0.949 348 E CA -0.546 55.792 56.400 -0.104 0.000 0.775 348 E CB 0.863 30.491 29.700 -0.121 0.000 1.097 348 E HN 0.332 nan 8.360 nan 0.000 0.404 349 R N 1.333 121.763 120.500 -0.116 0.000 2.393 349 R HA 0.788 5.132 4.340 0.008 0.000 0.315 349 R C 0.189 176.533 176.300 0.073 0.000 0.952 349 R CA -0.176 55.832 56.100 -0.154 0.000 0.842 349 R CB 1.952 31.938 30.300 -0.523 0.000 1.163 349 R HN 0.917 nan 8.270 nan 0.000 0.450 350 G N 1.564 110.493 108.800 0.215 0.000 2.369 350 G HA2 -0.028 3.937 3.960 0.008 0.000 0.295 350 G HA3 -0.028 3.937 3.960 0.008 0.000 0.295 350 G C -1.486 173.590 174.900 0.295 0.000 1.298 350 G CA -1.248 44.065 45.100 0.355 0.000 0.940 350 G HN 0.245 nan 8.290 nan 0.000 0.536 351 L N 1.398 122.792 121.223 0.284 0.000 2.667 351 L HA 0.149 4.493 4.340 0.008 0.000 0.278 351 L C 1.734 178.753 176.870 0.247 0.000 1.217 351 L CA 0.989 55.952 54.840 0.204 0.000 0.935 351 L CB -0.755 41.411 42.059 0.178 0.000 1.193 351 L HN 0.978 nan 8.230 nan 0.000 0.493 352 L N 2.472 123.796 121.223 0.169 0.000 3.634 352 L HA -0.324 4.020 4.340 0.008 0.000 0.423 352 L C 1.727 178.797 176.870 0.332 0.000 1.253 352 L CA 0.391 55.360 54.840 0.214 0.000 0.885 352 L CB -1.780 40.398 42.059 0.198 0.000 1.789 352 L HN 0.801 nan 8.230 nan 0.000 0.904 353 A N 0.271 123.226 122.820 0.225 0.000 1.917 353 A HA -0.253 4.071 4.320 0.008 0.000 0.219 353 A C 2.266 179.870 177.584 0.032 0.000 1.182 353 A CA 2.243 54.352 52.037 0.120 0.000 0.633 353 A CB -0.272 18.770 19.000 0.070 0.000 0.819 353 A HN 0.655 nan 8.150 nan 0.000 0.448 354 K N -0.551 119.875 120.400 0.044 0.000 2.009 354 K HA -0.255 4.070 4.320 0.008 0.000 0.210 354 K C 1.483 178.086 176.600 0.004 0.000 1.049 354 K CA 1.965 58.252 56.287 -0.001 0.000 0.929 354 K CB -0.364 32.143 32.500 0.012 0.000 0.714 354 K HN 0.391 nan 8.250 nan 0.000 0.440 355 D N 0.949 121.400 120.400 0.085 0.000 2.116 355 D HA -0.198 4.447 4.640 0.008 0.000 0.193 355 D C 1.877 178.187 176.300 0.016 0.000 0.998 355 D CA 0.985 55.053 54.000 0.113 0.000 0.836 355 D CB -0.267 40.680 40.800 0.244 0.000 0.951 355 D HN 0.189 nan 8.370 nan 0.000 0.449 356 L N 0.448 121.575 121.223 -0.160 0.000 2.093 356 L HA -0.102 4.243 4.340 0.008 0.000 0.208 356 L C 2.218 178.919 176.870 -0.281 0.000 1.085 356 L CA 1.561 56.094 54.840 -0.511 0.000 0.755 356 L CB -0.731 40.585 42.059 -1.238 0.000 0.904 356 L HN -0.057 nan 8.230 nan 0.000 0.435 357 S N -1.549 114.030 115.700 -0.201 0.000 2.383 357 S HA -0.137 4.338 4.470 0.008 0.000 0.227 357 S C 1.964 176.481 174.600 -0.139 0.000 1.026 357 S CA 1.446 59.548 58.200 -0.164 0.000 0.981 357 S CB -0.416 62.690 63.200 -0.158 0.000 0.818 357 S HN 0.293 nan 8.310 nan 0.000 0.472 358 V N 1.844 121.697 119.914 -0.103 0.000 2.358 358 V HA -0.085 4.040 4.120 0.008 0.000 0.246 358 V C 2.412 178.464 176.094 -0.070 0.000 1.047 358 V CA 1.884 64.141 62.300 -0.072 0.000 1.035 358 V CB -0.636 31.176 31.823 -0.018 0.000 0.658 358 V HN 0.586 nan 8.190 nan 0.000 0.452 359 L N 0.006 121.189 121.223 -0.066 0.000 2.093 359 L HA -0.107 4.237 4.340 0.008 0.000 0.208 359 L C 2.505 179.343 176.870 -0.053 0.000 1.085 359 L CA 1.678 56.488 54.840 -0.049 0.000 0.755 359 L CB -0.462 41.579 42.059 -0.030 0.000 0.904 359 L HN 0.316 nan 8.230 nan 0.000 0.435 360 A N 0.155 122.926 122.820 -0.081 0.000 1.902 360 A HA -0.195 4.130 4.320 0.008 0.000 0.217 360 A C 2.154 179.711 177.584 -0.046 0.000 1.181 360 A CA 1.733 53.733 52.037 -0.061 0.000 0.623 360 A CB -0.828 18.121 19.000 -0.086 0.000 0.818 360 A HN 0.501 nan 8.150 nan 0.000 0.443 361 L N -1.017 120.170 121.223 -0.060 0.000 2.083 361 L HA -0.179 4.165 4.340 0.008 0.000 0.209 361 L C 2.765 179.607 176.870 -0.047 0.000 1.083 361 L CA 1.691 56.508 54.840 -0.037 0.000 0.752 361 L CB -0.504 41.533 42.059 -0.037 0.000 0.899 361 L HN 0.462 nan 8.230 nan 0.000 0.433 362 R N 0.380 120.832 120.500 -0.081 0.000 2.193 362 R HA -0.190 4.155 4.340 0.008 0.000 0.229 362 R C 1.543 177.786 176.300 -0.095 0.000 1.110 362 R CA 1.206 57.225 56.100 -0.134 0.000 0.988 362 R CB 0.124 30.315 30.300 -0.182 0.000 0.871 362 R HN 0.169 nan 8.270 nan 0.000 0.458 363 E N -1.087 119.085 120.200 -0.045 0.000 2.463 363 E HA 0.123 4.477 4.350 0.008 0.000 0.193 363 E C 0.485 177.074 176.600 -0.019 0.000 1.041 363 E CA 0.585 56.972 56.400 -0.022 0.000 0.879 363 E CB 0.650 30.368 29.700 0.030 0.000 0.997 363 E HN 0.495 nan 8.360 nan 0.000 0.478 364 G N -0.262 108.524 108.800 -0.022 0.000 2.175 364 G HA2 -0.264 3.701 3.960 0.008 0.000 0.244 364 G HA3 -0.264 3.701 3.960 0.008 0.000 0.244 364 G C 0.084 174.985 174.900 0.002 0.000 0.982 364 G CA 0.401 45.495 45.100 -0.010 0.000 0.641 364 G HN 0.166 nan 8.290 nan 0.000 0.527 365 L N -0.147 121.076 121.223 0.001 0.000 2.600 365 L HA 0.729 5.073 4.340 0.008 0.000 0.221 365 L C 1.639 178.516 176.870 0.011 0.000 1.197 365 L CA 1.046 55.888 54.840 0.004 0.000 0.838 365 L CB 0.598 42.656 42.059 -0.003 0.000 1.474 365 L HN 0.390 nan 8.230 nan 0.000 0.514 366 G N -0.227 108.579 108.800 0.009 0.000 5.084 366 G HA2 0.260 4.224 3.960 0.008 0.000 0.241 366 G HA3 0.260 4.224 3.960 0.008 0.000 0.241 366 G C -0.943 173.956 174.900 -0.002 0.000 0.918 366 G CA -0.207 44.910 45.100 0.029 0.000 0.754 366 G HN 0.271 nan 8.290 nan 0.000 0.478 367 L N 3.412 124.615 121.223 -0.034 0.000 2.485 367 L HA 0.381 4.726 4.340 0.008 0.000 0.279 367 L C -1.855 174.963 176.870 -0.086 0.000 1.124 367 L CA -1.987 52.818 54.840 -0.058 0.000 0.888 367 L CB 0.253 42.268 42.059 -0.073 0.000 1.217 367 L HN 0.020 nan 8.230 nan 0.000 0.464 368 P HA 0.340 nan 4.420 nan 0.000 0.286 368 P C -2.915 174.324 177.300 -0.102 0.000 1.261 368 P CA -1.987 61.057 63.100 -0.093 0.000 0.821 368 P CB 0.915 32.591 31.700 -0.040 0.000 1.013 369 P HA 0.164 nan 4.420 nan 0.000 0.281 369 P C 0.099 177.351 177.300 -0.080 0.000 1.252 369 P CA 0.357 63.403 63.100 -0.090 0.000 0.778 369 P CB 1.227 32.876 31.700 -0.085 0.000 0.895 370 G N 2.777 111.530 108.800 -0.077 0.000 3.414 370 G HA2 0.190 4.154 3.960 0.008 0.000 0.189 370 G HA3 0.190 4.154 3.960 0.008 0.000 0.189 370 G C -0.462 174.418 174.900 -0.033 0.000 1.329 370 G CA -0.289 44.758 45.100 -0.087 0.000 0.851 370 G HN 0.380 nan 8.290 nan 0.000 0.671 371 D N 0.901 121.267 120.400 -0.057 0.000 2.423 371 D HA 0.355 4.999 4.640 0.008 0.000 0.238 371 D C -0.928 175.473 176.300 0.168 0.000 1.142 371 D CA 0.808 54.862 54.000 0.090 0.000 0.884 371 D CB 1.558 42.216 40.800 -0.236 0.000 1.199 371 D HN 0.244 nan 8.370 nan 0.000 0.438 372 D N 1.102 121.717 120.400 0.359 0.000 2.470 372 D HA 0.123 4.767 4.640 0.008 0.000 0.233 372 D C -2.083 174.428 176.300 0.352 0.000 1.372 372 D CA -1.556 52.629 54.000 0.308 0.000 0.994 372 D CB 1.908 42.842 40.800 0.223 0.000 1.377 372 D HN -0.049 nan 8.370 nan 0.000 0.586 373 P HA -0.181 nan 4.420 nan 0.000 0.220 373 P C 1.666 179.027 177.300 0.103 0.000 1.144 373 P CA 0.673 63.910 63.100 0.229 0.000 0.800 373 P CB 0.276 32.097 31.700 0.201 0.000 0.772 374 M N -0.847 118.820 119.600 0.113 0.000 2.159 374 M HA -0.073 4.412 4.480 0.008 0.000 0.263 374 M C 2.368 178.742 176.300 0.123 0.000 1.063 374 M CA 1.321 56.663 55.300 0.071 0.000 1.110 374 M CB -1.406 31.208 32.600 0.024 0.000 1.374 374 M HN 0.018 nan 8.290 nan 0.000 0.411 375 L N -0.634 120.699 121.223 0.183 0.000 2.141 375 L HA -0.178 4.166 4.340 0.008 0.000 0.209 375 L C 2.350 179.357 176.870 0.227 0.000 1.094 375 L CA 0.738 55.743 54.840 0.275 0.000 0.763 375 L CB -0.557 41.748 42.059 0.409 0.000 0.908 375 L HN 0.273 nan 8.230 nan 0.000 0.437 376 L N -0.605 120.653 121.223 0.059 0.000 2.095 376 L HA -0.097 4.248 4.340 0.008 0.000 0.204 376 L C 2.897 179.697 176.870 -0.117 0.000 1.080 376 L CA 0.964 55.720 54.840 -0.140 0.000 0.759 376 L CB -0.714 41.172 42.059 -0.287 0.000 0.914 376 L HN 0.204 nan 8.230 nan 0.000 0.439 377 A N -0.387 122.371 122.820 -0.103 0.000 1.877 377 A HA -0.295 4.030 4.320 0.008 0.000 0.216 377 A C 2.211 179.832 177.584 0.062 0.000 1.186 377 A CA 1.518 53.482 52.037 -0.122 0.000 0.620 377 A CB -0.982 17.978 19.000 -0.067 0.000 0.822 377 A HN 0.440 nan 8.150 nan 0.000 0.443 378 Y N 0.497 120.800 120.300 0.005 0.000 2.193 378 Y HA -0.183 4.371 4.550 0.007 0.000 0.285 378 Y C 1.913 177.842 175.900 0.048 0.000 1.166 378 Y CA 1.776 59.902 58.100 0.043 0.000 1.181 378 Y CB -0.311 38.183 38.460 0.058 0.000 0.976 378 Y HN 0.227 nan 8.280 nan 0.000 0.520 379 L N -0.922 120.314 121.223 0.023 0.000 2.217 379 L HA -0.193 4.152 4.340 0.008 0.000 0.211 379 L C 2.315 179.138 176.870 -0.079 0.000 1.107 379 L CA 0.740 55.545 54.840 -0.058 0.000 0.783 379 L CB -0.381 41.701 42.059 0.039 0.000 0.919 379 L HN 0.273 nan 8.230 nan 0.000 0.442 380 L N -1.120 120.066 121.223 -0.062 0.000 2.156 380 L HA -0.030 4.315 4.340 0.008 0.000 0.208 380 L C 0.278 177.174 176.870 0.043 0.000 1.095 380 L CA 0.777 55.592 54.840 -0.042 0.000 0.770 380 L CB 0.105 42.118 42.059 -0.076 0.000 0.914 380 L HN 0.221 nan 8.230 nan 0.000 0.439 381 D N -1.425 118.996 120.400 0.035 0.000 2.419 381 D HA 0.091 4.735 4.640 0.008 0.000 0.219 381 D C -2.254 174.064 176.300 0.031 0.000 1.349 381 D CA -1.243 52.812 54.000 0.091 0.000 0.964 381 D CB 1.609 42.432 40.800 0.038 0.000 1.463 381 D HN -0.224 nan 8.370 nan 0.000 0.573 382 P HA -0.076 nan 4.420 nan 0.000 0.236 382 P C 0.836 178.227 177.300 0.153 0.000 1.172 382 P CA 0.458 63.472 63.100 -0.143 0.000 0.759 382 P CB 0.083 31.613 31.700 -0.283 0.000 0.843 383 S N -2.303 113.472 115.700 0.124 0.000 2.558 383 S HA 0.064 4.538 4.470 0.008 0.000 0.217 383 S C 0.942 175.617 174.600 0.125 0.000 0.975 383 S CA -0.358 57.912 58.200 0.116 0.000 0.912 383 S CB -0.790 62.456 63.200 0.076 0.000 0.776 383 S HN -0.016 nan 8.310 nan 0.000 0.526 384 N N 3.088 121.891 118.700 0.172 0.000 2.555 384 N HA 0.175 4.920 4.740 0.008 0.000 0.244 384 N C 0.602 176.228 175.510 0.194 0.000 1.114 384 N CA 0.544 53.700 53.050 0.176 0.000 0.963 384 N CB 1.376 39.997 38.487 0.222 0.000 1.276 384 N HN 0.658 nan 8.380 nan 0.000 0.510 385 T N -3.049 111.567 114.554 0.103 0.000 2.975 385 T HA 0.065 4.420 4.350 0.008 0.000 0.257 385 T C 0.815 175.491 174.700 -0.040 0.000 1.003 385 T CA -0.068 62.056 62.100 0.040 0.000 0.932 385 T CB 0.253 69.149 68.868 0.046 0.000 1.087 385 T HN 0.347 nan 8.240 nan 0.000 0.512 386 T N -0.404 114.117 114.554 -0.055 0.000 2.907 386 T HA 0.566 4.921 4.350 0.008 0.000 0.292 386 T C -2.248 172.325 174.700 -0.213 0.000 1.043 386 T CA -1.868 60.149 62.100 -0.138 0.000 1.003 386 T CB 2.503 71.301 68.868 -0.116 0.000 1.084 386 T HN -0.245 nan 8.240 nan 0.000 0.483 387 P HA -0.108 nan 4.420 nan 0.000 0.215 387 P C 0.945 178.010 177.300 -0.392 0.000 1.153 387 P CA 1.289 64.034 63.100 -0.591 0.000 0.853 387 P CB 0.232 31.073 31.700 -1.432 0.000 0.788 388 E N 0.334 120.313 120.200 -0.370 0.000 2.086 388 E HA -0.155 4.200 4.350 0.008 0.000 0.200 388 E C 2.421 179.008 176.600 -0.022 0.000 1.012 388 E CA 2.003 58.358 56.400 -0.075 0.000 0.812 388 E CB -1.493 28.201 29.700 -0.010 0.000 0.743 388 E HN 0.349 nan 8.360 nan 0.000 0.453 389 G N 0.007 108.780 108.800 -0.046 0.000 2.394 389 G HA2 -0.182 3.782 3.960 0.008 0.000 0.215 389 G HA3 -0.182 3.782 3.960 0.008 0.000 0.215 389 G C 1.751 176.650 174.900 -0.001 0.000 1.165 389 G CA 0.691 45.778 45.100 -0.021 0.000 0.784 389 G HN 0.194 nan 8.290 nan 0.000 0.535 390 V N 1.563 121.497 119.914 0.034 0.000 2.407 390 V HA -0.137 3.988 4.120 0.008 0.000 0.248 390 V C 3.284 179.477 176.094 0.165 0.000 1.055 390 V CA 2.015 64.415 62.300 0.166 0.000 1.049 390 V CB -0.680 31.222 31.823 0.131 0.000 0.662 390 V HN 0.473 nan 8.190 nan 0.000 0.455 391 A N 0.297 123.168 122.820 0.086 0.000 1.873 391 A HA -0.187 4.137 4.320 0.008 0.000 0.215 391 A C 2.547 180.173 177.584 0.069 0.000 1.186 391 A CA 2.362 54.467 52.037 0.114 0.000 0.616 391 A CB -0.736 18.364 19.000 0.166 0.000 0.823 391 A HN 0.488 nan 8.150 nan 0.000 0.442 392 R N 0.094 120.613 120.500 0.032 0.000 2.096 392 R HA -0.103 4.241 4.340 0.008 0.000 0.235 392 R C 2.303 178.557 176.300 -0.077 0.000 1.127 392 R CA 2.130 58.224 56.100 -0.009 0.000 0.968 392 R CB -1.019 29.273 30.300 -0.014 0.000 0.861 392 R HN 0.728 nan 8.270 nan 0.000 0.440 393 R N -1.469 118.936 120.500 -0.159 0.000 2.093 393 R HA 0.007 4.352 4.340 0.008 0.000 0.224 393 R C 0.908 176.901 176.300 -0.511 0.000 1.101 393 R CA 1.428 57.288 56.100 -0.399 0.000 0.979 393 R CB -0.025 29.886 30.300 -0.649 0.000 0.877 393 R HN 0.555 nan 8.270 nan 0.000 0.441 394 Y N -1.251 119.043 120.300 -0.010 0.000 2.555 394 Y HA 0.421 4.975 4.550 0.007 0.000 0.259 394 Y C 0.702 176.600 175.900 -0.004 0.000 1.179 394 Y CA 0.091 58.183 58.100 -0.013 0.000 1.230 394 Y CB 1.683 40.133 38.460 -0.018 0.000 1.146 394 Y HN 0.319 nan 8.280 nan 0.000 0.526 395 G N -1.001 107.853 108.800 0.091 0.000 2.207 395 G HA2 0.298 4.262 3.960 0.008 0.000 0.193 395 G HA3 0.298 4.262 3.960 0.008 0.000 0.193 395 G C 0.123 175.061 174.900 0.063 0.000 1.050 395 G CA -0.266 44.876 45.100 0.070 0.000 0.780 395 G HN 0.727 nan 8.290 nan 0.000 0.504 396 G N -0.855 107.984 108.800 0.064 0.000 2.341 396 G HA2 0.598 4.563 3.960 0.008 0.000 0.299 396 G HA3 0.598 4.563 3.960 0.008 0.000 0.299 396 G C -1.807 173.142 174.900 0.081 0.000 1.274 396 G CA 0.211 45.353 45.100 0.070 0.000 0.853 396 G HN 0.616 nan 8.290 nan 0.000 0.493 397 E N 0.023 120.279 120.200 0.093 0.000 2.241 397 E HA 0.293 4.647 4.350 0.008 0.000 0.263 397 E C -1.224 175.471 176.600 0.159 0.000 0.882 397 E CA -0.944 55.521 56.400 0.108 0.000 0.769 397 E CB 1.688 31.421 29.700 0.055 0.000 1.185 397 E HN 0.585 nan 8.360 nan 0.000 0.415 398 W N 7.622 128.919 121.300 -0.005 0.000 2.437 398 W HA 0.123 4.788 4.660 0.008 0.000 0.312 398 W C -0.415 176.091 176.519 -0.021 0.000 1.242 398 W CA 0.005 57.342 57.345 -0.014 0.000 1.340 398 W CB 0.796 30.248 29.460 -0.013 0.000 1.327 398 W HN 0.691 nan 8.180 nan 0.000 0.476 399 T N 1.648 115.939 114.554 -0.437 0.000 2.850 399 T HA 0.301 4.655 4.350 0.008 0.000 0.269 399 T C 0.388 174.725 174.700 -0.605 0.000 1.075 399 T CA -0.216 61.645 62.100 -0.398 0.000 0.987 399 T CB 1.304 70.034 68.868 -0.230 0.000 1.889 399 T HN 0.362 nan 8.240 nan 0.000 0.584 400 E N 0.147 120.122 120.200 -0.376 0.000 2.660 400 E HA 0.285 4.639 4.350 0.008 0.000 0.216 400 E C -0.257 176.180 176.600 -0.271 0.000 0.986 400 E CA -0.119 56.078 56.400 -0.337 0.000 1.037 400 E CB 0.681 30.262 29.700 -0.198 0.000 1.041 400 E HN 0.578 nan 8.360 nan 0.000 0.480 401 E N 0.446 120.488 120.200 -0.263 0.000 2.171 401 E HA 0.441 4.796 4.350 0.008 0.000 0.271 401 E C 0.362 176.851 176.600 -0.185 0.000 0.916 401 E CA -0.350 55.943 56.400 -0.179 0.000 0.774 401 E CB 1.850 31.477 29.700 -0.121 0.000 1.128 401 E HN -0.034 nan 8.360 nan 0.000 0.403 402 A N 3.888 126.630 122.820 -0.130 0.000 1.972 402 A HA -0.093 4.232 4.320 0.008 0.000 0.219 402 A C 1.770 179.346 177.584 -0.013 0.000 1.169 402 A CA 1.879 53.870 52.037 -0.076 0.000 0.635 402 A CB -0.537 18.444 19.000 -0.031 0.000 0.810 402 A HN 0.699 nan 8.150 nan 0.000 0.446 403 G N -0.414 108.380 108.800 -0.010 0.000 2.414 403 G HA2 -0.189 3.776 3.960 0.008 0.000 0.215 403 G HA3 -0.189 3.776 3.960 0.008 0.000 0.215 403 G C 1.400 176.312 174.900 0.021 0.000 1.188 403 G CA 0.898 46.018 45.100 0.033 0.000 0.783 403 G HN 0.622 nan 8.290 nan 0.000 0.537 404 E N 0.091 120.276 120.200 -0.025 0.000 2.118 404 E HA -0.093 4.261 4.350 0.008 0.000 0.195 404 E C 2.712 179.295 176.600 -0.027 0.000 0.992 404 E CA 0.570 56.951 56.400 -0.032 0.000 0.804 404 E CB -0.074 29.583 29.700 -0.072 0.000 0.741 404 E HN 0.320 nan 8.360 nan 0.000 0.458 405 R N 0.101 120.557 120.500 -0.073 0.000 2.115 405 R HA -0.032 4.312 4.340 0.008 0.000 0.226 405 R C 2.278 178.637 176.300 0.099 0.000 1.100 405 R CA 0.939 57.016 56.100 -0.039 0.000 0.980 405 R CB -0.116 30.070 30.300 -0.191 0.000 0.875 405 R HN 0.097 nan 8.270 nan 0.000 0.445 406 A N 1.068 123.953 122.820 0.109 0.000 1.897 406 A HA -0.040 4.285 4.320 0.008 0.000 0.215 406 A C 2.328 180.002 177.584 0.149 0.000 1.181 406 A CA 1.453 53.597 52.037 0.178 0.000 0.620 406 A CB -0.537 18.579 19.000 0.193 0.000 0.821 406 A HN 0.362 nan 8.150 nan 0.000 0.443 407 A N -0.337 122.544 122.820 0.100 0.000 1.877 407 A HA -0.051 4.273 4.320 0.008 0.000 0.216 407 A C 2.143 179.752 177.584 0.041 0.000 1.186 407 A CA 1.758 53.835 52.037 0.067 0.000 0.620 407 A CB -0.681 18.350 19.000 0.052 0.000 0.822 407 A HN 0.688 nan 8.150 nan 0.000 0.443 408 L N 0.128 121.390 121.223 0.065 0.000 2.012 408 L HA -0.135 4.210 4.340 0.008 0.000 0.210 408 L C 2.526 179.434 176.870 0.063 0.000 1.073 408 L CA 2.659 57.548 54.840 0.083 0.000 0.748 408 L CB -0.738 41.410 42.059 0.148 0.000 0.891 408 L HN 0.302 nan 8.230 nan 0.000 0.431 409 S N -0.575 115.181 115.700 0.092 0.000 2.370 409 S HA -0.285 4.189 4.470 0.008 0.000 0.226 409 S C 1.847 176.286 174.600 -0.268 0.000 1.033 409 S CA 1.618 59.858 58.200 0.068 0.000 1.011 409 S CB -0.409 62.932 63.200 0.235 0.000 0.852 409 S HN 0.655 nan 8.310 nan 0.000 0.457 410 E N 1.553 121.472 120.200 -0.469 0.000 2.031 410 E HA -0.246 4.108 4.350 0.008 0.000 0.193 410 E C 2.288 178.619 176.600 -0.449 0.000 0.994 410 E CA 1.322 57.128 56.400 -0.989 0.000 0.800 410 E CB -0.145 29.286 29.700 -0.449 0.000 0.752 410 E HN 0.618 nan 8.360 nan 0.000 0.447 411 R N 0.563 120.956 120.500 -0.179 0.000 2.075 411 R HA -0.098 4.247 4.340 0.008 0.000 0.232 411 R C 2.538 178.818 176.300 -0.034 0.000 1.126 411 R CA 1.467 57.526 56.100 -0.068 0.000 0.963 411 R CB -0.812 29.479 30.300 -0.014 0.000 0.858 411 R HN 0.213 nan 8.270 nan 0.000 0.435 412 L N 0.154 121.369 121.223 -0.014 0.000 2.012 412 L HA -0.169 4.176 4.340 0.008 0.000 0.210 412 L C 2.631 179.502 176.870 0.002 0.000 1.073 412 L CA 1.582 56.439 54.840 0.027 0.000 0.748 412 L CB -0.581 41.519 42.059 0.069 0.000 0.891 412 L HN 0.156 nan 8.230 nan 0.000 0.431 413 F N 0.873 120.736 119.950 -0.145 0.000 2.126 413 F HA -0.252 4.279 4.527 0.007 0.000 0.299 413 F C 2.465 178.261 175.800 -0.006 0.000 1.096 413 F CA 1.342 59.290 58.000 -0.087 0.000 1.255 413 F CB -0.293 38.602 39.000 -0.175 0.000 0.997 413 F HN 0.007 nan 8.300 nan 0.000 0.479 414 A N 0.045 122.859 122.820 -0.011 0.000 1.883 414 A HA -0.263 4.061 4.320 0.008 0.000 0.217 414 A C 2.059 179.629 177.584 -0.024 0.000 1.186 414 A CA 2.096 54.134 52.037 0.002 0.000 0.624 414 A CB -1.194 17.825 19.000 0.032 0.000 0.822 414 A HN 0.531 nan 8.150 nan 0.000 0.444 415 N N -0.177 118.502 118.700 -0.034 0.000 2.080 415 N HA -0.048 4.697 4.740 0.008 0.000 0.189 415 N C 1.605 177.050 175.510 -0.108 0.000 1.036 415 N CA 1.586 54.619 53.050 -0.029 0.000 0.846 415 N CB -0.386 38.116 38.487 0.026 0.000 1.015 415 N HN 0.422 nan 8.380 nan 0.000 0.423 416 L N -0.551 120.552 121.223 -0.200 0.000 2.079 416 L HA -0.183 4.162 4.340 0.008 0.000 0.210 416 L C 2.352 179.030 176.870 -0.320 0.000 1.081 416 L CA 1.024 55.657 54.840 -0.344 0.000 0.752 416 L CB -0.466 41.345 42.059 -0.413 0.000 0.896 416 L HN 0.447 nan 8.230 nan 0.000 0.433 417 W N 1.082 122.055 121.300 -0.544 0.000 2.355 417 W HA -0.170 4.494 4.660 0.007 0.000 0.309 417 W C 2.096 178.433 176.519 -0.302 0.000 1.206 417 W CA 1.788 58.800 57.345 -0.555 0.000 1.284 417 W CB -0.428 28.551 29.460 -0.801 0.000 1.145 417 W HN 0.215 nan 8.180 nan 0.000 0.502 418 G N 1.559 110.279 108.800 -0.134 0.000 2.469 418 G HA2 -0.357 3.608 3.960 0.008 0.000 0.219 418 G HA3 -0.357 3.608 3.960 0.008 0.000 0.219 418 G C 1.539 176.311 174.900 -0.214 0.000 1.150 418 G CA 1.464 46.480 45.100 -0.140 0.000 0.763 418 G HN 0.483 nan 8.290 nan 0.000 0.561 419 R N 0.039 120.418 120.500 -0.201 0.000 2.316 419 R HA 0.249 4.594 4.340 0.008 0.000 0.202 419 R C 1.755 177.912 176.300 -0.239 0.000 1.029 419 R CA 0.497 56.490 56.100 -0.178 0.000 1.018 419 R CB -0.374 29.853 30.300 -0.122 0.000 0.888 419 R HN 0.372 nan 8.270 nan 0.000 0.471 420 L N 1.386 122.383 121.223 -0.377 0.000 2.607 420 L HA 0.141 4.485 4.340 0.008 0.000 0.228 420 L C 0.790 177.407 176.870 -0.423 0.000 1.123 420 L CA 0.078 54.668 54.840 -0.418 0.000 0.890 420 L CB 0.019 41.727 42.059 -0.586 0.000 1.103 420 L HN 0.364 nan 8.230 nan 0.000 0.468 421 E N 0.305 120.274 120.200 -0.385 0.000 2.351 421 E HA 0.372 4.726 4.350 0.008 0.000 0.266 421 E C 1.208 177.706 176.600 -0.171 0.000 1.031 421 E CA 0.377 56.606 56.400 -0.285 0.000 0.911 421 E CB -0.029 29.551 29.700 -0.201 0.000 0.986 421 E HN 0.464 nan 8.360 nan 0.000 0.446 422 G N 1.947 110.666 108.800 -0.135 0.000 2.213 422 G HA2 -0.197 3.768 3.960 0.008 0.000 0.236 422 G HA3 -0.197 3.768 3.960 0.008 0.000 0.236 422 G C 0.367 175.227 174.900 -0.066 0.000 0.991 422 G CA 0.146 45.200 45.100 -0.076 0.000 0.629 422 G HN 0.605 nan 8.290 nan 0.000 0.517 423 E N 1.349 121.488 120.200 -0.102 0.000 2.122 423 E HA 0.476 4.830 4.350 0.008 0.000 0.288 423 E C 1.471 178.046 176.600 -0.041 0.000 1.260 423 E CA 0.579 56.936 56.400 -0.072 0.000 1.344 423 E CB 0.003 29.640 29.700 -0.105 0.000 1.337 423 E HN 0.767 nan 8.360 nan 0.000 0.484 424 E N 2.721 122.917 120.200 -0.007 0.000 2.097 424 E HA -0.245 4.109 4.350 0.008 0.000 0.196 424 E C 1.850 178.512 176.600 0.104 0.000 1.000 424 E CA 1.223 57.648 56.400 0.042 0.000 0.804 424 E CB -0.438 29.287 29.700 0.042 0.000 0.740 424 E HN 0.196 nan 8.360 nan 0.000 0.454 425 R N -0.529 120.017 120.500 0.076 0.000 2.081 425 R HA 0.062 4.407 4.340 0.008 0.000 0.235 425 R C 2.639 179.046 176.300 0.178 0.000 1.131 425 R CA 1.346 57.512 56.100 0.110 0.000 0.960 425 R CB -0.449 29.884 30.300 0.054 0.000 0.856 425 R HN 0.446 nan 8.270 nan 0.000 0.436 426 L N 0.606 121.887 121.223 0.097 0.000 2.217 426 L HA -0.077 4.268 4.340 0.008 0.000 0.211 426 L C 2.355 179.302 176.870 0.128 0.000 1.107 426 L CA 0.644 55.538 54.840 0.091 0.000 0.783 426 L CB -0.267 41.787 42.059 -0.008 0.000 0.919 426 L HN 0.137 nan 8.230 nan 0.000 0.442 427 L N -1.756 119.528 121.223 0.103 0.000 2.072 427 L HA -0.187 4.158 4.340 0.008 0.000 0.205 427 L C 2.391 179.392 176.870 0.218 0.000 1.079 427 L CA 1.194 56.113 54.840 0.132 0.000 0.752 427 L CB -0.531 41.548 42.059 0.035 0.000 0.906 427 L HN 0.366 nan 8.230 nan 0.000 0.436 428 W N 0.903 122.238 121.300 0.059 0.000 2.338 428 W HA -0.226 4.439 4.660 0.007 0.000 0.304 428 W C 2.184 178.730 176.519 0.045 0.000 1.212 428 W CA 1.470 58.835 57.345 0.034 0.000 1.264 428 W CB -0.068 29.380 29.460 -0.019 0.000 1.142 428 W HN -0.024 nan 8.180 nan 0.000 0.512 429 L N -0.595 120.819 121.223 0.317 0.000 2.156 429 L HA -0.209 4.135 4.340 0.008 0.000 0.208 429 L C 2.350 179.268 176.870 0.081 0.000 1.095 429 L CA 1.130 56.090 54.840 0.200 0.000 0.770 429 L CB -0.953 41.300 42.059 0.324 0.000 0.914 429 L HN 0.092 nan 8.230 nan 0.000 0.439 430 Y N 0.961 121.275 120.300 0.022 0.000 2.109 430 Y HA -0.189 4.365 4.550 0.007 0.000 0.285 430 Y C 2.708 178.613 175.900 0.008 0.000 1.131 430 Y CA 1.531 59.663 58.100 0.053 0.000 1.121 430 Y CB -0.158 38.374 38.460 0.120 0.000 0.987 430 Y HN -0.065 nan 8.280 nan 0.000 0.495 431 R N -0.294 120.097 120.500 -0.183 0.000 2.119 431 R HA -0.068 4.277 4.340 0.008 0.000 0.222 431 R C 1.868 177.960 176.300 -0.347 0.000 1.088 431 R CA 1.217 57.141 56.100 -0.294 0.000 0.984 431 R CB -0.034 30.227 30.300 -0.064 0.000 0.884 431 R HN 0.350 nan 8.270 nan 0.000 0.447 432 E N -0.166 119.732 120.200 -0.502 0.000 2.250 432 E HA -0.012 4.343 4.350 0.008 0.000 0.192 432 E C 1.746 178.059 176.600 -0.477 0.000 0.986 432 E CA 0.776 56.789 56.400 -0.644 0.000 0.849 432 E CB 0.545 29.417 29.700 -1.380 0.000 0.797 432 E HN 0.123 nan 8.360 nan 0.000 0.482 433 V N 0.658 120.348 119.914 -0.373 0.000 3.001 433 V HA -0.008 4.117 4.120 0.008 0.000 0.228 433 V C 1.987 178.023 176.094 -0.097 0.000 1.204 433 V CA 0.278 62.474 62.300 -0.173 0.000 1.247 433 V CB -0.176 31.618 31.823 -0.048 0.000 1.093 433 V HN -0.038 nan 8.190 nan 0.000 0.504 434 E N 1.098 121.265 120.200 -0.055 0.000 2.007 434 E HA -0.224 4.131 4.350 0.008 0.000 0.194 434 E C 2.151 178.696 176.600 -0.091 0.000 0.999 434 E CA 1.670 58.066 56.400 -0.006 0.000 0.811 434 E CB -0.398 29.382 29.700 0.134 0.000 0.762 434 E HN 0.411 nan 8.360 nan 0.000 0.450 435 R N 0.851 121.199 120.500 -0.254 0.000 2.097 435 R HA -0.132 4.212 4.340 0.008 0.000 0.236 435 R C -0.503 175.689 176.300 -0.179 0.000 1.135 435 R CA 2.379 58.312 56.100 -0.279 0.000 0.934 435 R CB -1.108 28.852 30.300 -0.566 0.000 0.846 435 R HN 0.167 nan 8.270 nan 0.000 0.431 436 P HA -0.189 nan 4.420 nan 0.000 0.215 436 P C 1.530 178.761 177.300 -0.114 0.000 1.153 436 P CA 1.046 64.069 63.100 -0.127 0.000 0.853 436 P CB -0.199 31.429 31.700 -0.120 0.000 0.788 437 L N 1.291 122.451 121.223 -0.105 0.000 2.081 437 L HA -0.185 4.159 4.340 0.008 0.000 0.212 437 L C 2.617 179.414 176.870 -0.122 0.000 1.080 437 L CA 2.578 57.357 54.840 -0.101 0.000 0.754 437 L CB -1.549 40.477 42.059 -0.056 0.000 0.893 437 L HN 0.048 nan 8.230 nan 0.000 0.433 438 S N -0.586 115.058 115.700 -0.093 0.000 2.383 438 S HA -0.222 4.253 4.470 0.008 0.000 0.229 438 S C 2.126 176.643 174.600 -0.139 0.000 1.030 438 S CA 1.096 59.245 58.200 -0.084 0.000 1.002 438 S CB -1.098 62.074 63.200 -0.047 0.000 0.829 438 S HN 0.573 nan 8.310 nan 0.000 0.467 439 A N 1.742 124.466 122.820 -0.161 0.000 1.877 439 A HA 0.059 4.383 4.320 0.008 0.000 0.216 439 A C 2.476 179.860 177.584 -0.333 0.000 1.186 439 A CA 1.709 53.623 52.037 -0.207 0.000 0.620 439 A CB -1.286 17.642 19.000 -0.119 0.000 0.822 439 A HN 0.481 nan 8.150 nan 0.000 0.443 440 V N 0.404 120.062 119.914 -0.427 0.000 2.252 440 V HA -0.324 3.801 4.120 0.008 0.000 0.249 440 V C 2.601 178.433 176.094 -0.436 0.000 1.056 440 V CA 2.229 64.096 62.300 -0.720 0.000 1.022 440 V CB -0.982 30.538 31.823 -0.504 0.000 0.641 440 V HN 0.581 nan 8.190 nan 0.000 0.445 441 L N 0.089 121.152 121.223 -0.266 0.000 2.042 441 L HA -0.181 4.164 4.340 0.008 0.000 0.210 441 L C 2.754 179.578 176.870 -0.077 0.000 1.076 441 L CA 1.590 56.340 54.840 -0.149 0.000 0.749 441 L CB -0.921 41.106 42.059 -0.054 0.000 0.893 441 L HN 0.370 nan 8.230 nan 0.000 0.432 442 A N -0.718 122.014 122.820 -0.145 0.000 1.908 442 A HA -0.237 4.088 4.320 0.008 0.000 0.218 442 A C 2.169 179.663 177.584 -0.150 0.000 1.181 442 A CA 1.562 53.506 52.037 -0.156 0.000 0.627 442 A CB -0.776 18.069 19.000 -0.258 0.000 0.818 442 A HN 0.420 nan 8.150 nan 0.000 0.445 443 H N -0.784 118.219 119.070 -0.111 0.000 2.357 443 H HA -0.043 4.517 4.556 0.007 0.000 0.301 443 H C 2.193 177.519 175.328 -0.004 0.000 1.082 443 H CA 1.835 57.860 56.048 -0.038 0.000 1.342 443 H CB -0.372 29.390 29.762 0.001 0.000 1.389 443 H HN 0.510 nan 8.280 nan 0.000 0.511 444 M N 0.472 120.112 119.600 0.066 0.000 2.080 444 M HA -0.169 4.316 4.480 0.008 0.000 0.260 444 M C 2.242 178.628 176.300 0.143 0.000 1.068 444 M CA 1.615 56.952 55.300 0.062 0.000 1.109 444 M CB -0.212 32.344 32.600 -0.074 0.000 1.342 444 M HN 0.257 nan 8.290 nan 0.000 0.405 445 E N 0.317 120.625 120.200 0.181 0.000 2.058 445 E HA -0.185 4.169 4.350 0.008 0.000 0.194 445 E C 2.070 178.785 176.600 0.191 0.000 0.997 445 E CA 1.434 57.951 56.400 0.196 0.000 0.801 445 E CB -0.233 29.564 29.700 0.160 0.000 0.746 445 E HN 0.546 nan 8.360 nan 0.000 0.450 446 A N 0.842 123.743 122.820 0.135 0.000 2.066 446 A HA -0.088 4.237 4.320 0.008 0.000 0.218 446 A C 2.261 179.951 177.584 0.177 0.000 1.157 446 A CA 1.338 53.454 52.037 0.133 0.000 0.670 446 A CB -0.415 18.606 19.000 0.035 0.000 0.804 446 A HN 0.148 nan 8.150 nan 0.000 0.453 447 T N -0.566 114.051 114.554 0.105 0.000 2.770 447 T HA 0.363 4.718 4.350 0.008 0.000 0.263 447 T C 1.405 176.031 174.700 -0.122 0.000 1.039 447 T CA 1.230 63.343 62.100 0.022 0.000 1.142 447 T CB -0.691 68.186 68.868 0.014 0.000 0.868 447 T HN 1.487 nan 8.240 nan 0.000 0.435 448 G N 0.458 109.120 108.800 -0.231 0.000 2.698 448 G HA2 -0.084 3.880 3.960 0.008 0.000 0.233 448 G HA3 -0.084 3.880 3.960 0.008 0.000 0.233 448 G C -0.614 174.122 174.900 -0.274 0.000 1.352 448 G CA -0.331 44.457 45.100 -0.520 0.000 0.879 448 G HN 0.956 nan 8.290 nan 0.000 0.567 449 V N 0.127 119.897 119.914 -0.240 0.000 2.888 449 V HA 0.787 4.912 4.120 0.008 0.000 0.309 449 V C 0.504 176.532 176.094 -0.109 0.000 1.114 449 V CA -0.173 62.058 62.300 -0.115 0.000 0.940 449 V CB 1.777 33.611 31.823 0.019 0.000 1.021 449 V HN 1.203 nan 8.190 nan 0.000 0.426 450 R N 3.685 124.121 120.500 -0.105 0.000 2.490 450 R HA 0.633 4.977 4.340 0.008 0.000 0.278 450 R C -1.519 174.698 176.300 -0.138 0.000 1.069 450 R CA -0.364 55.674 56.100 -0.103 0.000 1.080 450 R CB 1.301 31.542 30.300 -0.100 0.000 1.030 450 R HN 0.642 nan 8.270 nan 0.000 0.491 451 L N 2.269 123.407 121.223 -0.142 0.000 2.422 451 L HA 0.281 4.625 4.340 0.008 0.000 0.264 451 L C -1.228 175.582 176.870 -0.099 0.000 0.984 451 L CA -0.451 54.260 54.840 -0.214 0.000 0.819 451 L CB 2.064 43.957 42.059 -0.277 0.000 1.330 451 L HN 0.601 nan 8.230 nan 0.000 0.410 452 D N 3.111 123.469 120.400 -0.069 0.000 2.483 452 D HA 0.134 4.779 4.640 0.008 0.000 0.220 452 D C 1.053 177.405 176.300 0.086 0.000 1.173 452 D CA 0.111 54.121 54.000 0.017 0.000 0.964 452 D CB 0.850 41.654 40.800 0.007 0.000 1.046 452 D HN 0.405 nan 8.370 nan 0.000 0.517 453 V N 3.737 123.678 119.914 0.045 0.000 2.233 453 V HA -0.298 3.827 4.120 0.008 0.000 0.247 453 V C 2.559 178.691 176.094 0.063 0.000 1.050 453 V CA 2.254 64.581 62.300 0.046 0.000 1.010 453 V CB -0.738 31.104 31.823 0.032 0.000 0.637 453 V HN 0.638 nan 8.190 nan 0.000 0.444 454 A N -1.175 121.687 122.820 0.070 0.000 1.978 454 A HA -0.293 4.032 4.320 0.008 0.000 0.220 454 A C 2.150 179.794 177.584 0.101 0.000 1.170 454 A CA 2.247 54.326 52.037 0.069 0.000 0.636 454 A CB -0.778 18.261 19.000 0.064 0.000 0.810 454 A HN 0.705 nan 8.150 nan 0.000 0.448 455 Y N 0.291 120.591 120.300 -0.000 0.000 2.200 455 Y HA -0.085 4.469 4.550 0.007 0.000 0.290 455 Y C 1.860 177.764 175.900 0.007 0.000 1.137 455 Y CA 1.766 59.868 58.100 0.004 0.000 1.163 455 Y CB -0.276 38.187 38.460 0.005 0.000 0.988 455 Y HN 0.203 nan 8.280 nan 0.000 0.518 456 L N -0.518 120.683 121.223 -0.035 0.000 2.217 456 L HA -0.120 4.225 4.340 0.008 0.000 0.211 456 L C 2.493 179.301 176.870 -0.103 0.000 1.107 456 L CA 0.931 55.693 54.840 -0.131 0.000 0.783 456 L CB -0.373 41.686 42.059 -0.001 0.000 0.919 456 L HN 0.049 nan 8.230 nan 0.000 0.442 457 R N 0.337 120.808 120.500 -0.048 0.000 2.081 457 R HA -0.087 4.258 4.340 0.008 0.000 0.235 457 R C 2.276 178.544 176.300 -0.054 0.000 1.131 457 R CA 1.556 57.635 56.100 -0.035 0.000 0.960 457 R CB -0.482 29.814 30.300 -0.008 0.000 0.856 457 R HN 0.325 nan 8.270 nan 0.000 0.436 458 A N -0.138 122.640 122.820 -0.071 0.000 2.016 458 A HA 0.007 4.331 4.320 0.008 0.000 0.217 458 A C 2.038 179.556 177.584 -0.111 0.000 1.162 458 A CA 0.556 52.551 52.037 -0.070 0.000 0.662 458 A CB -0.387 18.586 19.000 -0.045 0.000 0.812 458 A HN 0.330 nan 8.150 nan 0.000 0.450 459 L N -0.787 120.322 121.223 -0.190 0.000 2.093 459 L HA -0.114 4.230 4.340 0.008 0.000 0.208 459 L C 2.695 179.493 176.870 -0.120 0.000 1.085 459 L CA 1.657 56.372 54.840 -0.208 0.000 0.755 459 L CB -0.287 41.572 42.059 -0.333 0.000 0.904 459 L HN 0.470 nan 8.230 nan 0.000 0.435 460 S N 0.060 115.702 115.700 -0.096 0.000 2.353 460 S HA -0.211 4.263 4.470 0.008 0.000 0.222 460 S C 1.954 176.522 174.600 -0.052 0.000 1.035 460 S CA 1.473 59.636 58.200 -0.063 0.000 1.025 460 S CB -0.282 62.890 63.200 -0.047 0.000 0.902 460 S HN 0.421 nan 8.310 nan 0.000 0.440 461 L N 1.090 122.285 121.223 -0.048 0.000 2.079 461 L HA -0.140 4.205 4.340 0.008 0.000 0.210 461 L C 2.705 179.553 176.870 -0.036 0.000 1.081 461 L CA 1.884 56.703 54.840 -0.035 0.000 0.752 461 L CB -0.618 41.424 42.059 -0.029 0.000 0.896 461 L HN 0.518 nan 8.230 nan 0.000 0.433 462 E N 0.615 120.787 120.200 -0.046 0.000 2.015 462 E HA -0.194 4.161 4.350 0.008 0.000 0.191 462 E C 2.211 178.786 176.600 -0.041 0.000 0.991 462 E CA 1.935 58.310 56.400 -0.042 0.000 0.802 462 E CB 0.010 29.680 29.700 -0.051 0.000 0.759 462 E HN 0.327 nan 8.360 nan 0.000 0.447 463 V N -0.433 119.450 119.914 -0.052 0.000 2.469 463 V HA -0.176 3.949 4.120 0.008 0.000 0.251 463 V C 2.399 178.462 176.094 -0.052 0.000 1.064 463 V CA 1.723 63.992 62.300 -0.053 0.000 1.066 463 V CB -1.309 30.478 31.823 -0.060 0.000 0.667 463 V HN 0.383 nan 8.190 nan 0.000 0.461 464 A N 0.680 123.473 122.820 -0.046 0.000 1.883 464 A HA -0.263 4.062 4.320 0.008 0.000 0.217 464 A C 2.172 179.739 177.584 -0.028 0.000 1.186 464 A CA 2.194 54.208 52.037 -0.038 0.000 0.624 464 A CB -0.728 18.255 19.000 -0.029 0.000 0.822 464 A HN 0.673 nan 8.150 nan 0.000 0.444 465 E N -0.774 119.412 120.200 -0.024 0.000 2.110 465 E HA -0.177 4.178 4.350 0.008 0.000 0.193 465 E C 2.010 178.600 176.600 -0.017 0.000 0.988 465 E CA 1.042 57.432 56.400 -0.016 0.000 0.804 465 E CB -0.072 29.619 29.700 -0.014 0.000 0.745 465 E HN 0.525 nan 8.360 nan 0.000 0.458 466 E N 0.531 120.716 120.200 -0.024 0.000 2.107 466 E HA -0.096 4.259 4.350 0.008 0.000 0.191 466 E C 2.092 178.680 176.600 -0.021 0.000 0.982 466 E CA 0.493 56.880 56.400 -0.022 0.000 0.809 466 E CB 0.012 29.696 29.700 -0.027 0.000 0.756 466 E HN 0.334 nan 8.360 nan 0.000 0.459 467 I N 0.896 121.446 120.570 -0.034 0.000 2.286 467 I HA -0.274 3.901 4.170 0.008 0.000 0.248 467 I C 2.452 178.583 176.117 0.023 0.000 1.115 467 I CA 0.958 62.241 61.300 -0.028 0.000 1.392 467 I CB -0.316 37.629 38.000 -0.092 0.000 1.065 467 I HN 0.002 nan 8.210 nan 0.000 0.418 468 A N 1.205 124.026 122.820 0.002 0.000 1.851 468 A HA -0.234 4.091 4.320 0.008 0.000 0.216 468 A C 2.375 179.945 177.584 -0.023 0.000 1.195 468 A CA 1.682 53.719 52.037 -0.000 0.000 0.622 468 A CB -0.710 18.291 19.000 0.003 0.000 0.831 468 A HN 0.310 nan 8.150 nan 0.000 0.444 469 R N -0.600 119.889 120.500 -0.018 0.000 2.139 469 R HA -0.118 4.227 4.340 0.008 0.000 0.243 469 R C 2.048 178.318 176.300 -0.050 0.000 1.145 469 R CA 1.447 57.531 56.100 -0.026 0.000 0.976 469 R CB -0.590 29.701 30.300 -0.016 0.000 0.866 469 R HN 0.532 nan 8.270 nan 0.000 0.449 470 L N 0.761 121.961 121.223 -0.038 0.000 2.007 470 L HA -0.178 4.166 4.340 0.008 0.000 0.205 470 L C 2.724 179.474 176.870 -0.201 0.000 1.073 470 L CA 1.571 56.380 54.840 -0.051 0.000 0.744 470 L CB -0.600 41.494 42.059 0.058 0.000 0.898 470 L HN 0.288 nan 8.230 nan 0.000 0.435 471 E N 0.823 120.862 120.200 -0.267 0.000 2.085 471 E HA -0.253 4.101 4.350 0.008 0.000 0.194 471 E C 2.142 178.195 176.600 -0.912 0.000 0.994 471 E CA 1.253 57.178 56.400 -0.791 0.000 0.801 471 E CB -0.405 28.885 29.700 -0.684 0.000 0.743 471 E HN 0.405 nan 8.360 nan 0.000 0.453 472 A N 1.791 124.384 122.820 -0.377 0.000 1.892 472 A HA -0.253 4.072 4.320 0.008 0.000 0.218 472 A C 2.224 179.736 177.584 -0.119 0.000 1.188 472 A CA 1.862 53.815 52.037 -0.139 0.000 0.631 472 A CB -0.503 18.476 19.000 -0.034 0.000 0.822 472 A HN 0.211 nan 8.150 nan 0.000 0.447 473 E N -0.339 119.779 120.200 -0.138 0.000 2.107 473 E HA -0.070 4.284 4.350 0.008 0.000 0.191 473 E C 2.252 178.794 176.600 -0.095 0.000 0.982 473 E CA 1.100 57.454 56.400 -0.077 0.000 0.809 473 E CB -0.386 29.282 29.700 -0.054 0.000 0.756 473 E HN 0.373 nan 8.360 nan 0.000 0.459 474 V N 1.182 120.956 119.914 -0.234 0.000 2.255 474 V HA -0.265 3.860 4.120 0.008 0.000 0.247 474 V C 2.194 178.260 176.094 -0.046 0.000 1.051 474 V CA 1.725 63.899 62.300 -0.211 0.000 1.018 474 V CB -0.699 30.868 31.823 -0.426 0.000 0.641 474 V HN 0.135 nan 8.190 nan 0.000 0.445 475 F N 0.530 120.416 119.950 -0.107 0.000 2.154 475 F HA -0.176 4.356 4.527 0.008 0.000 0.301 475 F C 2.544 178.325 175.800 -0.032 0.000 1.087 475 F CA 1.778 59.730 58.000 -0.080 0.000 1.274 475 F CB -1.046 37.889 39.000 -0.108 0.000 1.009 475 F HN 0.082 nan 8.300 nan 0.000 0.485 476 R N 0.286 120.884 120.500 0.163 0.000 2.081 476 R HA -0.134 4.211 4.340 0.008 0.000 0.235 476 R C 2.096 178.453 176.300 0.096 0.000 1.131 476 R CA 1.074 57.239 56.100 0.109 0.000 0.960 476 R CB -0.310 30.033 30.300 0.071 0.000 0.856 476 R HN 0.184 nan 8.270 nan 0.000 0.436 477 L N 0.387 121.664 121.223 0.089 0.000 2.201 477 L HA -0.031 4.313 4.340 0.008 0.000 0.212 477 L C 2.279 179.208 176.870 0.099 0.000 1.105 477 L CA 1.639 56.547 54.840 0.113 0.000 0.775 477 L CB -1.031 41.107 42.059 0.133 0.000 0.913 477 L HN 0.353 nan 8.230 nan 0.000 0.440 478 A N -1.050 121.812 122.820 0.069 0.000 2.169 478 A HA 0.285 4.610 4.320 0.008 0.000 0.212 478 A C 1.802 179.424 177.584 0.063 0.000 1.153 478 A CA 0.872 52.914 52.037 0.008 0.000 0.756 478 A CB -0.247 18.731 19.000 -0.037 0.000 0.813 478 A HN 0.488 nan 8.150 nan 0.000 0.471 479 G N -0.812 108.047 108.800 0.098 0.000 2.148 479 G HA2 -0.184 3.781 3.960 0.008 0.000 0.254 479 G HA3 -0.184 3.781 3.960 0.008 0.000 0.254 479 G C 0.086 175.110 174.900 0.208 0.000 0.981 479 G CA 1.134 46.316 45.100 0.136 0.000 0.670 479 G HN 2.269 nan 8.290 nan 0.000 0.528 480 H N -2.871 116.258 119.070 0.098 0.000 2.988 480 H HA 0.565 5.125 4.556 0.008 0.000 0.284 480 H C -3.289 172.073 175.328 0.057 0.000 1.284 480 H CA -0.889 55.187 56.048 0.047 0.000 1.431 480 H CB 0.356 30.123 29.762 0.008 0.000 1.954 480 H HN 0.160 nan 8.280 nan 0.000 0.509 481 P HA 0.363 nan 4.420 nan 0.000 0.274 481 P C -0.971 176.148 177.300 -0.301 0.000 1.237 481 P CA -0.066 62.467 63.100 -0.944 0.000 0.793 481 P CB 1.073 32.198 31.700 -0.958 0.000 0.977 482 F N -2.173 117.374 119.950 -0.672 0.000 2.807 482 F HA 0.387 4.919 4.527 0.007 0.000 0.316 482 F C -1.045 174.737 175.800 -0.031 0.000 1.162 482 F CA -1.428 56.465 58.000 -0.178 0.000 0.910 482 F CB 0.174 39.155 39.000 -0.031 0.000 1.314 482 F HN 0.079 nan 8.300 nan 0.000 0.454 483 N N 2.235 120.977 118.700 0.071 0.000 2.421 483 N HA 0.126 4.871 4.740 0.008 0.000 0.260 483 N C 0.623 176.107 175.510 -0.044 0.000 1.173 483 N CA 0.077 53.133 53.050 0.009 0.000 0.960 483 N CB 0.619 39.155 38.487 0.082 0.000 1.273 483 N HN 0.902 nan 8.380 nan 0.000 0.497 484 L N 2.896 123.937 121.223 -0.303 0.000 2.353 484 L HA -0.108 4.237 4.340 0.008 0.000 0.220 484 L C 1.127 177.970 176.870 -0.045 0.000 1.133 484 L CA 0.701 55.311 54.840 -0.383 0.000 0.798 484 L CB -0.047 41.459 42.059 -0.922 0.000 0.922 484 L HN 0.505 nan 8.230 nan 0.000 0.445 485 N N -0.942 117.803 118.700 0.076 0.000 2.463 485 N HA -0.069 4.676 4.740 0.008 0.000 0.181 485 N C 0.717 176.298 175.510 0.117 0.000 1.078 485 N CA 0.276 53.416 53.050 0.150 0.000 0.902 485 N CB 0.205 38.773 38.487 0.135 0.000 0.970 485 N HN 0.038 nan 8.380 nan 0.000 0.451 486 S N 1.095 116.867 115.700 0.120 0.000 2.400 486 S HA 0.154 4.628 4.470 0.008 0.000 0.295 486 S C 1.413 176.095 174.600 0.137 0.000 1.113 486 S CA -0.763 57.512 58.200 0.124 0.000 1.064 486 S CB 0.754 64.035 63.200 0.135 0.000 0.990 486 S HN 0.326 nan 8.310 nan 0.000 0.502 487 R N 3.963 124.529 120.500 0.111 0.000 2.105 487 R HA -0.095 4.249 4.340 0.008 0.000 0.239 487 R C 0.816 177.180 176.300 0.107 0.000 1.135 487 R CA 1.977 58.143 56.100 0.109 0.000 0.967 487 R CB -0.497 29.859 30.300 0.094 0.000 0.861 487 R HN 0.444 nan 8.270 nan 0.000 0.442 488 D N 0.883 121.340 120.400 0.094 0.000 2.117 488 D HA -0.155 4.490 4.640 0.008 0.000 0.197 488 D C 2.085 178.427 176.300 0.071 0.000 0.987 488 D CA 1.416 55.464 54.000 0.081 0.000 0.829 488 D CB -0.257 40.582 40.800 0.065 0.000 0.961 488 D HN 0.488 nan 8.370 nan 0.000 0.460 489 Q N -0.159 119.697 119.800 0.094 0.000 2.119 489 Q HA -0.096 4.248 4.340 0.008 0.000 0.201 489 Q C 2.220 178.203 176.000 -0.027 0.000 0.972 489 Q CA 0.479 56.326 55.803 0.074 0.000 0.847 489 Q CB -0.059 28.812 28.738 0.222 0.000 0.903 489 Q HN 0.160 nan 8.270 nan 0.000 0.433 490 L N 1.117 122.398 121.223 0.096 0.000 2.093 490 L HA -0.160 4.185 4.340 0.008 0.000 0.208 490 L C 2.117 178.922 176.870 -0.109 0.000 1.085 490 L CA 1.754 56.610 54.840 0.028 0.000 0.755 490 L CB -0.381 41.759 42.059 0.136 0.000 0.904 490 L HN 0.183 nan 8.230 nan 0.000 0.435 491 E N -0.335 119.869 120.200 0.007 0.000 2.023 491 E HA -0.303 4.051 4.350 0.008 0.000 0.196 491 E C 2.305 178.922 176.600 0.028 0.000 1.003 491 E CA 1.700 58.165 56.400 0.108 0.000 0.809 491 E CB -0.066 29.766 29.700 0.220 0.000 0.755 491 E HN 0.488 nan 8.360 nan 0.000 0.449 492 R N -0.111 120.385 120.500 -0.006 0.000 2.091 492 R HA -0.154 4.190 4.340 0.008 0.000 0.238 492 R C 2.476 178.696 176.300 -0.133 0.000 1.136 492 R CA 1.543 57.622 56.100 -0.035 0.000 0.959 492 R CB -0.404 29.869 30.300 -0.045 0.000 0.856 492 R HN 0.123 nan 8.270 nan 0.000 0.437 493 V N 1.348 121.099 119.914 -0.270 0.000 2.295 493 V HA -0.231 3.894 4.120 0.008 0.000 0.246 493 V C 2.241 178.140 176.094 -0.325 0.000 1.049 493 V CA 1.778 63.868 62.300 -0.349 0.000 1.024 493 V CB -0.450 30.971 31.823 -0.669 0.000 0.648 493 V HN 0.260 nan 8.190 nan 0.000 0.447 494 L N -1.551 119.399 121.223 -0.456 0.000 2.044 494 L HA -0.048 4.296 4.340 0.008 0.000 0.205 494 L C 2.375 178.907 176.870 -0.562 0.000 1.075 494 L CA 1.484 55.949 54.840 -0.625 0.000 0.747 494 L CB -0.567 40.892 42.059 -0.999 0.000 0.903 494 L HN 0.253 nan 8.230 nan 0.000 0.435 495 F N -0.461 119.461 119.950 -0.045 0.000 2.473 495 F HA -0.021 4.510 4.527 0.007 0.000 0.294 495 F C 2.120 177.906 175.800 -0.024 0.000 1.103 495 F CA 0.377 58.362 58.000 -0.025 0.000 1.442 495 F CB -0.403 38.587 39.000 -0.017 0.000 1.097 495 F HN 0.044 nan 8.300 nan 0.000 0.547 496 D N -0.035 120.415 120.400 0.083 0.000 2.468 496 D HA -0.029 4.616 4.640 0.008 0.000 0.243 496 D C 1.999 178.302 176.300 0.005 0.000 0.994 496 D CA 0.773 54.800 54.000 0.044 0.000 0.932 496 D CB -0.415 40.401 40.800 0.026 0.000 1.078 496 D HN 0.223 nan 8.370 nan 0.000 0.473 497 E N 0.525 120.705 120.200 -0.033 0.000 2.051 497 E HA -0.028 4.326 4.350 0.008 0.000 0.192 497 E C 0.783 177.371 176.600 -0.020 0.000 0.991 497 E CA 0.580 56.961 56.400 -0.031 0.000 0.799 497 E CB 0.203 29.877 29.700 -0.043 0.000 0.748 497 E HN 0.165 nan 8.360 nan 0.000 0.449 498 L N -0.748 120.442 121.223 -0.055 0.000 2.431 498 L HA 0.329 4.673 4.340 0.008 0.000 0.260 498 L C 1.118 177.993 176.870 0.009 0.000 1.098 498 L CA -0.317 54.508 54.840 -0.025 0.000 0.800 498 L CB 0.979 42.972 42.059 -0.109 0.000 1.210 498 L HN 0.066 nan 8.230 nan 0.000 0.465 499 G N 1.003 109.832 108.800 0.049 0.000 3.805 499 G HA2 0.314 4.279 3.960 0.008 0.000 0.290 499 G HA3 0.314 4.279 3.960 0.008 0.000 0.290 499 G C 0.186 175.146 174.900 0.100 0.000 1.077 499 G CA -0.377 44.765 45.100 0.070 0.000 0.852 499 G HN 0.251 nan 8.290 nan 0.000 0.531 500 L N 2.360 123.639 121.223 0.093 0.000 2.490 500 L HA 0.186 4.530 4.340 0.008 0.000 0.274 500 L C -1.480 175.551 176.870 0.268 0.000 1.201 500 L CA -1.296 53.626 54.840 0.136 0.000 0.869 500 L CB 0.476 42.566 42.059 0.052 0.000 1.123 500 L HN 0.091 nan 8.230 nan 0.000 0.484 501 P HA 0.097 nan 4.420 nan 0.000 0.271 501 P C -0.723 176.680 177.300 0.173 0.000 1.216 501 P CA -0.399 62.795 63.100 0.156 0.000 0.771 501 P CB 1.069 32.824 31.700 0.090 0.000 0.864 502 A N 3.690 126.478 122.820 -0.053 0.000 2.388 502 A HA 0.304 4.629 4.320 0.008 0.000 0.257 502 A C 1.247 178.736 177.584 -0.158 0.000 1.095 502 A CA -0.393 51.399 52.037 -0.409 0.000 0.791 502 A CB -0.253 18.353 19.000 -0.657 0.000 1.029 502 A HN 0.580 nan 8.150 nan 0.000 0.489 503 I N 1.004 121.504 120.570 -0.116 0.000 3.445 503 I HA 0.259 4.434 4.170 0.008 0.000 0.288 503 I C 1.253 177.353 176.117 -0.030 0.000 1.198 503 I CA 0.745 62.031 61.300 -0.022 0.000 1.417 503 I CB 0.296 38.325 38.000 0.048 0.000 1.205 503 I HN 0.692 nan 8.210 nan 0.000 0.448 504 G N 0.641 109.406 108.800 -0.058 0.000 2.708 504 G HA2 0.534 4.499 3.960 0.008 0.000 0.289 504 G HA3 0.534 4.499 3.960 0.008 0.000 0.289 504 G C -1.421 173.438 174.900 -0.069 0.000 1.416 504 G CA -0.411 44.668 45.100 -0.034 0.000 0.829 504 G HN -0.277 nan 8.290 nan 0.000 0.480 505 K N 0.063 120.438 120.400 -0.040 0.000 2.295 505 K HA 0.652 4.977 4.320 0.008 0.000 0.239 505 K C 0.176 176.771 176.600 -0.009 0.000 0.991 505 K CA -0.569 55.694 56.287 -0.041 0.000 0.845 505 K CB 1.749 34.225 32.500 -0.039 0.000 1.197 505 K HN 0.795 nan 8.250 nan 0.000 0.441 506 T N -1.841 112.712 114.554 -0.002 0.000 2.913 506 T HA 0.201 4.555 4.350 0.008 0.000 0.287 506 T C 1.089 175.795 174.700 0.010 0.000 1.008 506 T CA -0.447 61.660 62.100 0.013 0.000 1.067 506 T CB 1.217 70.097 68.868 0.021 0.000 0.996 506 T HN 0.350 nan 8.240 nan 0.000 0.513 507 E N 1.402 121.611 120.200 0.015 0.000 2.012 507 E HA -0.114 4.240 4.350 0.008 0.000 0.197 507 E C 1.894 178.500 176.600 0.010 0.000 1.007 507 E CA 1.466 57.874 56.400 0.013 0.000 0.816 507 E CB -0.123 29.586 29.700 0.016 0.000 0.762 507 E HN 0.613 nan 8.360 nan 0.000 0.451 508 K N -0.461 119.947 120.400 0.012 0.000 2.116 508 K HA -0.029 4.296 4.320 0.008 0.000 0.203 508 K C 1.968 178.574 176.600 0.009 0.000 1.052 508 K CA 1.537 57.830 56.287 0.010 0.000 0.952 508 K CB -0.171 32.337 32.500 0.012 0.000 0.729 508 K HN 0.232 nan 8.250 nan 0.000 0.446 509 T N -3.918 110.642 114.554 0.010 0.000 3.054 509 T HA 0.253 4.607 4.350 0.008 0.000 0.255 509 T C 1.273 175.976 174.700 0.004 0.000 1.035 509 T CA 0.149 62.254 62.100 0.009 0.000 0.941 509 T CB 0.425 69.301 68.868 0.013 0.000 1.026 509 T HN 0.217 nan 8.240 nan 0.000 0.533 510 G N 2.093 110.893 108.800 0.001 0.000 2.233 510 G HA2 -0.306 3.658 3.960 0.008 0.000 0.270 510 G HA3 -0.306 3.658 3.960 0.008 0.000 0.270 510 G C 0.056 174.947 174.900 -0.015 0.000 1.011 510 G CA 0.569 45.664 45.100 -0.008 0.000 0.762 510 G HN 0.664 nan 8.290 nan 0.000 0.511 511 K N -0.569 119.828 120.400 -0.005 0.000 2.149 511 K HA 0.386 4.711 4.320 0.008 0.000 0.245 511 K C 0.864 177.445 176.600 -0.032 0.000 1.024 511 K CA -0.571 55.712 56.287 -0.006 0.000 0.899 511 K CB 0.555 33.069 32.500 0.023 0.000 1.038 511 K HN 0.232 nan 8.250 nan 0.000 0.496 512 R N 1.031 121.495 120.500 -0.060 0.000 2.288 512 R HA 0.037 4.382 4.340 0.008 0.000 0.330 512 R C 0.003 176.281 176.300 -0.037 0.000 1.069 512 R CA -0.132 55.858 56.100 -0.183 0.000 0.941 512 R CB 0.860 30.886 30.300 -0.456 0.000 0.998 512 R HN 0.415 nan 8.270 nan 0.000 0.452 513 S N 1.567 117.253 115.700 -0.024 0.000 2.552 513 S HA -0.027 4.447 4.470 0.008 0.000 0.289 513 S C 1.020 175.737 174.600 0.196 0.000 1.304 513 S CA -0.215 58.030 58.200 0.075 0.000 1.063 513 S CB 0.452 63.680 63.200 0.048 0.000 0.848 513 S HN 0.702 nan 8.310 nan 0.000 0.499 514 T N 1.718 116.393 114.554 0.202 0.000 3.269 514 T HA 0.343 4.698 4.350 0.008 0.000 0.269 514 T C 0.351 175.132 174.700 0.135 0.000 0.993 514 T CA -0.619 61.607 62.100 0.211 0.000 0.909 514 T CB -0.060 68.904 68.868 0.161 0.000 1.115 514 T HN 0.339 nan 8.240 nan 0.000 0.543 515 S N 0.994 116.764 115.700 0.118 0.000 2.593 515 S HA 0.552 5.026 4.470 0.008 0.000 0.269 515 S C 1.877 176.525 174.600 0.081 0.000 1.334 515 S CA -0.155 58.097 58.200 0.088 0.000 1.015 515 S CB 0.687 63.930 63.200 0.072 0.000 0.912 515 S HN 0.640 nan 8.310 nan 0.000 0.541 516 A N 2.244 125.105 122.820 0.067 0.000 1.903 516 A HA -0.158 4.166 4.320 0.008 0.000 0.219 516 A C 2.292 179.910 177.584 0.056 0.000 1.191 516 A CA 2.199 54.271 52.037 0.059 0.000 0.638 516 A CB -1.347 17.683 19.000 0.050 0.000 0.823 516 A HN 0.954 nan 8.150 nan 0.000 0.451 517 A N -0.921 121.930 122.820 0.053 0.000 1.902 517 A HA -0.002 4.323 4.320 0.008 0.000 0.217 517 A C 2.265 179.884 177.584 0.058 0.000 1.181 517 A CA 1.843 53.908 52.037 0.046 0.000 0.623 517 A CB -0.948 18.075 19.000 0.039 0.000 0.818 517 A HN 0.435 nan 8.150 nan 0.000 0.443 518 V N 0.287 120.246 119.914 0.076 0.000 2.343 518 V HA -0.243 3.881 4.120 0.008 0.000 0.247 518 V C 2.563 178.720 176.094 0.105 0.000 1.051 518 V CA 1.934 64.295 62.300 0.101 0.000 1.036 518 V CB -0.710 31.196 31.823 0.139 0.000 0.654 518 V HN 0.578 nan 8.190 nan 0.000 0.451 519 L N -0.643 120.635 121.223 0.092 0.000 2.083 519 L HA -0.133 4.211 4.340 0.008 0.000 0.209 519 L C 2.687 179.592 176.870 0.059 0.000 1.083 519 L CA 1.314 56.197 54.840 0.072 0.000 0.752 519 L CB -0.731 41.363 42.059 0.059 0.000 0.899 519 L HN 0.320 nan 8.230 nan 0.000 0.433 520 E N 0.598 120.830 120.200 0.054 0.000 2.110 520 E HA -0.174 4.181 4.350 0.008 0.000 0.193 520 E C 2.272 178.899 176.600 0.044 0.000 0.988 520 E CA 1.374 57.799 56.400 0.043 0.000 0.804 520 E CB -0.095 29.627 29.700 0.035 0.000 0.745 520 E HN 0.452 nan 8.360 nan 0.000 0.458 521 A N 0.215 123.066 122.820 0.052 0.000 2.121 521 A HA -0.090 4.235 4.320 0.008 0.000 0.218 521 A C 1.760 179.382 177.584 0.063 0.000 1.154 521 A CA 0.762 52.831 52.037 0.054 0.000 0.679 521 A CB -0.004 19.033 19.000 0.062 0.000 0.795 521 A HN 0.105 nan 8.150 nan 0.000 0.458 522 L N -1.553 119.713 121.223 0.070 0.000 2.808 522 L HA 0.211 4.556 4.340 0.008 0.000 0.246 522 L C 2.598 179.506 176.870 0.063 0.000 1.153 522 L CA 0.873 55.758 54.840 0.075 0.000 0.956 522 L CB -0.698 41.415 42.059 0.091 0.000 1.270 522 L HN 0.426 nan 8.230 nan 0.000 0.528 523 R N 0.178 120.709 120.500 0.052 0.000 2.103 523 R HA -0.156 4.188 4.340 0.008 0.000 0.242 523 R C 1.793 178.124 176.300 0.050 0.000 1.142 523 R CA 2.185 58.314 56.100 0.047 0.000 0.960 523 R CB -1.153 29.169 30.300 0.038 0.000 0.858 523 R HN 0.565 nan 8.270 nan 0.000 0.439 524 E N -0.410 119.818 120.200 0.046 0.000 2.478 524 E HA 0.252 4.607 4.350 0.008 0.000 0.194 524 E C 2.170 178.797 176.600 0.046 0.000 1.045 524 E CA 0.456 56.879 56.400 0.039 0.000 0.868 524 E CB 0.310 30.027 29.700 0.028 0.000 0.885 524 E HN 0.642 nan 8.360 nan 0.000 0.505 525 A N 0.899 123.760 122.820 0.068 0.000 2.014 525 A HA -0.077 4.247 4.320 0.008 0.000 0.218 525 A C 0.814 178.473 177.584 0.124 0.000 1.163 525 A CA 0.988 53.074 52.037 0.082 0.000 0.652 525 A CB 0.109 19.166 19.000 0.094 0.000 0.808 525 A HN 0.234 nan 8.150 nan 0.000 0.449 526 H N -2.026 117.047 119.070 0.005 0.000 3.112 526 H HA 0.208 4.768 4.556 0.007 0.000 0.347 526 H C -2.705 172.621 175.328 -0.004 0.000 1.188 526 H CA -0.803 55.243 56.048 -0.003 0.000 1.240 526 H CB 1.812 31.567 29.762 -0.013 0.000 1.920 526 H HN -0.066 nan 8.280 nan 0.000 0.535 527 P HA -0.054 nan 4.420 nan 0.000 0.228 527 P C 1.503 178.927 177.300 0.207 0.000 1.151 527 P CA 0.609 63.806 63.100 0.162 0.000 0.770 527 P CB 0.696 32.430 31.700 0.056 0.000 0.786 528 I N -0.475 120.299 120.570 0.340 0.000 2.439 528 I HA -0.150 4.025 4.170 0.008 0.000 0.251 528 I C 2.078 178.188 176.117 -0.011 0.000 1.139 528 I CA 0.668 61.992 61.300 0.041 0.000 1.438 528 I CB -0.009 37.865 38.000 -0.210 0.000 1.085 528 I HN -0.232 nan 8.210 nan 0.000 0.427 529 V N 1.844 121.763 119.914 0.008 0.000 2.231 529 V HA -0.339 3.785 4.120 0.008 0.000 0.248 529 V C 3.029 179.134 176.094 0.019 0.000 1.054 529 V CA 2.681 64.983 62.300 0.002 0.000 1.015 529 V CB -1.668 30.172 31.823 0.027 0.000 0.638 529 V HN 0.661 nan 8.190 nan 0.000 0.444 530 E N 0.390 120.609 120.200 0.032 0.000 2.049 530 E HA -0.330 4.024 4.350 0.008 0.000 0.198 530 E C 2.106 178.720 176.600 0.024 0.000 1.007 530 E CA 1.844 58.262 56.400 0.030 0.000 0.809 530 E CB -0.693 29.026 29.700 0.030 0.000 0.749 530 E HN 0.567 nan 8.360 nan 0.000 0.450 531 K N -0.055 120.355 120.400 0.016 0.000 2.059 531 K HA -0.116 4.208 4.320 0.008 0.000 0.212 531 K C 2.295 178.904 176.600 0.015 0.000 1.050 531 K CA 1.607 57.897 56.287 0.004 0.000 0.927 531 K CB -0.636 31.851 32.500 -0.023 0.000 0.714 531 K HN 0.562 nan 8.250 nan 0.000 0.447 532 I N 0.931 121.501 120.570 -0.001 0.000 2.286 532 I HA -0.262 3.912 4.170 0.008 0.000 0.248 532 I C 2.373 178.541 176.117 0.086 0.000 1.115 532 I CA 0.872 62.182 61.300 0.018 0.000 1.392 532 I CB -0.275 37.717 38.000 -0.015 0.000 1.065 532 I HN 0.062 nan 8.210 nan 0.000 0.418 533 L N 0.050 121.308 121.223 0.058 0.000 2.079 533 L HA -0.263 4.081 4.340 0.008 0.000 0.210 533 L C 2.610 179.515 176.870 0.058 0.000 1.081 533 L CA 1.578 56.453 54.840 0.058 0.000 0.752 533 L CB -0.471 41.613 42.059 0.043 0.000 0.896 533 L HN 0.337 nan 8.230 nan 0.000 0.433 534 Q N -1.559 118.274 119.800 0.055 0.000 2.123 534 Q HA -0.222 4.123 4.340 0.008 0.000 0.199 534 Q C 2.037 178.063 176.000 0.043 0.000 0.966 534 Q CA 1.421 57.247 55.803 0.038 0.000 0.845 534 Q CB -0.163 28.591 28.738 0.028 0.000 0.907 534 Q HN 0.463 nan 8.270 nan 0.000 0.439 535 Y N 1.282 121.553 120.300 -0.049 0.000 2.181 535 Y HA -0.227 4.327 4.550 0.007 0.000 0.288 535 Y C 2.138 178.013 175.900 -0.041 0.000 1.146 535 Y CA 1.367 59.427 58.100 -0.066 0.000 1.164 535 Y CB 0.166 38.564 38.460 -0.104 0.000 0.982 535 Y HN -0.081 nan 8.280 nan 0.000 0.515 536 R N 0.729 121.292 120.500 0.106 0.000 2.083 536 R HA -0.211 4.134 4.340 0.008 0.000 0.237 536 R C 2.281 178.559 176.300 -0.037 0.000 1.137 536 R CA 1.828 57.955 56.100 0.045 0.000 0.951 536 R CB -0.904 29.452 30.300 0.092 0.000 0.851 536 R HN 0.603 nan 8.270 nan 0.000 0.434 537 E N 0.721 120.909 120.200 -0.020 0.000 2.023 537 E HA -0.166 4.189 4.350 0.008 0.000 0.196 537 E C 2.153 178.720 176.600 -0.054 0.000 1.003 537 E CA 1.177 57.564 56.400 -0.021 0.000 0.809 537 E CB -0.073 29.623 29.700 -0.008 0.000 0.755 537 E HN 0.205 nan 8.360 nan 0.000 0.449 538 L N 0.783 121.948 121.223 -0.097 0.000 2.012 538 L HA -0.192 4.153 4.340 0.008 0.000 0.210 538 L C 2.960 179.735 176.870 -0.157 0.000 1.073 538 L CA 2.009 56.779 54.840 -0.118 0.000 0.748 538 L CB -1.311 40.666 42.059 -0.137 0.000 0.891 538 L HN 0.407 nan 8.230 nan 0.000 0.431 539 T N -2.128 112.255 114.554 -0.286 0.000 2.821 539 T HA -0.207 4.148 4.350 0.008 0.000 0.267 539 T C 1.820 176.435 174.700 -0.142 0.000 1.046 539 T CA 1.230 63.155 62.100 -0.291 0.000 1.139 539 T CB -0.203 68.343 68.868 -0.537 0.000 0.871 539 T HN 0.046 nan 8.240 nan 0.000 0.454 540 K N 1.667 122.011 120.400 -0.094 0.000 2.009 540 K HA 0.053 4.378 4.320 0.008 0.000 0.210 540 K C 2.225 178.846 176.600 0.035 0.000 1.049 540 K CA 1.338 57.613 56.287 -0.021 0.000 0.929 540 K CB -0.965 31.547 32.500 0.021 0.000 0.714 540 K HN 0.451 nan 8.250 nan 0.000 0.440 541 L N 0.479 121.747 121.223 0.076 0.000 2.017 541 L HA -0.182 4.163 4.340 0.008 0.000 0.208 541 L C 2.704 179.661 176.870 0.146 0.000 1.073 541 L CA 1.971 56.926 54.840 0.191 0.000 0.745 541 L CB -0.632 41.485 42.059 0.097 0.000 0.894 541 L HN 0.309 nan 8.230 nan 0.000 0.432 542 K N 0.471 120.885 120.400 0.024 0.000 2.057 542 K HA -0.166 4.159 4.320 0.008 0.000 0.206 542 K C 2.332 178.915 176.600 -0.028 0.000 1.050 542 K CA 1.704 57.989 56.287 -0.004 0.000 0.935 542 K CB -0.017 32.453 32.500 -0.049 0.000 0.715 542 K HN 0.326 nan 8.250 nan 0.000 0.439 543 S N -0.858 114.805 115.700 -0.061 0.000 2.406 543 S HA -0.062 4.412 4.470 0.008 0.000 0.228 543 S C 1.733 176.250 174.600 -0.138 0.000 1.020 543 S CA 1.392 59.541 58.200 -0.084 0.000 0.965 543 S CB -0.183 62.967 63.200 -0.082 0.000 0.798 543 S HN 0.314 nan 8.310 nan 0.000 0.488 544 T N -0.064 114.358 114.554 -0.221 0.000 3.044 544 T HA 0.301 4.655 4.350 0.008 0.000 0.255 544 T C 0.682 174.944 174.700 -0.730 0.000 1.073 544 T CA 0.616 62.404 62.100 -0.520 0.000 1.125 544 T CB -0.117 68.287 68.868 -0.773 0.000 0.908 544 T HN 0.623 nan 8.240 nan 0.000 0.480 545 Y N -0.445 119.870 120.300 0.024 0.000 3.012 545 Y HA 0.442 4.997 4.550 0.008 0.000 0.236 545 Y C 1.936 177.862 175.900 0.043 0.000 1.017 545 Y CA -0.685 57.449 58.100 0.057 0.000 1.364 545 Y CB -0.092 38.417 38.460 0.082 0.000 1.491 545 Y HN -0.056 nan 8.280 nan 0.000 0.435 546 I N 0.925 121.612 120.570 0.195 0.000 2.248 546 I HA -0.301 3.874 4.170 0.008 0.000 0.248 546 I C 1.318 177.458 176.117 0.039 0.000 1.107 546 I CA 1.840 63.193 61.300 0.089 0.000 1.373 546 I CB -0.191 37.831 38.000 0.036 0.000 1.055 546 I HN 0.354 nan 8.210 nan 0.000 0.418 547 D N 0.235 120.645 120.400 0.018 0.000 2.269 547 D HA -0.010 4.635 4.640 0.008 0.000 0.220 547 D C -0.405 175.892 176.300 -0.005 0.000 0.962 547 D CA 0.896 54.894 54.000 -0.005 0.000 0.884 547 D CB -1.345 39.441 40.800 -0.023 0.000 1.023 547 D HN 0.271 nan 8.370 nan 0.000 0.484 548 P HA -0.070 nan 4.420 nan 0.000 0.217 548 P C 2.016 179.326 177.300 0.016 0.000 1.150 548 P CA 0.724 63.813 63.100 -0.018 0.000 0.832 548 P CB 0.157 31.828 31.700 -0.048 0.000 0.787 549 L N 0.004 121.260 121.223 0.056 0.000 1.989 549 L HA -0.106 4.239 4.340 0.008 0.000 0.211 549 L C -0.107 176.797 176.870 0.058 0.000 1.071 549 L CA 2.161 57.051 54.840 0.083 0.000 0.749 549 L CB -2.591 39.543 42.059 0.125 0.000 0.890 549 L HN 0.033 nan 8.230 nan 0.000 0.431 550 P HA -0.154 nan 4.420 nan 0.000 0.219 550 P C 0.615 177.938 177.300 0.038 0.000 1.146 550 P CA 1.305 64.425 63.100 0.033 0.000 0.808 550 P CB -0.013 31.700 31.700 0.021 0.000 0.779 551 D N -1.788 118.625 120.400 0.022 0.000 2.340 551 D HA 0.040 4.684 4.640 0.008 0.000 0.220 551 D C 1.050 177.353 176.300 0.004 0.000 1.039 551 D CA 0.450 54.452 54.000 0.002 0.000 0.866 551 D CB 0.038 40.817 40.800 -0.034 0.000 0.913 551 D HN 0.134 nan 8.370 nan 0.000 0.523 552 L N 0.610 121.873 121.223 0.066 0.000 2.640 552 L HA 0.141 4.485 4.340 0.008 0.000 0.230 552 L C 0.373 177.464 176.870 0.370 0.000 1.123 552 L CA -0.071 54.857 54.840 0.147 0.000 0.900 552 L CB 0.091 42.234 42.059 0.140 0.000 1.146 552 L HN -0.107 nan 8.230 nan 0.000 0.484 553 I N 0.088 120.822 120.570 0.274 0.000 2.648 553 I HA -0.063 4.112 4.170 0.008 0.000 0.284 553 I C 0.881 177.238 176.117 0.399 0.000 1.153 553 I CA 0.172 61.646 61.300 0.290 0.000 1.426 553 I CB -0.097 37.999 38.000 0.161 0.000 1.381 553 I HN 0.145 nan 8.210 nan 0.000 0.571 554 H N 8.992 128.182 119.070 0.200 0.000 2.610 554 H HA 0.162 4.723 4.556 0.007 0.000 0.336 554 H C -1.622 173.680 175.328 -0.044 0.000 1.087 554 H CA -1.497 54.468 56.048 -0.140 0.000 1.405 554 H CB 1.788 31.209 29.762 -0.567 0.000 1.460 554 H HN 0.334 nan 8.280 nan 0.000 0.538 555 P HA -0.148 nan 4.420 nan 0.000 0.214 555 P C 0.922 178.286 177.300 0.106 0.000 1.163 555 P CA 1.334 64.437 63.100 0.004 0.000 0.883 555 P CB 0.367 32.026 31.700 -0.067 0.000 0.788 556 R N -0.338 120.309 120.500 0.245 0.000 2.235 556 R HA -0.001 4.343 4.340 0.008 0.000 0.213 556 R C 2.208 178.522 176.300 0.024 0.000 1.059 556 R CA 1.742 57.908 56.100 0.109 0.000 0.997 556 R CB -0.674 29.660 30.300 0.056 0.000 0.884 556 R HN 0.399 nan 8.270 nan 0.000 0.462 557 T N -5.100 109.485 114.554 0.052 0.000 2.954 557 T HA 0.199 4.554 4.350 0.008 0.000 0.252 557 T C 1.454 176.195 174.700 0.068 0.000 0.983 557 T CA 0.445 62.555 62.100 0.016 0.000 0.941 557 T CB 0.895 69.763 68.868 0.000 0.000 1.141 557 T HN 0.248 nan 8.240 nan 0.000 0.500 558 G N 1.943 110.804 108.800 0.103 0.000 2.166 558 G HA2 -0.265 3.699 3.960 0.008 0.000 0.260 558 G HA3 -0.265 3.699 3.960 0.008 0.000 0.260 558 G C 0.099 175.046 174.900 0.079 0.000 0.986 558 G CA 0.494 45.641 45.100 0.079 0.000 0.683 558 G HN 0.777 nan 8.290 nan 0.000 0.527 559 R N -1.387 119.203 120.500 0.150 0.000 2.939 559 R HA 0.769 5.113 4.340 0.008 0.000 0.254 559 R C -0.093 176.298 176.300 0.153 0.000 1.123 559 R CA -1.079 55.067 56.100 0.076 0.000 1.020 559 R CB 1.195 31.462 30.300 -0.054 0.000 1.206 559 R HN 0.107 nan 8.270 nan 0.000 0.491 560 L N 2.212 123.431 121.223 -0.007 0.000 2.275 560 L HA 0.325 4.669 4.340 0.008 0.000 0.288 560 L C -0.750 176.071 176.870 -0.082 0.000 1.046 560 L CA -0.438 54.462 54.840 0.099 0.000 0.805 560 L CB 0.770 42.889 42.059 0.099 0.000 1.193 560 L HN 0.508 nan 8.230 nan 0.000 0.426 561 H N 1.323 120.478 119.070 0.142 0.000 2.697 561 H HA 0.265 4.826 4.556 0.008 0.000 0.270 561 H C 0.047 175.435 175.328 0.098 0.000 1.188 561 H CA -0.350 55.754 56.048 0.093 0.000 1.322 561 H CB 0.848 30.618 29.762 0.014 0.000 1.405 561 H HN 0.434 nan 8.280 nan 0.000 0.502 562 T N 2.370 116.967 114.554 0.072 0.000 2.828 562 T HA 0.347 4.702 4.350 0.008 0.000 0.290 562 T C 0.599 175.195 174.700 -0.173 0.000 1.019 562 T CA -0.493 61.560 62.100 -0.080 0.000 1.031 562 T CB 0.557 69.277 68.868 -0.247 0.000 1.001 562 T HN 0.514 nan 8.240 nan 0.000 0.531 563 R N 0.211 120.549 120.500 -0.270 0.000 2.664 563 R HA 0.512 4.856 4.340 0.008 0.000 0.286 563 R C -1.312 174.710 176.300 -0.464 0.000 0.967 563 R CA -0.594 55.387 56.100 -0.198 0.000 0.933 563 R CB 1.153 31.425 30.300 -0.046 0.000 1.146 563 R HN 0.414 nan 8.270 nan 0.000 0.468 564 F N 1.553 121.517 119.950 0.023 0.000 2.366 564 F HA 0.291 4.823 4.527 0.007 0.000 0.366 564 F C -0.017 175.776 175.800 -0.010 0.000 1.096 564 F CA -0.952 57.049 58.000 0.002 0.000 1.060 564 F CB 1.119 40.108 39.000 -0.017 0.000 1.282 564 F HN 0.251 nan 8.300 nan 0.000 0.450 565 N N 3.931 122.689 118.700 0.096 0.000 2.420 565 N HA 0.010 4.755 4.740 0.008 0.000 0.262 565 N C 0.883 176.397 175.510 0.007 0.000 1.144 565 N CA 0.027 53.095 53.050 0.030 0.000 0.952 565 N CB 1.467 39.954 38.487 0.001 0.000 1.081 565 N HN 0.756 nan 8.380 nan 0.000 0.480 566 Q N 1.165 120.935 119.800 -0.050 0.000 2.302 566 Q HA -0.020 4.324 4.340 0.008 0.000 0.202 566 Q C 0.154 175.902 176.000 -0.421 0.000 0.936 566 Q CA 0.749 56.484 55.803 -0.114 0.000 0.886 566 Q CB 0.459 29.164 28.738 -0.055 0.000 0.986 566 Q HN 0.681 nan 8.270 nan 0.000 0.487 567 T N -2.942 111.294 114.554 -0.531 0.000 3.438 567 T HA 0.683 5.037 4.350 0.008 0.000 0.244 567 T C -0.048 174.344 174.700 -0.513 0.000 1.269 567 T CA -0.110 61.322 62.100 -1.113 0.000 1.371 567 T CB 1.287 69.717 68.868 -0.729 0.000 1.002 567 T HN 0.125 nan 8.240 nan 0.000 0.637 568 A N 0.691 123.345 122.820 -0.275 0.000 2.603 568 A HA 0.593 4.918 4.320 0.008 0.000 0.277 568 A C 0.506 178.141 177.584 0.085 0.000 1.158 568 A CA -0.357 51.658 52.037 -0.038 0.000 0.962 568 A CB 0.562 19.549 19.000 -0.022 0.000 1.189 568 A HN 0.526 nan 8.150 nan 0.000 0.552 569 T N -0.641 114.038 114.554 0.208 0.000 2.893 569 T HA 0.524 4.879 4.350 0.008 0.000 0.293 569 T C 1.111 175.976 174.700 0.275 0.000 1.027 569 T CA 0.186 62.424 62.100 0.229 0.000 0.988 569 T CB 1.797 70.788 68.868 0.204 0.000 1.043 569 T HN 0.342 nan 8.240 nan 0.000 0.461 570 A N 1.542 124.445 122.820 0.138 0.000 2.014 570 A HA 0.015 4.339 4.320 0.008 0.000 0.218 570 A C 2.120 179.719 177.584 0.025 0.000 1.163 570 A CA 1.683 53.766 52.037 0.076 0.000 0.652 570 A CB -0.677 18.350 19.000 0.045 0.000 0.808 570 A HN 0.844 nan 8.150 nan 0.000 0.449 571 T N -5.365 109.210 114.554 0.034 0.000 3.060 571 T HA 0.427 4.782 4.350 0.008 0.000 0.249 571 T C 1.331 176.045 174.700 0.024 0.000 1.079 571 T CA 1.116 63.219 62.100 0.005 0.000 1.013 571 T CB 0.442 69.298 68.868 -0.020 0.000 0.975 571 T HN 1.549 nan 8.240 nan 0.000 0.518 572 G N 1.565 110.421 108.800 0.093 0.000 2.184 572 G HA2 -0.190 3.774 3.960 0.008 0.000 0.206 572 G HA3 -0.190 3.774 3.960 0.008 0.000 0.206 572 G C 0.329 175.346 174.900 0.196 0.000 0.995 572 G CA -0.346 44.843 45.100 0.148 0.000 0.651 572 G HN 0.609 nan 8.290 nan 0.000 0.511 573 R N -0.328 120.272 120.500 0.167 0.000 2.747 573 R HA 0.665 5.010 4.340 0.008 0.000 0.278 573 R C 0.623 177.046 176.300 0.204 0.000 1.153 573 R CA -0.069 56.143 56.100 0.187 0.000 1.206 573 R CB 0.368 30.794 30.300 0.209 0.000 1.161 573 R HN 0.272 nan 8.270 nan 0.000 0.589 574 L N -0.220 121.125 121.223 0.204 0.000 2.365 574 L HA 0.400 4.744 4.340 0.008 0.000 0.267 574 L C 0.290 177.285 176.870 0.208 0.000 1.033 574 L CA -0.639 54.301 54.840 0.166 0.000 0.802 574 L CB 1.696 43.843 42.059 0.147 0.000 1.267 574 L HN 0.728 nan 8.230 nan 0.000 0.457 575 S N -0.843 114.957 115.700 0.166 0.000 2.570 575 S HA 0.570 5.045 4.470 0.008 0.000 0.286 575 S C -0.846 173.812 174.600 0.097 0.000 1.099 575 S CA -0.688 57.605 58.200 0.154 0.000 0.913 575 S CB 1.925 65.186 63.200 0.102 0.000 1.085 575 S HN 0.497 nan 8.310 nan 0.000 0.480 576 S N 1.296 117.024 115.700 0.047 0.000 2.451 576 S HA 0.731 5.206 4.470 0.008 0.000 0.301 576 S C -0.474 174.074 174.600 -0.086 0.000 1.116 576 S CA -0.396 57.724 58.200 -0.134 0.000 1.093 576 S CB 0.934 64.049 63.200 -0.142 0.000 1.017 576 S HN 1.018 nan 8.310 nan 0.000 0.482 577 S N 3.630 119.252 115.700 -0.129 0.000 2.671 577 S HA 0.719 5.193 4.470 0.008 0.000 0.299 577 S C -0.593 173.988 174.600 -0.031 0.000 1.116 577 S CA -0.194 57.976 58.200 -0.050 0.000 0.912 577 S CB 0.742 63.927 63.200 -0.024 0.000 1.130 577 S HN 0.939 nan 8.310 nan 0.000 0.501 578 D N 0.351 120.751 120.400 0.000 0.000 3.639 578 D HA -0.125 4.519 4.640 0.008 0.000 0.162 578 D C -2.662 173.654 176.300 0.027 0.000 1.054 578 D CA 1.204 55.215 54.000 0.018 0.000 1.085 578 D CB -1.940 38.888 40.800 0.046 0.000 0.547 578 D HN 0.580 nan 8.370 nan 0.000 0.595 579 P HA 0.035 nan 4.420 nan 0.000 0.258 579 P C -0.405 176.922 177.300 0.044 0.000 1.187 579 P CA 0.305 63.453 63.100 0.080 0.000 0.767 579 P CB -0.103 31.680 31.700 0.139 0.000 0.770 580 N N 4.124 122.863 118.700 0.065 0.000 2.437 580 N HA 0.105 4.849 4.740 0.008 0.000 0.243 580 N C 0.534 176.124 175.510 0.134 0.000 1.041 580 N CA -0.239 52.847 53.050 0.060 0.000 0.940 580 N CB -0.122 38.411 38.487 0.077 0.000 1.133 580 N HN 0.326 nan 8.380 nan 0.000 0.506 581 L N 2.424 123.708 121.223 0.102 0.000 2.700 581 L HA 0.197 4.541 4.340 0.008 0.000 0.234 581 L C 1.206 178.205 176.870 0.215 0.000 1.156 581 L CA 0.134 55.088 54.840 0.189 0.000 0.946 581 L CB 0.089 42.277 42.059 0.214 0.000 1.216 581 L HN 0.527 nan 8.230 nan 0.000 0.493 582 Q N 0.826 120.731 119.800 0.174 0.000 2.360 582 Q HA 0.041 4.386 4.340 0.008 0.000 0.202 582 Q C 0.371 176.475 176.000 0.174 0.000 0.915 582 Q CA 0.183 56.102 55.803 0.193 0.000 0.943 582 Q CB 0.252 29.094 28.738 0.173 0.000 1.064 582 Q HN 0.649 nan 8.270 nan 0.000 0.511 583 N N -1.125 117.657 118.700 0.137 0.000 2.588 583 N HA 0.161 4.905 4.740 0.008 0.000 0.298 583 N C -0.682 174.824 175.510 -0.007 0.000 1.718 583 N CA -0.309 52.800 53.050 0.098 0.000 0.888 583 N CB 0.634 39.222 38.487 0.168 0.000 1.389 583 N HN -0.120 nan 8.380 nan 0.000 0.491 584 I N 1.349 121.811 120.570 -0.180 0.000 2.529 584 I HA 0.308 4.483 4.170 0.008 0.000 0.284 584 I C -1.730 174.068 176.117 -0.532 0.000 1.082 584 I CA -2.358 58.671 61.300 -0.451 0.000 1.406 584 I CB 0.133 37.807 38.000 -0.544 0.000 1.405 584 I HN 0.147 nan 8.210 nan 0.000 0.548 585 P HA 0.078 nan 4.420 nan 0.000 0.269 585 P C 0.402 177.496 177.300 -0.343 0.000 1.217 585 P CA 0.279 63.126 63.100 -0.420 0.000 0.783 585 P CB 1.077 32.532 31.700 -0.408 0.000 0.898 586 V N 1.734 121.502 119.914 -0.243 0.000 3.668 586 V HA 0.040 4.164 4.120 0.008 0.000 0.261 586 V C 1.413 177.427 176.094 -0.134 0.000 1.790 586 V CA 0.389 62.559 62.300 -0.216 0.000 1.119 586 V CB -0.236 31.412 31.823 -0.291 0.000 0.967 586 V HN 0.384 nan 8.190 nan 0.000 0.344 587 R N 1.286 121.721 120.500 -0.108 0.000 2.236 587 R HA 0.151 4.496 4.340 0.008 0.000 0.208 587 R C 0.898 177.169 176.300 -0.049 0.000 1.036 587 R CA 1.304 57.364 56.100 -0.067 0.000 1.001 587 R CB 0.034 30.306 30.300 -0.048 0.000 0.896 587 R HN 0.694 nan 8.270 nan 0.000 0.464 588 T N -3.450 111.073 114.554 -0.052 0.000 2.930 588 T HA 0.325 4.679 4.350 0.008 0.000 0.290 588 T C -2.333 172.347 174.700 -0.034 0.000 1.052 588 T CA -2.320 59.760 62.100 -0.034 0.000 1.017 588 T CB 2.494 71.347 68.868 -0.025 0.000 1.137 588 T HN -0.328 nan 8.240 nan 0.000 0.511 589 P HA -0.070 nan 4.420 nan 0.000 0.216 589 P C 1.591 178.885 177.300 -0.010 0.000 1.153 589 P CA 0.470 63.562 63.100 -0.013 0.000 0.858 589 P CB 0.029 31.725 31.700 -0.007 0.000 0.789 590 L N -0.647 120.568 121.223 -0.015 0.000 2.109 590 L HA 0.049 4.393 4.340 0.008 0.000 0.207 590 L C 2.244 179.101 176.870 -0.022 0.000 1.086 590 L CA 2.054 56.885 54.840 -0.014 0.000 0.760 590 L CB -1.548 40.500 42.059 -0.019 0.000 0.910 590 L HN -0.067 nan 8.230 nan 0.000 0.437 591 G N -1.307 107.466 108.800 -0.045 0.000 2.440 591 G HA2 -0.298 3.666 3.960 0.008 0.000 0.218 591 G HA3 -0.298 3.666 3.960 0.008 0.000 0.218 591 G C 1.472 176.323 174.900 -0.082 0.000 1.154 591 G CA 0.827 45.874 45.100 -0.088 0.000 0.767 591 G HN 0.514 nan 8.290 nan 0.000 0.552 592 Q N -0.251 119.517 119.800 -0.053 0.000 2.119 592 Q HA -0.012 4.332 4.340 0.008 0.000 0.201 592 Q C 2.820 178.841 176.000 0.036 0.000 0.972 592 Q CA 0.826 56.608 55.803 -0.034 0.000 0.847 592 Q CB -0.115 28.608 28.738 -0.025 0.000 0.903 592 Q HN 0.414 nan 8.270 nan 0.000 0.433 593 R N 0.170 120.708 120.500 0.063 0.000 2.127 593 R HA -0.127 4.217 4.340 0.008 0.000 0.238 593 R C 2.123 178.567 176.300 0.240 0.000 1.134 593 R CA 1.178 57.372 56.100 0.156 0.000 0.975 593 R CB -0.268 30.090 30.300 0.097 0.000 0.865 593 R HN 0.315 nan 8.270 nan 0.000 0.447 594 I N -0.130 120.520 120.570 0.134 0.000 2.277 594 I HA -0.197 3.977 4.170 0.008 0.000 0.243 594 I C 2.659 178.932 176.117 0.260 0.000 1.094 594 I CA 0.877 62.281 61.300 0.173 0.000 1.393 594 I CB -0.257 37.777 38.000 0.056 0.000 1.078 594 I HN 0.092 nan 8.210 nan 0.000 0.417 595 R N 1.392 121.962 120.500 0.117 0.000 2.127 595 R HA -0.156 4.189 4.340 0.008 0.000 0.238 595 R C 2.317 178.805 176.300 0.314 0.000 1.134 595 R CA 1.289 57.458 56.100 0.115 0.000 0.975 595 R CB -0.139 30.043 30.300 -0.196 0.000 0.865 595 R HN 0.216 nan 8.270 nan 0.000 0.447 596 R N -0.396 120.235 120.500 0.219 0.000 2.249 596 R HA -0.102 4.242 4.340 0.008 0.000 0.230 596 R C 1.991 178.351 176.300 0.100 0.000 1.121 596 R CA 1.088 57.273 56.100 0.141 0.000 0.997 596 R CB -0.162 30.174 30.300 0.061 0.000 0.867 596 R HN 0.280 nan 8.270 nan 0.000 0.465 597 A N 0.292 123.263 122.820 0.252 0.000 2.066 597 A HA -0.032 4.293 4.320 0.008 0.000 0.218 597 A C 0.235 177.800 177.584 -0.033 0.000 1.157 597 A CA 0.482 52.590 52.037 0.118 0.000 0.670 597 A CB -0.051 19.069 19.000 0.200 0.000 0.804 597 A HN 0.086 nan 8.150 nan 0.000 0.453 598 F N 1.047 121.092 119.950 0.158 0.000 2.444 598 F HA 0.487 5.019 4.527 0.008 0.000 0.360 598 F C 0.370 176.228 175.800 0.098 0.000 1.106 598 F CA -0.716 57.383 58.000 0.166 0.000 1.170 598 F CB 0.374 39.578 39.000 0.340 0.000 1.113 598 F HN 0.219 nan 8.300 nan 0.000 0.521 599 I N 0.103 120.731 120.570 0.097 0.000 3.042 599 I HA 0.942 5.116 4.170 0.008 0.000 0.310 599 I C -0.637 175.485 176.117 0.008 0.000 1.117 599 I CA -1.459 59.870 61.300 0.050 0.000 1.003 599 I CB 1.848 39.846 38.000 -0.003 0.000 1.228 599 I HN 0.463 nan 8.210 nan 0.000 0.443 600 A N 2.157 124.986 122.820 0.015 0.000 2.286 600 A HA 0.477 4.802 4.320 0.008 0.000 0.286 600 A C -0.075 177.488 177.584 -0.036 0.000 1.097 600 A CA -0.230 51.802 52.037 -0.009 0.000 0.821 600 A CB 0.676 19.724 19.000 0.080 0.000 1.076 600 A HN 0.821 nan 8.150 nan 0.000 0.490 601 E N 0.391 120.497 120.200 -0.157 0.000 2.418 601 E HA 0.218 4.572 4.350 0.008 0.000 0.261 601 E C -0.447 176.192 176.600 0.065 0.000 1.070 601 E CA 0.124 56.420 56.400 -0.174 0.000 0.931 601 E CB 0.269 29.645 29.700 -0.541 0.000 0.954 601 E HN 0.519 nan 8.360 nan 0.000 0.439 602 E N 1.332 121.584 120.200 0.086 0.000 2.465 602 E HA 0.278 4.632 4.350 0.008 0.000 0.260 602 E C 0.884 177.655 176.600 0.286 0.000 0.980 602 E CA 1.444 57.928 56.400 0.139 0.000 0.927 602 E CB 0.198 29.952 29.700 0.089 0.000 0.934 602 E HN 0.762 nan 8.360 nan 0.000 0.459 603 G N 0.907 109.837 108.800 0.218 0.000 2.176 603 G HA2 -0.248 3.717 3.960 0.008 0.000 0.253 603 G HA3 -0.248 3.717 3.960 0.008 0.000 0.253 603 G C -0.440 174.529 174.900 0.116 0.000 0.979 603 G CA -0.044 45.149 45.100 0.156 0.000 0.641 603 G HN 0.378 nan 8.290 nan 0.000 0.530 604 W N -0.719 120.572 121.300 -0.016 0.000 3.164 604 W HA 0.868 5.532 4.660 0.007 0.000 0.325 604 W C 0.234 176.743 176.519 -0.017 0.000 1.228 604 W CA -1.095 56.239 57.345 -0.019 0.000 1.024 604 W CB 0.826 30.273 29.460 -0.022 0.000 1.534 604 W HN 0.091 nan 8.180 nan 0.000 0.614 605 L N 1.212 122.599 121.223 0.274 0.000 2.466 605 L HA 0.452 4.796 4.340 0.008 0.000 0.258 605 L C -0.906 176.039 176.870 0.126 0.000 0.973 605 L CA -1.035 53.891 54.840 0.143 0.000 0.826 605 L CB 1.837 43.942 42.059 0.078 0.000 1.372 605 L HN 0.127 nan 8.230 nan 0.000 0.409 606 L N 2.328 123.596 121.223 0.074 0.000 2.334 606 L HA 0.614 4.958 4.340 0.008 0.000 0.277 606 L C -0.689 176.193 176.870 0.020 0.000 1.075 606 L CA -0.838 54.017 54.840 0.026 0.000 0.804 606 L CB 1.786 43.842 42.059 -0.004 0.000 1.174 606 L HN 0.237 nan 8.230 nan 0.000 0.438 607 V N 2.008 121.917 119.914 -0.008 0.000 2.443 607 V HA 0.598 4.723 4.120 0.008 0.000 0.293 607 V C -0.097 175.980 176.094 -0.027 0.000 1.021 607 V CA -0.571 61.727 62.300 -0.003 0.000 0.848 607 V CB 1.601 33.423 31.823 -0.000 0.000 0.998 607 V HN 0.843 nan 8.190 nan 0.000 0.424 608 A N 6.109 128.933 122.820 0.006 0.000 2.303 608 A HA 0.948 5.272 4.320 0.008 0.000 0.320 608 A C -1.077 176.518 177.584 0.019 0.000 1.192 608 A CA -0.391 51.660 52.037 0.023 0.000 0.821 608 A CB 0.756 19.835 19.000 0.131 0.000 1.188 608 A HN 0.720 nan 8.150 nan 0.000 0.492 609 L N 2.151 123.365 121.223 -0.015 0.000 2.365 609 L HA 0.655 4.999 4.340 0.008 0.000 0.273 609 L C -0.539 176.292 176.870 -0.065 0.000 1.000 609 L CA -0.248 54.557 54.840 -0.059 0.000 0.819 609 L CB 2.120 44.109 42.059 -0.116 0.000 1.284 609 L HN 0.666 nan 8.230 nan 0.000 0.418 610 D N 1.008 121.367 120.400 -0.069 0.000 2.936 610 D HA 0.238 4.882 4.640 0.008 0.000 0.238 610 D C -1.252 175.041 176.300 -0.013 0.000 1.248 610 D CA -0.506 53.488 54.000 -0.010 0.000 0.903 610 D CB 1.106 41.953 40.800 0.078 0.000 1.544 610 D HN 0.209 nan 8.370 nan 0.000 0.543 611 Y N 1.496 121.837 120.300 0.068 0.000 2.632 611 Y HA 0.108 4.662 4.550 0.006 0.000 0.329 611 Y C 1.482 177.427 175.900 0.074 0.000 1.174 611 Y CA 0.439 58.571 58.100 0.053 0.000 1.469 611 Y CB 0.690 39.171 38.460 0.035 0.000 1.242 611 Y HN 0.171 nan 8.280 nan 0.000 0.540 612 S N 3.689 119.523 115.700 0.223 0.000 2.549 612 S HA 0.016 4.490 4.470 0.008 0.000 0.283 612 S C 0.067 174.770 174.600 0.173 0.000 1.320 612 S CA -0.617 57.691 58.200 0.180 0.000 1.058 612 S CB 0.066 63.349 63.200 0.140 0.000 0.882 612 S HN 0.771 nan 8.310 nan 0.000 0.498 613 Q N 2.252 122.183 119.800 0.219 0.000 2.368 613 Q HA -0.247 4.097 4.340 0.008 0.000 0.352 613 Q C 0.745 176.840 176.000 0.158 0.000 1.301 613 Q CA 0.510 56.449 55.803 0.227 0.000 1.059 613 Q CB -1.664 27.144 28.738 0.117 0.000 1.281 613 Q HN 0.781 nan 8.270 nan 0.000 0.406 614 I N 0.448 121.126 120.570 0.178 0.000 2.087 614 I HA -0.333 3.841 4.170 0.008 0.000 0.240 614 I C 2.054 178.165 176.117 -0.011 0.000 1.054 614 I CA 2.273 63.595 61.300 0.037 0.000 1.311 614 I CB -0.018 38.011 38.000 0.049 0.000 1.024 614 I HN 0.351 nan 8.210 nan 0.000 0.402 615 E N -0.196 120.058 120.200 0.091 0.000 2.204 615 E HA -0.180 4.174 4.350 0.008 0.000 0.195 615 E C 2.281 178.946 176.600 0.108 0.000 0.990 615 E CA 1.144 57.579 56.400 0.057 0.000 0.821 615 E CB -0.187 29.493 29.700 -0.035 0.000 0.750 615 E HN 0.537 nan 8.360 nan 0.000 0.477 616 L N 0.255 121.605 121.223 0.212 0.000 2.141 616 L HA -0.143 4.201 4.340 0.008 0.000 0.209 616 L C 2.462 179.296 176.870 -0.060 0.000 1.094 616 L CA 0.995 55.925 54.840 0.150 0.000 0.763 616 L CB -0.273 41.942 42.059 0.261 0.000 0.908 616 L HN 0.067 nan 8.230 nan 0.000 0.437 617 R N -0.555 119.723 120.500 -0.370 0.000 2.066 617 R HA -0.105 4.239 4.340 0.008 0.000 0.232 617 R C 2.267 178.378 176.300 -0.315 0.000 1.131 617 R CA 1.103 56.791 56.100 -0.687 0.000 0.955 617 R CB -0.504 29.362 30.300 -0.724 0.000 0.851 617 R HN 0.135 nan 8.270 nan 0.000 0.432 618 V N 1.621 121.398 119.914 -0.228 0.000 2.332 618 V HA -0.237 3.887 4.120 0.008 0.000 0.248 618 V C 2.202 178.194 176.094 -0.169 0.000 1.055 618 V CA 1.580 63.770 62.300 -0.183 0.000 1.038 618 V CB -0.457 31.261 31.823 -0.174 0.000 0.651 618 V HN 0.252 nan 8.190 nan 0.000 0.450 619 L N 0.933 122.052 121.223 -0.173 0.000 2.093 619 L HA -0.026 4.318 4.340 0.008 0.000 0.208 619 L C 2.405 179.131 176.870 -0.240 0.000 1.085 619 L CA 2.267 56.954 54.840 -0.254 0.000 0.755 619 L CB -0.896 41.071 42.059 -0.153 0.000 0.904 619 L HN 0.205 nan 8.230 nan 0.000 0.435 620 A N -1.611 121.130 122.820 -0.131 0.000 1.972 620 A HA -0.259 4.066 4.320 0.008 0.000 0.219 620 A C 2.378 179.915 177.584 -0.077 0.000 1.169 620 A CA 1.654 53.647 52.037 -0.073 0.000 0.635 620 A CB -0.982 18.052 19.000 0.057 0.000 0.810 620 A HN 0.732 nan 8.150 nan 0.000 0.446 621 H N -0.332 118.638 119.070 -0.167 0.000 2.448 621 H HA 0.133 4.693 4.556 0.007 0.000 0.292 621 H C 1.784 177.007 175.328 -0.173 0.000 1.035 621 H CA 1.246 57.212 56.048 -0.135 0.000 1.349 621 H CB -0.002 29.689 29.762 -0.118 0.000 1.425 621 H HN 0.424 nan 8.280 nan 0.000 0.539 622 L N 0.523 121.597 121.223 -0.249 0.000 2.044 622 L HA -0.117 4.228 4.340 0.008 0.000 0.205 622 L C 2.887 179.428 176.870 -0.548 0.000 1.075 622 L CA 1.378 55.954 54.840 -0.440 0.000 0.747 622 L CB -0.392 41.195 42.059 -0.786 0.000 0.903 622 L HN 0.287 nan 8.230 nan 0.000 0.435 623 S N -0.723 114.647 115.700 -0.551 0.000 2.414 623 S HA 0.027 4.501 4.470 0.008 0.000 0.227 623 S C 1.728 176.281 174.600 -0.078 0.000 1.022 623 S CA 0.651 58.715 58.200 -0.226 0.000 0.958 623 S CB 0.094 63.233 63.200 -0.101 0.000 0.797 623 S HN 0.531 nan 8.310 nan 0.000 0.493 624 G N 1.345 110.063 108.800 -0.136 0.000 2.184 624 G HA2 -0.321 3.644 3.960 0.008 0.000 0.264 624 G HA3 -0.321 3.644 3.960 0.008 0.000 0.264 624 G C -0.171 174.708 174.900 -0.035 0.000 0.975 624 G CA 0.276 45.319 45.100 -0.096 0.000 0.642 624 G HN 0.799 nan 8.290 nan 0.000 0.536 625 D N 1.123 121.514 120.400 -0.014 0.000 2.502 625 D HA 0.267 4.912 4.640 0.008 0.000 0.249 625 D C 1.966 178.280 176.300 0.024 0.000 1.188 625 D CA 0.645 54.660 54.000 0.025 0.000 0.890 625 D CB 0.573 41.407 40.800 0.057 0.000 1.140 625 D HN 0.449 nan 8.370 nan 0.000 0.505 626 E N 2.465 122.681 120.200 0.026 0.000 2.153 626 E HA -0.278 4.077 4.350 0.008 0.000 0.194 626 E C 1.788 178.406 176.600 0.031 0.000 0.988 626 E CA 1.503 57.916 56.400 0.021 0.000 0.811 626 E CB -1.248 28.459 29.700 0.011 0.000 0.746 626 E HN 0.635 nan 8.360 nan 0.000 0.466 627 N N 1.646 120.380 118.700 0.057 0.000 2.244 627 N HA -0.075 4.669 4.740 0.008 0.000 0.183 627 N C 1.996 177.574 175.510 0.114 0.000 1.016 627 N CA 1.425 54.521 53.050 0.075 0.000 0.866 627 N CB -0.535 37.996 38.487 0.073 0.000 0.980 627 N HN 0.133 nan 8.380 nan 0.000 0.430 628 L N 0.934 122.213 121.223 0.094 0.000 2.127 628 L HA 0.217 4.561 4.340 0.008 0.000 0.203 628 L C 2.410 179.252 176.870 -0.046 0.000 1.080 628 L CA 1.131 55.895 54.840 -0.126 0.000 0.768 628 L CB -0.378 41.498 42.059 -0.304 0.000 0.924 628 L HN 0.620 nan 8.230 nan 0.000 0.444 629 I N -2.313 118.280 120.570 0.039 0.000 2.264 629 I HA -0.231 3.944 4.170 0.008 0.000 0.248 629 I C 2.676 178.842 176.117 0.082 0.000 1.111 629 I CA 1.521 62.886 61.300 0.109 0.000 1.382 629 I CB -1.063 36.972 38.000 0.059 0.000 1.060 629 I HN 0.166 nan 8.210 nan 0.000 0.418 630 R N 1.603 122.112 120.500 0.014 0.000 2.092 630 R HA -0.009 4.335 4.340 0.008 0.000 0.231 630 R C 2.228 178.485 176.300 -0.071 0.000 1.119 630 R CA 1.943 58.036 56.100 -0.012 0.000 0.970 630 R CB -2.063 28.227 30.300 -0.016 0.000 0.864 630 R HN 0.452 nan 8.270 nan 0.000 0.440 631 V N 0.221 120.025 119.914 -0.182 0.000 2.278 631 V HA -0.275 3.850 4.120 0.008 0.000 0.251 631 V C 2.374 178.212 176.094 -0.428 0.000 1.062 631 V CA 2.256 64.328 62.300 -0.380 0.000 1.038 631 V CB -0.719 30.693 31.823 -0.684 0.000 0.646 631 V HN 0.574 nan 8.190 nan 0.000 0.447 632 F N -0.270 119.647 119.950 -0.055 0.000 2.219 632 F HA -0.012 4.524 4.527 0.014 0.000 0.294 632 F C 2.578 178.365 175.800 -0.023 0.000 1.086 632 F CA 0.919 58.894 58.000 -0.043 0.000 1.330 632 F CB -0.830 38.140 39.000 -0.049 0.000 1.047 632 F HN 0.059 nan 8.300 nan 0.000 0.495 633 Q N 0.258 120.140 119.800 0.138 0.000 2.234 633 Q HA -0.179 4.166 4.340 0.008 0.000 0.206 633 Q C 1.829 177.853 176.000 0.040 0.000 0.980 633 Q CA 1.672 57.522 55.803 0.078 0.000 0.869 633 Q CB -0.342 28.427 28.738 0.051 0.000 0.912 633 Q HN 0.635 nan 8.270 nan 0.000 0.436 634 E N -0.219 119.986 120.200 0.009 0.000 2.444 634 E HA 0.275 4.629 4.350 0.008 0.000 0.191 634 E C 1.022 177.618 176.600 -0.008 0.000 1.041 634 E CA 0.453 56.847 56.400 -0.009 0.000 0.883 634 E CB -0.291 29.388 29.700 -0.034 0.000 1.024 634 E HN 0.478 nan 8.360 nan 0.000 0.470 635 G N 0.818 109.629 108.800 0.019 0.000 2.179 635 G HA2 -0.316 3.648 3.960 0.008 0.000 0.257 635 G HA3 -0.316 3.648 3.960 0.008 0.000 0.257 635 G C 0.576 175.476 174.900 -0.000 0.000 1.010 635 G CA 0.476 45.594 45.100 0.031 0.000 0.736 635 G HN 0.536 nan 8.290 nan 0.000 0.513 636 R N 0.058 120.518 120.500 -0.067 0.000 2.560 636 R HA 0.441 4.785 4.340 0.008 0.000 0.270 636 R C -0.776 175.456 176.300 -0.113 0.000 1.074 636 R CA -0.357 55.680 56.100 -0.104 0.000 1.140 636 R CB 0.660 30.860 30.300 -0.167 0.000 1.073 636 R HN 0.207 nan 8.270 nan 0.000 0.527 637 D N 2.452 122.804 120.400 -0.080 0.000 2.469 637 D HA 0.141 4.786 4.640 0.008 0.000 0.251 637 D C 0.944 177.189 176.300 -0.092 0.000 1.173 637 D CA -0.359 53.604 54.000 -0.061 0.000 0.882 637 D CB 1.033 41.841 40.800 0.013 0.000 1.129 637 D HN 0.445 nan 8.370 nan 0.000 0.549 638 I N 2.791 123.246 120.570 -0.191 0.000 2.315 638 I HA -0.249 3.926 4.170 0.008 0.000 0.248 638 I C 1.840 177.941 176.117 -0.028 0.000 1.117 638 I CA 0.599 61.802 61.300 -0.162 0.000 1.404 638 I CB -0.110 37.735 38.000 -0.258 0.000 1.071 638 I HN 0.460 nan 8.210 nan 0.000 0.419 639 H N 0.335 119.406 119.070 0.001 0.000 2.389 639 H HA -0.088 4.473 4.556 0.007 0.000 0.299 639 H C 2.435 177.795 175.328 0.054 0.000 1.081 639 H CA 1.713 57.768 56.048 0.011 0.000 1.345 639 H CB -0.822 28.936 29.762 -0.006 0.000 1.393 639 H HN 0.266 nan 8.280 nan 0.000 0.520 640 T N 1.073 115.724 114.554 0.161 0.000 2.777 640 T HA -0.096 4.258 4.350 0.008 0.000 0.266 640 T C 1.837 176.612 174.700 0.125 0.000 1.040 640 T CA 1.258 63.429 62.100 0.118 0.000 1.141 640 T CB -0.025 68.888 68.868 0.075 0.000 0.868 640 T HN 0.510 nan 8.240 nan 0.000 0.444 641 E N 0.499 120.758 120.200 0.099 0.000 2.150 641 E HA -0.077 4.278 4.350 0.008 0.000 0.193 641 E C 2.304 179.017 176.600 0.188 0.000 0.985 641 E CA 1.102 57.566 56.400 0.106 0.000 0.814 641 E CB -0.182 29.538 29.700 0.033 0.000 0.752 641 E HN 0.366 nan 8.360 nan 0.000 0.466 642 T N 0.861 115.544 114.554 0.216 0.000 2.698 642 T HA -0.064 4.290 4.350 0.008 0.000 0.260 642 T C 2.064 177.013 174.700 0.415 0.000 1.044 642 T CA 1.149 63.446 62.100 0.328 0.000 1.149 642 T CB -0.221 68.839 68.868 0.320 0.000 0.864 642 T HN 0.234 nan 8.240 nan 0.000 0.419 643 A N 1.005 124.029 122.820 0.340 0.000 1.978 643 A HA -0.123 4.201 4.320 0.008 0.000 0.220 643 A C 2.510 180.346 177.584 0.420 0.000 1.170 643 A CA 2.167 54.450 52.037 0.410 0.000 0.636 643 A CB -0.973 18.163 19.000 0.228 0.000 0.810 643 A HN 0.459 nan 8.150 nan 0.000 0.448 644 S N -2.050 113.829 115.700 0.299 0.000 2.383 644 S HA -0.185 4.289 4.470 0.008 0.000 0.227 644 S C 1.609 176.384 174.600 0.291 0.000 1.026 644 S CA 1.568 59.915 58.200 0.245 0.000 0.981 644 S CB -0.437 62.873 63.200 0.182 0.000 0.818 644 S HN 0.762 nan 8.310 nan 0.000 0.472 645 W N 1.763 123.152 121.300 0.148 0.000 2.381 645 W HA -0.034 4.624 4.660 -0.003 0.000 0.321 645 W C 2.153 178.729 176.519 0.095 0.000 1.196 645 W CA 1.725 59.144 57.345 0.122 0.000 1.304 645 W CB -0.664 28.888 29.460 0.153 0.000 1.166 645 W HN 0.245 nan 8.180 nan 0.000 0.473 646 M N -0.307 119.426 119.600 0.221 0.000 2.151 646 M HA -0.280 4.204 4.480 0.008 0.000 0.256 646 M C 1.599 177.640 176.300 -0.432 0.000 1.072 646 M CA 2.065 57.228 55.300 -0.229 0.000 1.090 646 M CB -1.237 31.289 32.600 -0.123 0.000 1.294 646 M HN -0.061 nan 8.290 nan 0.000 0.415 647 F N 0.095 120.003 119.950 -0.070 0.000 2.693 647 F HA 0.323 4.852 4.527 0.004 0.000 0.303 647 F C 1.585 177.338 175.800 -0.077 0.000 1.143 647 F CA 0.113 58.071 58.000 -0.071 0.000 1.389 647 F CB -1.113 37.872 39.000 -0.024 0.000 1.060 647 F HN 0.361 nan 8.300 nan 0.000 0.535 648 G N 1.509 110.312 108.800 0.004 0.000 2.379 648 G HA2 -0.169 3.796 3.960 0.008 0.000 0.297 648 G HA3 -0.169 3.796 3.960 0.008 0.000 0.297 648 G C -0.046 174.881 174.900 0.045 0.000 1.004 648 G CA 0.583 45.674 45.100 -0.014 0.000 0.921 648 G HN 0.567 nan 8.290 nan 0.000 0.511 649 V N -3.784 116.183 119.914 0.088 0.000 2.876 649 V HA 0.917 5.042 4.120 0.008 0.000 0.312 649 V C -1.984 174.152 176.094 0.071 0.000 1.085 649 V CA -2.586 59.755 62.300 0.068 0.000 0.945 649 V CB 2.440 34.300 31.823 0.062 0.000 1.017 649 V HN 0.104 nan 8.190 nan 0.000 0.428 650 P HA 0.207 nan 4.420 nan 0.000 0.269 650 P C 0.259 177.589 177.300 0.050 0.000 1.215 650 P CA -0.057 63.073 63.100 0.051 0.000 0.780 650 P CB 1.000 32.721 31.700 0.035 0.000 0.898 651 R N 1.639 122.171 120.500 0.054 0.000 2.136 651 R HA -0.230 4.115 4.340 0.008 0.000 0.242 651 R C 2.239 178.556 176.300 0.030 0.000 1.131 651 R CA 2.377 58.506 56.100 0.049 0.000 0.937 651 R CB -1.139 29.188 30.300 0.044 0.000 0.863 651 R HN 0.602 nan 8.270 nan 0.000 0.435 652 E N -0.397 119.817 120.200 0.024 0.000 2.279 652 E HA -0.283 4.072 4.350 0.008 0.000 0.205 652 E C 1.513 178.116 176.600 0.006 0.000 1.028 652 E CA 1.430 57.839 56.400 0.015 0.000 0.830 652 E CB -0.223 29.486 29.700 0.014 0.000 0.736 652 E HN 0.526 nan 8.360 nan 0.000 0.478 653 A N 0.736 123.559 122.820 0.004 0.000 2.348 653 A HA 0.153 4.477 4.320 0.008 0.000 0.224 653 A C 0.795 178.356 177.584 -0.039 0.000 1.227 653 A CA -0.285 51.745 52.037 -0.012 0.000 0.885 653 A CB 0.564 19.562 19.000 -0.004 0.000 0.933 653 A HN 0.009 nan 8.150 nan 0.000 0.506 654 V N 3.515 123.408 119.914 -0.035 0.000 2.485 654 V HA 0.078 4.203 4.120 0.008 0.000 0.287 654 V C 0.192 176.237 176.094 -0.083 0.000 1.022 654 V CA -0.151 62.102 62.300 -0.078 0.000 1.067 654 V CB 0.152 31.958 31.823 -0.028 0.000 0.967 654 V HN 0.658 nan 8.190 nan 0.000 0.479 655 D N 5.883 126.202 120.400 -0.135 0.000 2.478 655 D HA 0.321 4.966 4.640 0.008 0.000 0.263 655 D C -2.183 174.057 176.300 -0.100 0.000 1.153 655 D CA -1.937 52.003 54.000 -0.100 0.000 1.038 655 D CB 1.708 42.446 40.800 -0.104 0.000 1.120 655 D HN 0.162 nan 8.370 nan 0.000 0.564 656 P HA -0.038 nan 4.420 nan 0.000 0.216 656 P C 1.560 178.819 177.300 -0.069 0.000 1.150 656 P CA 1.079 64.148 63.100 -0.052 0.000 0.837 656 P CB 0.127 31.804 31.700 -0.038 0.000 0.786 657 L N -2.503 118.667 121.223 -0.089 0.000 2.291 657 L HA -0.021 4.323 4.340 0.008 0.000 0.214 657 L C 2.319 179.113 176.870 -0.128 0.000 1.120 657 L CA 1.140 55.930 54.840 -0.084 0.000 0.799 657 L CB -0.748 41.269 42.059 -0.071 0.000 0.925 657 L HN 0.035 nan 8.230 nan 0.000 0.446 658 M N -0.607 118.839 119.600 -0.257 0.000 2.287 658 M HA -0.097 4.387 4.480 0.008 0.000 0.266 658 M C 2.427 178.635 176.300 -0.154 0.000 1.079 658 M CA 1.252 56.253 55.300 -0.498 0.000 1.146 658 M CB -0.170 31.917 32.600 -0.855 0.000 1.374 658 M HN 0.103 nan 8.290 nan 0.000 0.435 659 R N 0.535 120.980 120.500 -0.091 0.000 2.075 659 R HA -0.156 4.188 4.340 0.008 0.000 0.232 659 R C 2.247 178.526 176.300 -0.036 0.000 1.126 659 R CA 1.537 57.629 56.100 -0.014 0.000 0.963 659 R CB -0.111 30.189 30.300 -0.001 0.000 0.858 659 R HN 0.033 nan 8.270 nan 0.000 0.435 660 R N 0.689 121.165 120.500 -0.040 0.000 2.105 660 R HA -0.057 4.287 4.340 0.008 0.000 0.239 660 R C 1.836 178.133 176.300 -0.006 0.000 1.135 660 R CA 1.971 58.049 56.100 -0.037 0.000 0.967 660 R CB -0.792 29.496 30.300 -0.019 0.000 0.861 660 R HN 0.355 nan 8.270 nan 0.000 0.442 661 A N 0.196 123.049 122.820 0.055 0.000 1.898 661 A HA 0.012 4.337 4.320 0.008 0.000 0.216 661 A C 2.408 180.053 177.584 0.102 0.000 1.181 661 A CA 1.709 53.819 52.037 0.123 0.000 0.620 661 A CB -1.106 18.072 19.000 0.297 0.000 0.819 661 A HN 0.487 nan 8.150 nan 0.000 0.442 662 A N -0.082 122.811 122.820 0.122 0.000 1.940 662 A HA -0.194 4.131 4.320 0.008 0.000 0.219 662 A C 2.100 179.667 177.584 -0.028 0.000 1.176 662 A CA 1.906 54.011 52.037 0.113 0.000 0.631 662 A CB -0.450 18.650 19.000 0.168 0.000 0.814 662 A HN 0.570 nan 8.150 nan 0.000 0.446 663 K N -0.941 119.332 120.400 -0.213 0.000 2.032 663 K HA -0.147 4.178 4.320 0.008 0.000 0.209 663 K C 2.329 178.845 176.600 -0.140 0.000 1.048 663 K CA 1.851 57.866 56.287 -0.452 0.000 0.927 663 K CB -0.523 31.718 32.500 -0.432 0.000 0.712 663 K HN 0.646 nan 8.250 nan 0.000 0.441 664 T N 0.562 115.122 114.554 0.009 0.000 2.929 664 T HA -0.089 4.265 4.350 0.008 0.000 0.271 664 T C 1.819 176.561 174.700 0.070 0.000 1.085 664 T CA 0.681 62.839 62.100 0.097 0.000 1.125 664 T CB -0.095 68.821 68.868 0.079 0.000 0.874 664 T HN -0.036 nan 8.240 nan 0.000 0.494 665 I N 2.124 122.704 120.570 0.018 0.000 2.141 665 I HA -0.065 4.110 4.170 0.008 0.000 0.236 665 I C 2.562 178.694 176.117 0.026 0.000 1.071 665 I CA 1.130 62.421 61.300 -0.016 0.000 1.345 665 I CB -1.391 36.583 38.000 -0.043 0.000 1.066 665 I HN 0.331 nan 8.210 nan 0.000 0.406 666 N N 1.032 119.764 118.700 0.054 0.000 2.043 666 N HA -0.190 4.555 4.740 0.008 0.000 0.193 666 N C 2.039 177.599 175.510 0.084 0.000 1.037 666 N CA 1.561 54.673 53.050 0.104 0.000 0.851 666 N CB -0.613 37.920 38.487 0.075 0.000 1.027 666 N HN 0.329 nan 8.380 nan 0.000 0.422 667 F N 0.893 120.951 119.950 0.179 0.000 2.234 667 F HA -0.038 4.496 4.527 0.011 0.000 0.299 667 F C 2.536 178.447 175.800 0.185 0.000 1.087 667 F CA 0.368 58.482 58.000 0.191 0.000 1.340 667 F CB -0.326 38.836 39.000 0.269 0.000 1.031 667 F HN 0.113 nan 8.300 nan 0.000 0.500 668 G N 0.353 109.326 108.800 0.287 0.000 2.453 668 G HA2 -0.218 3.747 3.960 0.008 0.000 0.215 668 G HA3 -0.218 3.747 3.960 0.008 0.000 0.215 668 G C 1.707 176.696 174.900 0.149 0.000 1.201 668 G CA 1.123 46.345 45.100 0.204 0.000 0.784 668 G HN 0.162 nan 8.290 nan 0.000 0.545 669 V N 1.402 121.327 119.914 0.019 0.000 2.282 669 V HA -0.181 3.943 4.120 0.008 0.000 0.249 669 V C 2.702 178.803 176.094 0.010 0.000 1.057 669 V CA 1.708 63.969 62.300 -0.064 0.000 1.032 669 V CB -0.622 30.994 31.823 -0.345 0.000 0.645 669 V HN 0.367 nan 8.190 nan 0.000 0.447 670 L N -0.355 120.784 121.223 -0.140 0.000 2.012 670 L HA -0.201 4.143 4.340 0.008 0.000 0.210 670 L C 2.052 179.098 176.870 0.294 0.000 1.073 670 L CA 2.283 57.168 54.840 0.076 0.000 0.748 670 L CB -0.657 41.367 42.059 -0.059 0.000 0.891 670 L HN 0.414 nan 8.230 nan 0.000 0.431 671 Y N 0.232 120.784 120.300 0.419 0.000 2.496 671 Y HA 0.223 4.778 4.550 0.009 0.000 0.313 671 Y C 1.440 177.513 175.900 0.289 0.000 1.184 671 Y CA 0.138 58.456 58.100 0.362 0.000 1.275 671 Y CB -0.411 38.139 38.460 0.150 0.000 1.103 671 Y HN 0.483 nan 8.280 nan 0.000 0.513 672 G N 1.635 110.696 108.800 0.434 0.000 2.212 672 G HA2 -0.324 3.640 3.960 0.008 0.000 0.255 672 G HA3 -0.324 3.640 3.960 0.008 0.000 0.255 672 G C 0.102 175.116 174.900 0.190 0.000 1.062 672 G CA 0.134 45.412 45.100 0.296 0.000 0.815 672 G HN 0.473 nan 8.290 nan 0.000 0.497 673 M N 0.437 120.135 119.600 0.163 0.000 2.235 673 M HA 0.687 5.171 4.480 0.008 0.000 0.351 673 M C 0.841 177.197 176.300 0.094 0.000 1.178 673 M CA -0.037 55.330 55.300 0.112 0.000 1.143 673 M CB 1.159 33.810 32.600 0.086 0.000 1.530 673 M HN 0.789 nan 8.290 nan 0.000 0.461 674 S N 3.084 118.840 115.700 0.092 0.000 2.579 674 S HA 0.382 4.856 4.470 0.008 0.000 0.275 674 S C 1.156 175.795 174.600 0.064 0.000 1.345 674 S CA -0.339 57.922 58.200 0.101 0.000 1.031 674 S CB 1.016 64.311 63.200 0.160 0.000 0.892 674 S HN 0.937 nan 8.310 nan 0.000 0.529 675 A N 1.269 124.102 122.820 0.022 0.000 1.940 675 A HA -0.169 4.156 4.320 0.008 0.000 0.219 675 A C 2.038 179.590 177.584 -0.053 0.000 1.176 675 A CA 2.254 54.209 52.037 -0.136 0.000 0.631 675 A CB -1.597 17.134 19.000 -0.449 0.000 0.814 675 A HN 1.150 nan 8.150 nan 0.000 0.446 676 H N -0.032 119.124 119.070 0.143 0.000 2.290 676 H HA -0.158 4.403 4.556 0.008 0.000 0.298 676 H C 2.168 177.580 175.328 0.139 0.000 1.087 676 H CA 2.323 58.551 56.048 0.299 0.000 1.291 676 H CB -0.306 29.638 29.762 0.302 0.000 1.369 676 H HN 0.460 nan 8.280 nan 0.000 0.492 677 R N -0.013 120.328 120.500 -0.265 0.000 2.092 677 R HA -0.059 4.286 4.340 0.008 0.000 0.231 677 R C 2.566 178.771 176.300 -0.158 0.000 1.119 677 R CA 1.214 57.139 56.100 -0.292 0.000 0.970 677 R CB -0.338 29.896 30.300 -0.109 0.000 0.864 677 R HN 0.499 nan 8.270 nan 0.000 0.440 678 L N 0.907 122.073 121.223 -0.095 0.000 2.046 678 L HA -0.160 4.184 4.340 0.008 0.000 0.208 678 L C 2.350 179.161 176.870 -0.098 0.000 1.077 678 L CA 2.042 56.825 54.840 -0.095 0.000 0.747 678 L CB -0.447 41.561 42.059 -0.085 0.000 0.896 678 L HN 0.412 nan 8.230 nan 0.000 0.432 679 S N -0.990 114.669 115.700 -0.069 0.000 2.382 679 S HA -0.302 4.172 4.470 0.008 0.000 0.228 679 S C 1.828 176.407 174.600 -0.035 0.000 1.027 679 S CA 1.380 59.567 58.200 -0.022 0.000 0.991 679 S CB -0.371 62.877 63.200 0.080 0.000 0.823 679 S HN 0.458 nan 8.310 nan 0.000 0.469 680 Q N 1.268 121.025 119.800 -0.072 0.000 2.016 680 Q HA -0.035 4.309 4.340 0.008 0.000 0.200 680 Q C 2.181 178.139 176.000 -0.070 0.000 0.978 680 Q CA 1.913 57.673 55.803 -0.072 0.000 0.833 680 Q CB -0.537 28.119 28.738 -0.135 0.000 0.895 680 Q HN 0.590 nan 8.270 nan 0.000 0.427 681 E N -0.173 119.976 120.200 -0.084 0.000 2.070 681 E HA -0.135 4.219 4.350 0.008 0.000 0.197 681 E C 1.520 178.060 176.600 -0.100 0.000 1.004 681 E CA 1.231 57.585 56.400 -0.077 0.000 0.805 681 E CB -0.195 29.459 29.700 -0.076 0.000 0.744 681 E HN 0.380 nan 8.360 nan 0.000 0.451 682 L N -0.759 120.392 121.223 -0.120 0.000 2.599 682 L HA 0.188 4.533 4.340 0.008 0.000 0.230 682 L C 0.702 177.484 176.870 -0.148 0.000 1.141 682 L CA 0.295 55.044 54.840 -0.152 0.000 0.877 682 L CB -0.246 41.731 42.059 -0.137 0.000 1.009 682 L HN 0.184 nan 8.230 nan 0.000 0.447 683 A N 1.121 123.880 122.820 -0.101 0.000 2.791 683 A HA -0.218 4.106 4.320 0.008 0.000 0.292 683 A C 0.328 177.869 177.584 -0.072 0.000 1.487 683 A CA 1.315 53.304 52.037 -0.080 0.000 0.760 683 A CB -2.477 16.462 19.000 -0.102 0.000 1.031 683 A HN 0.584 nan 8.150 nan 0.000 0.503 684 I N -4.893 115.650 120.570 -0.045 0.000 3.145 684 I HA 0.861 5.036 4.170 0.008 0.000 0.313 684 I C -2.536 173.601 176.117 0.034 0.000 1.122 684 I CA -3.374 57.914 61.300 -0.020 0.000 0.987 684 I CB 1.198 39.184 38.000 -0.024 0.000 1.236 684 I HN -0.042 nan 8.210 nan 0.000 0.453 685 P HA -0.058 nan 4.420 nan 0.000 0.270 685 P C -0.240 177.143 177.300 0.139 0.000 1.221 685 P CA 0.269 63.429 63.100 0.101 0.000 0.788 685 P CB 0.246 32.000 31.700 0.091 0.000 0.904 686 Y N 1.271 121.608 120.300 0.062 0.000 2.242 686 Y HA -0.196 4.359 4.550 0.009 0.000 0.291 686 Y C 2.495 178.445 175.900 0.082 0.000 1.137 686 Y CA 2.445 60.591 58.100 0.077 0.000 1.181 686 Y CB -0.757 37.750 38.460 0.079 0.000 0.989 686 Y HN 0.430 nan 8.280 nan 0.000 0.527 687 E N 0.305 120.596 120.200 0.151 0.000 2.274 687 E HA -0.051 4.304 4.350 0.008 0.000 0.194 687 E C 1.851 178.481 176.600 0.049 0.000 0.996 687 E CA 1.262 57.710 56.400 0.080 0.000 0.840 687 E CB -1.170 28.609 29.700 0.131 0.000 0.772 687 E HN 0.743 nan 8.360 nan 0.000 0.491 688 E N 0.106 120.352 120.200 0.076 0.000 2.158 688 E HA 0.353 4.708 4.350 0.008 0.000 0.191 688 E C 2.371 179.057 176.600 0.144 0.000 0.982 688 E CA 1.285 57.761 56.400 0.127 0.000 0.823 688 E CB -0.576 29.206 29.700 0.137 0.000 0.766 688 E HN 0.793 nan 8.360 nan 0.000 0.468 689 A N -0.120 122.726 122.820 0.043 0.000 1.970 689 A HA -0.062 4.262 4.320 0.008 0.000 0.216 689 A C 2.276 179.862 177.584 0.004 0.000 1.170 689 A CA 1.586 53.635 52.037 0.018 0.000 0.645 689 A CB -0.169 18.777 19.000 -0.090 0.000 0.816 689 A HN 0.481 nan 8.150 nan 0.000 0.447 690 Q N -0.574 119.159 119.800 -0.111 0.000 2.084 690 Q HA -0.110 4.235 4.340 0.008 0.000 0.202 690 Q C 2.239 178.252 176.000 0.023 0.000 0.978 690 Q CA 1.453 57.197 55.803 -0.099 0.000 0.844 690 Q CB -0.291 28.354 28.738 -0.155 0.000 0.898 690 Q HN 0.659 nan 8.270 nan 0.000 0.426 691 A N -0.135 122.719 122.820 0.057 0.000 1.898 691 A HA -0.176 4.149 4.320 0.008 0.000 0.216 691 A C 1.810 179.434 177.584 0.067 0.000 1.181 691 A CA 0.992 53.068 52.037 0.065 0.000 0.620 691 A CB -0.854 18.194 19.000 0.080 0.000 0.819 691 A HN 0.563 nan 8.150 nan 0.000 0.442 692 F N 0.739 120.671 119.950 -0.030 0.000 2.095 692 F HA -0.196 4.335 4.527 0.006 0.000 0.298 692 F C 1.970 177.744 175.800 -0.042 0.000 1.104 692 F CA 1.977 59.918 58.000 -0.098 0.000 1.232 692 F CB -0.135 38.805 39.000 -0.101 0.000 0.987 692 F HN 0.181 nan 8.300 nan 0.000 0.475 693 I N 0.354 121.071 120.570 0.245 0.000 2.394 693 I HA -0.213 3.961 4.170 0.008 0.000 0.251 693 I C 2.749 178.996 176.117 0.217 0.000 1.136 693 I CA 1.335 62.775 61.300 0.232 0.000 1.425 693 I CB -1.153 36.972 38.000 0.208 0.000 1.079 693 I HN 0.370 nan 8.210 nan 0.000 0.425 694 E N 1.374 121.637 120.200 0.105 0.000 2.072 694 E HA -0.232 4.123 4.350 0.008 0.000 0.191 694 E C 2.532 179.149 176.600 0.028 0.000 0.985 694 E CA 1.819 58.265 56.400 0.076 0.000 0.801 694 E CB -0.962 28.755 29.700 0.029 0.000 0.750 694 E HN 0.591 nan 8.360 nan 0.000 0.452 695 R N -0.656 119.792 120.500 -0.087 0.000 2.073 695 R HA 0.011 4.355 4.340 0.008 0.000 0.229 695 R C 2.263 178.394 176.300 -0.281 0.000 1.120 695 R CA 1.625 57.599 56.100 -0.210 0.000 0.967 695 R CB -1.556 28.553 30.300 -0.318 0.000 0.862 695 R HN 0.679 nan 8.270 nan 0.000 0.436 696 Y N 0.471 120.492 120.300 -0.465 0.000 1.993 696 Y HA -0.314 4.242 4.550 0.009 0.000 0.267 696 Y C 2.169 177.777 175.900 -0.487 0.000 1.155 696 Y CA 2.834 60.608 58.100 -0.543 0.000 1.105 696 Y CB -0.532 37.614 38.460 -0.524 0.000 0.960 696 Y HN 0.265 nan 8.280 nan 0.000 0.486 697 F N -0.534 119.513 119.950 0.162 0.000 2.216 697 F HA -0.191 4.343 4.527 0.011 0.000 0.300 697 F C 2.875 178.632 175.800 -0.072 0.000 1.085 697 F CA 1.710 59.769 58.000 0.098 0.000 1.326 697 F CB -1.300 37.773 39.000 0.123 0.000 1.027 697 F HN 0.243 nan 8.300 nan 0.000 0.497 698 Q N 0.317 120.121 119.800 0.007 0.000 2.226 698 Q HA -0.112 4.232 4.340 0.008 0.000 0.204 698 Q C 2.312 178.165 176.000 -0.246 0.000 0.975 698 Q CA 1.786 57.539 55.803 -0.084 0.000 0.866 698 Q CB -1.607 27.074 28.738 -0.094 0.000 0.915 698 Q HN 0.573 nan 8.270 nan 0.000 0.440 699 S N -0.775 114.626 115.700 -0.499 0.000 2.428 699 S HA 0.311 4.785 4.470 0.008 0.000 0.230 699 S C 0.776 174.746 174.600 -1.050 0.000 1.014 699 S CA 0.850 58.507 58.200 -0.906 0.000 0.957 699 S CB 0.025 62.386 63.200 -1.398 0.000 0.784 699 S HN 0.588 nan 8.310 nan 0.000 0.499 700 F N 1.157 120.993 119.950 -0.189 0.000 2.584 700 F HA 0.293 4.822 4.527 0.003 0.000 0.328 700 F C -1.787 174.001 175.800 -0.020 0.000 1.407 700 F CA -1.841 56.075 58.000 -0.140 0.000 1.145 700 F CB 1.600 40.462 39.000 -0.230 0.000 1.440 700 F HN -0.062 nan 8.300 nan 0.000 0.580 701 P HA -0.276 nan 4.420 nan 0.000 0.218 701 P C 1.325 178.700 177.300 0.126 0.000 1.154 701 P CA 1.605 64.761 63.100 0.093 0.000 0.872 701 P CB 0.411 32.133 31.700 0.037 0.000 0.790 702 K N -0.439 120.038 120.400 0.130 0.000 2.365 702 K HA 0.013 4.338 4.320 0.008 0.000 0.199 702 K C 2.151 178.873 176.600 0.202 0.000 1.045 702 K CA 0.356 56.724 56.287 0.135 0.000 0.962 702 K CB -0.884 31.675 32.500 0.099 0.000 0.759 702 K HN 0.131 nan 8.250 nan 0.000 0.469 703 V N 1.484 121.540 119.914 0.237 0.000 2.261 703 V HA -0.304 3.821 4.120 0.008 0.000 0.246 703 V C 2.979 179.269 176.094 0.327 0.000 1.047 703 V CA 2.657 65.144 62.300 0.312 0.000 1.015 703 V CB -0.844 31.182 31.823 0.339 0.000 0.642 703 V HN 0.379 nan 8.190 nan 0.000 0.446 704 R N 0.050 120.714 120.500 0.273 0.000 2.096 704 R HA -0.036 4.309 4.340 0.008 0.000 0.235 704 R C 2.337 178.650 176.300 0.022 0.000 1.127 704 R CA 2.111 58.258 56.100 0.078 0.000 0.968 704 R CB -1.519 28.792 30.300 0.018 0.000 0.861 704 R HN 0.642 nan 8.270 nan 0.000 0.440 705 A N -0.258 122.609 122.820 0.079 0.000 1.865 705 A HA -0.168 4.157 4.320 0.008 0.000 0.217 705 A C 2.254 179.861 177.584 0.038 0.000 1.191 705 A CA 1.651 53.717 52.037 0.047 0.000 0.623 705 A CB -0.974 18.072 19.000 0.077 0.000 0.826 705 A HN 0.883 nan 8.150 nan 0.000 0.444 706 W N 0.697 121.986 121.300 -0.018 0.000 2.338 706 W HA -0.184 4.481 4.660 0.009 0.000 0.304 706 W C 1.797 178.288 176.519 -0.047 0.000 1.212 706 W CA 1.899 59.233 57.345 -0.019 0.000 1.264 706 W CB -0.300 29.162 29.460 0.003 0.000 1.142 706 W HN 0.329 nan 8.180 nan 0.000 0.512 707 I N 0.579 120.982 120.570 -0.278 0.000 2.099 707 I HA -0.354 3.820 4.170 0.008 0.000 0.239 707 I C 2.363 178.174 176.117 -0.510 0.000 1.066 707 I CA 2.152 63.093 61.300 -0.598 0.000 1.324 707 I CB -0.851 36.813 38.000 -0.559 0.000 1.037 707 I HN 0.002 nan 8.210 nan 0.000 0.401 708 E N 0.845 120.855 120.200 -0.318 0.000 2.097 708 E HA -0.304 4.050 4.350 0.008 0.000 0.196 708 E C 2.455 178.914 176.600 -0.235 0.000 1.000 708 E CA 2.054 58.317 56.400 -0.228 0.000 0.804 708 E CB -0.259 29.351 29.700 -0.151 0.000 0.740 708 E HN 0.535 nan 8.360 nan 0.000 0.454 709 K N 0.600 120.835 120.400 -0.274 0.000 2.155 709 K HA -0.072 4.253 4.320 0.008 0.000 0.203 709 K C 2.111 178.523 176.600 -0.313 0.000 1.052 709 K CA 1.678 57.820 56.287 -0.242 0.000 0.948 709 K CB -1.134 31.253 32.500 -0.188 0.000 0.728 709 K HN 0.077 nan 8.250 nan 0.000 0.448 710 T N 1.138 115.376 114.554 -0.526 0.000 2.777 710 T HA -0.042 4.313 4.350 0.008 0.000 0.266 710 T C 1.880 176.411 174.700 -0.282 0.000 1.040 710 T CA 1.087 62.892 62.100 -0.493 0.000 1.141 710 T CB -0.169 68.184 68.868 -0.859 0.000 0.868 710 T HN 0.184 nan 8.240 nan 0.000 0.444 711 L N 1.412 122.485 121.223 -0.249 0.000 2.046 711 L HA 0.002 4.346 4.340 0.008 0.000 0.208 711 L C 2.603 179.402 176.870 -0.119 0.000 1.077 711 L CA 1.560 56.321 54.840 -0.131 0.000 0.747 711 L CB -0.775 41.227 42.059 -0.095 0.000 0.896 711 L HN 0.181 nan 8.230 nan 0.000 0.432 712 E N 0.385 120.505 120.200 -0.135 0.000 2.051 712 E HA -0.256 4.099 4.350 0.008 0.000 0.192 712 E C 1.962 178.493 176.600 -0.116 0.000 0.991 712 E CA 1.646 57.981 56.400 -0.109 0.000 0.799 712 E CB 0.060 29.697 29.700 -0.104 0.000 0.748 712 E HN 0.763 nan 8.360 nan 0.000 0.449 713 E N -0.850 119.265 120.200 -0.143 0.000 2.274 713 E HA -0.048 4.306 4.350 0.008 0.000 0.194 713 E C 2.048 178.526 176.600 -0.205 0.000 0.996 713 E CA 1.015 57.318 56.400 -0.162 0.000 0.840 713 E CB -0.498 29.101 29.700 -0.168 0.000 0.772 713 E HN 0.216 nan 8.360 nan 0.000 0.491 714 G N 1.250 109.942 108.800 -0.180 0.000 2.421 714 G HA2 -0.267 3.698 3.960 0.008 0.000 0.216 714 G HA3 -0.267 3.698 3.960 0.008 0.000 0.216 714 G C 1.709 176.531 174.900 -0.130 0.000 1.171 714 G CA 0.775 45.771 45.100 -0.173 0.000 0.775 714 G HN 0.119 nan 8.290 nan 0.000 0.543 715 R N 0.042 120.486 120.500 -0.093 0.000 2.070 715 R HA 0.054 4.399 4.340 0.008 0.000 0.233 715 R C 3.174 179.438 176.300 -0.060 0.000 1.137 715 R CA 2.144 58.209 56.100 -0.058 0.000 0.945 715 R CB -0.604 29.668 30.300 -0.047 0.000 0.845 715 R HN 0.330 nan 8.270 nan 0.000 0.430 716 R N 0.854 121.306 120.500 -0.080 0.000 2.081 716 R HA -0.068 4.277 4.340 0.008 0.000 0.235 716 R C 2.152 178.404 176.300 -0.080 0.000 1.131 716 R CA 2.033 58.090 56.100 -0.070 0.000 0.960 716 R CB -0.990 29.264 30.300 -0.076 0.000 0.856 716 R HN 0.284 nan 8.270 nan 0.000 0.436 717 R N -2.055 118.349 120.500 -0.159 0.000 2.254 717 R HA 0.129 4.474 4.340 0.008 0.000 0.195 717 R C 1.462 177.679 176.300 -0.138 0.000 0.957 717 R CA 1.025 56.990 56.100 -0.224 0.000 1.024 717 R CB 0.308 30.299 30.300 -0.514 0.000 0.952 717 R HN 0.635 nan 8.270 nan 0.000 0.484 718 G N -0.693 108.051 108.800 -0.095 0.000 2.217 718 G HA2 -0.319 3.646 3.960 0.008 0.000 0.246 718 G HA3 -0.319 3.646 3.960 0.008 0.000 0.246 718 G C -0.204 174.736 174.900 0.067 0.000 0.990 718 G CA 0.631 45.782 45.100 0.084 0.000 0.627 718 G HN 0.469 nan 8.290 nan 0.000 0.522 719 Y N -1.288 118.905 120.300 -0.178 0.000 2.625 719 Y HA 0.767 5.321 4.550 0.007 0.000 0.338 719 Y C -0.150 175.626 175.900 -0.205 0.000 1.123 719 Y CA -1.272 56.623 58.100 -0.342 0.000 1.046 719 Y CB 1.030 38.964 38.460 -0.876 0.000 1.299 719 Y HN 0.849 nan 8.280 nan 0.000 0.464 720 V N -0.838 119.076 119.914 0.000 0.000 2.994 720 V HA 0.915 5.040 4.120 0.008 0.000 0.318 720 V C -0.829 175.354 176.094 0.148 0.000 1.085 720 V CA -0.926 61.380 62.300 0.010 0.000 0.998 720 V CB 1.624 33.457 31.823 0.017 0.000 1.063 720 V HN 1.073 nan 8.190 nan 0.000 0.447 721 E N 0.315 120.595 120.200 0.134 0.000 2.446 721 E HA 0.651 5.005 4.350 0.008 0.000 0.276 721 E C -0.773 175.899 176.600 0.119 0.000 0.969 721 E CA -0.756 55.725 56.400 0.135 0.000 0.800 721 E CB 2.011 31.819 29.700 0.180 0.000 1.341 721 E HN 0.875 nan 8.360 nan 0.000 0.460 722 T N -1.242 113.358 114.554 0.076 0.000 2.849 722 T HA 0.188 4.542 4.350 0.008 0.000 0.276 722 T C 1.078 175.798 174.700 0.033 0.000 0.971 722 T CA -0.757 61.361 62.100 0.031 0.000 0.949 722 T CB 0.864 69.701 68.868 -0.052 0.000 1.093 722 T HN 0.459 nan 8.240 nan 0.000 0.545 723 L N -0.024 121.166 121.223 -0.054 0.000 2.043 723 L HA 0.051 4.396 4.340 0.008 0.000 0.212 723 L C 1.972 178.929 176.870 0.145 0.000 1.075 723 L CA 1.732 56.569 54.840 -0.004 0.000 0.752 723 L CB -1.068 40.893 42.059 -0.162 0.000 0.891 723 L HN 0.795 nan 8.230 nan 0.000 0.432 724 F N -0.678 119.197 119.950 -0.125 0.000 2.811 724 F HA 0.227 4.759 4.527 0.008 0.000 0.301 724 F C 1.651 177.420 175.800 -0.051 0.000 1.151 724 F CA 0.019 57.925 58.000 -0.156 0.000 1.412 724 F CB -0.208 38.737 39.000 -0.091 0.000 1.113 724 F HN 0.342 nan 8.300 nan 0.000 0.579 725 G N 1.936 110.830 108.800 0.157 0.000 2.149 725 G HA2 -0.316 3.648 3.960 0.008 0.000 0.235 725 G HA3 -0.316 3.648 3.960 0.008 0.000 0.235 725 G C 0.120 175.071 174.900 0.085 0.000 1.018 725 G CA -0.438 44.730 45.100 0.113 0.000 0.728 725 G HN 0.409 nan 8.290 nan 0.000 0.508 726 R N 0.621 121.167 120.500 0.077 0.000 2.347 726 R HA 0.448 4.792 4.340 0.008 0.000 0.304 726 R C 1.056 177.343 176.300 -0.022 0.000 1.072 726 R CA -0.335 55.778 56.100 0.022 0.000 0.980 726 R CB 0.310 30.618 30.300 0.013 0.000 0.986 726 R HN 0.593 nan 8.270 nan 0.000 0.448 727 R N 3.484 123.923 120.500 -0.102 0.000 2.668 727 R HA 0.471 4.815 4.340 0.008 0.000 0.279 727 R C -0.833 175.364 176.300 -0.172 0.000 0.976 727 R CA -0.997 55.006 56.100 -0.162 0.000 0.978 727 R CB 1.630 31.630 30.300 -0.501 0.000 1.133 727 R HN 0.501 nan 8.270 nan 0.000 0.484 728 R N 2.336 122.752 120.500 -0.141 0.000 2.532 728 R HA 0.241 4.586 4.340 0.008 0.000 0.297 728 R C -1.504 174.724 176.300 -0.120 0.000 0.984 728 R CA -0.710 55.344 56.100 -0.077 0.000 0.884 728 R CB 1.291 31.580 30.300 -0.018 0.000 1.182 728 R HN 0.677 nan 8.270 nan 0.000 0.442 729 Y N 2.945 123.286 120.300 0.069 0.000 2.359 729 Y HA 0.237 4.791 4.550 0.008 0.000 0.334 729 Y C 0.230 176.169 175.900 0.065 0.000 1.058 729 Y CA -0.202 57.960 58.100 0.102 0.000 1.244 729 Y CB 1.715 40.216 38.460 0.068 0.000 1.187 729 Y HN 0.217 nan 8.280 nan 0.000 0.510 730 V N 6.272 126.275 119.914 0.148 0.000 2.320 730 V HA 0.130 4.255 4.120 0.008 0.000 0.257 730 V C -1.687 174.457 176.094 0.083 0.000 0.996 730 V CA -1.219 61.135 62.300 0.090 0.000 0.928 730 V CB 0.794 32.640 31.823 0.038 0.000 1.169 730 V HN 0.700 nan 8.190 nan 0.000 0.475 731 P HA -0.149 nan 4.420 nan 0.000 0.216 731 P C 0.679 178.006 177.300 0.045 0.000 1.150 731 P CA 1.184 64.331 63.100 0.078 0.000 0.837 731 P CB 0.465 32.210 31.700 0.075 0.000 0.786 732 D N -0.418 120.005 120.400 0.038 0.000 2.379 732 D HA 0.003 4.647 4.640 0.008 0.000 0.243 732 D C 1.726 178.038 176.300 0.020 0.000 1.088 732 D CA 0.309 54.324 54.000 0.025 0.000 0.925 732 D CB -0.661 40.152 40.800 0.021 0.000 0.888 732 D HN 0.267 nan 8.370 nan 0.000 0.529 733 L N -0.135 121.099 121.223 0.019 0.000 2.478 733 L HA -0.004 4.340 4.340 0.008 0.000 0.223 733 L C 1.188 178.061 176.870 0.006 0.000 1.140 733 L CA 0.872 55.718 54.840 0.011 0.000 0.842 733 L CB 0.111 42.171 42.059 0.001 0.000 0.953 733 L HN -0.072 nan 8.230 nan 0.000 0.452 734 E N -0.186 120.020 120.200 0.009 0.000 2.789 734 E HA 0.253 4.608 4.350 0.008 0.000 0.208 734 E C 0.237 176.841 176.600 0.008 0.000 0.988 734 E CA -0.379 56.025 56.400 0.006 0.000 1.092 734 E CB 0.787 30.490 29.700 0.005 0.000 1.066 734 E HN 0.275 nan 8.360 nan 0.000 0.465 735 A N 0.995 123.821 122.820 0.010 0.000 2.366 735 A HA 0.194 4.518 4.320 0.008 0.000 0.249 735 A C 0.955 178.544 177.584 0.007 0.000 1.084 735 A CA -0.203 51.839 52.037 0.010 0.000 0.794 735 A CB 0.427 19.434 19.000 0.011 0.000 1.034 735 A HN 0.158 nan 8.150 nan 0.000 0.491 736 R N 0.727 121.230 120.500 0.006 0.000 2.388 736 R HA 0.160 4.505 4.340 0.008 0.000 0.247 736 R C -0.712 175.591 176.300 0.005 0.000 0.931 736 R CA 0.203 56.306 56.100 0.004 0.000 1.082 736 R CB -0.298 30.004 30.300 0.003 0.000 1.135 736 R HN 0.358 nan 8.270 nan 0.000 0.525 737 V N 2.592 122.510 119.914 0.007 0.000 2.293 737 V HA 0.127 4.252 4.120 0.008 0.000 0.275 737 V C 1.504 177.604 176.094 0.010 0.000 1.021 737 V CA -0.693 61.611 62.300 0.007 0.000 0.815 737 V CB 1.737 33.564 31.823 0.007 0.000 1.025 737 V HN 0.064 nan 8.190 nan 0.000 0.448 738 K N 2.636 123.042 120.400 0.009 0.000 2.127 738 K HA -0.255 4.070 4.320 0.008 0.000 0.212 738 K C 2.197 178.807 176.600 0.016 0.000 1.050 738 K CA 2.524 58.819 56.287 0.012 0.000 0.929 738 K CB -0.135 32.372 32.500 0.012 0.000 0.715 738 K HN 0.649 nan 8.250 nan 0.000 0.457 739 S N -0.109 115.600 115.700 0.016 0.000 2.351 739 S HA -0.133 4.342 4.470 0.008 0.000 0.220 739 S C 2.112 176.723 174.600 0.018 0.000 1.035 739 S CA 1.819 60.030 58.200 0.018 0.000 1.031 739 S CB -0.315 62.894 63.200 0.015 0.000 0.928 739 S HN 0.209 nan 8.310 nan 0.000 0.433 740 V N 2.330 122.252 119.914 0.014 0.000 2.295 740 V HA -0.131 3.994 4.120 0.008 0.000 0.246 740 V C 2.714 178.817 176.094 0.015 0.000 1.049 740 V CA 2.254 64.562 62.300 0.013 0.000 1.024 740 V CB -0.849 30.981 31.823 0.012 0.000 0.648 740 V HN 0.478 nan 8.190 nan 0.000 0.447 741 R N 0.323 120.832 120.500 0.015 0.000 2.082 741 R HA -0.212 4.133 4.340 0.008 0.000 0.234 741 R C 2.278 178.592 176.300 0.024 0.000 1.136 741 R CA 2.196 58.307 56.100 0.017 0.000 0.935 741 R CB -0.316 29.992 30.300 0.014 0.000 0.842 741 R HN 0.616 nan 8.270 nan 0.000 0.430 742 E N -0.476 119.741 120.200 0.028 0.000 2.333 742 E HA -0.163 4.192 4.350 0.008 0.000 0.198 742 E C 1.646 178.270 176.600 0.040 0.000 1.007 742 E CA 0.825 57.251 56.400 0.043 0.000 0.845 742 E CB 0.036 29.763 29.700 0.046 0.000 0.766 742 E HN 0.481 nan 8.360 nan 0.000 0.507 743 A N 1.222 124.056 122.820 0.023 0.000 1.975 743 A HA 0.167 4.492 4.320 0.008 0.000 0.215 743 A C 2.332 179.911 177.584 -0.008 0.000 1.170 743 A CA 0.973 53.015 52.037 0.008 0.000 0.656 743 A CB -0.154 18.850 19.000 0.008 0.000 0.821 743 A HN 0.258 nan 8.150 nan 0.000 0.449 744 A N 0.412 123.234 122.820 0.003 0.000 1.898 744 A HA -0.128 4.196 4.320 0.008 0.000 0.216 744 A C 1.860 179.441 177.584 -0.004 0.000 1.181 744 A CA 1.466 53.502 52.037 -0.001 0.000 0.620 744 A CB -0.516 18.491 19.000 0.011 0.000 0.819 744 A HN 0.599 nan 8.150 nan 0.000 0.442 745 E N -0.157 120.058 120.200 0.025 0.000 2.058 745 E HA -0.238 4.116 4.350 0.008 0.000 0.194 745 E C 2.283 178.899 176.600 0.026 0.000 0.997 745 E CA 1.315 57.760 56.400 0.075 0.000 0.801 745 E CB -0.279 29.496 29.700 0.125 0.000 0.746 745 E HN 0.532 nan 8.360 nan 0.000 0.450 746 R N 0.284 120.742 120.500 -0.071 0.000 2.081 746 R HA -0.099 4.246 4.340 0.008 0.000 0.235 746 R C 2.484 178.512 176.300 -0.453 0.000 1.131 746 R CA 1.560 57.436 56.100 -0.373 0.000 0.960 746 R CB -0.269 29.925 30.300 -0.177 0.000 0.856 746 R HN 0.229 nan 8.270 nan 0.000 0.436 747 M N -0.061 119.405 119.600 -0.222 0.000 2.117 747 M HA -0.141 4.344 4.480 0.008 0.000 0.262 747 M C 2.572 178.777 176.300 -0.159 0.000 1.065 747 M CA 1.797 56.988 55.300 -0.181 0.000 1.114 747 M CB -0.406 32.140 32.600 -0.091 0.000 1.361 747 M HN 0.223 nan 8.290 nan 0.000 0.408 748 A N 1.030 123.792 122.820 -0.096 0.000 1.883 748 A HA -0.184 4.140 4.320 0.008 0.000 0.217 748 A C 1.843 179.459 177.584 0.054 0.000 1.186 748 A CA 1.884 53.912 52.037 -0.015 0.000 0.624 748 A CB -1.068 17.944 19.000 0.021 0.000 0.822 748 A HN 0.664 nan 8.150 nan 0.000 0.444 749 F N -0.024 119.953 119.950 0.044 0.000 2.780 749 F HA 0.168 4.699 4.527 0.007 0.000 0.299 749 F C 1.377 177.360 175.800 0.306 0.000 1.146 749 F CA 0.584 58.650 58.000 0.109 0.000 1.428 749 F CB -0.562 38.456 39.000 0.029 0.000 1.115 749 F HN 0.273 nan 8.300 nan 0.000 0.583 750 N N 0.827 119.485 118.700 -0.070 0.000 2.333 750 N HA -0.134 4.610 4.740 0.008 0.000 0.178 750 N C 1.843 177.344 175.510 -0.014 0.000 1.018 750 N CA 0.883 53.864 53.050 -0.116 0.000 0.882 750 N CB -0.203 37.905 38.487 -0.631 0.000 0.984 750 N HN 0.375 nan 8.380 nan 0.000 0.434 751 M N 1.598 121.198 119.600 -0.000 0.000 2.073 751 M HA -0.096 4.388 4.480 0.008 0.000 0.258 751 M C -1.032 175.314 176.300 0.076 0.000 1.070 751 M CA 1.783 57.092 55.300 0.015 0.000 1.103 751 M CB -1.829 30.779 32.600 0.014 0.000 1.321 751 M HN -0.030 nan 8.290 nan 0.000 0.405 752 P HA -0.123 nan 4.420 nan 0.000 0.216 752 P C 1.719 179.089 177.300 0.117 0.000 1.150 752 P CA 1.443 64.668 63.100 0.208 0.000 0.837 752 P CB -0.094 31.879 31.700 0.455 0.000 0.786 753 V N -0.399 119.613 119.914 0.164 0.000 2.239 753 V HA -0.233 3.891 4.120 0.008 0.000 0.242 753 V C 2.632 178.725 176.094 -0.002 0.000 1.038 753 V CA 1.797 64.139 62.300 0.071 0.000 1.002 753 V CB -1.492 30.466 31.823 0.226 0.000 0.641 753 V HN 0.104 nan 8.190 nan 0.000 0.449 754 Q N 0.383 120.174 119.800 -0.015 0.000 2.170 754 Q HA -0.150 4.194 4.340 0.008 0.000 0.203 754 Q C 2.177 178.140 176.000 -0.062 0.000 0.976 754 Q CA 1.877 57.633 55.803 -0.077 0.000 0.858 754 Q CB -0.405 28.248 28.738 -0.142 0.000 0.907 754 Q HN 0.685 nan 8.270 nan 0.000 0.433 755 G N -0.731 108.042 108.800 -0.045 0.000 2.403 755 G HA2 -0.183 3.782 3.960 0.008 0.000 0.216 755 G HA3 -0.183 3.782 3.960 0.008 0.000 0.216 755 G C 1.318 176.152 174.900 -0.109 0.000 1.154 755 G CA 1.088 46.159 45.100 -0.048 0.000 0.784 755 G HN 0.320 nan 8.290 nan 0.000 0.538 756 T N 1.542 116.007 114.554 -0.148 0.000 2.777 756 T HA 0.060 4.414 4.350 0.008 0.000 0.266 756 T C 2.825 177.343 174.700 -0.303 0.000 1.040 756 T CA 1.352 63.280 62.100 -0.287 0.000 1.141 756 T CB -0.293 68.419 68.868 -0.260 0.000 0.868 756 T HN 0.341 nan 8.240 nan 0.000 0.444 757 A N 1.375 124.073 122.820 -0.204 0.000 1.933 757 A HA 0.130 4.455 4.320 0.008 0.000 0.218 757 A C 2.598 180.102 177.584 -0.134 0.000 1.175 757 A CA 1.837 53.759 52.037 -0.193 0.000 0.628 757 A CB -0.996 17.927 19.000 -0.128 0.000 0.814 757 A HN 0.504 nan 8.150 nan 0.000 0.444 758 A N 0.030 122.802 122.820 -0.081 0.000 1.898 758 A HA -0.155 4.169 4.320 0.008 0.000 0.216 758 A C 1.776 179.346 177.584 -0.023 0.000 1.181 758 A CA 1.771 53.802 52.037 -0.010 0.000 0.620 758 A CB -0.530 18.490 19.000 0.032 0.000 0.819 758 A HN 0.462 nan 8.150 nan 0.000 0.442 759 D N -0.028 120.307 120.400 -0.108 0.000 2.097 759 D HA -0.127 4.517 4.640 0.008 0.000 0.195 759 D C 1.825 178.098 176.300 -0.045 0.000 0.989 759 D CA 1.044 54.989 54.000 -0.091 0.000 0.827 759 D CB -0.393 40.177 40.800 -0.384 0.000 0.966 759 D HN 0.253 nan 8.370 nan 0.000 0.456 760 L N 0.336 121.444 121.223 -0.192 0.000 1.990 760 L HA -0.174 4.170 4.340 0.008 0.000 0.213 760 L C 2.429 179.327 176.870 0.047 0.000 1.072 760 L CA 1.342 56.126 54.840 -0.093 0.000 0.755 760 L CB -0.913 40.989 42.059 -0.262 0.000 0.889 760 L HN 0.066 nan 8.230 nan 0.000 0.432 761 M N -0.880 118.749 119.600 0.049 0.000 2.213 761 M HA -0.184 4.300 4.480 0.008 0.000 0.263 761 M C 2.113 178.479 176.300 0.111 0.000 1.062 761 M CA 1.702 57.094 55.300 0.154 0.000 1.105 761 M CB -0.304 32.384 32.600 0.146 0.000 1.385 761 M HN 0.068 nan 8.290 nan 0.000 0.417 762 K N -0.542 119.910 120.400 0.086 0.000 2.103 762 K HA -0.080 4.245 4.320 0.008 0.000 0.204 762 K C 2.036 178.691 176.600 0.091 0.000 1.052 762 K CA 1.276 57.608 56.287 0.074 0.000 0.945 762 K CB -0.351 32.199 32.500 0.083 0.000 0.722 762 K HN 0.392 nan 8.250 nan 0.000 0.443 763 L N 0.589 121.902 121.223 0.149 0.000 2.056 763 L HA -0.130 4.214 4.340 0.008 0.000 0.207 763 L C 2.349 179.307 176.870 0.146 0.000 1.078 763 L CA 1.033 55.974 54.840 0.168 0.000 0.749 763 L CB -0.334 41.904 42.059 0.298 0.000 0.901 763 L HN 0.160 nan 8.230 nan 0.000 0.433 764 A N -0.110 122.808 122.820 0.163 0.000 1.940 764 A HA -0.269 4.055 4.320 0.008 0.000 0.219 764 A C 2.165 179.816 177.584 0.111 0.000 1.176 764 A CA 2.028 54.160 52.037 0.158 0.000 0.631 764 A CB -0.469 18.662 19.000 0.218 0.000 0.814 764 A HN 0.502 nan 8.150 nan 0.000 0.446 765 M N -0.927 118.725 119.600 0.087 0.000 2.254 765 M HA -0.087 4.397 4.480 0.008 0.000 0.265 765 M C 1.985 178.333 176.300 0.081 0.000 1.066 765 M CA 1.050 56.386 55.300 0.060 0.000 1.123 765 M CB -0.278 32.322 32.600 0.000 0.000 1.388 765 M HN 0.229 nan 8.290 nan 0.000 0.425 766 V N 0.544 120.496 119.914 0.063 0.000 2.427 766 V HA -0.225 3.900 4.120 0.008 0.000 0.248 766 V C 2.167 178.317 176.094 0.093 0.000 1.051 766 V CA 1.680 64.015 62.300 0.058 0.000 1.048 766 V CB -0.585 31.245 31.823 0.012 0.000 0.666 766 V HN 0.438 nan 8.190 nan 0.000 0.456 767 K N -0.445 120.008 120.400 0.089 0.000 2.076 767 K HA -0.052 4.273 4.320 0.008 0.000 0.204 767 K C 2.075 178.721 176.600 0.076 0.000 1.051 767 K CA 0.997 57.332 56.287 0.080 0.000 0.949 767 K CB -0.255 32.296 32.500 0.085 0.000 0.726 767 K HN 0.254 nan 8.250 nan 0.000 0.443 768 L N 0.772 122.047 121.223 0.087 0.000 2.056 768 L HA -0.090 4.255 4.340 0.008 0.000 0.207 768 L C 2.006 178.913 176.870 0.062 0.000 1.078 768 L CA 1.397 56.275 54.840 0.063 0.000 0.749 768 L CB -0.581 41.512 42.059 0.058 0.000 0.901 768 L HN 0.046 nan 8.230 nan 0.000 0.433 769 F N 2.026 121.964 119.950 -0.020 0.000 2.063 769 F HA -0.194 4.337 4.527 0.007 0.000 0.298 769 F C -0.495 175.284 175.800 -0.036 0.000 1.109 769 F CA 2.510 60.492 58.000 -0.030 0.000 1.212 769 F CB -1.753 37.233 39.000 -0.023 0.000 0.973 769 F HN 0.211 nan 8.300 nan 0.000 0.480 770 P HA -0.205 nan 4.420 nan 0.000 0.216 770 P C 1.310 178.479 177.300 -0.219 0.000 1.153 770 P CA 1.614 64.589 63.100 -0.209 0.000 0.848 770 P CB -0.264 31.417 31.700 -0.032 0.000 0.787 771 R N -0.118 120.303 120.500 -0.132 0.000 2.127 771 R HA -0.020 4.325 4.340 0.008 0.000 0.238 771 R C 2.590 178.803 176.300 -0.146 0.000 1.134 771 R CA 0.898 56.934 56.100 -0.108 0.000 0.975 771 R CB -1.531 28.735 30.300 -0.057 0.000 0.865 771 R HN 0.359 nan 8.270 nan 0.000 0.447 772 L N 0.682 121.785 121.223 -0.200 0.000 2.109 772 L HA -0.092 4.252 4.340 0.008 0.000 0.207 772 L C 2.402 179.120 176.870 -0.254 0.000 1.086 772 L CA 0.951 55.674 54.840 -0.195 0.000 0.760 772 L CB -0.405 41.546 42.059 -0.180 0.000 0.910 772 L HN 0.078 nan 8.230 nan 0.000 0.437 773 E N 0.625 120.574 120.200 -0.419 0.000 2.038 773 E HA -0.271 4.083 4.350 0.008 0.000 0.195 773 E C 2.350 178.823 176.600 -0.212 0.000 1.000 773 E CA 1.906 58.077 56.400 -0.383 0.000 0.803 773 E CB -0.210 29.208 29.700 -0.471 0.000 0.750 773 E HN 0.631 nan 8.360 nan 0.000 0.448 774 E N 1.007 121.098 120.200 -0.182 0.000 2.160 774 E HA -0.116 4.239 4.350 0.008 0.000 0.195 774 E C 1.858 178.397 176.600 -0.102 0.000 0.991 774 E CA 1.586 57.913 56.400 -0.120 0.000 0.810 774 E CB -0.663 28.977 29.700 -0.101 0.000 0.742 774 E HN 0.242 nan 8.360 nan 0.000 0.466 775 M N -0.898 118.638 119.600 -0.107 0.000 2.561 775 M HA 0.301 4.785 4.480 0.008 0.000 0.238 775 M C 1.694 177.939 176.300 -0.092 0.000 1.131 775 M CA 0.605 55.850 55.300 -0.092 0.000 1.046 775 M CB 0.663 33.212 32.600 -0.084 0.000 1.532 775 M HN 0.489 nan 8.290 nan 0.000 0.497 776 G N 1.279 110.028 108.800 -0.085 0.000 2.153 776 G HA2 -0.225 3.740 3.960 0.008 0.000 0.252 776 G HA3 -0.225 3.740 3.960 0.008 0.000 0.252 776 G C 0.054 174.963 174.900 0.016 0.000 0.994 776 G CA 0.256 45.326 45.100 -0.049 0.000 0.698 776 G HN 0.673 nan 8.290 nan 0.000 0.521 777 A N -0.234 122.589 122.820 0.006 0.000 2.306 777 A HA 0.922 5.247 4.320 0.008 0.000 0.330 777 A C 0.494 178.121 177.584 0.072 0.000 1.146 777 A CA 0.005 52.103 52.037 0.102 0.000 0.827 777 A CB 0.738 19.757 19.000 0.031 0.000 1.178 777 A HN 1.120 nan 8.150 nan 0.000 0.490 778 R N 1.358 121.936 120.500 0.130 0.000 2.778 778 R HA 0.737 5.082 4.340 0.008 0.000 0.277 778 R C -0.769 175.561 176.300 0.049 0.000 0.977 778 R CA -0.761 55.374 56.100 0.058 0.000 0.950 778 R CB 1.430 31.744 30.300 0.023 0.000 1.165 778 R HN 0.672 nan 8.270 nan 0.000 0.474 779 M N 4.134 123.790 119.600 0.093 0.000 2.129 779 M HA 0.221 4.705 4.480 0.008 0.000 0.348 779 M C -0.634 175.666 176.300 -0.001 0.000 1.116 779 M CA -0.461 54.874 55.300 0.058 0.000 1.022 779 M CB 1.144 33.831 32.600 0.145 0.000 1.599 779 M HN 0.821 nan 8.290 nan 0.000 0.449 780 L N 4.779 125.961 121.223 -0.068 0.000 2.356 780 L HA 0.347 4.692 4.340 0.008 0.000 0.193 780 L C -0.136 176.682 176.870 -0.086 0.000 1.087 780 L CA 0.305 55.096 54.840 -0.081 0.000 0.817 780 L CB 0.079 42.063 42.059 -0.124 0.000 1.035 780 L HN 0.572 nan 8.230 nan 0.000 0.482 781 L N -0.275 120.851 121.223 -0.162 0.000 2.388 781 L HA 0.483 4.828 4.340 0.008 0.000 0.264 781 L C -0.803 175.938 176.870 -0.215 0.000 0.998 781 L CA -0.444 54.317 54.840 -0.131 0.000 0.817 781 L CB 2.190 44.169 42.059 -0.132 0.000 1.338 781 L HN 0.034 nan 8.230 nan 0.000 0.414 782 Q N 1.732 121.369 119.800 -0.272 0.000 2.330 782 Q HA 0.485 4.830 4.340 0.008 0.000 0.269 782 Q C -1.617 174.344 176.000 -0.066 0.000 1.022 782 Q CA -0.464 55.215 55.803 -0.206 0.000 0.796 782 Q CB 2.533 31.072 28.738 -0.331 0.000 1.271 782 Q HN 0.539 nan 8.270 nan 0.000 0.450 783 V N 5.500 125.397 119.914 -0.029 0.000 2.454 783 V HA 0.194 4.319 4.120 0.008 0.000 0.255 783 V C -0.117 175.951 176.094 -0.044 0.000 1.009 783 V CA -0.256 62.021 62.300 -0.038 0.000 1.149 783 V CB -0.513 31.433 31.823 0.205 0.000 1.418 783 V HN 1.086 nan 8.190 nan 0.000 0.567 784 H N 0.979 120.123 119.070 0.123 0.000 4.955 784 H HA -0.251 4.310 4.556 0.007 0.000 0.059 784 H C 1.258 176.653 175.328 0.112 0.000 0.580 784 H CA 2.137 58.245 56.048 0.100 0.000 0.969 784 H CB -0.677 29.135 29.762 0.083 0.000 0.469 784 H HN 0.743 nan 8.280 nan 0.000 0.792 785 D N 0.764 121.310 120.400 0.243 0.000 2.620 785 D HA 0.177 4.822 4.640 0.008 0.000 0.260 785 D C -0.079 176.360 176.300 0.231 0.000 1.367 785 D CA 0.172 54.343 54.000 0.284 0.000 0.805 785 D CB 0.447 41.421 40.800 0.291 0.000 1.096 785 D HN 0.655 nan 8.370 nan 0.000 0.488 786 E N 0.564 120.851 120.200 0.145 0.000 2.293 786 E HA 0.563 4.918 4.350 0.008 0.000 0.270 786 E C -1.469 175.150 176.600 0.031 0.000 0.879 786 E CA -0.802 55.652 56.400 0.089 0.000 0.756 786 E CB 2.017 31.809 29.700 0.154 0.000 1.208 786 E HN 0.044 nan 8.360 nan 0.000 0.428 787 L N 3.138 124.351 121.223 -0.016 0.000 2.381 787 L HA 0.566 4.910 4.340 0.008 0.000 0.268 787 L C -1.024 175.790 176.870 -0.093 0.000 0.997 787 L CA -1.187 53.614 54.840 -0.065 0.000 0.818 787 L CB 2.201 44.218 42.059 -0.069 0.000 1.310 787 L HN 0.379 nan 8.230 nan 0.000 0.416 788 V N 4.405 124.216 119.914 -0.172 0.000 2.409 788 V HA 0.513 4.637 4.120 0.008 0.000 0.291 788 V C -0.117 175.864 176.094 -0.188 0.000 1.020 788 V CA -0.370 61.770 62.300 -0.267 0.000 0.848 788 V CB 1.815 33.285 31.823 -0.588 0.000 0.990 788 V HN 0.503 nan 8.190 nan 0.000 0.430 789 L N 3.570 124.718 121.223 -0.125 0.000 2.323 789 L HA 0.722 5.067 4.340 0.008 0.000 0.265 789 L C -0.301 176.552 176.870 -0.027 0.000 1.012 789 L CA -0.647 54.157 54.840 -0.059 0.000 0.820 789 L CB 2.316 44.362 42.059 -0.023 0.000 1.334 789 L HN 0.587 nan 8.230 nan 0.000 0.427 790 E N 0.977 121.194 120.200 0.029 0.000 2.218 790 E HA 0.711 5.065 4.350 0.008 0.000 0.263 790 E C -1.623 175.189 176.600 0.353 0.000 0.879 790 E CA -0.565 55.904 56.400 0.114 0.000 0.762 790 E CB 1.996 31.665 29.700 -0.052 0.000 1.166 790 E HN 0.690 nan 8.360 nan 0.000 0.415 791 A N 4.964 128.028 122.820 0.407 0.000 2.414 791 A HA 0.636 4.960 4.320 0.008 0.000 0.306 791 A C -2.740 174.854 177.584 0.018 0.000 1.054 791 A CA -1.835 50.363 52.037 0.268 0.000 0.724 791 A CB 1.469 20.507 19.000 0.063 0.000 1.267 791 A HN 0.466 nan 8.150 nan 0.000 0.418 792 P HA 0.210 nan 4.420 nan 0.000 0.264 792 P C 1.232 178.303 177.300 -0.382 0.000 1.193 792 P CA 0.852 63.378 63.100 -0.956 0.000 0.763 792 P CB 0.670 31.765 31.700 -1.008 0.000 0.810 793 K N 3.139 123.379 120.400 -0.267 0.000 2.107 793 K HA -0.292 4.032 4.320 0.008 0.000 0.211 793 K C 2.093 178.618 176.600 -0.125 0.000 1.049 793 K CA 2.740 58.952 56.287 -0.125 0.000 0.927 793 K CB -2.072 30.381 32.500 -0.078 0.000 0.714 793 K HN 0.611 nan 8.250 nan 0.000 0.452 794 E N 0.768 120.870 120.200 -0.164 0.000 2.153 794 E HA -0.145 4.209 4.350 0.008 0.000 0.194 794 E C 2.189 178.718 176.600 -0.119 0.000 0.988 794 E CA 1.466 57.790 56.400 -0.128 0.000 0.811 794 E CB -0.322 29.296 29.700 -0.138 0.000 0.746 794 E HN 0.764 nan 8.360 nan 0.000 0.466 795 R N -1.103 119.306 120.500 -0.152 0.000 2.362 795 R HA 0.467 4.812 4.340 0.008 0.000 0.227 795 R C 2.473 178.720 176.300 -0.088 0.000 0.905 795 R CA 0.536 56.564 56.100 -0.121 0.000 1.067 795 R CB 0.384 30.595 30.300 -0.148 0.000 1.078 795 R HN 0.386 nan 8.270 nan 0.000 0.516 796 A N 1.643 124.417 122.820 -0.076 0.000 1.873 796 A HA -0.224 4.101 4.320 0.008 0.000 0.218 796 A C 1.809 179.377 177.584 -0.028 0.000 1.193 796 A CA 1.409 53.425 52.037 -0.036 0.000 0.629 796 A CB -0.206 18.784 19.000 -0.017 0.000 0.826 796 A HN 0.180 nan 8.150 nan 0.000 0.447 797 E N -0.322 119.859 120.200 -0.031 0.000 2.070 797 E HA -0.219 4.135 4.350 0.008 0.000 0.197 797 E C 2.404 178.988 176.600 -0.027 0.000 1.004 797 E CA 1.430 57.815 56.400 -0.025 0.000 0.805 797 E CB -0.568 29.116 29.700 -0.026 0.000 0.744 797 E HN 0.591 nan 8.360 nan 0.000 0.451 798 A N 0.922 123.720 122.820 -0.036 0.000 1.902 798 A HA -0.127 4.197 4.320 0.008 0.000 0.217 798 A C 2.625 180.189 177.584 -0.034 0.000 1.181 798 A CA 1.427 53.443 52.037 -0.036 0.000 0.623 798 A CB -0.659 18.314 19.000 -0.045 0.000 0.818 798 A HN 0.134 nan 8.150 nan 0.000 0.443 799 V N -0.013 119.879 119.914 -0.037 0.000 2.343 799 V HA -0.274 3.851 4.120 0.008 0.000 0.247 799 V C 3.056 179.135 176.094 -0.024 0.000 1.051 799 V CA 1.948 64.229 62.300 -0.032 0.000 1.036 799 V CB -1.318 30.490 31.823 -0.026 0.000 0.654 799 V HN 0.621 nan 8.190 nan 0.000 0.451 800 A N -0.036 122.772 122.820 -0.020 0.000 1.883 800 A HA -0.258 4.066 4.320 0.008 0.000 0.217 800 A C 2.390 179.962 177.584 -0.020 0.000 1.186 800 A CA 2.086 54.112 52.037 -0.018 0.000 0.624 800 A CB -0.515 18.479 19.000 -0.012 0.000 0.822 800 A HN 0.511 nan 8.150 nan 0.000 0.444 801 R N -1.283 119.206 120.500 -0.018 0.000 2.075 801 R HA -0.059 4.285 4.340 0.008 0.000 0.232 801 R C 2.169 178.459 176.300 -0.016 0.000 1.126 801 R CA 1.323 57.414 56.100 -0.016 0.000 0.963 801 R CB -0.491 29.800 30.300 -0.014 0.000 0.858 801 R HN 0.525 nan 8.270 nan 0.000 0.435 802 L N 0.691 121.902 121.223 -0.019 0.000 1.994 802 L HA -0.108 4.236 4.340 0.008 0.000 0.208 802 L C 2.263 179.124 176.870 -0.015 0.000 1.071 802 L CA 2.093 56.922 54.840 -0.018 0.000 0.745 802 L CB -0.660 41.384 42.059 -0.025 0.000 0.892 802 L HN 0.122 nan 8.230 nan 0.000 0.431 803 A N -0.328 122.479 122.820 -0.022 0.000 1.883 803 A HA -0.310 4.015 4.320 0.008 0.000 0.217 803 A C 2.461 180.023 177.584 -0.037 0.000 1.186 803 A CA 2.240 54.261 52.037 -0.027 0.000 0.624 803 A CB -0.809 18.170 19.000 -0.035 0.000 0.822 803 A HN 0.551 nan 8.150 nan 0.000 0.444 804 K N -0.707 119.669 120.400 -0.041 0.000 2.020 804 K HA -0.272 4.053 4.320 0.008 0.000 0.212 804 K C 2.015 178.603 176.600 -0.021 0.000 1.050 804 K CA 2.040 58.298 56.287 -0.048 0.000 0.929 804 K CB -0.187 32.294 32.500 -0.031 0.000 0.714 804 K HN 0.379 nan 8.250 nan 0.000 0.443 805 E N 0.156 120.354 120.200 -0.003 0.000 2.051 805 E HA -0.131 4.223 4.350 0.008 0.000 0.192 805 E C 1.898 178.517 176.600 0.032 0.000 0.991 805 E CA 1.273 57.682 56.400 0.015 0.000 0.799 805 E CB -0.145 29.561 29.700 0.010 0.000 0.748 805 E HN 0.158 nan 8.360 nan 0.000 0.449 806 V N 0.502 120.432 119.914 0.028 0.000 2.332 806 V HA -0.315 3.809 4.120 0.008 0.000 0.248 806 V C 2.298 178.444 176.094 0.086 0.000 1.055 806 V CA 2.043 64.374 62.300 0.050 0.000 1.038 806 V CB -0.486 31.360 31.823 0.039 0.000 0.651 806 V HN 0.329 nan 8.190 nan 0.000 0.450 807 M N -0.619 119.019 119.600 0.063 0.000 2.132 807 M HA -0.149 4.336 4.480 0.008 0.000 0.263 807 M C 2.182 178.640 176.300 0.263 0.000 1.065 807 M CA 1.734 57.104 55.300 0.118 0.000 1.122 807 M CB -0.425 32.081 32.600 -0.158 0.000 1.365 807 M HN 0.398 nan 8.290 nan 0.000 0.411 808 E N -0.363 119.931 120.200 0.157 0.000 2.216 808 E HA -0.046 4.309 4.350 0.008 0.000 0.192 808 E C 1.875 178.557 176.600 0.137 0.000 0.988 808 E CA 0.944 57.454 56.400 0.183 0.000 0.834 808 E CB -0.135 29.625 29.700 0.100 0.000 0.772 808 E HN 0.579 nan 8.360 nan 0.000 0.479 809 G N 1.068 109.935 108.800 0.111 0.000 3.088 809 G HA2 -0.043 3.922 3.960 0.008 0.000 0.217 809 G HA3 -0.043 3.922 3.960 0.008 0.000 0.217 809 G C 1.447 176.413 174.900 0.111 0.000 1.159 809 G CA -0.111 45.039 45.100 0.084 0.000 0.760 809 G HN 0.142 nan 8.290 nan 0.000 0.550 810 V N -0.240 119.772 119.914 0.164 0.000 2.277 810 V HA -0.167 3.958 4.120 0.008 0.000 0.255 810 V C 0.563 176.834 176.094 0.295 0.000 1.074 810 V CA 1.976 64.406 62.300 0.216 0.000 1.058 810 V CB -0.208 31.762 31.823 0.246 0.000 0.656 810 V HN 0.435 nan 8.190 nan 0.000 0.449 811 Y N -0.210 120.141 120.300 0.086 0.000 2.283 811 Y HA 0.455 5.009 4.550 0.007 0.000 0.329 811 Y C -2.674 173.228 175.900 0.003 0.000 1.181 811 Y CA -2.191 55.955 58.100 0.077 0.000 1.283 811 Y CB 0.941 39.507 38.460 0.176 0.000 1.186 811 Y HN 0.156 nan 8.280 nan 0.000 0.436 812 P HA 0.128 nan 4.420 nan 0.000 0.262 812 P C -0.594 176.635 177.300 -0.118 0.000 1.182 812 P CA 0.788 63.821 63.100 -0.112 0.000 0.761 812 P CB 0.657 32.281 31.700 -0.128 0.000 0.795 813 L N 1.807 122.987 121.223 -0.070 0.000 2.293 813 L HA 0.605 4.950 4.340 0.008 0.000 0.264 813 L C 1.500 178.456 176.870 0.143 0.000 1.029 813 L CA -1.119 53.677 54.840 -0.072 0.000 0.897 813 L CB 0.493 42.376 42.059 -0.293 0.000 1.497 813 L HN 0.182 nan 8.230 nan 0.000 0.495 814 A N -0.133 122.950 122.820 0.438 0.000 2.239 814 A HA 0.302 4.626 4.320 0.008 0.000 0.209 814 A C 0.293 177.937 177.584 0.100 0.000 1.171 814 A CA 0.553 52.707 52.037 0.194 0.000 0.768 814 A CB -0.320 18.739 19.000 0.098 0.000 0.790 814 A HN 0.270 nan 8.150 nan 0.000 0.478 815 V N 0.882 120.835 119.914 0.066 0.000 2.971 815 V HA 0.347 4.471 4.120 0.008 0.000 0.309 815 V C -2.615 173.456 176.094 -0.038 0.000 1.130 815 V CA -1.756 60.550 62.300 0.011 0.000 0.964 815 V CB 2.599 34.388 31.823 -0.058 0.000 1.029 815 V HN 0.212 nan 8.190 nan 0.000 0.427 816 P HA 0.314 nan 4.420 nan 0.000 0.275 816 P C -1.186 176.084 177.300 -0.050 0.000 1.228 816 P CA -0.191 62.901 63.100 -0.013 0.000 0.786 816 P CB 1.125 32.840 31.700 0.024 0.000 0.927 817 L N 2.638 123.855 121.223 -0.009 0.000 2.283 817 L HA 0.324 4.668 4.340 0.008 0.000 0.281 817 L C 0.952 177.901 176.870 0.133 0.000 1.033 817 L CA -0.434 54.421 54.840 0.025 0.000 0.848 817 L CB 0.549 42.626 42.059 0.030 0.000 1.226 817 L HN 0.288 nan 8.230 nan 0.000 0.429 818 E N 2.535 122.800 120.200 0.108 0.000 2.349 818 E HA 0.410 4.765 4.350 0.008 0.000 0.265 818 E C -0.842 175.834 176.600 0.127 0.000 1.064 818 E CA -0.571 55.893 56.400 0.107 0.000 0.886 818 E CB 2.572 32.323 29.700 0.085 0.000 1.036 818 E HN 0.202 nan 8.360 nan 0.000 0.413 819 V N 2.467 122.406 119.914 0.042 0.000 2.443 819 V HA 0.100 4.225 4.120 0.008 0.000 0.293 819 V C -0.327 175.755 176.094 -0.020 0.000 1.021 819 V CA -0.783 61.488 62.300 -0.049 0.000 0.848 819 V CB 1.572 33.281 31.823 -0.189 0.000 0.998 819 V HN 0.578 nan 8.190 nan 0.000 0.424 820 E N 3.777 123.980 120.200 0.005 0.000 2.316 820 E HA 0.489 4.843 4.350 0.008 0.000 0.275 820 E C -0.831 175.770 176.600 0.003 0.000 1.029 820 E CA 0.133 56.546 56.400 0.021 0.000 0.871 820 E CB 1.302 31.030 29.700 0.047 0.000 1.022 820 E HN 0.454 nan 8.360 nan 0.000 0.418 821 V N 2.905 122.822 119.914 0.006 0.000 2.769 821 V HA 0.910 5.035 4.120 0.008 0.000 0.312 821 V C 0.453 176.558 176.094 0.019 0.000 1.061 821 V CA -0.500 61.802 62.300 0.003 0.000 0.931 821 V CB 1.981 33.798 31.823 -0.009 0.000 1.010 821 V HN 0.716 nan 8.190 nan 0.000 0.433 822 G N 2.356 111.173 108.800 0.028 0.000 2.672 822 G HA2 0.843 4.807 3.960 0.008 0.000 0.292 822 G HA3 0.843 4.807 3.960 0.008 0.000 0.292 822 G C -1.662 173.260 174.900 0.038 0.000 1.375 822 G CA -0.608 44.515 45.100 0.038 0.000 0.890 822 G HN 0.598 nan 8.290 nan 0.000 0.476 823 I N 0.214 120.807 120.570 0.038 0.000 2.607 823 I HA 0.714 4.889 4.170 0.008 0.000 0.290 823 I C 0.207 176.350 176.117 0.045 0.000 1.129 823 I CA -0.584 60.738 61.300 0.037 0.000 1.042 823 I CB 2.533 40.547 38.000 0.024 0.000 1.242 823 I HN 0.897 nan 8.210 nan 0.000 0.421 824 G N 3.586 112.419 108.800 0.054 0.000 2.559 824 G HA2 0.246 4.211 3.960 0.008 0.000 0.291 824 G HA3 0.246 4.211 3.960 0.008 0.000 0.291 824 G C -0.168 174.769 174.900 0.063 0.000 1.424 824 G CA -0.370 44.763 45.100 0.056 0.000 0.786 824 G HN 0.496 nan 8.290 nan 0.000 0.485 825 E N -0.606 119.626 120.200 0.054 0.000 2.268 825 E HA -0.016 4.338 4.350 0.008 0.000 0.195 825 E C 0.376 177.014 176.600 0.064 0.000 0.995 825 E CA 1.562 57.993 56.400 0.053 0.000 0.836 825 E CB 0.166 29.885 29.700 0.032 0.000 0.763 825 E HN 0.687 nan 8.360 nan 0.000 0.491 826 D N -3.065 117.388 120.400 0.088 0.000 2.559 826 D HA 0.040 4.685 4.640 0.008 0.000 0.250 826 D C 0.432 176.873 176.300 0.234 0.000 1.135 826 D CA -0.872 53.214 54.000 0.144 0.000 0.955 826 D CB 0.208 41.075 40.800 0.112 0.000 1.442 826 D HN -0.235 nan 8.370 nan 0.000 0.471 827 W N 0.794 122.150 121.300 0.092 0.000 2.363 827 W HA -0.067 4.597 4.660 0.007 0.000 0.296 827 W C 1.505 178.038 176.519 0.022 0.000 1.212 827 W CA 0.713 58.090 57.345 0.053 0.000 1.260 827 W CB -0.630 28.848 29.460 0.031 0.000 1.131 827 W HN 0.520 nan 8.180 nan 0.000 0.530 828 L N 0.943 122.302 121.223 0.226 0.000 1.976 828 L HA -0.211 4.134 4.340 0.008 0.000 0.209 828 L C 2.540 179.464 176.870 0.090 0.000 1.071 828 L CA 2.806 57.687 54.840 0.069 0.000 0.746 828 L CB -1.336 40.744 42.059 0.035 0.000 0.890 828 L HN -0.207 nan 8.230 nan 0.000 0.432 829 S N -0.180 115.577 115.700 0.096 0.000 2.419 829 S HA -0.126 4.349 4.470 0.008 0.000 0.233 829 S C 2.079 176.734 174.600 0.092 0.000 1.016 829 S CA 0.864 59.109 58.200 0.074 0.000 0.974 829 S CB -0.616 62.619 63.200 0.059 0.000 0.786 829 S HN 0.658 nan 8.310 nan 0.000 0.492 830 A N 2.210 125.114 122.820 0.140 0.000 1.873 830 A HA -0.134 4.191 4.320 0.008 0.000 0.218 830 A C 1.409 179.069 177.584 0.127 0.000 1.193 830 A CA 1.189 53.310 52.037 0.140 0.000 0.629 830 A CB -0.307 18.811 19.000 0.197 0.000 0.826 830 A HN 0.336 nan 8.150 nan 0.000 0.447 831 K N 0.000 120.492 120.400 0.154 0.000 2.780 831 K HA 0.000 4.325 4.320 0.008 0.000 0.191 831 K CA 0.000 56.351 56.287 0.107 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