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 1qsy_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 0.000 177.592 177.584 0.014 0.000 1.274 293 A CA 0.000 52.044 52.037 0.012 0.000 0.836 293 A CB 0.000 19.008 19.000 0.014 0.000 0.831 294 L N 1.609 122.838 121.223 0.011 0.000 2.342 294 L HA 0.784 5.129 4.340 0.009 0.000 0.276 294 L C 0.033 176.904 176.870 0.002 0.000 0.997 294 L CA 0.146 54.993 54.840 0.012 0.000 0.838 294 L CB 1.261 43.330 42.059 0.017 0.000 1.224 294 L HN 0.390 nan 8.230 nan 0.000 0.416 295 E N 3.825 124.021 120.200 -0.006 0.000 2.322 295 E HA 0.529 4.884 4.350 0.009 0.000 0.257 295 E C -0.968 175.605 176.600 -0.045 0.000 1.155 295 E CA -0.517 55.870 56.400 -0.022 0.000 0.936 295 E CB 0.838 30.523 29.700 -0.024 0.000 1.130 295 E HN 0.758 nan 8.360 nan 0.000 0.465 296 E N -0.935 119.230 120.200 -0.059 0.000 2.224 296 E HA 0.595 4.951 4.350 0.009 0.000 0.265 296 E C -0.980 175.543 176.600 -0.129 0.000 0.878 296 E CA -0.780 55.569 56.400 -0.086 0.000 0.759 296 E CB 2.014 31.691 29.700 -0.039 0.000 1.164 296 E HN 0.719 nan 8.360 nan 0.000 0.414 297 A N 3.710 126.369 122.820 -0.269 0.000 2.386 297 A HA 0.743 5.068 4.320 0.009 0.000 0.308 297 A C -2.595 174.922 177.584 -0.112 0.000 1.128 297 A CA -1.911 49.971 52.037 -0.259 0.000 0.789 297 A CB 0.822 19.554 19.000 -0.446 0.000 1.325 297 A HN 0.355 nan 8.150 nan 0.000 0.437 298 P HA -0.033 nan 4.420 nan 0.000 0.267 298 P C 1.019 178.522 177.300 0.338 0.000 1.205 298 P CA -0.166 63.033 63.100 0.165 0.000 0.765 298 P CB 0.357 32.127 31.700 0.116 0.000 0.828 299 W N 5.552 126.938 121.300 0.143 0.000 2.320 299 W HA -0.260 4.405 4.660 0.009 0.000 0.359 299 W C -1.507 175.080 176.519 0.113 0.000 1.556 299 W CA 0.776 58.208 57.345 0.146 0.000 1.501 299 W CB -2.269 27.230 29.460 0.064 0.000 1.013 299 W HN 0.371 nan 8.180 nan 0.000 0.473 300 P HA -0.108 nan 4.420 nan 0.000 0.198 300 P C -2.221 174.576 177.300 -0.838 0.000 0.910 300 P CA 0.381 62.995 63.100 -0.809 0.000 1.202 300 P CB -0.247 31.252 31.700 -0.335 0.000 1.231 301 P HA 0.188 nan 4.420 nan 0.000 0.279 301 P C -2.335 174.580 177.300 -0.641 0.000 1.239 301 P CA -1.852 60.562 63.100 -1.144 0.000 0.789 301 P CB 0.214 31.365 31.700 -0.914 0.000 0.933 302 P HA 0.100 nan 4.420 nan 0.000 0.271 302 P C 0.297 177.453 177.300 -0.239 0.000 1.218 302 P CA 0.285 63.229 63.100 -0.261 0.000 0.780 302 P CB 0.147 31.756 31.700 -0.153 0.000 0.901 303 E N 0.963 121.045 120.200 -0.195 0.000 2.492 303 E HA 0.238 4.594 4.350 0.009 0.000 0.266 303 E C 1.354 177.838 176.600 -0.192 0.000 1.047 303 E CA 0.383 56.675 56.400 -0.181 0.000 0.968 303 E CB -1.124 28.491 29.700 -0.141 0.000 0.960 303 E HN 0.940 nan 8.360 nan 0.000 0.452 304 G N -0.584 108.084 108.800 -0.221 0.000 2.198 304 G HA2 0.171 4.137 3.960 0.009 0.000 0.260 304 G HA3 0.171 4.137 3.960 0.009 0.000 0.260 304 G C 0.544 175.203 174.900 -0.401 0.000 1.025 304 G CA 0.844 45.766 45.100 -0.297 0.000 0.769 304 G HN 1.970 nan 8.290 nan 0.000 0.507 305 A N -0.672 121.954 122.820 -0.322 0.000 2.286 305 A HA 0.817 5.143 4.320 0.009 0.000 0.286 305 A C -0.037 177.347 177.584 -0.335 0.000 1.097 305 A CA -0.573 51.305 52.037 -0.266 0.000 0.821 305 A CB 0.568 19.490 19.000 -0.130 0.000 1.076 305 A HN 0.612 nan 8.150 nan 0.000 0.490 306 F N 1.234 121.186 119.950 0.003 0.000 2.424 306 F HA 0.376 4.908 4.527 0.009 0.000 0.356 306 F C 0.583 176.443 175.800 0.101 0.000 1.110 306 F CA -0.153 57.866 58.000 0.031 0.000 1.161 306 F CB 0.922 39.947 39.000 0.042 0.000 1.115 306 F HN 0.253 nan 8.300 nan 0.000 0.507 307 V N 2.413 122.475 119.914 0.246 0.000 3.003 307 V HA 0.659 4.785 4.120 0.009 0.000 0.305 307 V C 0.569 176.873 176.094 0.350 0.000 1.078 307 V CA -0.528 61.931 62.300 0.266 0.000 1.083 307 V CB 1.133 33.072 31.823 0.194 0.000 1.039 307 V HN 0.916 nan 8.190 nan 0.000 0.481 308 G N 2.674 111.683 108.800 0.347 0.000 2.741 308 G HA2 0.713 4.679 3.960 0.009 0.000 0.293 308 G HA3 0.713 4.679 3.960 0.009 0.000 0.293 308 G C -1.388 173.705 174.900 0.322 0.000 1.457 308 G CA -0.456 44.821 45.100 0.295 0.000 1.098 308 G HN 0.709 nan 8.290 nan 0.000 0.536 309 F N 0.393 120.361 119.950 0.030 0.000 2.626 309 F HA 0.854 5.386 4.527 0.009 0.000 0.311 309 F C -1.221 174.553 175.800 -0.043 0.000 1.088 309 F CA -2.016 55.968 58.000 -0.026 0.000 0.949 309 F CB 1.741 40.728 39.000 -0.022 0.000 1.322 309 F HN 0.357 nan 8.300 nan 0.000 0.461 310 V N 3.293 123.211 119.914 0.007 0.000 2.483 310 V HA 0.501 4.627 4.120 0.009 0.000 0.297 310 V C -0.346 175.759 176.094 0.020 0.000 1.027 310 V CA -0.674 61.575 62.300 -0.085 0.000 0.855 310 V CB 1.519 33.271 31.823 -0.118 0.000 0.995 310 V HN 0.766 nan 8.190 nan 0.000 0.424 311 L N 3.140 124.387 121.223 0.040 0.000 2.344 311 L HA 0.454 4.800 4.340 0.009 0.000 0.272 311 L C 1.572 178.475 176.870 0.056 0.000 1.035 311 L CA -0.408 54.487 54.840 0.091 0.000 0.807 311 L CB 2.027 44.181 42.059 0.158 0.000 1.237 311 L HN 0.780 nan 8.230 nan 0.000 0.442 312 S N 0.834 116.578 115.700 0.072 0.000 2.453 312 S HA -0.015 4.460 4.470 0.009 0.000 0.231 312 S C 0.594 175.232 174.600 0.063 0.000 1.005 312 S CA 0.117 58.353 58.200 0.060 0.000 0.949 312 S CB -0.107 63.139 63.200 0.075 0.000 0.774 312 S HN 0.792 nan 8.310 nan 0.000 0.510 313 R N -0.224 120.329 120.500 0.089 0.000 2.734 313 R HA 0.438 4.783 4.340 0.009 0.000 0.271 313 R C 0.151 176.518 176.300 0.113 0.000 1.021 313 R CA -1.024 55.129 56.100 0.088 0.000 0.893 313 R CB 0.580 30.933 30.300 0.089 0.000 1.244 313 R HN -0.055 nan 8.270 nan 0.000 0.464 314 K N 0.272 120.732 120.400 0.101 0.000 2.283 314 K HA -0.045 4.280 4.320 0.009 0.000 0.202 314 K C -0.543 176.141 176.600 0.140 0.000 1.048 314 K CA 1.171 57.526 56.287 0.114 0.000 0.948 314 K CB -0.099 32.453 32.500 0.087 0.000 0.742 314 K HN 0.617 nan 8.250 nan 0.000 0.458 315 E N 2.551 122.848 120.200 0.162 0.000 2.129 315 E HA 0.126 4.482 4.350 0.009 0.000 0.283 315 E C -2.029 174.714 176.600 0.237 0.000 1.080 315 E CA -1.998 54.537 56.400 0.225 0.000 0.867 315 E CB 1.395 31.293 29.700 0.330 0.000 1.056 315 E HN 0.002 nan 8.360 nan 0.000 0.404 316 P HA -0.217 nan 4.420 nan 0.000 0.216 316 P C 1.075 178.427 177.300 0.087 0.000 1.153 316 P CA 1.195 64.376 63.100 0.134 0.000 0.858 316 P CB 0.176 31.935 31.700 0.099 0.000 0.789 317 M N -3.239 116.393 119.600 0.054 0.000 2.374 317 M HA -0.095 4.390 4.480 0.009 0.000 0.264 317 M C 1.052 177.225 176.300 -0.212 0.000 1.067 317 M CA 1.500 56.709 55.300 -0.153 0.000 1.103 317 M CB -1.273 31.153 32.600 -0.290 0.000 1.402 317 M HN 0.123 nan 8.290 nan 0.000 0.444 318 W N -0.560 120.800 121.300 0.100 0.000 2.975 318 W HA 0.442 5.107 4.660 0.009 0.000 0.316 318 W C 0.958 177.517 176.519 0.067 0.000 1.131 318 W CA -0.267 57.122 57.345 0.073 0.000 1.624 318 W CB -0.125 29.355 29.460 0.034 0.000 1.038 318 W HN -0.042 nan 8.180 nan 0.000 0.571 319 A N 1.158 124.134 122.820 0.260 0.000 2.386 319 A HA 0.266 4.591 4.320 0.009 0.000 0.248 319 A C -0.434 177.260 177.584 0.183 0.000 1.082 319 A CA 0.100 52.256 52.037 0.199 0.000 0.789 319 A CB 0.145 19.251 19.000 0.177 0.000 1.025 319 A HN 0.034 nan 8.150 nan 0.000 0.490 320 D N 1.195 121.695 120.400 0.168 0.000 2.233 320 D HA 0.250 4.896 4.640 0.009 0.000 0.240 320 D C -0.582 175.785 176.300 0.111 0.000 1.074 320 D CA -0.220 53.904 54.000 0.208 0.000 0.838 320 D CB 0.833 41.733 40.800 0.166 0.000 1.124 320 D HN 0.390 nan 8.370 nan 0.000 0.475 321 L N 6.033 127.247 121.223 -0.015 0.000 2.462 321 L HA 0.110 4.456 4.340 0.009 0.000 0.283 321 L C 1.062 177.762 176.870 -0.284 0.000 1.166 321 L CA -0.303 54.351 54.840 -0.309 0.000 0.964 321 L CB 0.093 41.657 42.059 -0.825 0.000 1.294 321 L HN 0.561 nan 8.230 nan 0.000 0.449 322 L N 4.213 125.376 121.223 -0.099 0.000 2.109 322 L HA 0.107 4.453 4.340 0.009 0.000 0.207 322 L C 0.898 177.707 176.870 -0.102 0.000 1.086 322 L CA 0.586 55.385 54.840 -0.069 0.000 0.760 322 L CB -0.285 41.755 42.059 -0.032 0.000 0.910 322 L HN 0.674 nan 8.230 nan 0.000 0.437 323 A N -0.221 122.536 122.820 -0.104 0.000 2.520 323 A HA 0.684 5.009 4.320 0.009 0.000 0.298 323 A C -1.432 176.098 177.584 -0.091 0.000 1.051 323 A CA -0.314 51.657 52.037 -0.109 0.000 0.690 323 A CB 1.853 20.803 19.000 -0.084 0.000 1.281 323 A HN 0.014 nan 8.150 nan 0.000 0.402 324 L N 1.525 122.656 121.223 -0.154 0.000 2.470 324 L HA 0.826 5.172 4.340 0.009 0.000 0.268 324 L C -0.284 176.475 176.870 -0.184 0.000 0.964 324 L CA -0.362 54.389 54.840 -0.150 0.000 0.839 324 L CB 1.805 43.687 42.059 -0.295 0.000 1.276 324 L HN 1.212 nan 8.230 nan 0.000 0.403 325 A N 3.541 126.362 122.820 0.001 0.000 2.524 325 A HA 1.035 5.360 4.320 0.009 0.000 0.289 325 A C -1.617 176.154 177.584 0.312 0.000 1.248 325 A CA -0.042 52.075 52.037 0.135 0.000 0.712 325 A CB 1.957 21.027 19.000 0.117 0.000 1.312 325 A HN 0.972 nan 8.150 nan 0.000 0.441 326 A N -1.302 121.757 122.820 0.397 0.000 2.604 326 A HA 0.895 5.220 4.320 0.009 0.000 0.295 326 A C -0.707 177.074 177.584 0.328 0.000 1.067 326 A CA 0.107 52.353 52.037 0.349 0.000 0.683 326 A CB 1.118 20.310 19.000 0.320 0.000 1.281 326 A HN 2.517 nan 8.150 nan 0.000 0.407 327 A N 1.437 124.435 122.820 0.296 0.000 2.374 327 A HA 0.922 5.247 4.320 0.009 0.000 0.305 327 A C -0.476 177.291 177.584 0.304 0.000 1.053 327 A CA -0.574 51.632 52.037 0.282 0.000 0.726 327 A CB 1.325 20.462 19.000 0.229 0.000 1.229 327 A HN 0.820 nan 8.150 nan 0.000 0.431 328 R N 1.058 121.708 120.500 0.251 0.000 2.594 328 R HA 0.580 4.926 4.340 0.009 0.000 0.265 328 R C 0.685 177.082 176.300 0.162 0.000 1.070 328 R CA 0.679 56.904 56.100 0.208 0.000 0.909 328 R CB 1.449 31.817 30.300 0.113 0.000 1.243 328 R HN 2.175 nan 8.270 nan 0.000 0.455 329 G N 1.964 110.844 108.800 0.134 0.000 3.377 329 G HA2 -0.351 3.614 3.960 0.009 0.000 0.304 329 G HA3 -0.351 3.614 3.960 0.009 0.000 0.304 329 G C 0.463 175.414 174.900 0.084 0.000 1.366 329 G CA 0.660 45.817 45.100 0.095 0.000 1.020 329 G HN 1.163 nan 8.290 nan 0.000 0.621 330 G N -0.824 108.019 108.800 0.071 0.000 4.517 330 G HA2 0.709 4.674 3.960 0.009 0.000 0.258 330 G HA3 0.709 4.674 3.960 0.009 0.000 0.258 330 G C 0.185 175.109 174.900 0.040 0.000 1.038 330 G CA 1.478 46.609 45.100 0.052 0.000 0.810 330 G HN 1.602 nan 8.290 nan 0.000 0.383 331 R N -0.408 120.122 120.500 0.051 0.000 2.873 331 R HA 0.939 5.285 4.340 0.009 0.000 0.264 331 R C -1.299 175.021 176.300 0.033 0.000 1.026 331 R CA -0.544 55.556 56.100 0.001 0.000 1.002 331 R CB 1.643 31.907 30.300 -0.060 0.000 1.174 331 R HN 0.450 nan 8.270 nan 0.000 0.488 332 V N 1.746 121.632 119.914 -0.048 0.000 2.638 332 V HA 0.458 4.584 4.120 0.009 0.000 0.306 332 V C -1.406 174.661 176.094 -0.045 0.000 1.052 332 V CA -0.896 61.437 62.300 0.055 0.000 0.885 332 V CB 1.708 33.573 31.823 0.071 0.000 0.999 332 V HN 1.001 nan 8.190 nan 0.000 0.424 333 H N 3.265 122.435 119.070 0.167 0.000 2.511 333 H HA 0.610 5.172 4.556 0.009 0.000 0.328 333 H C -0.169 175.366 175.328 0.345 0.000 1.044 333 H CA -0.499 55.701 56.048 0.253 0.000 1.212 333 H CB 0.983 30.901 29.762 0.260 0.000 1.428 333 H HN 0.414 nan 8.280 nan 0.000 0.483 334 R N 2.048 122.741 120.500 0.322 0.000 2.255 334 R HA 0.584 4.929 4.340 0.009 0.000 0.326 334 R C -0.455 175.887 176.300 0.070 0.000 0.986 334 R CA -0.904 55.286 56.100 0.150 0.000 0.847 334 R CB 1.477 31.812 30.300 0.059 0.000 1.111 334 R HN 0.679 nan 8.270 nan 0.000 0.452 335 A N 5.662 128.295 122.820 -0.311 0.000 2.396 335 A HA 0.221 4.547 4.320 0.009 0.000 0.279 335 A C -1.242 176.121 177.584 -0.367 0.000 1.165 335 A CA -1.282 50.312 52.037 -0.738 0.000 0.824 335 A CB 0.185 18.157 19.000 -1.714 0.000 1.100 335 A HN 0.584 nan 8.150 nan 0.000 0.516 336 P HA -0.156 nan 4.420 nan 0.000 0.215 336 P C 0.074 177.302 177.300 -0.120 0.000 1.153 336 P CA 1.318 64.359 63.100 -0.098 0.000 0.853 336 P CB 0.261 31.947 31.700 -0.023 0.000 0.788 337 E N 0.154 120.260 120.200 -0.158 0.000 2.255 337 E HA 0.162 4.518 4.350 0.009 0.000 0.245 337 E C -1.776 174.706 176.600 -0.196 0.000 0.909 337 E CA -2.208 54.126 56.400 -0.111 0.000 0.747 337 E CB 1.606 31.288 29.700 -0.031 0.000 1.215 337 E HN 0.172 nan 8.360 nan 0.000 0.424 338 P HA -0.258 nan 4.420 nan 0.000 0.214 338 P C 0.942 178.079 177.300 -0.273 0.000 1.169 338 P CA 1.577 64.466 63.100 -0.351 0.000 0.908 338 P CB 0.109 31.577 31.700 -0.388 0.000 0.791 339 Y N 0.900 121.140 120.300 -0.101 0.000 2.128 339 Y HA -0.187 4.369 4.550 0.009 0.000 0.284 339 Y C 2.955 178.821 175.900 -0.057 0.000 1.154 339 Y CA 1.736 59.795 58.100 -0.068 0.000 1.149 339 Y CB -1.171 37.260 38.460 -0.048 0.000 0.976 339 Y HN -0.027 nan 8.280 nan 0.000 0.505 340 K N 0.462 120.922 120.400 0.101 0.000 2.097 340 K HA -0.176 4.150 4.320 0.009 0.000 0.206 340 K C 2.212 178.843 176.600 0.052 0.000 1.049 340 K CA 1.223 57.548 56.287 0.063 0.000 0.933 340 K CB -0.326 32.200 32.500 0.044 0.000 0.717 340 K HN 0.282 nan 8.250 nan 0.000 0.442 341 A N 1.756 124.540 122.820 -0.061 0.000 1.972 341 A HA -0.097 4.228 4.320 0.009 0.000 0.219 341 A C 2.169 179.825 177.584 0.120 0.000 1.169 341 A CA 1.060 53.059 52.037 -0.064 0.000 0.635 341 A CB -0.517 18.033 19.000 -0.750 0.000 0.810 341 A HN 0.334 nan 8.150 nan 0.000 0.446 342 L N -1.215 120.016 121.223 0.014 0.000 2.043 342 L HA -0.252 4.094 4.340 0.009 0.000 0.212 342 L C 2.739 179.654 176.870 0.075 0.000 1.075 342 L CA 1.603 56.462 54.840 0.032 0.000 0.752 342 L CB -0.486 41.567 42.059 -0.009 0.000 0.891 342 L HN 0.259 nan 8.230 nan 0.000 0.432 343 R N 0.213 120.763 120.500 0.083 0.000 2.159 343 R HA -0.149 4.196 4.340 0.009 0.000 0.237 343 R C 1.789 178.136 176.300 0.078 0.000 1.131 343 R CA 1.174 57.316 56.100 0.070 0.000 0.982 343 R CB -0.631 29.709 30.300 0.066 0.000 0.868 343 R HN 0.439 nan 8.270 nan 0.000 0.453 344 D N -0.125 120.360 120.400 0.141 0.000 2.213 344 D HA -0.014 4.632 4.640 0.009 0.000 0.205 344 D C 0.451 176.772 176.300 0.035 0.000 0.961 344 D CA 0.380 54.438 54.000 0.096 0.000 0.853 344 D CB 0.071 40.960 40.800 0.148 0.000 0.967 344 D HN 0.164 nan 8.370 nan 0.000 0.496 345 L N 0.660 121.934 121.223 0.084 0.000 2.483 345 L HA 0.112 4.458 4.340 0.009 0.000 0.276 345 L C 1.768 178.624 176.870 -0.024 0.000 1.213 345 L CA 0.094 54.946 54.840 0.019 0.000 0.843 345 L CB 0.502 42.590 42.059 0.047 0.000 1.107 345 L HN -0.065 nan 8.230 nan 0.000 0.487 346 K N 2.418 122.782 120.400 -0.059 0.000 2.370 346 K HA 0.208 4.534 4.320 0.009 0.000 0.194 346 K C 0.525 177.084 176.600 -0.068 0.000 1.070 346 K CA 0.451 56.701 56.287 -0.061 0.000 0.998 346 K CB 0.529 32.983 32.500 -0.077 0.000 0.911 346 K HN 0.779 nan 8.250 nan 0.000 0.533 347 E N -0.621 119.529 120.200 -0.084 0.000 2.354 347 E HA 0.444 4.800 4.350 0.009 0.000 0.283 347 E C -1.677 174.863 176.600 -0.100 0.000 0.938 347 E CA -0.012 56.330 56.400 -0.096 0.000 0.777 347 E CB 1.915 31.542 29.700 -0.122 0.000 1.222 347 E HN 0.217 nan 8.360 nan 0.000 0.423 348 E N 3.992 124.135 120.200 -0.095 0.000 2.001 348 E HA 0.298 4.653 4.350 0.009 0.000 0.279 348 E C -0.488 176.072 176.600 -0.067 0.000 1.045 348 E CA -0.633 55.715 56.400 -0.087 0.000 0.833 348 E CB 0.457 30.083 29.700 -0.123 0.000 1.077 348 E HN 0.435 nan 8.360 nan 0.000 0.397 349 R N 1.387 121.842 120.500 -0.074 0.000 2.393 349 R HA 0.840 5.185 4.340 0.009 0.000 0.315 349 R C 0.314 176.664 176.300 0.083 0.000 0.952 349 R CA -0.084 55.970 56.100 -0.078 0.000 0.842 349 R CB 1.485 31.613 30.300 -0.285 0.000 1.163 349 R HN 0.898 nan 8.270 nan 0.000 0.450 350 G N 1.648 110.561 108.800 0.188 0.000 2.362 350 G HA2 0.098 4.064 3.960 0.009 0.000 0.288 350 G HA3 0.098 4.064 3.960 0.009 0.000 0.288 350 G C -1.604 173.460 174.900 0.274 0.000 1.305 350 G CA -1.198 44.091 45.100 0.315 0.000 0.910 350 G HN 0.421 nan 8.290 nan 0.000 0.518 351 L N 1.180 122.565 121.223 0.269 0.000 2.660 351 L HA 0.298 4.643 4.340 0.009 0.000 0.272 351 L C 1.519 178.535 176.870 0.243 0.000 1.194 351 L CA 0.964 55.914 54.840 0.184 0.000 0.945 351 L CB -0.590 41.561 42.059 0.153 0.000 1.212 351 L HN 0.830 nan 8.230 nan 0.000 0.490 352 L N 3.444 124.767 121.223 0.166 0.000 3.608 352 L HA -0.335 4.010 4.340 0.009 0.000 0.422 352 L C 1.620 178.693 176.870 0.339 0.000 1.260 352 L CA 0.355 55.332 54.840 0.229 0.000 0.889 352 L CB -1.956 40.248 42.059 0.242 0.000 1.821 352 L HN 0.827 nan 8.230 nan 0.000 0.884 353 A N 0.357 123.307 122.820 0.218 0.000 1.892 353 A HA -0.261 4.065 4.320 0.009 0.000 0.218 353 A C 2.224 179.822 177.584 0.023 0.000 1.188 353 A CA 2.246 54.351 52.037 0.113 0.000 0.631 353 A CB -0.309 18.732 19.000 0.067 0.000 0.822 353 A HN 0.627 nan 8.150 nan 0.000 0.447 354 K N -0.742 119.677 120.400 0.032 0.000 2.113 354 K HA -0.243 4.082 4.320 0.009 0.000 0.208 354 K C 1.310 177.906 176.600 -0.008 0.000 1.047 354 K CA 1.886 58.165 56.287 -0.013 0.000 0.928 354 K CB -0.283 32.215 32.500 -0.003 0.000 0.716 354 K HN 0.429 nan 8.250 nan 0.000 0.446 355 D N 0.859 121.301 120.400 0.071 0.000 2.097 355 D HA -0.166 4.480 4.640 0.009 0.000 0.197 355 D C 1.857 178.141 176.300 -0.026 0.000 0.984 355 D CA 0.780 54.840 54.000 0.100 0.000 0.826 355 D CB -0.233 40.724 40.800 0.262 0.000 0.973 355 D HN 0.157 nan 8.370 nan 0.000 0.460 356 L N 0.553 121.619 121.223 -0.262 0.000 2.046 356 L HA -0.133 4.213 4.340 0.009 0.000 0.208 356 L C 2.244 178.926 176.870 -0.313 0.000 1.077 356 L CA 1.693 56.156 54.840 -0.628 0.000 0.747 356 L CB -0.883 40.395 42.059 -1.302 0.000 0.896 356 L HN -0.066 nan 8.230 nan 0.000 0.432 357 S N -1.426 114.137 115.700 -0.228 0.000 2.383 357 S HA -0.168 4.308 4.470 0.009 0.000 0.229 357 S C 1.989 176.500 174.600 -0.148 0.000 1.030 357 S CA 1.540 59.637 58.200 -0.172 0.000 1.002 357 S CB -0.456 62.650 63.200 -0.158 0.000 0.829 357 S HN 0.323 nan 8.310 nan 0.000 0.467 358 V N 1.800 121.643 119.914 -0.117 0.000 2.343 358 V HA -0.116 4.010 4.120 0.009 0.000 0.247 358 V C 2.381 178.425 176.094 -0.084 0.000 1.051 358 V CA 1.957 64.205 62.300 -0.087 0.000 1.036 358 V CB -0.611 31.194 31.823 -0.029 0.000 0.654 358 V HN 0.586 nan 8.190 nan 0.000 0.451 359 L N -0.136 121.040 121.223 -0.078 0.000 2.093 359 L HA -0.118 4.227 4.340 0.009 0.000 0.208 359 L C 2.500 179.334 176.870 -0.060 0.000 1.085 359 L CA 1.648 56.454 54.840 -0.058 0.000 0.755 359 L CB -0.476 41.560 42.059 -0.039 0.000 0.904 359 L HN 0.325 nan 8.230 nan 0.000 0.435 360 A N 0.364 123.132 122.820 -0.087 0.000 1.851 360 A HA -0.226 4.100 4.320 0.009 0.000 0.216 360 A C 2.146 179.697 177.584 -0.053 0.000 1.195 360 A CA 1.927 53.925 52.037 -0.066 0.000 0.622 360 A CB -0.970 17.977 19.000 -0.087 0.000 0.831 360 A HN 0.480 nan 8.150 nan 0.000 0.444 361 L N -0.932 120.249 121.223 -0.071 0.000 2.013 361 L HA -0.256 4.090 4.340 0.009 0.000 0.212 361 L C 2.813 179.646 176.870 -0.062 0.000 1.073 361 L CA 2.019 56.829 54.840 -0.051 0.000 0.753 361 L CB -0.603 41.419 42.059 -0.061 0.000 0.890 361 L HN 0.493 nan 8.230 nan 0.000 0.432 362 R N 0.230 120.672 120.500 -0.098 0.000 2.200 362 R HA -0.211 4.135 4.340 0.009 0.000 0.234 362 R C 1.767 177.999 176.300 -0.114 0.000 1.127 362 R CA 1.468 57.475 56.100 -0.155 0.000 0.989 362 R CB 0.073 30.252 30.300 -0.201 0.000 0.869 362 R HN 0.220 nan 8.270 nan 0.000 0.459 363 E N -1.390 118.773 120.200 -0.061 0.000 2.472 363 E HA 0.114 4.469 4.350 0.009 0.000 0.196 363 E C 0.513 177.095 176.600 -0.030 0.000 1.033 363 E CA 0.710 57.088 56.400 -0.036 0.000 0.886 363 E CB 0.863 30.574 29.700 0.018 0.000 0.944 363 E HN 0.511 nan 8.360 nan 0.000 0.492 364 G N -0.186 108.597 108.800 -0.029 0.000 2.184 364 G HA2 -0.168 3.797 3.960 0.009 0.000 0.206 364 G HA3 -0.168 3.797 3.960 0.009 0.000 0.206 364 G C -0.207 174.691 174.900 -0.003 0.000 0.995 364 G CA 0.070 45.160 45.100 -0.016 0.000 0.651 364 G HN 0.085 nan 8.290 nan 0.000 0.511 365 L N 0.505 121.725 121.223 -0.004 0.000 2.360 365 L HA 0.743 5.088 4.340 0.009 0.000 0.271 365 L C 1.448 178.322 176.870 0.006 0.000 1.057 365 L CA 0.453 55.293 54.840 0.000 0.000 0.803 365 L CB 0.959 43.015 42.059 -0.005 0.000 1.207 365 L HN 0.220 nan 8.230 nan 0.000 0.445 366 G N 1.437 110.247 108.800 0.016 0.000 3.707 366 G HA2 0.179 4.144 3.960 0.009 0.000 0.286 366 G HA3 0.179 4.144 3.960 0.009 0.000 0.286 366 G C 0.178 175.087 174.900 0.015 0.000 1.112 366 G CA -0.183 44.942 45.100 0.041 0.000 0.861 366 G HN 0.373 nan 8.290 nan 0.000 0.534 367 L N 3.304 124.514 121.223 -0.022 0.000 2.678 367 L HA 0.261 4.607 4.340 0.009 0.000 0.276 367 L C -1.772 175.054 176.870 -0.072 0.000 1.142 367 L CA -1.891 52.921 54.840 -0.046 0.000 0.961 367 L CB 0.089 42.112 42.059 -0.061 0.000 1.291 367 L HN -0.001 nan 8.230 nan 0.000 0.476 368 P HA 0.309 nan 4.420 nan 0.000 0.282 368 P C -2.880 174.366 177.300 -0.090 0.000 1.249 368 P CA -1.920 61.136 63.100 -0.074 0.000 0.806 368 P CB 0.818 32.505 31.700 -0.022 0.000 0.984 369 P HA 0.148 nan 4.420 nan 0.000 0.280 369 P C 0.172 177.426 177.300 -0.077 0.000 1.244 369 P CA 0.370 63.419 63.100 -0.085 0.000 0.784 369 P CB 1.121 32.773 31.700 -0.081 0.000 0.913 370 G N 2.663 111.418 108.800 -0.074 0.000 3.194 370 G HA2 0.192 4.158 3.960 0.009 0.000 0.160 370 G HA3 0.192 4.158 3.960 0.009 0.000 0.160 370 G C -0.478 174.398 174.900 -0.040 0.000 1.267 370 G CA -0.371 44.676 45.100 -0.089 0.000 0.962 370 G HN 0.384 nan 8.290 nan 0.000 0.612 371 D N 0.876 121.237 120.400 -0.064 0.000 2.472 371 D HA 0.297 4.943 4.640 0.009 0.000 0.237 371 D C -0.865 175.520 176.300 0.142 0.000 1.141 371 D CA 0.849 54.892 54.000 0.073 0.000 0.875 371 D CB 1.490 42.120 40.800 -0.283 0.000 1.192 371 D HN 0.263 nan 8.370 nan 0.000 0.450 372 D N 1.629 122.227 120.400 0.329 0.000 2.478 372 D HA 0.131 4.777 4.640 0.009 0.000 0.240 372 D C -2.041 174.463 176.300 0.341 0.000 1.364 372 D CA -1.741 52.431 54.000 0.285 0.000 0.987 372 D CB 1.996 42.919 40.800 0.206 0.000 1.328 372 D HN -0.051 nan 8.370 nan 0.000 0.584 373 P HA -0.199 nan 4.420 nan 0.000 0.218 373 P C 1.784 179.146 177.300 0.104 0.000 1.146 373 P CA 0.769 64.006 63.100 0.229 0.000 0.813 373 P CB 0.262 32.075 31.700 0.187 0.000 0.778 374 M N -0.808 118.855 119.600 0.104 0.000 2.106 374 M HA -0.121 4.365 4.480 0.009 0.000 0.259 374 M C 2.408 178.783 176.300 0.126 0.000 1.068 374 M CA 1.464 56.803 55.300 0.066 0.000 1.100 374 M CB -1.555 31.056 32.600 0.019 0.000 1.351 374 M HN 0.011 nan 8.290 nan 0.000 0.404 375 L N -0.625 120.714 121.223 0.193 0.000 2.083 375 L HA -0.212 4.134 4.340 0.009 0.000 0.209 375 L C 2.422 179.442 176.870 0.249 0.000 1.083 375 L CA 0.884 55.900 54.840 0.293 0.000 0.752 375 L CB -0.677 41.654 42.059 0.454 0.000 0.899 375 L HN 0.288 nan 8.230 nan 0.000 0.433 376 L N -0.363 120.903 121.223 0.070 0.000 2.027 376 L HA -0.166 4.179 4.340 0.009 0.000 0.206 376 L C 2.923 179.722 176.870 -0.119 0.000 1.074 376 L CA 1.198 55.949 54.840 -0.149 0.000 0.745 376 L CB -0.804 41.096 42.059 -0.264 0.000 0.898 376 L HN 0.226 nan 8.230 nan 0.000 0.433 377 A N -0.645 122.108 122.820 -0.111 0.000 1.902 377 A HA -0.286 4.040 4.320 0.009 0.000 0.217 377 A C 2.213 179.827 177.584 0.049 0.000 1.181 377 A CA 1.477 53.431 52.037 -0.138 0.000 0.623 377 A CB -0.930 18.009 19.000 -0.103 0.000 0.818 377 A HN 0.456 nan 8.150 nan 0.000 0.443 378 Y N 0.446 120.747 120.300 0.001 0.000 2.207 378 Y HA -0.152 4.404 4.550 0.009 0.000 0.287 378 Y C 1.906 177.836 175.900 0.049 0.000 1.156 378 Y CA 1.689 59.815 58.100 0.043 0.000 1.182 378 Y CB -0.249 38.248 38.460 0.062 0.000 0.979 378 Y HN 0.229 nan 8.280 nan 0.000 0.521 379 L N -1.017 120.227 121.223 0.035 0.000 2.109 379 L HA -0.191 4.154 4.340 0.009 0.000 0.207 379 L C 2.328 179.154 176.870 -0.073 0.000 1.086 379 L CA 0.826 55.642 54.840 -0.040 0.000 0.760 379 L CB -0.449 41.642 42.059 0.053 0.000 0.910 379 L HN 0.246 nan 8.230 nan 0.000 0.437 380 L N -1.084 120.099 121.223 -0.067 0.000 2.093 380 L HA -0.064 4.281 4.340 0.009 0.000 0.208 380 L C 0.373 177.262 176.870 0.031 0.000 1.085 380 L CA 0.879 55.690 54.840 -0.049 0.000 0.755 380 L CB 0.025 42.030 42.059 -0.090 0.000 0.904 380 L HN 0.227 nan 8.230 nan 0.000 0.435 381 D N -1.385 119.024 120.400 0.015 0.000 2.452 381 D HA 0.109 4.754 4.640 0.009 0.000 0.226 381 D C -2.198 174.095 176.300 -0.010 0.000 1.366 381 D CA -1.377 52.660 54.000 0.060 0.000 0.986 381 D CB 1.637 42.443 40.800 0.010 0.000 1.420 381 D HN -0.210 nan 8.370 nan 0.000 0.583 382 P HA -0.094 nan 4.420 nan 0.000 0.236 382 P C 0.864 178.200 177.300 0.061 0.000 1.172 382 P CA 0.510 63.448 63.100 -0.269 0.000 0.759 382 P CB 0.084 31.561 31.700 -0.371 0.000 0.843 383 S N -2.212 113.536 115.700 0.079 0.000 2.558 383 S HA 0.060 4.536 4.470 0.009 0.000 0.217 383 S C 0.903 175.569 174.600 0.111 0.000 0.975 383 S CA -0.380 57.877 58.200 0.094 0.000 0.912 383 S CB -0.753 62.483 63.200 0.061 0.000 0.776 383 S HN 0.003 nan 8.310 nan 0.000 0.526 384 N N 3.099 121.890 118.700 0.151 0.000 2.555 384 N HA 0.179 4.925 4.740 0.009 0.000 0.244 384 N C 0.571 176.201 175.510 0.200 0.000 1.114 384 N CA 0.492 53.641 53.050 0.164 0.000 0.963 384 N CB 1.380 39.991 38.487 0.207 0.000 1.276 384 N HN 0.642 nan 8.380 nan 0.000 0.510 385 T N -3.151 111.475 114.554 0.119 0.000 2.975 385 T HA 0.062 4.418 4.350 0.009 0.000 0.257 385 T C 0.809 175.500 174.700 -0.015 0.000 1.003 385 T CA -0.046 62.097 62.100 0.073 0.000 0.932 385 T CB 0.217 69.132 68.868 0.078 0.000 1.087 385 T HN 0.356 nan 8.240 nan 0.000 0.512 386 T N -0.349 114.182 114.554 -0.037 0.000 2.907 386 T HA 0.566 4.922 4.350 0.009 0.000 0.292 386 T C -2.254 172.324 174.700 -0.203 0.000 1.043 386 T CA -1.865 60.164 62.100 -0.120 0.000 1.003 386 T CB 2.570 71.384 68.868 -0.091 0.000 1.084 386 T HN -0.239 nan 8.240 nan 0.000 0.483 387 P HA -0.085 nan 4.420 nan 0.000 0.216 387 P C 0.945 177.989 177.300 -0.428 0.000 1.153 387 P CA 1.203 63.918 63.100 -0.642 0.000 0.848 387 P CB 0.279 31.053 31.700 -1.543 0.000 0.787 388 E N 0.507 120.488 120.200 -0.365 0.000 2.048 388 E HA -0.168 4.188 4.350 0.009 0.000 0.202 388 E C 2.449 179.041 176.600 -0.013 0.000 1.021 388 E CA 2.118 58.493 56.400 -0.042 0.000 0.825 388 E CB -1.551 28.170 29.700 0.035 0.000 0.756 388 E HN 0.323 nan 8.360 nan 0.000 0.454 389 G N 0.082 108.860 108.800 -0.037 0.000 2.402 389 G HA2 -0.215 3.750 3.960 0.009 0.000 0.216 389 G HA3 -0.215 3.750 3.960 0.009 0.000 0.216 389 G C 1.753 176.650 174.900 -0.004 0.000 1.162 389 G CA 0.869 45.958 45.100 -0.020 0.000 0.777 389 G HN 0.197 nan 8.290 nan 0.000 0.539 390 V N 1.512 121.441 119.914 0.026 0.000 2.392 390 V HA -0.150 3.975 4.120 0.009 0.000 0.249 390 V C 3.257 179.449 176.094 0.163 0.000 1.059 390 V CA 2.003 64.398 62.300 0.159 0.000 1.051 390 V CB -0.720 31.169 31.823 0.111 0.000 0.658 390 V HN 0.491 nan 8.190 nan 0.000 0.455 391 A N 0.359 123.223 122.820 0.072 0.000 1.854 391 A HA -0.164 4.162 4.320 0.009 0.000 0.214 391 A C 2.555 180.174 177.584 0.058 0.000 1.192 391 A CA 2.223 54.319 52.037 0.098 0.000 0.611 391 A CB -0.751 18.334 19.000 0.141 0.000 0.832 391 A HN 0.479 nan 8.150 nan 0.000 0.442 392 R N 0.124 120.638 120.500 0.023 0.000 2.120 392 R HA -0.095 4.250 4.340 0.009 0.000 0.234 392 R C 2.243 178.491 176.300 -0.086 0.000 1.123 392 R CA 2.106 58.197 56.100 -0.015 0.000 0.975 392 R CB -1.012 29.279 30.300 -0.015 0.000 0.866 392 R HN 0.742 nan 8.270 nan 0.000 0.446 393 R N -1.680 118.719 120.500 -0.169 0.000 2.140 393 R HA 0.046 4.391 4.340 0.009 0.000 0.213 393 R C 0.898 176.869 176.300 -0.549 0.000 1.059 393 R CA 1.257 57.109 56.100 -0.413 0.000 1.000 393 R CB 0.052 29.965 30.300 -0.646 0.000 0.910 393 R HN 0.527 nan 8.270 nan 0.000 0.455 394 Y N -1.414 118.874 120.300 -0.020 0.000 2.481 394 Y HA 0.441 4.997 4.550 0.009 0.000 0.247 394 Y C 0.728 176.619 175.900 -0.015 0.000 1.151 394 Y CA 0.069 58.154 58.100 -0.024 0.000 1.238 394 Y CB 1.878 40.320 38.460 -0.030 0.000 1.179 394 Y HN 0.296 nan 8.280 nan 0.000 0.524 395 G N -0.948 107.906 108.800 0.090 0.000 2.598 395 G HA2 0.348 4.313 3.960 0.009 0.000 0.221 395 G HA3 0.348 4.313 3.960 0.009 0.000 0.221 395 G C 0.124 175.060 174.900 0.059 0.000 1.019 395 G CA -0.187 44.953 45.100 0.066 0.000 0.912 395 G HN 0.690 nan 8.290 nan 0.000 0.574 396 G N -0.722 108.113 108.800 0.060 0.000 2.335 396 G HA2 0.574 4.540 3.960 0.009 0.000 0.291 396 G HA3 0.574 4.540 3.960 0.009 0.000 0.291 396 G C -1.803 173.144 174.900 0.079 0.000 1.261 396 G CA 0.226 45.366 45.100 0.066 0.000 0.871 396 G HN 0.655 nan 8.290 nan 0.000 0.491 397 E N -0.140 120.118 120.200 0.097 0.000 2.263 397 E HA 0.305 4.660 4.350 0.009 0.000 0.268 397 E C -1.221 175.490 176.600 0.184 0.000 0.884 397 E CA -0.944 55.526 56.400 0.116 0.000 0.766 397 E CB 1.751 31.488 29.700 0.063 0.000 1.196 397 E HN 0.604 nan 8.360 nan 0.000 0.416 398 W N 7.482 128.778 121.300 -0.006 0.000 2.485 398 W HA 0.088 4.754 4.660 0.010 0.000 0.315 398 W C -0.242 176.264 176.519 -0.022 0.000 1.304 398 W CA 0.036 57.371 57.345 -0.016 0.000 1.345 398 W CB 0.762 30.213 29.460 -0.015 0.000 1.368 398 W HN 0.700 nan 8.180 nan 0.000 0.497 399 T N 1.518 115.860 114.554 -0.353 0.000 2.861 399 T HA 0.293 4.648 4.350 0.009 0.000 0.265 399 T C 0.421 174.780 174.700 -0.569 0.000 1.104 399 T CA -0.143 61.746 62.100 -0.352 0.000 0.987 399 T CB 1.317 70.063 68.868 -0.204 0.000 2.051 399 T HN 0.374 nan 8.240 nan 0.000 0.570 400 E N -0.121 119.855 120.200 -0.373 0.000 2.676 400 E HA 0.271 4.626 4.350 0.009 0.000 0.222 400 E C -0.284 176.153 176.600 -0.271 0.000 0.968 400 E CA -0.143 56.048 56.400 -0.349 0.000 1.090 400 E CB 0.762 30.331 29.700 -0.219 0.000 1.066 400 E HN 0.566 nan 8.360 nan 0.000 0.496 401 E N 0.671 120.725 120.200 -0.244 0.000 2.175 401 E HA 0.415 4.771 4.350 0.009 0.000 0.278 401 E C 0.543 177.042 176.600 -0.167 0.000 0.969 401 E CA -0.226 56.075 56.400 -0.163 0.000 0.796 401 E CB 1.765 31.399 29.700 -0.110 0.000 1.104 401 E HN -0.007 nan 8.360 nan 0.000 0.395 402 A N 4.233 126.981 122.820 -0.121 0.000 1.902 402 A HA -0.131 4.195 4.320 0.009 0.000 0.217 402 A C 1.881 179.458 177.584 -0.011 0.000 1.181 402 A CA 1.947 53.941 52.037 -0.072 0.000 0.623 402 A CB -0.817 18.162 19.000 -0.035 0.000 0.818 402 A HN 0.731 nan 8.150 nan 0.000 0.443 403 G N -0.351 108.447 108.800 -0.004 0.000 2.446 403 G HA2 -0.258 3.708 3.960 0.009 0.000 0.217 403 G HA3 -0.258 3.708 3.960 0.009 0.000 0.217 403 G C 1.413 176.332 174.900 0.032 0.000 1.168 403 G CA 1.082 46.204 45.100 0.036 0.000 0.771 403 G HN 0.661 nan 8.290 nan 0.000 0.551 404 E N 0.065 120.258 120.200 -0.011 0.000 2.110 404 E HA -0.083 4.273 4.350 0.009 0.000 0.193 404 E C 2.738 179.342 176.600 0.007 0.000 0.988 404 E CA 0.562 56.955 56.400 -0.012 0.000 0.804 404 E CB -0.093 29.576 29.700 -0.052 0.000 0.745 404 E HN 0.357 nan 8.360 nan 0.000 0.458 405 R N 0.312 120.794 120.500 -0.029 0.000 2.115 405 R HA -0.034 4.312 4.340 0.009 0.000 0.230 405 R C 2.292 178.677 176.300 0.141 0.000 1.111 405 R CA 0.921 57.043 56.100 0.036 0.000 0.976 405 R CB -0.156 30.085 30.300 -0.098 0.000 0.870 405 R HN 0.100 nan 8.270 nan 0.000 0.445 406 A N 1.323 124.222 122.820 0.133 0.000 1.855 406 A HA -0.052 4.273 4.320 0.009 0.000 0.215 406 A C 2.376 180.057 177.584 0.162 0.000 1.191 406 A CA 1.494 53.647 52.037 0.194 0.000 0.613 406 A CB -0.664 18.458 19.000 0.204 0.000 0.829 406 A HN 0.353 nan 8.150 nan 0.000 0.442 407 A N -0.412 122.475 122.820 0.113 0.000 1.877 407 A HA -0.069 4.256 4.320 0.009 0.000 0.216 407 A C 2.152 179.765 177.584 0.048 0.000 1.186 407 A CA 1.810 53.893 52.037 0.076 0.000 0.620 407 A CB -0.721 18.314 19.000 0.058 0.000 0.822 407 A HN 0.732 nan 8.150 nan 0.000 0.443 408 L N 0.189 121.457 121.223 0.076 0.000 2.012 408 L HA -0.149 4.196 4.340 0.009 0.000 0.210 408 L C 2.510 179.421 176.870 0.068 0.000 1.073 408 L CA 2.694 57.588 54.840 0.090 0.000 0.748 408 L CB -0.737 41.419 42.059 0.161 0.000 0.891 408 L HN 0.308 nan 8.230 nan 0.000 0.431 409 S N -0.612 115.144 115.700 0.094 0.000 2.359 409 S HA -0.263 4.212 4.470 0.009 0.000 0.224 409 S C 1.837 176.292 174.600 -0.241 0.000 1.035 409 S CA 1.494 59.733 58.200 0.065 0.000 1.018 409 S CB -0.403 62.929 63.200 0.220 0.000 0.876 409 S HN 0.643 nan 8.310 nan 0.000 0.448 410 E N 1.655 121.586 120.200 -0.448 0.000 2.038 410 E HA -0.269 4.086 4.350 0.009 0.000 0.195 410 E C 2.296 178.618 176.600 -0.464 0.000 1.000 410 E CA 1.455 57.255 56.400 -1.000 0.000 0.803 410 E CB -0.151 29.298 29.700 -0.419 0.000 0.750 410 E HN 0.609 nan 8.360 nan 0.000 0.448 411 R N 0.461 120.851 120.500 -0.183 0.000 2.092 411 R HA -0.092 4.253 4.340 0.009 0.000 0.231 411 R C 2.516 178.788 176.300 -0.047 0.000 1.119 411 R CA 1.411 57.465 56.100 -0.076 0.000 0.970 411 R CB -0.716 29.573 30.300 -0.018 0.000 0.864 411 R HN 0.221 nan 8.270 nan 0.000 0.440 412 L N 0.086 121.294 121.223 -0.025 0.000 2.017 412 L HA -0.139 4.206 4.340 0.009 0.000 0.208 412 L C 2.599 179.455 176.870 -0.023 0.000 1.073 412 L CA 1.471 56.317 54.840 0.010 0.000 0.745 412 L CB -0.552 41.538 42.059 0.051 0.000 0.894 412 L HN 0.151 nan 8.230 nan 0.000 0.432 413 F N 0.830 120.685 119.950 -0.158 0.000 2.171 413 F HA -0.208 4.325 4.527 0.009 0.000 0.300 413 F C 2.426 178.208 175.800 -0.029 0.000 1.090 413 F CA 1.128 59.067 58.000 -0.101 0.000 1.293 413 F CB -0.248 38.653 39.000 -0.166 0.000 1.013 413 F HN -0.002 nan 8.300 nan 0.000 0.486 414 A N 0.216 122.992 122.820 -0.074 0.000 1.865 414 A HA -0.268 4.057 4.320 0.009 0.000 0.217 414 A C 2.065 179.605 177.584 -0.073 0.000 1.191 414 A CA 2.099 54.106 52.037 -0.049 0.000 0.623 414 A CB -1.250 17.749 19.000 -0.002 0.000 0.826 414 A HN 0.518 nan 8.150 nan 0.000 0.444 415 N N -0.226 118.435 118.700 -0.066 0.000 2.106 415 N HA -0.059 4.687 4.740 0.009 0.000 0.188 415 N C 1.603 177.036 175.510 -0.128 0.000 1.029 415 N CA 1.571 54.590 53.050 -0.052 0.000 0.848 415 N CB -0.348 38.144 38.487 0.009 0.000 1.007 415 N HN 0.447 nan 8.380 nan 0.000 0.423 416 L N -0.781 120.309 121.223 -0.221 0.000 2.083 416 L HA -0.155 4.190 4.340 0.009 0.000 0.209 416 L C 2.288 178.959 176.870 -0.332 0.000 1.083 416 L CA 0.870 55.502 54.840 -0.348 0.000 0.752 416 L CB -0.498 41.316 42.059 -0.408 0.000 0.899 416 L HN 0.449 nan 8.230 nan 0.000 0.433 417 W N 1.165 122.114 121.300 -0.585 0.000 2.374 417 W HA -0.146 4.519 4.660 0.009 0.000 0.288 417 W C 1.963 178.297 176.519 -0.309 0.000 1.218 417 W CA 1.595 58.599 57.345 -0.569 0.000 1.245 417 W CB -0.177 28.787 29.460 -0.828 0.000 1.126 417 W HN 0.197 nan 8.180 nan 0.000 0.545 418 G N 0.824 109.524 108.800 -0.167 0.000 2.402 418 G HA2 -0.274 3.691 3.960 0.009 0.000 0.216 418 G HA3 -0.274 3.691 3.960 0.009 0.000 0.216 418 G C 1.592 176.364 174.900 -0.214 0.000 1.162 418 G CA 0.676 45.685 45.100 -0.152 0.000 0.777 418 G HN 0.228 nan 8.290 nan 0.000 0.539 419 R N -0.230 120.147 120.500 -0.206 0.000 2.200 419 R HA 0.066 4.412 4.340 0.009 0.000 0.234 419 R C 2.043 178.201 176.300 -0.235 0.000 1.127 419 R CA 0.553 56.545 56.100 -0.181 0.000 0.989 419 R CB -0.303 29.902 30.300 -0.157 0.000 0.869 419 R HN 0.342 nan 8.270 nan 0.000 0.459 420 L N 0.852 121.853 121.223 -0.370 0.000 2.591 420 L HA 0.059 4.405 4.340 0.009 0.000 0.228 420 L C 0.882 177.504 176.870 -0.413 0.000 1.133 420 L CA -0.140 54.449 54.840 -0.420 0.000 0.880 420 L CB -0.392 41.297 42.059 -0.616 0.000 1.033 420 L HN 0.201 nan 8.230 nan 0.000 0.450 421 E N 1.026 121.015 120.200 -0.352 0.000 2.271 421 E HA 0.350 4.706 4.350 0.009 0.000 0.255 421 E C 1.260 177.766 176.600 -0.158 0.000 1.177 421 E CA 0.501 56.748 56.400 -0.254 0.000 0.946 421 E CB -0.627 28.972 29.700 -0.168 0.000 1.009 421 E HN 0.502 nan 8.360 nan 0.000 0.451 422 G N 1.937 110.652 108.800 -0.141 0.000 2.201 422 G HA2 -0.179 3.786 3.960 0.009 0.000 0.212 422 G HA3 -0.179 3.786 3.960 0.009 0.000 0.212 422 G C 0.397 175.254 174.900 -0.070 0.000 0.994 422 G CA 0.060 45.112 45.100 -0.079 0.000 0.644 422 G HN 0.549 nan 8.290 nan 0.000 0.508 423 E N 1.278 121.413 120.200 -0.108 0.000 2.261 423 E HA 0.442 4.798 4.350 0.009 0.000 0.308 423 E C 1.635 178.207 176.600 -0.046 0.000 1.400 423 E CA 0.655 57.008 56.400 -0.079 0.000 1.542 423 E CB -0.249 29.381 29.700 -0.116 0.000 1.369 423 E HN 0.802 nan 8.360 nan 0.000 0.493 424 E N 2.311 122.503 120.200 -0.014 0.000 2.108 424 E HA -0.278 4.077 4.350 0.009 0.000 0.203 424 E C 1.851 178.505 176.600 0.089 0.000 1.022 424 E CA 1.434 57.855 56.400 0.035 0.000 0.823 424 E CB -0.513 29.208 29.700 0.034 0.000 0.744 424 E HN 0.210 nan 8.360 nan 0.000 0.456 425 R N -0.569 119.968 120.500 0.061 0.000 2.092 425 R HA 0.066 4.411 4.340 0.009 0.000 0.231 425 R C 2.679 179.073 176.300 0.157 0.000 1.119 425 R CA 1.310 57.462 56.100 0.086 0.000 0.970 425 R CB -0.420 29.904 30.300 0.039 0.000 0.864 425 R HN 0.468 nan 8.270 nan 0.000 0.440 426 L N 0.464 121.740 121.223 0.089 0.000 2.109 426 L HA -0.097 4.248 4.340 0.009 0.000 0.207 426 L C 2.427 179.373 176.870 0.126 0.000 1.086 426 L CA 0.809 55.700 54.840 0.086 0.000 0.760 426 L CB -0.344 41.709 42.059 -0.010 0.000 0.910 426 L HN 0.131 nan 8.230 nan 0.000 0.437 427 L N -1.635 119.639 121.223 0.085 0.000 2.083 427 L HA -0.233 4.112 4.340 0.009 0.000 0.209 427 L C 2.401 179.397 176.870 0.210 0.000 1.083 427 L CA 1.372 56.281 54.840 0.115 0.000 0.752 427 L CB -0.509 41.565 42.059 0.026 0.000 0.899 427 L HN 0.398 nan 8.230 nan 0.000 0.433 428 W N 0.768 122.097 121.300 0.049 0.000 2.355 428 W HA -0.212 4.453 4.660 0.009 0.000 0.309 428 W C 2.269 178.803 176.519 0.025 0.000 1.206 428 W CA 1.409 58.764 57.345 0.017 0.000 1.284 428 W CB -0.150 29.280 29.460 -0.050 0.000 1.145 428 W HN -0.054 nan 8.180 nan 0.000 0.502 429 L N -0.415 120.997 121.223 0.315 0.000 2.131 429 L HA -0.245 4.100 4.340 0.009 0.000 0.210 429 L C 2.370 179.283 176.870 0.072 0.000 1.092 429 L CA 1.445 56.404 54.840 0.199 0.000 0.759 429 L CB -0.943 41.301 42.059 0.309 0.000 0.903 429 L HN 0.135 nan 8.230 nan 0.000 0.435 430 Y N 0.640 120.950 120.300 0.016 0.000 2.206 430 Y HA -0.138 4.418 4.550 0.009 0.000 0.292 430 Y C 2.634 178.533 175.900 -0.002 0.000 1.123 430 Y CA 1.419 59.548 58.100 0.048 0.000 1.142 430 Y CB -0.022 38.512 38.460 0.122 0.000 1.006 430 Y HN -0.056 nan 8.280 nan 0.000 0.518 431 R N -0.418 119.997 120.500 -0.142 0.000 2.173 431 R HA -0.012 4.334 4.340 0.009 0.000 0.208 431 R C 1.603 177.691 176.300 -0.354 0.000 1.035 431 R CA 0.993 56.940 56.100 -0.255 0.000 1.004 431 R CB 0.076 30.357 30.300 -0.032 0.000 0.917 431 R HN 0.284 nan 8.270 nan 0.000 0.462 432 E N -0.101 119.767 120.200 -0.553 0.000 2.400 432 E HA 0.025 4.381 4.350 0.009 0.000 0.195 432 E C 1.535 177.823 176.600 -0.520 0.000 1.012 432 E CA 0.583 56.555 56.400 -0.713 0.000 0.875 432 E CB 0.687 29.455 29.700 -1.554 0.000 0.859 432 E HN 0.093 nan 8.360 nan 0.000 0.498 433 V N 0.599 120.277 119.914 -0.392 0.000 3.444 433 V HA -0.019 4.106 4.120 0.009 0.000 0.210 433 V C 1.911 177.936 176.094 -0.116 0.000 1.217 433 V CA 0.192 62.383 62.300 -0.181 0.000 1.302 433 V CB -0.127 31.670 31.823 -0.044 0.000 1.341 433 V HN -0.047 nan 8.190 nan 0.000 0.522 434 E N 1.115 121.271 120.200 -0.075 0.000 2.005 434 E HA -0.256 4.099 4.350 0.009 0.000 0.198 434 E C 2.114 178.625 176.600 -0.147 0.000 1.010 434 E CA 1.862 58.239 56.400 -0.040 0.000 0.825 434 E CB -0.494 29.270 29.700 0.107 0.000 0.769 434 E HN 0.387 nan 8.360 nan 0.000 0.456 435 R N 0.842 121.126 120.500 -0.360 0.000 2.115 435 R HA -0.152 4.194 4.340 0.009 0.000 0.239 435 R C -0.483 175.686 176.300 -0.219 0.000 1.133 435 R CA 2.623 58.497 56.100 -0.376 0.000 0.935 435 R CB -1.123 28.776 30.300 -0.668 0.000 0.853 435 R HN 0.192 nan 8.270 nan 0.000 0.433 436 P HA -0.172 nan 4.420 nan 0.000 0.217 436 P C 1.523 178.747 177.300 -0.125 0.000 1.150 436 P CA 0.981 63.997 63.100 -0.140 0.000 0.832 436 P CB -0.199 31.423 31.700 -0.129 0.000 0.787 437 L N 1.480 122.631 121.223 -0.120 0.000 2.043 437 L HA -0.183 4.163 4.340 0.009 0.000 0.212 437 L C 2.584 179.377 176.870 -0.130 0.000 1.075 437 L CA 2.643 57.416 54.840 -0.112 0.000 0.752 437 L CB -1.681 40.336 42.059 -0.069 0.000 0.891 437 L HN 0.046 nan 8.230 nan 0.000 0.432 438 S N -0.428 115.209 115.700 -0.106 0.000 2.387 438 S HA -0.234 4.241 4.470 0.009 0.000 0.230 438 S C 2.123 176.640 174.600 -0.140 0.000 1.035 438 S CA 1.198 59.342 58.200 -0.094 0.000 1.014 438 S CB -1.171 61.993 63.200 -0.060 0.000 0.836 438 S HN 0.594 nan 8.310 nan 0.000 0.466 439 A N 1.453 124.178 122.820 -0.158 0.000 1.898 439 A HA 0.102 4.428 4.320 0.009 0.000 0.216 439 A C 2.451 179.847 177.584 -0.312 0.000 1.181 439 A CA 1.534 53.455 52.037 -0.194 0.000 0.620 439 A CB -1.119 17.817 19.000 -0.106 0.000 0.819 439 A HN 0.474 nan 8.150 nan 0.000 0.442 440 V N 0.405 120.080 119.914 -0.400 0.000 2.287 440 V HA -0.287 3.838 4.120 0.009 0.000 0.248 440 V C 2.566 178.393 176.094 -0.446 0.000 1.053 440 V CA 2.060 63.935 62.300 -0.709 0.000 1.027 440 V CB -0.871 30.636 31.823 -0.527 0.000 0.646 440 V HN 0.582 nan 8.190 nan 0.000 0.447 441 L N 0.006 121.064 121.223 -0.275 0.000 2.079 441 L HA -0.187 4.159 4.340 0.009 0.000 0.210 441 L C 2.735 179.547 176.870 -0.097 0.000 1.081 441 L CA 1.477 56.219 54.840 -0.163 0.000 0.752 441 L CB -0.890 41.127 42.059 -0.069 0.000 0.896 441 L HN 0.387 nan 8.230 nan 0.000 0.433 442 A N -0.566 122.150 122.820 -0.172 0.000 1.858 442 A HA -0.236 4.090 4.320 0.009 0.000 0.216 442 A C 2.150 179.617 177.584 -0.196 0.000 1.190 442 A CA 1.506 53.429 52.037 -0.191 0.000 0.617 442 A CB -0.812 18.007 19.000 -0.303 0.000 0.827 442 A HN 0.400 nan 8.150 nan 0.000 0.443 443 H N -0.561 118.439 119.070 -0.117 0.000 2.352 443 H HA -0.109 4.452 4.556 0.009 0.000 0.299 443 H C 2.208 177.532 175.328 -0.006 0.000 1.097 443 H CA 1.954 57.978 56.048 -0.040 0.000 1.311 443 H CB -0.445 29.319 29.762 0.003 0.000 1.377 443 H HN 0.512 nan 8.280 nan 0.000 0.504 444 M N 0.449 120.075 119.600 0.043 0.000 2.080 444 M HA -0.168 4.318 4.480 0.009 0.000 0.260 444 M C 2.266 178.649 176.300 0.138 0.000 1.068 444 M CA 1.610 56.937 55.300 0.045 0.000 1.109 444 M CB -0.241 32.295 32.600 -0.106 0.000 1.342 444 M HN 0.267 nan 8.290 nan 0.000 0.405 445 E N 0.430 120.736 120.200 0.176 0.000 2.051 445 E HA -0.176 4.179 4.350 0.009 0.000 0.192 445 E C 2.117 178.854 176.600 0.228 0.000 0.991 445 E CA 1.447 57.977 56.400 0.216 0.000 0.799 445 E CB -0.237 29.567 29.700 0.174 0.000 0.748 445 E HN 0.541 nan 8.360 nan 0.000 0.449 446 A N 0.936 123.841 122.820 0.140 0.000 2.014 446 A HA -0.105 4.221 4.320 0.009 0.000 0.218 446 A C 2.303 179.999 177.584 0.187 0.000 1.163 446 A CA 1.465 53.574 52.037 0.120 0.000 0.652 446 A CB -0.515 18.491 19.000 0.011 0.000 0.808 446 A HN 0.151 nan 8.150 nan 0.000 0.449 447 T N -0.590 114.042 114.554 0.129 0.000 2.732 447 T HA 0.352 4.708 4.350 0.009 0.000 0.261 447 T C 1.388 176.052 174.700 -0.059 0.000 1.040 447 T CA 1.363 63.495 62.100 0.054 0.000 1.145 447 T CB -0.719 68.171 68.868 0.037 0.000 0.866 447 T HN 1.520 nan 8.240 nan 0.000 0.427 448 G N 0.337 109.046 108.800 -0.151 0.000 2.698 448 G HA2 -0.072 3.894 3.960 0.009 0.000 0.233 448 G HA3 -0.072 3.894 3.960 0.009 0.000 0.233 448 G C -0.646 174.105 174.900 -0.249 0.000 1.352 448 G CA -0.351 44.472 45.100 -0.460 0.000 0.879 448 G HN 0.971 nan 8.290 nan 0.000 0.567 449 V N 0.034 119.808 119.914 -0.233 0.000 2.971 449 V HA 0.790 4.915 4.120 0.009 0.000 0.309 449 V C 0.480 176.506 176.094 -0.113 0.000 1.130 449 V CA -0.202 62.030 62.300 -0.114 0.000 0.964 449 V CB 1.815 33.643 31.823 0.008 0.000 1.029 449 V HN 1.208 nan 8.190 nan 0.000 0.427 450 R N 3.403 123.840 120.500 -0.105 0.000 2.539 450 R HA 0.628 4.974 4.340 0.009 0.000 0.275 450 R C -1.471 174.740 176.300 -0.147 0.000 1.077 450 R CA -0.355 55.679 56.100 -0.109 0.000 1.097 450 R CB 1.296 31.534 30.300 -0.103 0.000 1.018 450 R HN 0.635 nan 8.270 nan 0.000 0.483 451 L N 2.050 123.174 121.223 -0.164 0.000 2.388 451 L HA 0.290 4.635 4.340 0.009 0.000 0.264 451 L C -1.199 175.594 176.870 -0.129 0.000 0.998 451 L CA -0.425 54.264 54.840 -0.252 0.000 0.817 451 L CB 2.079 43.949 42.059 -0.316 0.000 1.338 451 L HN 0.597 nan 8.230 nan 0.000 0.414 452 D N 2.918 123.252 120.400 -0.110 0.000 2.494 452 D HA 0.136 4.781 4.640 0.009 0.000 0.217 452 D C 1.023 177.357 176.300 0.057 0.000 1.153 452 D CA 0.052 54.039 54.000 -0.022 0.000 0.954 452 D CB 0.932 41.700 40.800 -0.053 0.000 1.034 452 D HN 0.412 nan 8.370 nan 0.000 0.518 453 V N 3.554 123.486 119.914 0.030 0.000 2.332 453 V HA -0.284 3.842 4.120 0.009 0.000 0.248 453 V C 2.541 178.675 176.094 0.066 0.000 1.055 453 V CA 2.194 64.519 62.300 0.043 0.000 1.038 453 V CB -0.614 31.227 31.823 0.029 0.000 0.651 453 V HN 0.618 nan 8.190 nan 0.000 0.450 454 A N -1.110 121.754 122.820 0.073 0.000 1.933 454 A HA -0.261 4.064 4.320 0.009 0.000 0.218 454 A C 2.141 179.789 177.584 0.107 0.000 1.175 454 A CA 2.000 54.080 52.037 0.073 0.000 0.628 454 A CB -0.739 18.301 19.000 0.067 0.000 0.814 454 A HN 0.642 nan 8.150 nan 0.000 0.444 455 Y N 0.656 120.956 120.300 0.000 0.000 2.097 455 Y HA -0.195 4.360 4.550 0.009 0.000 0.282 455 Y C 1.968 177.874 175.900 0.009 0.000 1.152 455 Y CA 2.075 60.179 58.100 0.006 0.000 1.136 455 Y CB -0.331 38.133 38.460 0.006 0.000 0.975 455 Y HN 0.220 nan 8.280 nan 0.000 0.498 456 L N -0.588 120.682 121.223 0.078 0.000 2.093 456 L HA -0.160 4.185 4.340 0.009 0.000 0.208 456 L C 2.589 179.433 176.870 -0.043 0.000 1.085 456 L CA 1.341 56.169 54.840 -0.021 0.000 0.755 456 L CB -0.544 41.556 42.059 0.069 0.000 0.904 456 L HN 0.075 nan 8.230 nan 0.000 0.435 457 R N 0.566 121.061 120.500 -0.008 0.000 2.096 457 R HA -0.188 4.158 4.340 0.009 0.000 0.240 457 R C 2.272 178.551 176.300 -0.036 0.000 1.139 457 R CA 1.885 57.978 56.100 -0.011 0.000 0.952 457 R CB -0.446 29.858 30.300 0.006 0.000 0.854 457 R HN 0.376 nan 8.270 nan 0.000 0.436 458 A N -0.105 122.681 122.820 -0.056 0.000 1.970 458 A HA -0.005 4.320 4.320 0.009 0.000 0.216 458 A C 2.137 179.653 177.584 -0.113 0.000 1.170 458 A CA 0.760 52.755 52.037 -0.070 0.000 0.645 458 A CB -0.480 18.484 19.000 -0.059 0.000 0.816 458 A HN 0.393 nan 8.150 nan 0.000 0.447 459 L N -0.463 120.647 121.223 -0.189 0.000 2.083 459 L HA -0.153 4.192 4.340 0.009 0.000 0.209 459 L C 2.692 179.493 176.870 -0.115 0.000 1.083 459 L CA 1.812 56.525 54.840 -0.213 0.000 0.752 459 L CB -0.242 41.619 42.059 -0.329 0.000 0.899 459 L HN 0.474 nan 8.230 nan 0.000 0.433 460 S N -0.095 115.555 115.700 -0.083 0.000 2.359 460 S HA -0.191 4.284 4.470 0.009 0.000 0.224 460 S C 1.949 176.522 174.600 -0.045 0.000 1.035 460 S CA 1.353 59.523 58.200 -0.051 0.000 1.018 460 S CB -0.271 62.908 63.200 -0.034 0.000 0.876 460 S HN 0.458 nan 8.310 nan 0.000 0.448 461 L N 1.130 122.327 121.223 -0.043 0.000 2.083 461 L HA -0.110 4.236 4.340 0.009 0.000 0.209 461 L C 2.753 179.602 176.870 -0.035 0.000 1.083 461 L CA 1.903 56.723 54.840 -0.033 0.000 0.752 461 L CB -0.678 41.364 42.059 -0.028 0.000 0.899 461 L HN 0.505 nan 8.230 nan 0.000 0.433 462 E N 0.737 120.909 120.200 -0.047 0.000 2.017 462 E HA -0.205 4.150 4.350 0.009 0.000 0.193 462 E C 2.209 178.785 176.600 -0.040 0.000 0.997 462 E CA 2.080 58.454 56.400 -0.044 0.000 0.804 462 E CB 0.003 29.669 29.700 -0.058 0.000 0.757 462 E HN 0.352 nan 8.360 nan 0.000 0.448 463 V N -0.619 119.266 119.914 -0.048 0.000 2.490 463 V HA -0.149 3.976 4.120 0.009 0.000 0.250 463 V C 2.413 178.482 176.094 -0.042 0.000 1.061 463 V CA 1.685 63.958 62.300 -0.046 0.000 1.064 463 V CB -1.253 30.539 31.823 -0.050 0.000 0.670 463 V HN 0.370 nan 8.190 nan 0.000 0.461 464 A N 0.783 123.580 122.820 -0.037 0.000 1.917 464 A HA -0.270 4.055 4.320 0.009 0.000 0.219 464 A C 2.161 179.734 177.584 -0.019 0.000 1.182 464 A CA 2.284 54.304 52.037 -0.029 0.000 0.633 464 A CB -0.658 18.329 19.000 -0.022 0.000 0.819 464 A HN 0.711 nan 8.150 nan 0.000 0.448 465 E N -0.812 119.377 120.200 -0.018 0.000 2.107 465 E HA -0.139 4.217 4.350 0.009 0.000 0.191 465 E C 2.014 178.607 176.600 -0.011 0.000 0.982 465 E CA 0.880 57.273 56.400 -0.012 0.000 0.809 465 E CB -0.098 29.595 29.700 -0.012 0.000 0.756 465 E HN 0.509 nan 8.360 nan 0.000 0.459 466 E N 0.772 120.962 120.200 -0.017 0.000 2.106 466 E HA -0.133 4.222 4.350 0.009 0.000 0.192 466 E C 2.128 178.724 176.600 -0.006 0.000 0.984 466 E CA 0.643 57.034 56.400 -0.014 0.000 0.806 466 E CB -0.058 29.630 29.700 -0.020 0.000 0.750 466 E HN 0.330 nan 8.360 nan 0.000 0.458 467 I N 0.899 121.461 120.570 -0.013 0.000 2.179 467 I HA -0.291 3.884 4.170 0.009 0.000 0.242 467 I C 2.496 178.649 176.117 0.061 0.000 1.088 467 I CA 1.139 62.447 61.300 0.013 0.000 1.357 467 I CB -0.370 37.596 38.000 -0.056 0.000 1.051 467 I HN 0.011 nan 8.210 nan 0.000 0.409 468 A N 0.754 123.588 122.820 0.023 0.000 1.883 468 A HA -0.286 4.039 4.320 0.009 0.000 0.217 468 A C 2.434 180.002 177.584 -0.026 0.000 1.186 468 A CA 2.046 54.087 52.037 0.006 0.000 0.624 468 A CB -0.765 18.239 19.000 0.008 0.000 0.822 468 A HN 0.383 nan 8.150 nan 0.000 0.444 469 R N -0.505 119.984 120.500 -0.018 0.000 2.127 469 R HA -0.089 4.256 4.340 0.009 0.000 0.238 469 R C 1.892 178.161 176.300 -0.051 0.000 1.134 469 R CA 1.584 57.667 56.100 -0.028 0.000 0.975 469 R CB -0.340 29.951 30.300 -0.016 0.000 0.865 469 R HN 0.551 nan 8.270 nan 0.000 0.447 470 L N 0.508 121.708 121.223 -0.037 0.000 2.095 470 L HA -0.112 4.234 4.340 0.009 0.000 0.204 470 L C 2.572 179.314 176.870 -0.214 0.000 1.080 470 L CA 1.465 56.271 54.840 -0.056 0.000 0.759 470 L CB -0.489 41.599 42.059 0.049 0.000 0.914 470 L HN 0.350 nan 8.230 nan 0.000 0.439 471 E N 0.918 120.942 120.200 -0.293 0.000 2.077 471 E HA -0.231 4.124 4.350 0.009 0.000 0.193 471 E C 2.167 178.221 176.600 -0.910 0.000 0.989 471 E CA 1.208 57.128 56.400 -0.800 0.000 0.800 471 E CB -0.386 28.871 29.700 -0.738 0.000 0.746 471 E HN 0.354 nan 8.360 nan 0.000 0.452 472 A N 1.453 124.021 122.820 -0.421 0.000 1.986 472 A HA -0.238 4.088 4.320 0.009 0.000 0.220 472 A C 2.160 179.652 177.584 -0.153 0.000 1.171 472 A CA 1.783 53.707 52.037 -0.189 0.000 0.640 472 A CB -0.414 18.553 19.000 -0.055 0.000 0.811 472 A HN 0.219 nan 8.150 nan 0.000 0.451 473 E N -0.355 119.738 120.200 -0.180 0.000 2.051 473 E HA -0.058 4.298 4.350 0.009 0.000 0.189 473 E C 2.282 178.810 176.600 -0.120 0.000 0.979 473 E CA 1.128 57.466 56.400 -0.102 0.000 0.803 473 E CB -0.517 29.139 29.700 -0.073 0.000 0.761 473 E HN 0.355 nan 8.360 nan 0.000 0.451 474 V N 1.537 121.294 119.914 -0.261 0.000 2.278 474 V HA -0.284 3.841 4.120 0.009 0.000 0.251 474 V C 2.257 178.327 176.094 -0.040 0.000 1.062 474 V CA 1.885 64.048 62.300 -0.227 0.000 1.038 474 V CB -0.718 30.826 31.823 -0.465 0.000 0.646 474 V HN 0.127 nan 8.190 nan 0.000 0.447 475 F N 0.234 120.123 119.950 -0.102 0.000 2.171 475 F HA -0.078 4.455 4.527 0.010 0.000 0.300 475 F C 2.518 178.295 175.800 -0.038 0.000 1.090 475 F CA 1.482 59.439 58.000 -0.071 0.000 1.293 475 F CB -1.053 37.892 39.000 -0.093 0.000 1.013 475 F HN 0.053 nan 8.300 nan 0.000 0.486 476 R N 0.421 121.013 120.500 0.154 0.000 2.070 476 R HA -0.144 4.202 4.340 0.009 0.000 0.233 476 R C 2.076 178.427 176.300 0.084 0.000 1.137 476 R CA 1.204 57.363 56.100 0.098 0.000 0.945 476 R CB -0.349 29.986 30.300 0.059 0.000 0.845 476 R HN 0.149 nan 8.270 nan 0.000 0.430 477 L N 0.367 121.637 121.223 0.079 0.000 2.265 477 L HA -0.077 4.269 4.340 0.009 0.000 0.215 477 L C 2.289 179.210 176.870 0.086 0.000 1.117 477 L CA 1.708 56.614 54.840 0.110 0.000 0.782 477 L CB -1.231 40.917 42.059 0.148 0.000 0.914 477 L HN 0.352 nan 8.230 nan 0.000 0.441 478 A N -1.151 121.696 122.820 0.044 0.000 2.132 478 A HA 0.348 4.673 4.320 0.009 0.000 0.213 478 A C 1.844 179.401 177.584 -0.045 0.000 1.154 478 A CA 0.876 52.878 52.037 -0.059 0.000 0.753 478 A CB -0.143 18.790 19.000 -0.111 0.000 0.826 478 A HN 0.473 nan 8.150 nan 0.000 0.469 479 G N -0.810 108.010 108.800 0.034 0.000 2.143 479 G HA2 -0.174 3.791 3.960 0.009 0.000 0.249 479 G HA3 -0.174 3.791 3.960 0.009 0.000 0.249 479 G C 0.065 175.062 174.900 0.162 0.000 0.981 479 G CA 1.062 46.218 45.100 0.094 0.000 0.665 479 G HN 2.194 nan 8.290 nan 0.000 0.528 480 H N -2.801 116.321 119.070 0.087 0.000 3.057 480 H HA 0.592 5.154 4.556 0.009 0.000 0.308 480 H C -3.254 172.080 175.328 0.011 0.000 1.276 480 H CA -0.994 55.071 56.048 0.027 0.000 1.325 480 H CB 0.398 30.157 29.762 -0.005 0.000 1.963 480 H HN 0.174 nan 8.280 nan 0.000 0.524 481 P HA 0.384 nan 4.420 nan 0.000 0.276 481 P C -0.958 176.152 177.300 -0.317 0.000 1.244 481 P CA -0.137 62.358 63.100 -1.008 0.000 0.801 481 P CB 1.133 32.259 31.700 -0.956 0.000 1.006 482 F N -2.439 117.065 119.950 -0.744 0.000 2.842 482 F HA 0.374 4.906 4.527 0.009 0.000 0.319 482 F C -1.081 174.688 175.800 -0.052 0.000 1.159 482 F CA -1.455 56.426 58.000 -0.198 0.000 0.902 482 F CB 0.080 39.075 39.000 -0.008 0.000 1.311 482 F HN 0.086 nan 8.300 nan 0.000 0.453 483 N N 2.322 121.054 118.700 0.054 0.000 2.400 483 N HA 0.100 4.846 4.740 0.009 0.000 0.267 483 N C 0.594 176.081 175.510 -0.039 0.000 1.208 483 N CA 0.074 53.128 53.050 0.007 0.000 0.951 483 N CB 0.545 39.083 38.487 0.085 0.000 1.227 483 N HN 0.905 nan 8.380 nan 0.000 0.488 484 L N 2.998 124.050 121.223 -0.284 0.000 2.265 484 L HA -0.094 4.252 4.340 0.009 0.000 0.215 484 L C 1.020 177.901 176.870 0.018 0.000 1.117 484 L CA 0.764 55.403 54.840 -0.335 0.000 0.782 484 L CB -0.062 41.523 42.059 -0.789 0.000 0.914 484 L HN 0.535 nan 8.230 nan 0.000 0.441 485 N N -0.800 117.965 118.700 0.109 0.000 2.515 485 N HA -0.074 4.672 4.740 0.009 0.000 0.185 485 N C 0.679 176.266 175.510 0.127 0.000 1.109 485 N CA 0.283 53.431 53.050 0.162 0.000 0.903 485 N CB 0.156 38.725 38.487 0.138 0.000 0.969 485 N HN 0.052 nan 8.380 nan 0.000 0.450 486 S N 1.131 116.912 115.700 0.136 0.000 2.400 486 S HA 0.157 4.632 4.470 0.009 0.000 0.295 486 S C 1.414 176.106 174.600 0.153 0.000 1.113 486 S CA -0.786 57.496 58.200 0.137 0.000 1.064 486 S CB 0.702 63.993 63.200 0.151 0.000 0.990 486 S HN 0.327 nan 8.310 nan 0.000 0.502 487 R N 3.842 124.414 120.500 0.120 0.000 2.096 487 R HA -0.088 4.257 4.340 0.009 0.000 0.235 487 R C 0.794 177.161 176.300 0.111 0.000 1.127 487 R CA 1.887 58.056 56.100 0.116 0.000 0.968 487 R CB -0.496 29.862 30.300 0.097 0.000 0.861 487 R HN 0.431 nan 8.270 nan 0.000 0.440 488 D N 0.949 121.407 120.400 0.097 0.000 2.117 488 D HA -0.156 4.490 4.640 0.009 0.000 0.197 488 D C 2.080 178.422 176.300 0.070 0.000 0.987 488 D CA 1.389 55.438 54.000 0.081 0.000 0.829 488 D CB -0.265 40.574 40.800 0.065 0.000 0.961 488 D HN 0.473 nan 8.370 nan 0.000 0.460 489 Q N -0.237 119.622 119.800 0.097 0.000 2.119 489 Q HA -0.104 4.242 4.340 0.009 0.000 0.201 489 Q C 2.172 178.145 176.000 -0.045 0.000 0.972 489 Q CA 0.505 56.353 55.803 0.075 0.000 0.847 489 Q CB -0.041 28.841 28.738 0.240 0.000 0.903 489 Q HN 0.166 nan 8.270 nan 0.000 0.433 490 L N 0.907 122.183 121.223 0.088 0.000 2.156 490 L HA -0.117 4.229 4.340 0.009 0.000 0.208 490 L C 2.075 178.869 176.870 -0.127 0.000 1.095 490 L CA 1.651 56.500 54.840 0.015 0.000 0.770 490 L CB -0.315 41.844 42.059 0.167 0.000 0.914 490 L HN 0.165 nan 8.230 nan 0.000 0.439 491 E N -0.285 119.905 120.200 -0.016 0.000 2.031 491 E HA -0.282 4.074 4.350 0.009 0.000 0.193 491 E C 2.293 178.893 176.600 0.001 0.000 0.994 491 E CA 1.436 57.877 56.400 0.069 0.000 0.800 491 E CB -0.057 29.765 29.700 0.204 0.000 0.752 491 E HN 0.475 nan 8.360 nan 0.000 0.447 492 R N -0.064 120.425 120.500 -0.018 0.000 2.103 492 R HA -0.153 4.193 4.340 0.009 0.000 0.242 492 R C 2.458 178.679 176.300 -0.133 0.000 1.142 492 R CA 1.505 57.581 56.100 -0.040 0.000 0.960 492 R CB -0.343 29.925 30.300 -0.055 0.000 0.858 492 R HN 0.133 nan 8.270 nan 0.000 0.439 493 V N 1.254 121.005 119.914 -0.270 0.000 2.307 493 V HA -0.218 3.908 4.120 0.009 0.000 0.245 493 V C 2.222 178.118 176.094 -0.330 0.000 1.045 493 V CA 1.714 63.806 62.300 -0.347 0.000 1.024 493 V CB -0.404 31.044 31.823 -0.624 0.000 0.651 493 V HN 0.263 nan 8.190 nan 0.000 0.449 494 L N -1.510 119.434 121.223 -0.465 0.000 2.068 494 L HA -0.040 4.306 4.340 0.009 0.000 0.204 494 L C 2.336 178.901 176.870 -0.509 0.000 1.076 494 L CA 1.476 55.944 54.840 -0.620 0.000 0.753 494 L CB -0.534 40.910 42.059 -1.026 0.000 0.910 494 L HN 0.265 nan 8.230 nan 0.000 0.439 495 F N -0.641 119.279 119.950 -0.050 0.000 2.530 495 F HA 0.012 4.544 4.527 0.009 0.000 0.292 495 F C 1.973 177.757 175.800 -0.027 0.000 1.109 495 F CA 0.233 58.215 58.000 -0.029 0.000 1.450 495 F CB -0.355 38.634 39.000 -0.019 0.000 1.114 495 F HN 0.037 nan 8.300 nan 0.000 0.560 496 D N -0.093 120.359 120.400 0.086 0.000 2.735 496 D HA -0.014 4.631 4.640 0.009 0.000 0.267 496 D C 2.012 178.316 176.300 0.006 0.000 1.081 496 D CA 0.671 54.700 54.000 0.047 0.000 0.980 496 D CB -0.453 40.366 40.800 0.031 0.000 1.129 496 D HN 0.177 nan 8.370 nan 0.000 0.459 497 E N 0.985 121.166 120.200 -0.031 0.000 2.012 497 E HA -0.072 4.283 4.350 0.009 0.000 0.197 497 E C 0.915 177.501 176.600 -0.022 0.000 1.007 497 E CA 0.657 57.041 56.400 -0.027 0.000 0.816 497 E CB -0.044 29.636 29.700 -0.033 0.000 0.762 497 E HN 0.183 nan 8.360 nan 0.000 0.451 498 L N -0.204 120.982 121.223 -0.062 0.000 2.479 498 L HA 0.243 4.589 4.340 0.009 0.000 0.249 498 L C 1.259 178.130 176.870 0.001 0.000 1.178 498 L CA -0.139 54.677 54.840 -0.040 0.000 0.811 498 L CB 0.579 42.556 42.059 -0.137 0.000 1.187 498 L HN 0.144 nan 8.230 nan 0.000 0.480 499 G N 1.051 109.876 108.800 0.040 0.000 3.707 499 G HA2 0.305 4.271 3.960 0.009 0.000 0.286 499 G HA3 0.305 4.271 3.960 0.009 0.000 0.286 499 G C 0.223 175.180 174.900 0.096 0.000 1.112 499 G CA -0.408 44.732 45.100 0.067 0.000 0.861 499 G HN 0.258 nan 8.290 nan 0.000 0.534 500 L N 2.425 123.702 121.223 0.091 0.000 2.499 500 L HA 0.184 4.530 4.340 0.009 0.000 0.273 500 L C -1.534 175.505 176.870 0.282 0.000 1.195 500 L CA -1.310 53.616 54.840 0.143 0.000 0.882 500 L CB 0.599 42.688 42.059 0.050 0.000 1.133 500 L HN 0.087 nan 8.230 nan 0.000 0.483 501 P HA 0.104 nan 4.420 nan 0.000 0.271 501 P C -0.540 176.851 177.300 0.151 0.000 1.226 501 P CA -0.372 62.816 63.100 0.146 0.000 0.765 501 P CB 1.109 32.861 31.700 0.088 0.000 0.835 502 A N 3.629 126.399 122.820 -0.083 0.000 2.425 502 A HA 0.145 4.471 4.320 0.009 0.000 0.242 502 A C 1.035 178.521 177.584 -0.162 0.000 1.077 502 A CA -0.022 51.734 52.037 -0.469 0.000 0.781 502 A CB -0.194 18.362 19.000 -0.740 0.000 1.020 502 A HN 0.509 nan 8.150 nan 0.000 0.494 503 I N 0.263 120.762 120.570 -0.117 0.000 3.194 503 I HA 0.320 4.495 4.170 0.009 0.000 0.271 503 I C 1.259 177.356 176.117 -0.033 0.000 1.150 503 I CA 1.517 62.805 61.300 -0.019 0.000 1.440 503 I CB 0.168 38.198 38.000 0.050 0.000 1.276 503 I HN 0.772 nan 8.210 nan 0.000 0.457 504 G N -0.377 108.388 108.800 -0.058 0.000 2.766 504 G HA2 0.575 4.541 3.960 0.009 0.000 0.288 504 G HA3 0.575 4.541 3.960 0.009 0.000 0.288 504 G C -1.325 173.535 174.900 -0.068 0.000 1.408 504 G CA -0.528 44.548 45.100 -0.040 0.000 0.852 504 G HN -0.248 nan 8.290 nan 0.000 0.487 505 K N 0.137 120.513 120.400 -0.039 0.000 2.350 505 K HA 0.624 4.949 4.320 0.009 0.000 0.241 505 K C 0.153 176.748 176.600 -0.008 0.000 0.994 505 K CA -0.602 55.663 56.287 -0.036 0.000 0.839 505 K CB 1.582 34.062 32.500 -0.034 0.000 1.244 505 K HN 0.796 nan 8.250 nan 0.000 0.443 506 T N -1.936 112.619 114.554 0.001 0.000 2.904 506 T HA 0.166 4.522 4.350 0.009 0.000 0.290 506 T C 1.092 175.798 174.700 0.011 0.000 1.018 506 T CA -0.433 61.676 62.100 0.015 0.000 1.075 506 T CB 1.292 70.174 68.868 0.024 0.000 0.986 506 T HN 0.412 nan 8.240 nan 0.000 0.523 507 E N 1.001 121.209 120.200 0.014 0.000 2.047 507 E HA -0.083 4.273 4.350 0.009 0.000 0.191 507 E C 1.684 178.291 176.600 0.012 0.000 0.987 507 E CA 1.319 57.727 56.400 0.013 0.000 0.799 507 E CB 0.013 29.722 29.700 0.015 0.000 0.752 507 E HN 0.607 nan 8.360 nan 0.000 0.449 508 K N -0.876 119.532 120.400 0.014 0.000 2.323 508 K HA 0.020 4.346 4.320 0.009 0.000 0.197 508 K C 1.610 178.217 176.600 0.012 0.000 1.043 508 K CA 1.151 57.446 56.287 0.013 0.000 0.997 508 K CB 0.423 32.931 32.500 0.014 0.000 0.807 508 K HN 0.145 nan 8.250 nan 0.000 0.497 509 T N -4.368 110.194 114.554 0.012 0.000 3.091 509 T HA 0.251 4.606 4.350 0.009 0.000 0.277 509 T C 1.188 175.892 174.700 0.008 0.000 0.996 509 T CA 0.052 62.159 62.100 0.011 0.000 0.897 509 T CB 0.629 69.507 68.868 0.016 0.000 1.109 509 T HN 0.147 nan 8.240 nan 0.000 0.534 510 G N 2.321 111.124 108.800 0.005 0.000 2.258 510 G HA2 -0.302 3.663 3.960 0.009 0.000 0.274 510 G HA3 -0.302 3.663 3.960 0.009 0.000 0.274 510 G C -0.015 174.880 174.900 -0.008 0.000 1.021 510 G CA 0.498 45.596 45.100 -0.003 0.000 0.798 510 G HN 0.681 nan 8.290 nan 0.000 0.507 511 K N -0.545 119.857 120.400 0.002 0.000 2.138 511 K HA 0.364 4.689 4.320 0.009 0.000 0.251 511 K C 0.833 177.423 176.600 -0.017 0.000 1.015 511 K CA -0.697 55.594 56.287 0.006 0.000 0.917 511 K CB 0.723 33.243 32.500 0.034 0.000 1.021 511 K HN 0.212 nan 8.250 nan 0.000 0.485 512 R N 1.387 121.861 120.500 -0.043 0.000 2.357 512 R HA 0.000 4.346 4.340 0.009 0.000 0.330 512 R C 0.150 176.447 176.300 -0.005 0.000 1.102 512 R CA -0.047 55.955 56.100 -0.163 0.000 0.974 512 R CB 0.351 30.385 30.300 -0.443 0.000 1.002 512 R HN 0.448 nan 8.270 nan 0.000 0.463 513 S N 1.615 117.315 115.700 0.000 0.000 2.561 513 S HA -0.064 4.411 4.470 0.009 0.000 0.294 513 S C 1.001 175.718 174.600 0.195 0.000 1.294 513 S CA 0.072 58.321 58.200 0.081 0.000 1.055 513 S CB 0.419 63.647 63.200 0.048 0.000 0.819 513 S HN 0.696 nan 8.310 nan 0.000 0.503 514 T N 1.533 116.202 114.554 0.192 0.000 3.293 514 T HA 0.351 4.706 4.350 0.009 0.000 0.276 514 T C 0.329 175.107 174.700 0.131 0.000 1.003 514 T CA -0.646 61.575 62.100 0.202 0.000 0.916 514 T CB -0.117 68.846 68.868 0.159 0.000 1.134 514 T HN 0.369 nan 8.240 nan 0.000 0.530 515 S N 1.153 116.921 115.700 0.113 0.000 2.572 515 S HA 0.438 4.913 4.470 0.009 0.000 0.267 515 S C 1.860 176.507 174.600 0.079 0.000 1.361 515 S CA -0.095 58.155 58.200 0.084 0.000 1.009 515 S CB 0.433 63.673 63.200 0.067 0.000 0.888 515 S HN 0.677 nan 8.310 nan 0.000 0.553 516 A N 1.610 124.469 122.820 0.066 0.000 1.933 516 A HA 0.034 4.360 4.320 0.009 0.000 0.218 516 A C 2.263 179.881 177.584 0.058 0.000 1.175 516 A CA 1.648 53.721 52.037 0.060 0.000 0.628 516 A CB -1.155 17.876 19.000 0.053 0.000 0.814 516 A HN 0.910 nan 8.150 nan 0.000 0.444 517 A N -0.573 122.279 122.820 0.054 0.000 1.902 517 A HA 0.017 4.343 4.320 0.009 0.000 0.217 517 A C 2.229 179.849 177.584 0.058 0.000 1.181 517 A CA 1.757 53.822 52.037 0.048 0.000 0.623 517 A CB -0.869 18.152 19.000 0.036 0.000 0.818 517 A HN 0.363 nan 8.150 nan 0.000 0.443 518 V N 0.189 120.148 119.914 0.074 0.000 2.307 518 V HA -0.234 3.891 4.120 0.009 0.000 0.245 518 V C 2.540 178.698 176.094 0.108 0.000 1.045 518 V CA 1.877 64.237 62.300 0.100 0.000 1.024 518 V CB -0.761 31.146 31.823 0.140 0.000 0.651 518 V HN 0.568 nan 8.190 nan 0.000 0.449 519 L N -0.322 120.959 121.223 0.096 0.000 2.131 519 L HA -0.181 4.164 4.340 0.009 0.000 0.210 519 L C 2.521 179.430 176.870 0.064 0.000 1.092 519 L CA 1.505 56.391 54.840 0.076 0.000 0.759 519 L CB -0.582 41.514 42.059 0.062 0.000 0.903 519 L HN 0.430 nan 8.230 nan 0.000 0.435 520 E N 0.022 120.258 120.200 0.059 0.000 2.216 520 E HA -0.108 4.248 4.350 0.009 0.000 0.192 520 E C 2.247 178.878 176.600 0.052 0.000 0.988 520 E CA 0.842 57.272 56.400 0.050 0.000 0.834 520 E CB 0.021 29.747 29.700 0.043 0.000 0.772 520 E HN 0.480 nan 8.360 nan 0.000 0.479 521 A N 0.646 123.503 122.820 0.061 0.000 2.066 521 A HA -0.090 4.236 4.320 0.009 0.000 0.218 521 A C 1.736 179.361 177.584 0.069 0.000 1.157 521 A CA 0.912 52.987 52.037 0.063 0.000 0.670 521 A CB 0.040 19.083 19.000 0.071 0.000 0.804 521 A HN 0.081 nan 8.150 nan 0.000 0.453 522 L N -1.253 120.016 121.223 0.076 0.000 2.640 522 L HA 0.203 4.548 4.340 0.009 0.000 0.230 522 L C 2.675 179.586 176.870 0.069 0.000 1.123 522 L CA 0.860 55.748 54.840 0.080 0.000 0.900 522 L CB -1.057 41.059 42.059 0.094 0.000 1.146 522 L HN 0.411 nan 8.230 nan 0.000 0.484 523 R N 0.518 121.053 120.500 0.058 0.000 2.133 523 R HA -0.169 4.176 4.340 0.009 0.000 0.247 523 R C 1.741 178.073 176.300 0.052 0.000 1.151 523 R CA 2.195 58.326 56.100 0.052 0.000 0.971 523 R CB -1.235 29.090 30.300 0.042 0.000 0.866 523 R HN 0.597 nan 8.270 nan 0.000 0.447 524 E N -0.719 119.509 120.200 0.047 0.000 2.474 524 E HA 0.293 4.649 4.350 0.009 0.000 0.195 524 E C 2.030 178.656 176.600 0.045 0.000 1.039 524 E CA 0.370 56.792 56.400 0.038 0.000 0.881 524 E CB 0.498 30.215 29.700 0.028 0.000 0.970 524 E HN 0.638 nan 8.360 nan 0.000 0.486 525 A N 1.022 123.883 122.820 0.068 0.000 2.016 525 A HA -0.049 4.277 4.320 0.009 0.000 0.217 525 A C 0.857 178.517 177.584 0.126 0.000 1.162 525 A CA 0.909 52.997 52.037 0.085 0.000 0.662 525 A CB 0.175 19.233 19.000 0.097 0.000 0.812 525 A HN 0.228 nan 8.150 nan 0.000 0.450 526 H N -2.580 116.495 119.070 0.007 0.000 3.112 526 H HA 0.264 4.825 4.556 0.009 0.000 0.347 526 H C -2.829 172.497 175.328 -0.003 0.000 1.188 526 H CA -1.073 54.974 56.048 -0.001 0.000 1.240 526 H CB 1.515 31.271 29.762 -0.010 0.000 1.920 526 H HN -0.114 nan 8.280 nan 0.000 0.535 527 P HA -0.025 nan 4.420 nan 0.000 0.219 527 P C 1.735 179.158 177.300 0.205 0.000 1.146 527 P CA 0.774 63.940 63.100 0.111 0.000 0.808 527 P CB 0.386 32.079 31.700 -0.012 0.000 0.779 528 I N -0.902 119.916 120.570 0.414 0.000 2.493 528 I HA -0.187 3.989 4.170 0.009 0.000 0.254 528 I C 1.652 177.787 176.117 0.029 0.000 1.160 528 I CA 1.038 62.405 61.300 0.112 0.000 1.445 528 I CB 0.009 37.949 38.000 -0.100 0.000 1.086 528 I HN -0.195 nan 8.210 nan 0.000 0.433 529 V N 1.539 121.482 119.914 0.049 0.000 2.295 529 V HA -0.294 3.832 4.120 0.009 0.000 0.246 529 V C 2.999 179.113 176.094 0.033 0.000 1.049 529 V CA 2.479 64.794 62.300 0.024 0.000 1.024 529 V CB -1.526 30.322 31.823 0.040 0.000 0.648 529 V HN 0.657 nan 8.190 nan 0.000 0.447 530 E N 0.415 120.640 120.200 0.042 0.000 2.051 530 E HA -0.281 4.074 4.350 0.009 0.000 0.192 530 E C 2.113 178.731 176.600 0.030 0.000 0.991 530 E CA 1.530 57.952 56.400 0.035 0.000 0.799 530 E CB -0.545 29.175 29.700 0.032 0.000 0.748 530 E HN 0.548 nan 8.360 nan 0.000 0.449 531 K N -0.007 120.405 120.400 0.020 0.000 2.074 531 K HA -0.049 4.277 4.320 0.009 0.000 0.209 531 K C 2.233 178.845 176.600 0.020 0.000 1.048 531 K CA 1.457 57.748 56.287 0.006 0.000 0.926 531 K CB -0.535 31.949 32.500 -0.027 0.000 0.713 531 K HN 0.539 nan 8.250 nan 0.000 0.444 532 I N 0.902 121.478 120.570 0.010 0.000 2.493 532 I HA -0.213 3.963 4.170 0.009 0.000 0.254 532 I C 2.193 178.366 176.117 0.093 0.000 1.160 532 I CA 0.695 62.016 61.300 0.035 0.000 1.445 532 I CB -0.199 37.805 38.000 0.006 0.000 1.086 532 I HN 0.032 nan 8.210 nan 0.000 0.433 533 L N -0.006 121.255 121.223 0.065 0.000 2.156 533 L HA -0.170 4.175 4.340 0.009 0.000 0.208 533 L C 2.553 179.460 176.870 0.061 0.000 1.095 533 L CA 1.191 56.068 54.840 0.062 0.000 0.770 533 L CB -0.368 41.720 42.059 0.047 0.000 0.914 533 L HN 0.320 nan 8.230 nan 0.000 0.439 534 Q N -1.345 118.491 119.800 0.060 0.000 2.137 534 Q HA -0.201 4.145 4.340 0.009 0.000 0.198 534 Q C 2.007 178.037 176.000 0.051 0.000 0.960 534 Q CA 1.259 57.088 55.803 0.044 0.000 0.847 534 Q CB -0.194 28.564 28.738 0.034 0.000 0.915 534 Q HN 0.451 nan 8.270 nan 0.000 0.448 535 Y N 1.851 122.125 120.300 -0.044 0.000 2.145 535 Y HA -0.193 4.363 4.550 0.009 0.000 0.286 535 Y C 2.281 178.160 175.900 -0.035 0.000 1.145 535 Y CA 1.413 59.477 58.100 -0.060 0.000 1.148 535 Y CB 0.102 38.504 38.460 -0.097 0.000 0.981 535 Y HN -0.101 nan 8.280 nan 0.000 0.507 536 R N 0.786 121.343 120.500 0.096 0.000 2.096 536 R HA -0.230 4.116 4.340 0.009 0.000 0.240 536 R C 2.235 178.506 176.300 -0.049 0.000 1.139 536 R CA 1.848 57.963 56.100 0.025 0.000 0.952 536 R CB -0.900 29.448 30.300 0.080 0.000 0.854 536 R HN 0.623 nan 8.270 nan 0.000 0.436 537 E N 0.700 120.886 120.200 -0.024 0.000 2.005 537 E HA -0.172 4.184 4.350 0.009 0.000 0.198 537 E C 2.181 178.747 176.600 -0.057 0.000 1.010 537 E CA 1.300 57.688 56.400 -0.020 0.000 0.825 537 E CB -0.157 29.542 29.700 -0.002 0.000 0.769 537 E HN 0.190 nan 8.360 nan 0.000 0.456 538 L N 0.764 121.932 121.223 -0.092 0.000 1.997 538 L HA -0.260 4.086 4.340 0.009 0.000 0.216 538 L C 3.044 179.817 176.870 -0.160 0.000 1.074 538 L CA 2.229 57.001 54.840 -0.114 0.000 0.763 538 L CB -1.468 40.511 42.059 -0.132 0.000 0.890 538 L HN 0.465 nan 8.230 nan 0.000 0.434 539 T N -2.310 112.063 114.554 -0.302 0.000 2.788 539 T HA -0.222 4.134 4.350 0.009 0.000 0.268 539 T C 1.807 176.410 174.700 -0.162 0.000 1.044 539 T CA 1.341 63.257 62.100 -0.307 0.000 1.139 539 T CB -0.206 68.329 68.868 -0.554 0.000 0.867 539 T HN 0.067 nan 8.240 nan 0.000 0.454 540 K N 1.573 121.904 120.400 -0.115 0.000 2.009 540 K HA 0.052 4.378 4.320 0.009 0.000 0.210 540 K C 2.241 178.831 176.600 -0.017 0.000 1.049 540 K CA 1.460 57.716 56.287 -0.051 0.000 0.929 540 K CB -1.002 31.497 32.500 -0.001 0.000 0.714 540 K HN 0.472 nan 8.250 nan 0.000 0.440 541 L N 0.475 121.729 121.223 0.053 0.000 2.017 541 L HA -0.159 4.186 4.340 0.009 0.000 0.208 541 L C 2.712 179.656 176.870 0.122 0.000 1.073 541 L CA 1.757 56.711 54.840 0.189 0.000 0.745 541 L CB -0.499 41.645 42.059 0.142 0.000 0.894 541 L HN 0.295 nan 8.230 nan 0.000 0.432 542 K N 0.162 120.569 120.400 0.013 0.000 2.057 542 K HA -0.171 4.154 4.320 0.009 0.000 0.207 542 K C 2.224 178.801 176.600 -0.038 0.000 1.049 542 K CA 1.760 58.040 56.287 -0.011 0.000 0.931 542 K CB 0.029 32.498 32.500 -0.052 0.000 0.714 542 K HN 0.353 nan 8.250 nan 0.000 0.440 543 S N -1.249 114.404 115.700 -0.079 0.000 2.496 543 S HA -0.004 4.471 4.470 0.009 0.000 0.224 543 S C 1.605 176.111 174.600 -0.156 0.000 0.996 543 S CA 0.913 59.054 58.200 -0.097 0.000 0.927 543 S CB 0.280 63.424 63.200 -0.093 0.000 0.774 543 S HN 0.220 nan 8.310 nan 0.000 0.524 544 T N 0.239 114.634 114.554 -0.265 0.000 3.039 544 T HA 0.304 4.659 4.350 0.009 0.000 0.250 544 T C 0.684 174.955 174.700 -0.714 0.000 1.052 544 T CA 0.602 62.366 62.100 -0.560 0.000 1.125 544 T CB -0.109 68.241 68.868 -0.864 0.000 0.908 544 T HN 0.610 nan 8.240 nan 0.000 0.473 545 Y N -0.302 120.020 120.300 0.036 0.000 3.011 545 Y HA 0.440 4.996 4.550 0.010 0.000 0.231 545 Y C 1.993 177.929 175.900 0.060 0.000 0.983 545 Y CA -0.687 57.457 58.100 0.073 0.000 1.429 545 Y CB -0.149 38.372 38.460 0.102 0.000 1.491 545 Y HN -0.097 nan 8.280 nan 0.000 0.444 546 I N 1.183 121.883 120.570 0.217 0.000 2.229 546 I HA -0.357 3.819 4.170 0.009 0.000 0.250 546 I C 1.279 177.430 176.117 0.057 0.000 1.096 546 I CA 1.921 63.288 61.300 0.111 0.000 1.358 546 I CB -0.222 37.812 38.000 0.057 0.000 1.047 546 I HN 0.410 nan 8.210 nan 0.000 0.422 547 D N -0.067 120.350 120.400 0.029 0.000 2.269 547 D HA -0.013 4.633 4.640 0.009 0.000 0.220 547 D C -0.457 175.845 176.300 0.003 0.000 0.962 547 D CA 0.842 54.845 54.000 0.005 0.000 0.884 547 D CB -1.503 39.287 40.800 -0.017 0.000 1.023 547 D HN 0.279 nan 8.370 nan 0.000 0.484 548 P HA -0.093 nan 4.420 nan 0.000 0.215 548 P C 2.083 179.395 177.300 0.020 0.000 1.157 548 P CA 0.800 63.894 63.100 -0.011 0.000 0.863 548 P CB 0.084 31.762 31.700 -0.036 0.000 0.787 549 L N -0.054 121.208 121.223 0.065 0.000 1.997 549 L HA -0.152 4.193 4.340 0.009 0.000 0.216 549 L C -0.080 176.823 176.870 0.056 0.000 1.074 549 L CA 2.394 57.286 54.840 0.087 0.000 0.763 549 L CB -2.710 39.427 42.059 0.131 0.000 0.890 549 L HN 0.056 nan 8.230 nan 0.000 0.434 550 P HA -0.151 nan 4.420 nan 0.000 0.221 550 P C 0.634 177.956 177.300 0.038 0.000 1.145 550 P CA 1.327 64.447 63.100 0.034 0.000 0.795 550 P CB -0.015 31.702 31.700 0.028 0.000 0.775 551 D N -1.815 118.597 120.400 0.021 0.000 2.339 551 D HA 0.045 4.691 4.640 0.009 0.000 0.217 551 D C 1.046 177.339 176.300 -0.011 0.000 1.050 551 D CA 0.407 54.406 54.000 -0.002 0.000 0.856 551 D CB 0.110 40.888 40.800 -0.037 0.000 0.922 551 D HN 0.142 nan 8.370 nan 0.000 0.518 552 L N 0.744 121.994 121.223 0.045 0.000 2.640 552 L HA 0.146 4.491 4.340 0.009 0.000 0.230 552 L C 0.457 177.540 176.870 0.354 0.000 1.123 552 L CA -0.083 54.817 54.840 0.100 0.000 0.900 552 L CB 0.031 42.150 42.059 0.100 0.000 1.146 552 L HN -0.088 nan 8.230 nan 0.000 0.484 553 I N 0.389 121.127 120.570 0.280 0.000 2.598 553 I HA -0.065 4.110 4.170 0.009 0.000 0.284 553 I C 0.824 177.217 176.117 0.459 0.000 1.140 553 I CA 0.200 61.688 61.300 0.313 0.000 1.420 553 I CB -0.008 38.094 38.000 0.170 0.000 1.387 553 I HN 0.156 nan 8.210 nan 0.000 0.553 554 H N 9.782 129.020 119.070 0.281 0.000 2.652 554 H HA 0.161 4.722 4.556 0.009 0.000 0.349 554 H C -1.626 173.681 175.328 -0.034 0.000 1.099 554 H CA -1.502 54.492 56.048 -0.091 0.000 1.417 554 H CB 1.734 31.223 29.762 -0.455 0.000 1.457 554 H HN 0.345 nan 8.280 nan 0.000 0.568 555 P HA -0.136 nan 4.420 nan 0.000 0.214 555 P C 1.011 178.382 177.300 0.118 0.000 1.162 555 P CA 1.284 64.407 63.100 0.037 0.000 0.879 555 P CB 0.410 32.078 31.700 -0.054 0.000 0.786 556 R N -0.199 120.443 120.500 0.238 0.000 2.189 556 R HA -0.024 4.321 4.340 0.009 0.000 0.223 556 R C 2.255 178.555 176.300 -0.000 0.000 1.092 556 R CA 1.938 58.087 56.100 0.080 0.000 0.989 556 R CB -0.803 29.506 30.300 0.014 0.000 0.876 556 R HN 0.396 nan 8.270 nan 0.000 0.457 557 T N -4.872 109.691 114.554 0.016 0.000 2.971 557 T HA 0.209 4.564 4.350 0.009 0.000 0.252 557 T C 1.458 176.192 174.700 0.057 0.000 1.022 557 T CA 0.367 62.467 62.100 0.001 0.000 0.980 557 T CB 0.915 69.793 68.868 0.018 0.000 1.044 557 T HN 0.281 nan 8.240 nan 0.000 0.501 558 G N 2.048 110.907 108.800 0.099 0.000 2.187 558 G HA2 -0.285 3.681 3.960 0.009 0.000 0.261 558 G HA3 -0.285 3.681 3.960 0.009 0.000 0.261 558 G C 0.079 175.019 174.900 0.067 0.000 1.000 558 G CA 0.479 45.624 45.100 0.076 0.000 0.718 558 G HN 0.750 nan 8.290 nan 0.000 0.519 559 R N -1.319 119.253 120.500 0.121 0.000 2.892 559 R HA 0.733 5.078 4.340 0.009 0.000 0.265 559 R C 0.061 176.400 176.300 0.066 0.000 1.025 559 R CA -1.097 55.014 56.100 0.019 0.000 0.982 559 R CB 1.279 31.510 30.300 -0.115 0.000 1.185 559 R HN 0.120 nan 8.270 nan 0.000 0.484 560 L N 2.221 123.411 121.223 -0.054 0.000 2.305 560 L HA 0.289 4.635 4.340 0.009 0.000 0.281 560 L C -0.515 176.272 176.870 -0.138 0.000 1.085 560 L CA -0.306 54.568 54.840 0.056 0.000 0.813 560 L CB 0.610 42.716 42.059 0.079 0.000 1.157 560 L HN 0.490 nan 8.230 nan 0.000 0.436 561 H N 1.180 120.357 119.070 0.180 0.000 2.697 561 H HA 0.250 4.812 4.556 0.010 0.000 0.270 561 H C 0.013 175.417 175.328 0.126 0.000 1.188 561 H CA -0.336 55.793 56.048 0.134 0.000 1.322 561 H CB 0.817 30.629 29.762 0.084 0.000 1.405 561 H HN 0.480 nan 8.280 nan 0.000 0.502 562 T N 2.295 116.899 114.554 0.083 0.000 2.766 562 T HA 0.293 4.648 4.350 0.009 0.000 0.295 562 T C 0.578 175.180 174.700 -0.164 0.000 1.024 562 T CA -0.382 61.667 62.100 -0.087 0.000 1.018 562 T CB 0.520 69.210 68.868 -0.296 0.000 1.002 562 T HN 0.503 nan 8.240 nan 0.000 0.532 563 R N 0.274 120.606 120.500 -0.280 0.000 2.637 563 R HA 0.448 4.794 4.340 0.009 0.000 0.291 563 R C -1.298 174.740 176.300 -0.438 0.000 0.963 563 R CA -0.545 55.442 56.100 -0.188 0.000 0.901 563 R CB 1.150 31.425 30.300 -0.042 0.000 1.160 563 R HN 0.427 nan 8.270 nan 0.000 0.457 564 F N 2.078 122.042 119.950 0.024 0.000 2.311 564 F HA 0.272 4.804 4.527 0.009 0.000 0.371 564 F C 0.090 175.881 175.800 -0.015 0.000 1.083 564 F CA -0.959 57.040 58.000 -0.001 0.000 1.113 564 F CB 0.876 39.863 39.000 -0.022 0.000 1.349 564 F HN 0.254 nan 8.300 nan 0.000 0.470 565 N N 3.816 122.570 118.700 0.089 0.000 2.431 565 N HA -0.029 4.716 4.740 0.009 0.000 0.265 565 N C 0.948 176.456 175.510 -0.003 0.000 1.184 565 N CA 0.131 53.197 53.050 0.026 0.000 0.943 565 N CB 1.204 39.693 38.487 0.003 0.000 1.080 565 N HN 0.738 nan 8.380 nan 0.000 0.477 566 Q N 1.114 120.875 119.800 -0.066 0.000 2.398 566 Q HA -0.018 4.328 4.340 0.009 0.000 0.204 566 Q C 0.044 175.752 176.000 -0.487 0.000 0.932 566 Q CA 0.674 56.388 55.803 -0.149 0.000 0.916 566 Q CB 0.478 29.165 28.738 -0.086 0.000 1.024 566 Q HN 0.678 nan 8.270 nan 0.000 0.504 567 T N -3.207 111.017 114.554 -0.550 0.000 3.514 567 T HA 0.681 5.036 4.350 0.009 0.000 0.259 567 T C -0.018 174.433 174.700 -0.416 0.000 1.466 567 T CA -0.095 61.362 62.100 -1.073 0.000 1.562 567 T CB 1.289 69.795 68.868 -0.603 0.000 0.924 567 T HN 0.111 nan 8.240 nan 0.000 0.678 568 A N 0.686 123.378 122.820 -0.213 0.000 2.551 568 A HA 0.565 4.891 4.320 0.009 0.000 0.252 568 A C 0.649 178.307 177.584 0.123 0.000 1.199 568 A CA -0.232 51.810 52.037 0.009 0.000 0.972 568 A CB 0.626 19.627 19.000 0.001 0.000 1.153 568 A HN 0.535 nan 8.150 nan 0.000 0.559 569 T N -0.446 114.252 114.554 0.239 0.000 2.863 569 T HA 0.528 4.883 4.350 0.009 0.000 0.285 569 T C 1.096 175.951 174.700 0.257 0.000 1.009 569 T CA 0.180 62.418 62.100 0.229 0.000 0.989 569 T CB 1.775 70.759 68.868 0.193 0.000 1.004 569 T HN 0.334 nan 8.240 nan 0.000 0.455 570 A N 1.486 124.381 122.820 0.126 0.000 2.119 570 A HA 0.025 4.351 4.320 0.009 0.000 0.217 570 A C 2.081 179.674 177.584 0.015 0.000 1.153 570 A CA 1.537 53.609 52.037 0.060 0.000 0.692 570 A CB -0.642 18.381 19.000 0.038 0.000 0.799 570 A HN 0.850 nan 8.150 nan 0.000 0.458 571 T N -6.015 108.560 114.554 0.035 0.000 3.001 571 T HA 0.440 4.796 4.350 0.009 0.000 0.251 571 T C 1.296 176.018 174.700 0.038 0.000 1.040 571 T CA 1.116 63.221 62.100 0.008 0.000 0.985 571 T CB 0.520 69.375 68.868 -0.021 0.000 1.011 571 T HN 1.507 nan 8.240 nan 0.000 0.509 572 G N 1.633 110.507 108.800 0.123 0.000 2.184 572 G HA2 -0.162 3.803 3.960 0.009 0.000 0.206 572 G HA3 -0.162 3.803 3.960 0.009 0.000 0.206 572 G C 0.216 175.243 174.900 0.211 0.000 0.995 572 G CA -0.470 44.747 45.100 0.195 0.000 0.651 572 G HN 0.602 nan 8.290 nan 0.000 0.511 573 R N -0.210 120.398 120.500 0.181 0.000 2.649 573 R HA 0.669 5.014 4.340 0.009 0.000 0.270 573 R C 0.670 177.091 176.300 0.202 0.000 1.105 573 R CA -0.233 55.987 56.100 0.199 0.000 1.193 573 R CB 0.577 31.014 30.300 0.228 0.000 1.120 573 R HN 0.260 nan 8.270 nan 0.000 0.561 574 L N 0.028 121.367 121.223 0.192 0.000 2.416 574 L HA 0.374 4.719 4.340 0.009 0.000 0.263 574 L C 0.551 177.540 176.870 0.199 0.000 1.065 574 L CA -0.542 54.388 54.840 0.149 0.000 0.798 574 L CB 1.416 43.554 42.059 0.132 0.000 1.267 574 L HN 0.731 nan 8.230 nan 0.000 0.467 575 S N -0.872 114.924 115.700 0.160 0.000 2.570 575 S HA 0.534 5.009 4.470 0.009 0.000 0.286 575 S C -0.864 173.790 174.600 0.090 0.000 1.099 575 S CA -0.690 57.602 58.200 0.153 0.000 0.913 575 S CB 1.942 65.204 63.200 0.104 0.000 1.085 575 S HN 0.484 nan 8.310 nan 0.000 0.480 576 S N 1.441 117.163 115.700 0.038 0.000 2.474 576 S HA 0.649 5.125 4.470 0.009 0.000 0.321 576 S C -0.384 174.165 174.600 -0.086 0.000 1.080 576 S CA -0.461 57.654 58.200 -0.142 0.000 1.106 576 S CB 0.702 63.812 63.200 -0.150 0.000 0.984 576 S HN 0.921 nan 8.310 nan 0.000 0.464 577 S N 4.007 119.639 115.700 -0.114 0.000 2.718 577 S HA 0.656 5.132 4.470 0.009 0.000 0.300 577 S C -0.151 174.429 174.600 -0.033 0.000 1.117 577 S CA -0.130 58.043 58.200 -0.045 0.000 1.002 577 S CB 0.388 63.576 63.200 -0.021 0.000 1.092 577 S HN 0.928 nan 8.310 nan 0.000 0.542 578 D N 0.502 120.900 120.400 -0.004 0.000 3.452 578 D HA -0.145 4.501 4.640 0.009 0.000 0.164 578 D C -2.616 173.695 176.300 0.018 0.000 1.074 578 D CA 1.034 55.039 54.000 0.008 0.000 1.069 578 D CB -2.224 38.594 40.800 0.031 0.000 0.527 578 D HN 0.516 nan 8.370 nan 0.000 0.558 579 P HA 0.096 nan 4.420 nan 0.000 0.256 579 P C -0.354 176.968 177.300 0.036 0.000 1.189 579 P CA 0.397 63.542 63.100 0.075 0.000 0.808 579 P CB -0.045 31.732 31.700 0.128 0.000 0.793 580 N N 3.882 122.619 118.700 0.062 0.000 2.420 580 N HA 0.108 4.853 4.740 0.009 0.000 0.249 580 N C 0.081 175.667 175.510 0.126 0.000 1.033 580 N CA -0.038 53.043 53.050 0.052 0.000 0.944 580 N CB 0.018 38.548 38.487 0.073 0.000 1.113 580 N HN 0.263 nan 8.380 nan 0.000 0.502 581 L N 2.592 123.874 121.223 0.098 0.000 2.741 581 L HA 0.218 4.563 4.340 0.009 0.000 0.237 581 L C 1.261 178.258 176.870 0.212 0.000 1.178 581 L CA 0.083 55.032 54.840 0.182 0.000 0.973 581 L CB 0.097 42.283 42.059 0.211 0.000 1.255 581 L HN 0.554 nan 8.230 nan 0.000 0.498 582 Q N 0.572 120.477 119.800 0.175 0.000 2.356 582 Q HA 0.038 4.384 4.340 0.009 0.000 0.205 582 Q C 0.598 176.701 176.000 0.170 0.000 0.901 582 Q CA 0.326 56.249 55.803 0.201 0.000 0.938 582 Q CB 0.323 29.186 28.738 0.208 0.000 1.081 582 Q HN 0.666 nan 8.270 nan 0.000 0.517 583 N N -0.834 117.944 118.700 0.131 0.000 2.497 583 N HA 0.159 4.905 4.740 0.009 0.000 0.284 583 N C -0.477 175.024 175.510 -0.015 0.000 1.459 583 N CA -0.328 52.777 53.050 0.091 0.000 0.899 583 N CB 0.591 39.172 38.487 0.157 0.000 1.316 583 N HN -0.112 nan 8.380 nan 0.000 0.500 584 I N 1.651 122.116 120.570 -0.175 0.000 2.648 584 I HA 0.195 4.371 4.170 0.009 0.000 0.284 584 I C -1.688 174.111 176.117 -0.530 0.000 1.153 584 I CA -2.182 58.841 61.300 -0.461 0.000 1.426 584 I CB -0.070 37.561 38.000 -0.615 0.000 1.381 584 I HN 0.132 nan 8.210 nan 0.000 0.571 585 P HA 0.019 nan 4.420 nan 0.000 0.267 585 P C 0.422 177.519 177.300 -0.339 0.000 1.201 585 P CA 0.338 63.191 63.100 -0.411 0.000 0.775 585 P CB 0.989 32.451 31.700 -0.397 0.000 0.854 586 V N 2.054 121.830 119.914 -0.230 0.000 3.410 586 V HA 0.075 4.200 4.120 0.009 0.000 0.257 586 V C 1.668 177.691 176.094 -0.118 0.000 1.757 586 V CA 0.462 62.639 62.300 -0.205 0.000 1.047 586 V CB -0.126 31.543 31.823 -0.257 0.000 0.915 586 V HN 0.362 nan 8.190 nan 0.000 0.371 587 R N 1.097 121.546 120.500 -0.087 0.000 2.062 587 R HA 0.080 4.426 4.340 0.009 0.000 0.229 587 R C 1.169 177.449 176.300 -0.033 0.000 1.128 587 R CA 1.715 57.787 56.100 -0.046 0.000 0.960 587 R CB -0.230 30.056 30.300 -0.023 0.000 0.855 587 R HN 0.685 nan 8.270 nan 0.000 0.432 588 T N -2.176 112.359 114.554 -0.032 0.000 2.912 588 T HA 0.253 4.609 4.350 0.009 0.000 0.280 588 T C -2.150 172.538 174.700 -0.021 0.000 0.989 588 T CA -2.021 60.068 62.100 -0.019 0.000 0.995 588 T CB 1.851 70.713 68.868 -0.009 0.000 1.077 588 T HN -0.212 nan 8.240 nan 0.000 0.531 589 P HA -0.031 nan 4.420 nan 0.000 0.216 589 P C 1.541 178.842 177.300 0.001 0.000 1.150 589 P CA 0.339 63.436 63.100 -0.004 0.000 0.837 589 P CB 0.008 31.708 31.700 -0.000 0.000 0.786 590 L N -0.725 120.496 121.223 -0.002 0.000 2.217 590 L HA 0.121 4.467 4.340 0.009 0.000 0.211 590 L C 2.122 178.992 176.870 -0.001 0.000 1.107 590 L CA 1.814 56.654 54.840 0.001 0.000 0.783 590 L CB -1.478 40.580 42.059 -0.002 0.000 0.919 590 L HN -0.086 nan 8.230 nan 0.000 0.442 591 G N -1.261 107.524 108.800 -0.025 0.000 2.402 591 G HA2 -0.255 3.711 3.960 0.009 0.000 0.216 591 G HA3 -0.255 3.711 3.960 0.009 0.000 0.216 591 G C 1.466 176.323 174.900 -0.072 0.000 1.162 591 G CA 0.662 45.719 45.100 -0.071 0.000 0.777 591 G HN 0.485 nan 8.290 nan 0.000 0.539 592 Q N -0.204 119.569 119.800 -0.044 0.000 2.119 592 Q HA 0.001 4.347 4.340 0.009 0.000 0.201 592 Q C 2.802 178.826 176.000 0.039 0.000 0.972 592 Q CA 0.833 56.617 55.803 -0.030 0.000 0.847 592 Q CB -0.086 28.640 28.738 -0.021 0.000 0.903 592 Q HN 0.389 nan 8.270 nan 0.000 0.433 593 R N 0.046 120.592 120.500 0.077 0.000 2.120 593 R HA -0.099 4.247 4.340 0.009 0.000 0.234 593 R C 2.072 178.547 176.300 0.292 0.000 1.123 593 R CA 1.062 57.273 56.100 0.186 0.000 0.975 593 R CB -0.190 30.184 30.300 0.123 0.000 0.866 593 R HN 0.311 nan 8.270 nan 0.000 0.446 594 I N -0.093 120.580 120.570 0.171 0.000 2.333 594 I HA -0.185 3.991 4.170 0.009 0.000 0.246 594 I C 2.659 178.930 176.117 0.256 0.000 1.106 594 I CA 0.810 62.238 61.300 0.213 0.000 1.411 594 I CB -0.204 37.848 38.000 0.086 0.000 1.082 594 I HN 0.090 nan 8.210 nan 0.000 0.420 595 R N 1.438 121.998 120.500 0.099 0.000 2.120 595 R HA -0.143 4.203 4.340 0.009 0.000 0.234 595 R C 2.284 178.732 176.300 0.246 0.000 1.123 595 R CA 1.299 57.440 56.100 0.069 0.000 0.975 595 R CB -0.120 30.050 30.300 -0.217 0.000 0.866 595 R HN 0.196 nan 8.270 nan 0.000 0.446 596 R N -0.276 120.317 120.500 0.154 0.000 2.249 596 R HA -0.077 4.269 4.340 0.009 0.000 0.230 596 R C 1.969 178.253 176.300 -0.028 0.000 1.121 596 R CA 0.999 57.135 56.100 0.059 0.000 0.997 596 R CB -0.142 30.146 30.300 -0.019 0.000 0.867 596 R HN 0.284 nan 8.270 nan 0.000 0.465 597 A N 0.285 123.172 122.820 0.112 0.000 2.119 597 A HA -0.029 4.296 4.320 0.009 0.000 0.217 597 A C 0.193 177.739 177.584 -0.064 0.000 1.153 597 A CA 0.493 52.522 52.037 -0.014 0.000 0.692 597 A CB -0.029 19.052 19.000 0.135 0.000 0.799 597 A HN 0.091 nan 8.150 nan 0.000 0.458 598 F N 1.140 121.154 119.950 0.107 0.000 2.404 598 F HA 0.470 5.003 4.527 0.010 0.000 0.359 598 F C 0.326 176.170 175.800 0.074 0.000 1.134 598 F CA -0.951 57.130 58.000 0.135 0.000 1.160 598 F CB 0.301 39.488 39.000 0.312 0.000 1.186 598 F HN 0.209 nan 8.300 nan 0.000 0.526 599 I N 0.206 120.825 120.570 0.081 0.000 2.846 599 I HA 0.937 5.113 4.170 0.009 0.000 0.307 599 I C -0.268 175.854 176.117 0.010 0.000 1.053 599 I CA -1.379 59.944 61.300 0.040 0.000 1.050 599 I CB 1.773 39.764 38.000 -0.015 0.000 1.239 599 I HN 0.454 nan 8.210 nan 0.000 0.439 600 A N 2.677 125.512 122.820 0.025 0.000 2.313 600 A HA 0.365 4.691 4.320 0.009 0.000 0.261 600 A C 0.046 177.621 177.584 -0.016 0.000 1.090 600 A CA -0.128 51.920 52.037 0.019 0.000 0.807 600 A CB 0.430 19.495 19.000 0.108 0.000 1.055 600 A HN 0.845 nan 8.150 nan 0.000 0.492 601 E N 0.209 120.342 120.200 -0.111 0.000 2.392 601 E HA 0.265 4.620 4.350 0.009 0.000 0.259 601 E C -0.421 176.210 176.600 0.053 0.000 1.108 601 E CA -0.036 56.263 56.400 -0.168 0.000 0.916 601 E CB 0.319 29.687 29.700 -0.552 0.000 0.989 601 E HN 0.530 nan 8.360 nan 0.000 0.432 602 E N 1.030 121.272 120.200 0.070 0.000 2.502 602 E HA 0.258 4.613 4.350 0.009 0.000 0.261 602 E C 0.748 177.533 176.600 0.308 0.000 0.974 602 E CA 1.609 58.093 56.400 0.140 0.000 0.936 602 E CB 0.240 29.995 29.700 0.091 0.000 0.926 602 E HN 0.759 nan 8.360 nan 0.000 0.459 603 G N 1.137 110.076 108.800 0.230 0.000 2.148 603 G HA2 -0.255 3.711 3.960 0.009 0.000 0.254 603 G HA3 -0.255 3.711 3.960 0.009 0.000 0.254 603 G C -0.573 174.406 174.900 0.131 0.000 0.981 603 G CA 0.081 45.285 45.100 0.173 0.000 0.670 603 G HN 0.373 nan 8.290 nan 0.000 0.528 604 W N -1.032 120.259 121.300 -0.015 0.000 3.021 604 W HA 0.850 5.515 4.660 0.009 0.000 0.337 604 W C 0.109 176.618 176.519 -0.017 0.000 1.171 604 W CA -1.109 56.225 57.345 -0.019 0.000 1.060 604 W CB 1.030 30.477 29.460 -0.021 0.000 1.472 604 W HN 0.084 nan 8.180 nan 0.000 0.594 605 L N 1.459 122.827 121.223 0.242 0.000 2.434 605 L HA 0.490 4.836 4.340 0.009 0.000 0.260 605 L C -0.802 176.141 176.870 0.120 0.000 0.983 605 L CA -1.087 53.831 54.840 0.130 0.000 0.820 605 L CB 1.853 43.949 42.059 0.062 0.000 1.361 605 L HN 0.132 nan 8.230 nan 0.000 0.410 606 L N 2.335 123.603 121.223 0.075 0.000 2.334 606 L HA 0.551 4.897 4.340 0.009 0.000 0.277 606 L C -0.673 176.211 176.870 0.024 0.000 1.075 606 L CA -0.777 54.082 54.840 0.033 0.000 0.804 606 L CB 1.778 43.841 42.059 0.006 0.000 1.174 606 L HN 0.248 nan 8.230 nan 0.000 0.438 607 V N 2.381 122.294 119.914 -0.002 0.000 2.407 607 V HA 0.549 4.674 4.120 0.009 0.000 0.291 607 V C 0.047 176.129 176.094 -0.021 0.000 1.018 607 V CA -0.583 61.717 62.300 -0.001 0.000 0.842 607 V CB 1.519 33.340 31.823 -0.003 0.000 0.996 607 V HN 0.838 nan 8.190 nan 0.000 0.426 608 A N 6.414 129.241 122.820 0.012 0.000 2.288 608 A HA 0.925 5.250 4.320 0.009 0.000 0.320 608 A C -0.915 176.684 177.584 0.025 0.000 1.217 608 A CA -0.384 51.674 52.037 0.034 0.000 0.840 608 A CB 0.597 19.686 19.000 0.148 0.000 1.179 608 A HN 0.778 nan 8.150 nan 0.000 0.504 609 L N 2.389 123.610 121.223 -0.003 0.000 2.362 609 L HA 0.595 4.941 4.340 0.009 0.000 0.275 609 L C -0.747 176.093 176.870 -0.049 0.000 0.998 609 L CA -0.390 54.419 54.840 -0.051 0.000 0.820 609 L CB 2.182 44.180 42.059 -0.102 0.000 1.270 609 L HN 0.686 nan 8.230 nan 0.000 0.415 610 D N 1.482 121.846 120.400 -0.060 0.000 2.855 610 D HA 0.225 4.870 4.640 0.009 0.000 0.241 610 D C -1.180 175.113 176.300 -0.012 0.000 1.277 610 D CA -0.503 53.497 54.000 0.001 0.000 0.918 610 D CB 1.172 42.023 40.800 0.085 0.000 1.462 610 D HN 0.174 nan 8.370 nan 0.000 0.559 611 Y N 1.509 121.848 120.300 0.064 0.000 2.632 611 Y HA 0.101 4.655 4.550 0.008 0.000 0.329 611 Y C 1.464 177.412 175.900 0.080 0.000 1.174 611 Y CA 0.482 58.613 58.100 0.052 0.000 1.469 611 Y CB 0.699 39.178 38.460 0.032 0.000 1.242 611 Y HN 0.176 nan 8.280 nan 0.000 0.540 612 S N 3.648 119.480 115.700 0.220 0.000 2.531 612 S HA 0.044 4.520 4.470 0.009 0.000 0.279 612 S C 0.163 174.893 174.600 0.217 0.000 1.305 612 S CA -0.507 57.814 58.200 0.202 0.000 1.058 612 S CB 0.038 63.331 63.200 0.156 0.000 0.899 612 S HN 0.798 nan 8.310 nan 0.000 0.493 613 Q N 2.296 122.288 119.800 0.320 0.000 2.385 613 Q HA -0.246 4.100 4.340 0.009 0.000 0.311 613 Q C 0.761 176.917 176.000 0.260 0.000 1.259 613 Q CA 0.565 56.593 55.803 0.374 0.000 0.921 613 Q CB -1.592 27.305 28.738 0.265 0.000 1.209 613 Q HN 0.824 nan 8.270 nan 0.000 0.473 614 I N 0.750 121.458 120.570 0.231 0.000 2.074 614 I HA -0.349 3.826 4.170 0.009 0.000 0.238 614 I C 1.928 178.058 176.117 0.022 0.000 1.037 614 I CA 2.390 63.732 61.300 0.069 0.000 1.301 614 I CB -0.056 37.976 38.000 0.054 0.000 1.016 614 I HN 0.334 nan 8.210 nan 0.000 0.400 615 E N -0.287 119.971 120.200 0.098 0.000 2.401 615 E HA -0.156 4.199 4.350 0.009 0.000 0.199 615 E C 2.186 178.895 176.600 0.183 0.000 1.023 615 E CA 0.744 57.195 56.400 0.085 0.000 0.859 615 E CB -0.149 29.543 29.700 -0.013 0.000 0.780 615 E HN 0.562 nan 8.360 nan 0.000 0.523 616 L N -0.143 121.238 121.223 0.264 0.000 2.209 616 L HA -0.036 4.309 4.340 0.009 0.000 0.207 616 L C 2.348 179.259 176.870 0.069 0.000 1.094 616 L CA 0.647 55.609 54.840 0.203 0.000 0.790 616 L CB -0.173 42.052 42.059 0.277 0.000 0.932 616 L HN 0.036 nan 8.230 nan 0.000 0.447 617 R N -0.419 119.947 120.500 -0.223 0.000 2.075 617 R HA -0.089 4.257 4.340 0.009 0.000 0.232 617 R C 2.259 178.417 176.300 -0.236 0.000 1.126 617 R CA 0.939 56.708 56.100 -0.552 0.000 0.963 617 R CB -0.379 29.503 30.300 -0.696 0.000 0.858 617 R HN 0.128 nan 8.270 nan 0.000 0.435 618 V N 1.499 121.309 119.914 -0.173 0.000 2.343 618 V HA -0.227 3.899 4.120 0.009 0.000 0.247 618 V C 2.186 178.196 176.094 -0.140 0.000 1.051 618 V CA 1.487 63.698 62.300 -0.149 0.000 1.036 618 V CB -0.438 31.297 31.823 -0.147 0.000 0.654 618 V HN 0.236 nan 8.190 nan 0.000 0.451 619 L N 0.952 122.097 121.223 -0.131 0.000 2.046 619 L HA -0.098 4.248 4.340 0.009 0.000 0.208 619 L C 2.433 179.166 176.870 -0.228 0.000 1.077 619 L CA 2.357 57.067 54.840 -0.217 0.000 0.747 619 L CB -0.929 41.063 42.059 -0.113 0.000 0.896 619 L HN 0.224 nan 8.230 nan 0.000 0.432 620 A N -1.599 121.149 122.820 -0.119 0.000 1.933 620 A HA -0.277 4.049 4.320 0.009 0.000 0.218 620 A C 2.415 179.945 177.584 -0.091 0.000 1.175 620 A CA 1.740 53.726 52.037 -0.085 0.000 0.628 620 A CB -1.022 18.002 19.000 0.039 0.000 0.814 620 A HN 0.717 nan 8.150 nan 0.000 0.444 621 H N -0.265 118.711 119.070 -0.156 0.000 2.395 621 H HA 0.075 4.636 4.556 0.008 0.000 0.299 621 H C 1.865 177.090 175.328 -0.171 0.000 1.070 621 H CA 1.558 57.528 56.048 -0.131 0.000 1.356 621 H CB -0.038 29.657 29.762 -0.113 0.000 1.401 621 H HN 0.424 nan 8.280 nan 0.000 0.524 622 L N 0.395 121.493 121.223 -0.208 0.000 2.072 622 L HA -0.117 4.228 4.340 0.009 0.000 0.205 622 L C 2.854 179.376 176.870 -0.579 0.000 1.079 622 L CA 1.347 55.938 54.840 -0.414 0.000 0.752 622 L CB -0.301 41.313 42.059 -0.742 0.000 0.906 622 L HN 0.293 nan 8.230 nan 0.000 0.436 623 S N -0.795 114.571 115.700 -0.557 0.000 2.446 623 S HA 0.047 4.523 4.470 0.009 0.000 0.225 623 S C 1.667 176.217 174.600 -0.083 0.000 1.016 623 S CA 0.518 58.568 58.200 -0.250 0.000 0.943 623 S CB 0.096 63.214 63.200 -0.135 0.000 0.786 623 S HN 0.494 nan 8.310 nan 0.000 0.508 624 G N 1.454 110.170 108.800 -0.140 0.000 2.153 624 G HA2 -0.302 3.664 3.960 0.009 0.000 0.252 624 G HA3 -0.302 3.664 3.960 0.009 0.000 0.252 624 G C -0.255 174.615 174.900 -0.049 0.000 0.994 624 G CA 0.307 45.346 45.100 -0.102 0.000 0.698 624 G HN 0.774 nan 8.290 nan 0.000 0.521 625 D N 0.125 120.500 120.400 -0.043 0.000 2.458 625 D HA 0.348 4.993 4.640 0.009 0.000 0.243 625 D C 1.778 178.070 176.300 -0.014 0.000 1.146 625 D CA 0.179 54.172 54.000 -0.010 0.000 0.877 625 D CB 0.675 41.472 40.800 -0.006 0.000 1.176 625 D HN 0.253 nan 8.370 nan 0.000 0.461 626 E N 3.121 123.324 120.200 0.005 0.000 2.005 626 E HA -0.282 4.073 4.350 0.009 0.000 0.198 626 E C 2.138 178.740 176.600 0.003 0.000 1.010 626 E CA 1.739 58.140 56.400 0.003 0.000 0.825 626 E CB -1.488 28.216 29.700 0.007 0.000 0.769 626 E HN 0.698 nan 8.360 nan 0.000 0.456 627 N N 1.446 120.163 118.700 0.028 0.000 2.192 627 N HA -0.159 4.587 4.740 0.009 0.000 0.188 627 N C 1.975 177.492 175.510 0.011 0.000 1.013 627 N CA 1.676 54.753 53.050 0.044 0.000 0.863 627 N CB -0.632 37.913 38.487 0.097 0.000 0.990 627 N HN 0.086 nan 8.380 nan 0.000 0.430 628 L N 0.939 122.126 121.223 -0.060 0.000 2.072 628 L HA 0.158 4.504 4.340 0.009 0.000 0.205 628 L C 2.430 179.201 176.870 -0.166 0.000 1.079 628 L CA 1.404 56.049 54.840 -0.325 0.000 0.752 628 L CB -0.361 41.387 42.059 -0.518 0.000 0.906 628 L HN 0.660 nan 8.230 nan 0.000 0.436 629 I N -2.778 117.772 120.570 -0.034 0.000 2.394 629 I HA -0.155 4.021 4.170 0.009 0.000 0.251 629 I C 2.648 178.799 176.117 0.057 0.000 1.136 629 I CA 1.314 62.658 61.300 0.073 0.000 1.425 629 I CB -0.947 37.074 38.000 0.034 0.000 1.079 629 I HN 0.143 nan 8.210 nan 0.000 0.425 630 R N 1.537 122.030 120.500 -0.011 0.000 2.115 630 R HA 0.044 4.390 4.340 0.009 0.000 0.226 630 R C 2.185 178.444 176.300 -0.068 0.000 1.100 630 R CA 1.725 57.813 56.100 -0.020 0.000 0.980 630 R CB -1.961 28.325 30.300 -0.023 0.000 0.875 630 R HN 0.424 nan 8.270 nan 0.000 0.445 631 V N 0.269 120.077 119.914 -0.177 0.000 2.282 631 V HA -0.252 3.874 4.120 0.009 0.000 0.249 631 V C 2.362 178.250 176.094 -0.343 0.000 1.057 631 V CA 2.151 64.252 62.300 -0.333 0.000 1.032 631 V CB -0.708 30.740 31.823 -0.625 0.000 0.645 631 V HN 0.559 nan 8.190 nan 0.000 0.447 632 F N -0.024 119.882 119.950 -0.072 0.000 2.293 632 F HA -0.063 4.473 4.527 0.015 0.000 0.297 632 F C 2.567 178.349 175.800 -0.029 0.000 1.089 632 F CA 1.050 59.019 58.000 -0.052 0.000 1.377 632 F CB -0.736 38.229 39.000 -0.058 0.000 1.051 632 F HN 0.132 nan 8.300 nan 0.000 0.511 633 Q N 0.078 119.956 119.800 0.130 0.000 2.226 633 Q HA -0.150 4.196 4.340 0.009 0.000 0.204 633 Q C 2.088 178.113 176.000 0.042 0.000 0.975 633 Q CA 1.567 57.415 55.803 0.074 0.000 0.866 633 Q CB -0.345 28.420 28.738 0.045 0.000 0.915 633 Q HN 0.626 nan 8.270 nan 0.000 0.440 634 E N 0.049 120.257 120.200 0.014 0.000 2.489 634 E HA 0.203 4.559 4.350 0.009 0.000 0.193 634 E C 1.206 177.807 176.600 0.003 0.000 1.057 634 E CA 0.552 56.950 56.400 -0.004 0.000 0.866 634 E CB -0.430 29.251 29.700 -0.031 0.000 0.916 634 E HN 0.504 nan 8.360 nan 0.000 0.500 635 G N 0.588 109.407 108.800 0.031 0.000 2.153 635 G HA2 -0.317 3.648 3.960 0.009 0.000 0.252 635 G HA3 -0.317 3.648 3.960 0.009 0.000 0.252 635 G C 0.619 175.528 174.900 0.015 0.000 0.994 635 G CA 0.455 45.583 45.100 0.046 0.000 0.698 635 G HN 0.552 nan 8.290 nan 0.000 0.521 636 R N 0.019 120.489 120.500 -0.050 0.000 2.649 636 R HA 0.454 4.800 4.340 0.009 0.000 0.270 636 R C -0.613 175.630 176.300 -0.095 0.000 1.105 636 R CA -0.084 55.963 56.100 -0.088 0.000 1.193 636 R CB 0.490 30.701 30.300 -0.149 0.000 1.120 636 R HN 0.212 nan 8.270 nan 0.000 0.561 637 D N 1.432 121.785 120.400 -0.078 0.000 2.473 637 D HA 0.106 4.752 4.640 0.009 0.000 0.253 637 D C 0.593 176.827 176.300 -0.109 0.000 1.233 637 D CA -0.443 53.522 54.000 -0.058 0.000 0.908 637 D CB 1.100 41.920 40.800 0.034 0.000 1.170 637 D HN 0.245 nan 8.370 nan 0.000 0.558 638 I N 3.295 123.720 120.570 -0.242 0.000 2.264 638 I HA -0.256 3.920 4.170 0.009 0.000 0.248 638 I C 2.184 178.231 176.117 -0.117 0.000 1.111 638 I CA 1.187 62.342 61.300 -0.241 0.000 1.382 638 I CB -0.472 37.304 38.000 -0.374 0.000 1.060 638 I HN 0.541 nan 8.210 nan 0.000 0.418 639 H N -0.209 118.861 119.070 0.000 0.000 2.321 639 H HA -0.078 4.483 4.556 0.009 0.000 0.300 639 H C 2.356 177.730 175.328 0.076 0.000 1.087 639 H CA 1.960 58.027 56.048 0.032 0.000 1.319 639 H CB -1.030 28.756 29.762 0.040 0.000 1.379 639 H HN 0.284 nan 8.280 nan 0.000 0.501 640 T N 1.207 115.868 114.554 0.179 0.000 2.821 640 T HA -0.095 4.261 4.350 0.009 0.000 0.267 640 T C 1.867 176.647 174.700 0.133 0.000 1.046 640 T CA 1.176 63.358 62.100 0.137 0.000 1.139 640 T CB -0.007 68.917 68.868 0.093 0.000 0.871 640 T HN 0.496 nan 8.240 nan 0.000 0.454 641 E N 0.545 120.803 120.200 0.097 0.000 2.106 641 E HA -0.085 4.271 4.350 0.009 0.000 0.192 641 E C 2.351 179.063 176.600 0.188 0.000 0.984 641 E CA 1.197 57.657 56.400 0.100 0.000 0.806 641 E CB -0.206 29.507 29.700 0.020 0.000 0.750 641 E HN 0.353 nan 8.360 nan 0.000 0.458 642 T N 0.802 115.484 114.554 0.213 0.000 2.857 642 T HA -0.066 4.290 4.350 0.009 0.000 0.266 642 T C 1.970 176.914 174.700 0.407 0.000 1.048 642 T CA 1.042 63.347 62.100 0.342 0.000 1.139 642 T CB -0.096 68.975 68.868 0.338 0.000 0.874 642 T HN 0.226 nan 8.240 nan 0.000 0.455 643 A N 0.890 123.909 122.820 0.332 0.000 1.930 643 A HA -0.061 4.265 4.320 0.009 0.000 0.217 643 A C 2.532 180.356 177.584 0.400 0.000 1.175 643 A CA 1.976 54.250 52.037 0.395 0.000 0.627 643 A CB -0.946 18.229 19.000 0.292 0.000 0.815 643 A HN 0.452 nan 8.150 nan 0.000 0.443 644 S N -1.689 114.183 115.700 0.287 0.000 2.356 644 S HA -0.222 4.253 4.470 0.009 0.000 0.223 644 S C 1.702 176.451 174.600 0.249 0.000 1.032 644 S CA 1.753 60.092 58.200 0.231 0.000 1.005 644 S CB -0.510 62.796 63.200 0.177 0.000 0.867 644 S HN 0.762 nan 8.310 nan 0.000 0.449 645 W N 1.617 122.984 121.300 0.111 0.000 2.355 645 W HA -0.058 4.601 4.660 -0.000 0.000 0.309 645 W C 2.138 178.667 176.519 0.016 0.000 1.206 645 W CA 1.734 59.125 57.345 0.077 0.000 1.284 645 W CB -0.440 29.089 29.460 0.114 0.000 1.145 645 W HN 0.286 nan 8.180 nan 0.000 0.502 646 M N -0.854 118.705 119.600 -0.068 0.000 2.117 646 M HA -0.151 4.335 4.480 0.009 0.000 0.262 646 M C 1.067 176.985 176.300 -0.636 0.000 1.065 646 M CA 1.648 56.619 55.300 -0.549 0.000 1.114 646 M CB -0.690 31.657 32.600 -0.422 0.000 1.361 646 M HN -0.101 nan 8.290 nan 0.000 0.408 647 F N -0.079 119.784 119.950 -0.146 0.000 2.668 647 F HA 0.364 4.894 4.527 0.005 0.000 0.297 647 F C 1.415 177.150 175.800 -0.108 0.000 1.124 647 F CA -0.328 57.603 58.000 -0.115 0.000 1.353 647 F CB -0.712 38.255 39.000 -0.054 0.000 0.992 647 F HN 0.249 nan 8.300 nan 0.000 0.524 648 G N 1.905 110.686 108.800 -0.031 0.000 2.421 648 G HA2 -0.137 3.829 3.960 0.009 0.000 0.300 648 G HA3 -0.137 3.829 3.960 0.009 0.000 0.300 648 G C -0.097 174.826 174.900 0.039 0.000 0.974 648 G CA 0.604 45.688 45.100 -0.027 0.000 1.062 648 G HN 0.544 nan 8.290 nan 0.000 0.514 649 V N -3.413 116.549 119.914 0.080 0.000 3.040 649 V HA 0.944 5.070 4.120 0.009 0.000 0.312 649 V C -2.088 174.046 176.094 0.066 0.000 1.115 649 V CA -2.625 59.713 62.300 0.064 0.000 0.998 649 V CB 2.494 34.352 31.823 0.058 0.000 1.042 649 V HN 0.140 nan 8.190 nan 0.000 0.433 650 P HA 0.259 nan 4.420 nan 0.000 0.271 650 P C 0.047 177.376 177.300 0.050 0.000 1.218 650 P CA -0.144 62.984 63.100 0.047 0.000 0.780 650 P CB 1.182 32.902 31.700 0.032 0.000 0.901 651 R N 2.306 122.840 120.500 0.056 0.000 2.134 651 R HA -0.224 4.122 4.340 0.009 0.000 0.248 651 R C 2.042 178.365 176.300 0.038 0.000 1.143 651 R CA 2.432 58.565 56.100 0.055 0.000 0.957 651 R CB -1.317 29.013 30.300 0.049 0.000 0.867 651 R HN 0.675 nan 8.270 nan 0.000 0.441 652 E N -0.336 119.881 120.200 0.028 0.000 2.515 652 E HA -0.031 4.324 4.350 0.009 0.000 0.201 652 E C 0.981 177.587 176.600 0.010 0.000 1.071 652 E CA 0.927 57.339 56.400 0.019 0.000 0.880 652 E CB 0.047 29.757 29.700 0.016 0.000 0.828 652 E HN 0.396 nan 8.360 nan 0.000 0.540 653 A N 0.946 123.771 122.820 0.009 0.000 2.343 653 A HA 0.214 4.539 4.320 0.009 0.000 0.223 653 A C 0.818 178.382 177.584 -0.032 0.000 1.214 653 A CA -0.366 51.666 52.037 -0.008 0.000 0.900 653 A CB 0.504 19.503 19.000 -0.002 0.000 0.942 653 A HN 0.112 nan 8.150 nan 0.000 0.507 654 V N 3.739 123.640 119.914 -0.021 0.000 2.485 654 V HA 0.081 4.207 4.120 0.009 0.000 0.287 654 V C 0.051 176.106 176.094 -0.065 0.000 1.022 654 V CA -0.266 62.002 62.300 -0.052 0.000 1.067 654 V CB 0.077 31.904 31.823 0.007 0.000 0.967 654 V HN 0.637 nan 8.190 nan 0.000 0.479 655 D N 6.039 126.366 120.400 -0.121 0.000 2.388 655 D HA 0.267 4.912 4.640 0.009 0.000 0.254 655 D C -2.162 174.090 176.300 -0.079 0.000 1.111 655 D CA -2.061 51.885 54.000 -0.091 0.000 0.993 655 D CB 1.715 42.451 40.800 -0.107 0.000 1.118 655 D HN 0.164 nan 8.370 nan 0.000 0.502 656 P HA -0.045 nan 4.420 nan 0.000 0.219 656 P C 1.376 178.653 177.300 -0.039 0.000 1.146 656 P CA 0.979 64.063 63.100 -0.027 0.000 0.808 656 P CB 0.132 31.822 31.700 -0.017 0.000 0.779 657 L N -2.703 118.480 121.223 -0.067 0.000 2.552 657 L HA 0.055 4.401 4.340 0.009 0.000 0.227 657 L C 2.165 178.984 176.870 -0.085 0.000 1.146 657 L CA 0.764 55.568 54.840 -0.061 0.000 0.858 657 L CB -0.500 41.521 42.059 -0.063 0.000 0.969 657 L HN 0.047 nan 8.230 nan 0.000 0.451 658 M N -1.172 118.323 119.600 -0.175 0.000 2.556 658 M HA -0.021 4.465 4.480 0.009 0.000 0.264 658 M C 2.362 178.690 176.300 0.047 0.000 1.163 658 M CA 0.891 56.018 55.300 -0.289 0.000 1.186 658 M CB -0.036 32.145 32.600 -0.699 0.000 1.321 658 M HN 0.057 nan 8.290 nan 0.000 0.485 659 R N 0.614 121.126 120.500 0.020 0.000 2.073 659 R HA -0.099 4.246 4.340 0.009 0.000 0.234 659 R C 2.252 178.586 176.300 0.058 0.000 1.134 659 R CA 1.577 57.725 56.100 0.081 0.000 0.952 659 R CB -0.037 30.303 30.300 0.067 0.000 0.850 659 R HN 0.230 nan 8.270 nan 0.000 0.433 660 R N -0.090 120.426 120.500 0.027 0.000 2.094 660 R HA -0.175 4.171 4.340 0.009 0.000 0.239 660 R C 2.315 178.647 176.300 0.052 0.000 1.137 660 R CA 1.701 57.809 56.100 0.014 0.000 0.943 660 R CB -0.561 29.747 30.300 0.014 0.000 0.850 660 R HN 0.321 nan 8.270 nan 0.000 0.433 661 A N 1.069 123.956 122.820 0.111 0.000 1.917 661 A HA -0.198 4.128 4.320 0.009 0.000 0.219 661 A C 2.372 180.042 177.584 0.143 0.000 1.182 661 A CA 1.973 54.101 52.037 0.152 0.000 0.633 661 A CB -0.655 18.511 19.000 0.275 0.000 0.819 661 A HN 0.472 nan 8.150 nan 0.000 0.448 662 A N -0.345 122.582 122.820 0.178 0.000 1.902 662 A HA -0.180 4.145 4.320 0.009 0.000 0.217 662 A C 2.106 179.760 177.584 0.116 0.000 1.181 662 A CA 1.824 53.971 52.037 0.182 0.000 0.623 662 A CB -0.442 18.702 19.000 0.239 0.000 0.818 662 A HN 0.570 nan 8.150 nan 0.000 0.443 663 K N -1.164 119.228 120.400 -0.013 0.000 2.032 663 K HA -0.163 4.162 4.320 0.009 0.000 0.209 663 K C 2.283 178.913 176.600 0.049 0.000 1.048 663 K CA 1.804 57.990 56.287 -0.168 0.000 0.927 663 K CB -0.542 31.773 32.500 -0.309 0.000 0.712 663 K HN 0.552 nan 8.250 nan 0.000 0.441 664 T N 1.035 115.662 114.554 0.120 0.000 2.881 664 T HA -0.102 4.253 4.350 0.009 0.000 0.270 664 T C 1.780 176.574 174.700 0.157 0.000 1.068 664 T CA 0.778 62.983 62.100 0.175 0.000 1.131 664 T CB -0.043 68.903 68.868 0.130 0.000 0.871 664 T HN -0.001 nan 8.240 nan 0.000 0.479 665 I N 1.838 122.480 120.570 0.121 0.000 2.233 665 I HA -0.046 4.129 4.170 0.009 0.000 0.243 665 I C 2.434 178.663 176.117 0.185 0.000 1.093 665 I CA 1.048 62.422 61.300 0.124 0.000 1.380 665 I CB -1.368 36.681 38.000 0.082 0.000 1.067 665 I HN 0.334 nan 8.210 nan 0.000 0.413 666 N N 0.999 119.800 118.700 0.169 0.000 2.058 666 N HA -0.137 4.608 4.740 0.009 0.000 0.191 666 N C 2.039 177.577 175.510 0.048 0.000 1.037 666 N CA 1.433 54.590 53.050 0.178 0.000 0.848 666 N CB -0.514 37.987 38.487 0.023 0.000 1.021 666 N HN 0.313 nan 8.380 nan 0.000 0.422 667 F N 0.928 120.986 119.950 0.180 0.000 2.259 667 F HA 0.009 4.544 4.527 0.013 0.000 0.298 667 F C 2.565 178.409 175.800 0.074 0.000 1.088 667 F CA 0.530 58.568 58.000 0.062 0.000 1.358 667 F CB -0.441 38.683 39.000 0.205 0.000 1.040 667 F HN 0.093 nan 8.300 nan 0.000 0.505 668 G N 0.195 109.168 108.800 0.287 0.000 2.433 668 G HA2 -0.214 3.751 3.960 0.009 0.000 0.216 668 G HA3 -0.214 3.751 3.960 0.009 0.000 0.216 668 G C 1.720 176.718 174.900 0.164 0.000 1.186 668 G CA 1.157 46.392 45.100 0.225 0.000 0.779 668 G HN 0.197 nan 8.290 nan 0.000 0.543 669 V N 0.971 120.934 119.914 0.081 0.000 2.343 669 V HA -0.097 4.029 4.120 0.009 0.000 0.247 669 V C 2.663 178.753 176.094 -0.006 0.000 1.051 669 V CA 1.445 63.736 62.300 -0.014 0.000 1.036 669 V CB -0.398 31.314 31.823 -0.184 0.000 0.654 669 V HN 0.376 nan 8.190 nan 0.000 0.451 670 L N -0.683 120.462 121.223 -0.130 0.000 2.017 670 L HA -0.203 4.142 4.340 0.009 0.000 0.208 670 L C 2.193 179.239 176.870 0.295 0.000 1.073 670 L CA 2.134 56.963 54.840 -0.018 0.000 0.745 670 L CB -0.312 41.622 42.059 -0.209 0.000 0.894 670 L HN 0.372 nan 8.230 nan 0.000 0.432 671 Y N -0.543 120.003 120.300 0.411 0.000 2.502 671 Y HA 0.131 4.688 4.550 0.011 0.000 0.295 671 Y C 1.536 177.597 175.900 0.269 0.000 1.193 671 Y CA 0.179 58.467 58.100 0.314 0.000 1.295 671 Y CB 0.257 38.783 38.460 0.110 0.000 1.059 671 Y HN 0.474 nan 8.280 nan 0.000 0.514 672 G N 0.230 109.276 108.800 0.410 0.000 2.183 672 G HA2 -0.253 3.713 3.960 0.009 0.000 0.168 672 G HA3 -0.253 3.713 3.960 0.009 0.000 0.168 672 G C 0.215 175.212 174.900 0.162 0.000 1.008 672 G CA -0.295 44.973 45.100 0.279 0.000 0.677 672 G HN 0.259 nan 8.290 nan 0.000 0.498 673 M N 2.604 122.293 119.600 0.148 0.000 2.252 673 M HA 0.444 4.929 4.480 0.009 0.000 0.329 673 M C 1.118 177.464 176.300 0.076 0.000 1.101 673 M CA 0.793 56.154 55.300 0.102 0.000 1.117 673 M CB 0.516 33.175 32.600 0.098 0.000 1.563 673 M HN 0.722 nan 8.290 nan 0.000 0.445 674 S N 3.966 119.705 115.700 0.066 0.000 2.616 674 S HA 0.574 5.049 4.470 0.009 0.000 0.277 674 S C 0.901 175.528 174.600 0.045 0.000 1.234 674 S CA -0.457 57.783 58.200 0.067 0.000 1.028 674 S CB 1.513 64.780 63.200 0.111 0.000 0.988 674 S HN 0.867 nan 8.310 nan 0.000 0.522 675 A N 1.022 123.828 122.820 -0.022 0.000 1.917 675 A HA -0.178 4.148 4.320 0.009 0.000 0.219 675 A C 2.054 179.589 177.584 -0.081 0.000 1.182 675 A CA 2.090 54.011 52.037 -0.192 0.000 0.633 675 A CB -1.846 16.795 19.000 -0.598 0.000 0.819 675 A HN 1.107 nan 8.150 nan 0.000 0.448 676 H N -0.780 118.305 119.070 0.026 0.000 2.265 676 H HA -0.220 4.341 4.556 0.009 0.000 0.293 676 H C 2.422 177.818 175.328 0.114 0.000 1.089 676 H CA 1.851 58.038 56.048 0.232 0.000 1.244 676 H CB -0.100 29.822 29.762 0.267 0.000 1.355 676 H HN 0.465 nan 8.280 nan 0.000 0.485 677 R N 0.519 121.034 120.500 0.025 0.000 2.120 677 R HA -0.093 4.252 4.340 0.009 0.000 0.234 677 R C 2.655 178.961 176.300 0.010 0.000 1.123 677 R CA 1.083 57.142 56.100 -0.069 0.000 0.975 677 R CB -0.163 30.098 30.300 -0.066 0.000 0.866 677 R HN 0.461 nan 8.270 nan 0.000 0.446 678 L N 0.519 121.760 121.223 0.030 0.000 2.005 678 L HA -0.183 4.163 4.340 0.009 0.000 0.207 678 L C 2.409 179.290 176.870 0.018 0.000 1.072 678 L CA 1.992 56.843 54.840 0.019 0.000 0.744 678 L CB -0.436 41.637 42.059 0.024 0.000 0.895 678 L HN 0.384 nan 8.230 nan 0.000 0.433 679 S N -0.847 114.879 115.700 0.043 0.000 2.353 679 S HA -0.359 4.116 4.470 0.009 0.000 0.222 679 S C 1.904 176.548 174.600 0.073 0.000 1.035 679 S CA 1.675 59.916 58.200 0.067 0.000 1.025 679 S CB -0.769 62.511 63.200 0.134 0.000 0.902 679 S HN 0.619 nan 8.310 nan 0.000 0.440 680 Q N 1.120 120.985 119.800 0.108 0.000 2.030 680 Q HA -0.249 4.096 4.340 0.009 0.000 0.204 680 Q C 2.248 178.265 176.000 0.029 0.000 0.986 680 Q CA 2.027 57.878 55.803 0.080 0.000 0.843 680 Q CB -0.345 28.434 28.738 0.068 0.000 0.904 680 Q HN 0.627 nan 8.270 nan 0.000 0.420 681 E N 0.480 120.688 120.200 0.013 0.000 2.033 681 E HA -0.178 4.178 4.350 0.009 0.000 0.199 681 E C 1.843 178.424 176.600 -0.031 0.000 1.011 681 E CA 1.771 58.169 56.400 -0.005 0.000 0.815 681 E CB -0.301 29.396 29.700 -0.003 0.000 0.755 681 E HN 0.489 nan 8.360 nan 0.000 0.451 682 L N -0.794 120.397 121.223 -0.054 0.000 2.599 682 L HA 0.201 4.546 4.340 0.009 0.000 0.230 682 L C 0.997 177.803 176.870 -0.105 0.000 1.141 682 L CA 0.349 55.120 54.840 -0.115 0.000 0.877 682 L CB -0.312 41.656 42.059 -0.152 0.000 1.009 682 L HN 0.313 nan 8.230 nan 0.000 0.447 683 A N 0.828 123.620 122.820 -0.047 0.000 2.905 683 A HA -0.214 4.112 4.320 0.009 0.000 0.260 683 A C 0.444 178.008 177.584 -0.033 0.000 1.398 683 A CA 1.207 53.227 52.037 -0.030 0.000 0.840 683 A CB -2.535 16.438 19.000 -0.044 0.000 1.059 683 A HN 0.576 nan 8.150 nan 0.000 0.647 684 I N -3.970 116.585 120.570 -0.024 0.000 3.100 684 I HA 0.860 5.036 4.170 0.009 0.000 0.312 684 I C -2.384 173.758 176.117 0.042 0.000 1.063 684 I CA -3.279 58.013 61.300 -0.014 0.000 1.031 684 I CB 0.894 38.873 38.000 -0.035 0.000 1.243 684 I HN -0.032 nan 8.210 nan 0.000 0.483 685 P HA -0.001 nan 4.420 nan 0.000 0.270 685 P C -0.206 177.179 177.300 0.142 0.000 1.223 685 P CA 0.144 63.303 63.100 0.099 0.000 0.785 685 P CB 0.273 32.024 31.700 0.085 0.000 0.923 686 Y N 1.564 121.893 120.300 0.048 0.000 2.181 686 Y HA -0.274 4.282 4.550 0.011 0.000 0.288 686 Y C 2.528 178.469 175.900 0.069 0.000 1.146 686 Y CA 2.644 60.779 58.100 0.058 0.000 1.164 686 Y CB -0.802 37.675 38.460 0.027 0.000 0.982 686 Y HN 0.457 nan 8.280 nan 0.000 0.515 687 E N 0.515 120.848 120.200 0.221 0.000 2.023 687 E HA -0.246 4.109 4.350 0.009 0.000 0.196 687 E C 2.022 178.668 176.600 0.077 0.000 1.003 687 E CA 2.160 58.644 56.400 0.141 0.000 0.809 687 E CB -1.563 28.222 29.700 0.141 0.000 0.755 687 E HN 0.706 nan 8.360 nan 0.000 0.449 688 E N 0.140 120.402 120.200 0.103 0.000 2.265 688 E HA 0.216 4.571 4.350 0.009 0.000 0.196 688 E C 2.339 179.052 176.600 0.189 0.000 0.996 688 E CA 1.747 58.238 56.400 0.153 0.000 0.832 688 E CB -0.759 29.038 29.700 0.162 0.000 0.756 688 E HN 0.883 nan 8.360 nan 0.000 0.491 689 A N -0.235 122.642 122.820 0.094 0.000 1.970 689 A HA -0.060 4.265 4.320 0.009 0.000 0.216 689 A C 2.270 179.878 177.584 0.039 0.000 1.170 689 A CA 1.576 53.664 52.037 0.084 0.000 0.645 689 A CB -0.127 18.859 19.000 -0.023 0.000 0.816 689 A HN 0.503 nan 8.150 nan 0.000 0.447 690 Q N -0.547 119.200 119.800 -0.088 0.000 2.172 690 Q HA -0.049 4.296 4.340 0.009 0.000 0.200 690 Q C 2.089 178.089 176.000 -0.001 0.000 0.964 690 Q CA 1.178 56.917 55.803 -0.108 0.000 0.855 690 Q CB -0.241 28.399 28.738 -0.164 0.000 0.918 690 Q HN 0.615 nan 8.270 nan 0.000 0.444 691 A N 0.120 122.970 122.820 0.051 0.000 1.897 691 A HA -0.142 4.184 4.320 0.009 0.000 0.215 691 A C 1.769 179.371 177.584 0.031 0.000 1.181 691 A CA 0.863 52.931 52.037 0.051 0.000 0.620 691 A CB -0.828 18.224 19.000 0.087 0.000 0.821 691 A HN 0.586 nan 8.150 nan 0.000 0.443 692 F N 0.937 120.845 119.950 -0.070 0.000 2.126 692 F HA -0.187 4.343 4.527 0.005 0.000 0.299 692 F C 1.915 177.651 175.800 -0.107 0.000 1.096 692 F CA 1.859 59.736 58.000 -0.205 0.000 1.255 692 F CB -0.186 38.665 39.000 -0.249 0.000 0.997 692 F HN 0.187 nan 8.300 nan 0.000 0.479 693 I N 0.399 120.962 120.570 -0.013 0.000 2.315 693 I HA -0.196 3.980 4.170 0.009 0.000 0.248 693 I C 2.789 178.907 176.117 0.002 0.000 1.117 693 I CA 1.336 62.617 61.300 -0.031 0.000 1.404 693 I CB -1.293 36.726 38.000 0.032 0.000 1.071 693 I HN 0.346 nan 8.210 nan 0.000 0.419 694 E N 1.455 121.636 120.200 -0.031 0.000 2.058 694 E HA -0.286 4.070 4.350 0.009 0.000 0.194 694 E C 2.533 179.103 176.600 -0.050 0.000 0.997 694 E CA 2.219 58.604 56.400 -0.025 0.000 0.801 694 E CB -1.106 28.575 29.700 -0.030 0.000 0.746 694 E HN 0.589 nan 8.360 nan 0.000 0.450 695 R N -0.645 119.770 120.500 -0.140 0.000 2.075 695 R HA -0.004 4.342 4.340 0.009 0.000 0.232 695 R C 2.279 178.391 176.300 -0.313 0.000 1.126 695 R CA 1.741 57.705 56.100 -0.227 0.000 0.963 695 R CB -1.597 28.533 30.300 -0.284 0.000 0.858 695 R HN 0.740 nan 8.270 nan 0.000 0.435 696 Y N 0.109 120.086 120.300 -0.538 0.000 2.014 696 Y HA -0.309 4.248 4.550 0.013 0.000 0.272 696 Y C 2.137 177.725 175.900 -0.520 0.000 1.164 696 Y CA 2.577 60.292 58.100 -0.642 0.000 1.114 696 Y CB -0.323 37.744 38.460 -0.655 0.000 0.961 696 Y HN 0.261 nan 8.280 nan 0.000 0.489 697 F N -0.187 119.817 119.950 0.089 0.000 2.325 697 F HA -0.111 4.423 4.527 0.012 0.000 0.299 697 F C 2.846 178.600 175.800 -0.076 0.000 1.090 697 F CA 1.525 59.573 58.000 0.080 0.000 1.392 697 F CB -1.249 37.795 39.000 0.074 0.000 1.053 697 F HN 0.242 nan 8.300 nan 0.000 0.521 698 Q N 0.270 120.077 119.800 0.012 0.000 2.167 698 Q HA -0.118 4.228 4.340 0.009 0.000 0.202 698 Q C 2.387 178.273 176.000 -0.189 0.000 0.970 698 Q CA 1.840 57.603 55.803 -0.066 0.000 0.855 698 Q CB -1.632 27.055 28.738 -0.085 0.000 0.911 698 Q HN 0.544 nan 8.270 nan 0.000 0.438 699 S N -0.615 114.829 115.700 -0.427 0.000 2.423 699 S HA 0.244 4.719 4.470 0.009 0.000 0.231 699 S C 0.900 175.139 174.600 -0.602 0.000 1.014 699 S CA 0.842 58.641 58.200 -0.669 0.000 0.965 699 S CB -0.097 62.412 63.200 -1.152 0.000 0.785 699 S HN 0.601 nan 8.310 nan 0.000 0.495 700 F N 1.462 121.314 119.950 -0.163 0.000 2.471 700 F HA 0.274 4.803 4.527 0.005 0.000 0.318 700 F C -1.634 174.146 175.800 -0.034 0.000 1.308 700 F CA -2.022 55.895 58.000 -0.138 0.000 1.162 700 F CB 1.471 40.332 39.000 -0.232 0.000 1.383 700 F HN -0.003 nan 8.300 nan 0.000 0.552 701 P HA -0.263 nan 4.420 nan 0.000 0.217 701 P C 1.327 178.700 177.300 0.122 0.000 1.148 701 P CA 1.519 64.676 63.100 0.096 0.000 0.834 701 P CB 0.377 32.105 31.700 0.047 0.000 0.783 702 K N -0.433 120.042 120.400 0.125 0.000 2.296 702 K HA 0.024 4.350 4.320 0.009 0.000 0.200 702 K C 2.161 178.875 176.600 0.191 0.000 1.048 702 K CA 0.358 56.722 56.287 0.128 0.000 0.966 702 K CB -0.871 31.681 32.500 0.087 0.000 0.754 702 K HN 0.115 nan 8.250 nan 0.000 0.466 703 V N 1.586 121.629 119.914 0.215 0.000 2.255 703 V HA -0.314 3.812 4.120 0.009 0.000 0.247 703 V C 2.975 179.282 176.094 0.354 0.000 1.051 703 V CA 2.713 65.185 62.300 0.288 0.000 1.018 703 V CB -0.918 31.054 31.823 0.247 0.000 0.641 703 V HN 0.377 nan 8.190 nan 0.000 0.445 704 R N 0.043 120.741 120.500 0.329 0.000 2.096 704 R HA -0.064 4.282 4.340 0.009 0.000 0.235 704 R C 2.313 178.657 176.300 0.073 0.000 1.127 704 R CA 2.178 58.385 56.100 0.178 0.000 0.968 704 R CB -1.523 28.852 30.300 0.126 0.000 0.861 704 R HN 0.659 nan 8.270 nan 0.000 0.440 705 A N -0.397 122.488 122.820 0.109 0.000 1.877 705 A HA -0.116 4.210 4.320 0.009 0.000 0.216 705 A C 2.248 179.869 177.584 0.062 0.000 1.186 705 A CA 1.538 53.613 52.037 0.065 0.000 0.620 705 A CB -0.892 18.158 19.000 0.083 0.000 0.822 705 A HN 0.883 nan 8.150 nan 0.000 0.443 706 W N 0.828 122.130 121.300 0.004 0.000 2.338 706 W HA -0.189 4.477 4.660 0.011 0.000 0.304 706 W C 1.745 178.256 176.519 -0.014 0.000 1.212 706 W CA 1.934 59.282 57.345 0.005 0.000 1.264 706 W CB -0.292 29.186 29.460 0.029 0.000 1.142 706 W HN 0.311 nan 8.180 nan 0.000 0.512 707 I N 0.669 121.123 120.570 -0.192 0.000 2.163 707 I HA -0.346 3.830 4.170 0.009 0.000 0.243 707 I C 2.367 178.186 176.117 -0.496 0.000 1.085 707 I CA 2.065 63.033 61.300 -0.553 0.000 1.347 707 I CB -0.772 36.919 38.000 -0.515 0.000 1.044 707 I HN 0.072 nan 8.210 nan 0.000 0.408 708 E N 0.963 120.983 120.200 -0.300 0.000 2.058 708 E HA -0.284 4.072 4.350 0.009 0.000 0.194 708 E C 2.529 178.988 176.600 -0.235 0.000 0.997 708 E CA 1.966 58.233 56.400 -0.222 0.000 0.801 708 E CB -0.245 29.372 29.700 -0.138 0.000 0.746 708 E HN 0.535 nan 8.360 nan 0.000 0.450 709 K N 0.789 121.033 120.400 -0.260 0.000 2.148 709 K HA -0.109 4.217 4.320 0.009 0.000 0.204 709 K C 2.125 178.535 176.600 -0.316 0.000 1.050 709 K CA 1.803 57.950 56.287 -0.233 0.000 0.942 709 K CB -1.316 31.079 32.500 -0.175 0.000 0.724 709 K HN 0.079 nan 8.250 nan 0.000 0.446 710 T N 1.214 115.440 114.554 -0.546 0.000 2.746 710 T HA -0.066 4.290 4.350 0.009 0.000 0.267 710 T C 1.896 176.414 174.700 -0.303 0.000 1.039 710 T CA 1.308 63.087 62.100 -0.534 0.000 1.142 710 T CB -0.178 68.116 68.868 -0.956 0.000 0.866 710 T HN 0.221 nan 8.240 nan 0.000 0.444 711 L N 1.138 122.202 121.223 -0.264 0.000 2.093 711 L HA 0.042 4.387 4.340 0.009 0.000 0.208 711 L C 2.588 179.380 176.870 -0.131 0.000 1.085 711 L CA 1.391 56.143 54.840 -0.148 0.000 0.755 711 L CB -0.886 41.107 42.059 -0.111 0.000 0.904 711 L HN 0.150 nan 8.230 nan 0.000 0.435 712 E N 0.772 120.886 120.200 -0.144 0.000 2.012 712 E HA -0.262 4.093 4.350 0.009 0.000 0.197 712 E C 1.961 178.488 176.600 -0.121 0.000 1.007 712 E CA 1.872 58.204 56.400 -0.114 0.000 0.816 712 E CB 0.030 29.665 29.700 -0.107 0.000 0.762 712 E HN 0.669 nan 8.360 nan 0.000 0.451 713 E N -0.629 119.483 120.200 -0.147 0.000 2.338 713 E HA -0.032 4.323 4.350 0.009 0.000 0.197 713 E C 1.968 178.435 176.600 -0.222 0.000 1.007 713 E CA 1.284 57.584 56.400 -0.168 0.000 0.849 713 E CB -0.938 28.663 29.700 -0.165 0.000 0.774 713 E HN 0.266 nan 8.360 nan 0.000 0.506 714 G N 0.404 109.083 108.800 -0.200 0.000 2.421 714 G HA2 -0.230 3.736 3.960 0.009 0.000 0.217 714 G HA3 -0.230 3.736 3.960 0.009 0.000 0.217 714 G C 1.763 176.575 174.900 -0.146 0.000 1.143 714 G CA 0.518 45.496 45.100 -0.203 0.000 0.784 714 G HN 0.186 nan 8.290 nan 0.000 0.541 715 R N -0.077 120.359 120.500 -0.107 0.000 2.062 715 R HA 0.065 4.411 4.340 0.009 0.000 0.231 715 R C 3.200 179.462 176.300 -0.064 0.000 1.136 715 R CA 2.056 58.117 56.100 -0.066 0.000 0.948 715 R CB -0.416 29.852 30.300 -0.055 0.000 0.845 715 R HN 0.308 nan 8.270 nan 0.000 0.430 716 R N 0.698 121.149 120.500 -0.082 0.000 2.066 716 R HA -0.046 4.300 4.340 0.009 0.000 0.232 716 R C 2.148 178.402 176.300 -0.076 0.000 1.131 716 R CA 1.920 57.980 56.100 -0.068 0.000 0.955 716 R CB -0.989 29.268 30.300 -0.070 0.000 0.851 716 R HN 0.241 nan 8.270 nan 0.000 0.432 717 R N -1.588 118.816 120.500 -0.161 0.000 2.246 717 R HA 0.098 4.443 4.340 0.009 0.000 0.199 717 R C 1.290 177.510 176.300 -0.133 0.000 0.984 717 R CA 0.979 56.947 56.100 -0.220 0.000 1.015 717 R CB 0.188 30.170 30.300 -0.530 0.000 0.930 717 R HN 0.659 nan 8.270 nan 0.000 0.475 718 G N -0.576 108.163 108.800 -0.100 0.000 2.159 718 G HA2 -0.321 3.644 3.960 0.009 0.000 0.256 718 G HA3 -0.321 3.644 3.960 0.009 0.000 0.256 718 G C -0.330 174.626 174.900 0.093 0.000 0.977 718 G CA 0.800 45.939 45.100 0.065 0.000 0.652 718 G HN 0.497 nan 8.290 nan 0.000 0.531 719 Y N -2.550 117.664 120.300 -0.144 0.000 2.677 719 Y HA 0.672 5.228 4.550 0.009 0.000 0.334 719 Y C -0.421 175.355 175.900 -0.207 0.000 1.196 719 Y CA -1.313 56.602 58.100 -0.308 0.000 1.059 719 Y CB 0.689 38.628 38.460 -0.868 0.000 1.315 719 Y HN 0.963 nan 8.280 nan 0.000 0.455 720 V N -0.518 119.388 119.914 -0.013 0.000 3.019 720 V HA 0.931 5.056 4.120 0.009 0.000 0.317 720 V C -0.698 175.488 176.094 0.154 0.000 1.094 720 V CA -0.672 61.622 62.300 -0.010 0.000 1.000 720 V CB 1.713 33.535 31.823 -0.001 0.000 1.060 720 V HN 1.161 nan 8.190 nan 0.000 0.443 721 E N 0.604 120.887 120.200 0.139 0.000 2.446 721 E HA 0.626 4.982 4.350 0.009 0.000 0.276 721 E C -0.698 175.982 176.600 0.133 0.000 0.969 721 E CA -0.558 55.929 56.400 0.146 0.000 0.800 721 E CB 2.181 31.998 29.700 0.196 0.000 1.341 721 E HN 0.893 nan 8.360 nan 0.000 0.460 722 T N -1.010 113.604 114.554 0.098 0.000 2.849 722 T HA 0.177 4.532 4.350 0.009 0.000 0.276 722 T C 1.211 175.958 174.700 0.079 0.000 0.971 722 T CA -0.594 61.548 62.100 0.070 0.000 0.949 722 T CB 0.759 69.628 68.868 0.003 0.000 1.093 722 T HN 0.472 nan 8.240 nan 0.000 0.545 723 L N -0.134 121.095 121.223 0.009 0.000 2.013 723 L HA 0.082 4.428 4.340 0.009 0.000 0.212 723 L C 2.098 179.074 176.870 0.177 0.000 1.073 723 L CA 1.705 56.573 54.840 0.048 0.000 0.753 723 L CB -1.060 40.937 42.059 -0.103 0.000 0.890 723 L HN 0.791 nan 8.230 nan 0.000 0.432 724 F N -0.571 119.315 119.950 -0.107 0.000 2.811 724 F HA 0.181 4.714 4.527 0.010 0.000 0.301 724 F C 1.644 177.418 175.800 -0.045 0.000 1.151 724 F CA 0.088 58.000 58.000 -0.146 0.000 1.412 724 F CB -0.153 38.789 39.000 -0.097 0.000 1.113 724 F HN 0.379 nan 8.300 nan 0.000 0.579 725 G N 1.805 110.709 108.800 0.173 0.000 2.140 725 G HA2 -0.300 3.666 3.960 0.009 0.000 0.211 725 G HA3 -0.300 3.666 3.960 0.009 0.000 0.211 725 G C 0.094 175.050 174.900 0.094 0.000 1.013 725 G CA -0.464 44.708 45.100 0.119 0.000 0.705 725 G HN 0.380 nan 8.290 nan 0.000 0.508 726 R N 0.347 120.903 120.500 0.094 0.000 2.389 726 R HA 0.531 4.877 4.340 0.009 0.000 0.295 726 R C 0.517 176.811 176.300 -0.009 0.000 1.075 726 R CA -0.343 55.781 56.100 0.039 0.000 1.005 726 R CB 0.343 30.668 30.300 0.041 0.000 0.987 726 R HN 0.380 nan 8.270 nan 0.000 0.452 727 R N 2.895 123.340 120.500 -0.092 0.000 2.604 727 R HA 0.394 4.740 4.340 0.009 0.000 0.287 727 R C -0.430 175.774 176.300 -0.160 0.000 0.970 727 R CA -0.815 55.178 56.100 -0.179 0.000 0.946 727 R CB 1.781 31.783 30.300 -0.496 0.000 1.127 727 R HN 0.495 nan 8.270 nan 0.000 0.473 728 R N 2.392 122.806 120.500 -0.143 0.000 2.514 728 R HA 0.219 4.565 4.340 0.009 0.000 0.296 728 R C -1.485 174.766 176.300 -0.081 0.000 1.012 728 R CA -0.607 55.459 56.100 -0.058 0.000 0.897 728 R CB 0.952 31.243 30.300 -0.015 0.000 1.184 728 R HN 0.549 nan 8.270 nan 0.000 0.440 729 Y N 2.999 123.333 120.300 0.057 0.000 2.359 729 Y HA 0.231 4.787 4.550 0.010 0.000 0.334 729 Y C 0.269 176.208 175.900 0.066 0.000 1.058 729 Y CA -0.216 57.944 58.100 0.100 0.000 1.244 729 Y CB 1.727 40.224 38.460 0.061 0.000 1.187 729 Y HN 0.218 nan 8.280 nan 0.000 0.510 730 V N 6.538 126.544 119.914 0.152 0.000 2.320 730 V HA 0.131 4.256 4.120 0.009 0.000 0.257 730 V C -1.642 174.505 176.094 0.088 0.000 0.996 730 V CA -1.273 61.082 62.300 0.092 0.000 0.928 730 V CB 0.803 32.651 31.823 0.041 0.000 1.169 730 V HN 0.697 nan 8.190 nan 0.000 0.475 731 P HA -0.153 nan 4.420 nan 0.000 0.216 731 P C 0.701 178.030 177.300 0.049 0.000 1.150 731 P CA 1.206 64.355 63.100 0.083 0.000 0.837 731 P CB 0.447 32.193 31.700 0.077 0.000 0.786 732 D N -0.337 120.088 120.400 0.041 0.000 2.407 732 D HA -0.023 4.623 4.640 0.009 0.000 0.234 732 D C 1.719 178.032 176.300 0.023 0.000 1.029 732 D CA 0.326 54.343 54.000 0.028 0.000 0.937 732 D CB -0.764 40.051 40.800 0.025 0.000 0.882 732 D HN 0.265 nan 8.370 nan 0.000 0.531 733 L N 0.208 121.444 121.223 0.022 0.000 2.465 733 L HA -0.046 4.299 4.340 0.009 0.000 0.224 733 L C 1.051 177.926 176.870 0.007 0.000 1.145 733 L CA 0.955 55.802 54.840 0.012 0.000 0.834 733 L CB 0.044 42.103 42.059 0.001 0.000 0.944 733 L HN 0.009 nan 8.230 nan 0.000 0.451 734 E N -0.342 119.864 120.200 0.010 0.000 2.887 734 E HA 0.263 4.619 4.350 0.009 0.000 0.206 734 E C 0.217 176.822 176.600 0.009 0.000 0.983 734 E CA -0.275 56.129 56.400 0.006 0.000 1.141 734 E CB 0.799 30.503 29.700 0.005 0.000 1.061 734 E HN 0.231 nan 8.360 nan 0.000 0.468 735 A N 1.426 124.253 122.820 0.011 0.000 2.425 735 A HA 0.165 4.490 4.320 0.009 0.000 0.242 735 A C 1.086 178.675 177.584 0.008 0.000 1.077 735 A CA -0.244 51.799 52.037 0.011 0.000 0.781 735 A CB 0.423 19.431 19.000 0.013 0.000 1.020 735 A HN 0.088 nan 8.150 nan 0.000 0.494 736 R N 0.852 121.356 120.500 0.007 0.000 2.317 736 R HA 0.107 4.453 4.340 0.009 0.000 0.208 736 R C -0.343 175.961 176.300 0.006 0.000 0.914 736 R CA 0.242 56.346 56.100 0.005 0.000 1.060 736 R CB -0.735 29.568 30.300 0.004 0.000 1.015 736 R HN 0.389 nan 8.270 nan 0.000 0.498 737 V N 2.419 122.338 119.914 0.008 0.000 2.318 737 V HA 0.134 4.259 4.120 0.009 0.000 0.271 737 V C 1.659 177.761 176.094 0.012 0.000 1.030 737 V CA -0.618 61.688 62.300 0.009 0.000 0.844 737 V CB 1.609 33.438 31.823 0.010 0.000 1.015 737 V HN 0.139 nan 8.190 nan 0.000 0.460 738 K N 3.238 123.645 120.400 0.012 0.000 2.071 738 K HA -0.283 4.043 4.320 0.009 0.000 0.217 738 K C 2.313 178.925 176.600 0.019 0.000 1.054 738 K CA 2.500 58.796 56.287 0.015 0.000 0.937 738 K CB -0.149 32.360 32.500 0.014 0.000 0.719 738 K HN 0.675 nan 8.250 nan 0.000 0.454 739 S N -0.143 115.568 115.700 0.019 0.000 2.377 739 S HA -0.181 4.295 4.470 0.009 0.000 0.224 739 S C 1.977 176.590 174.600 0.021 0.000 1.042 739 S CA 2.067 60.280 58.200 0.022 0.000 1.086 739 S CB -0.504 62.708 63.200 0.019 0.000 0.995 739 S HN 0.276 nan 8.310 nan 0.000 0.428 740 V N 2.501 122.426 119.914 0.018 0.000 2.287 740 V HA -0.175 3.950 4.120 0.009 0.000 0.248 740 V C 2.730 178.836 176.094 0.020 0.000 1.053 740 V CA 2.407 64.717 62.300 0.017 0.000 1.027 740 V CB -0.920 30.912 31.823 0.015 0.000 0.646 740 V HN 0.509 nan 8.190 nan 0.000 0.447 741 R N 0.210 120.721 120.500 0.019 0.000 2.097 741 R HA -0.222 4.124 4.340 0.009 0.000 0.236 741 R C 2.333 178.650 176.300 0.029 0.000 1.135 741 R CA 2.288 58.401 56.100 0.021 0.000 0.934 741 R CB -0.328 29.982 30.300 0.016 0.000 0.846 741 R HN 0.637 nan 8.270 nan 0.000 0.431 742 E N -0.304 119.916 120.200 0.033 0.000 2.153 742 E HA -0.181 4.174 4.350 0.009 0.000 0.194 742 E C 1.876 178.507 176.600 0.052 0.000 0.988 742 E CA 0.996 57.426 56.400 0.049 0.000 0.811 742 E CB -0.074 29.655 29.700 0.047 0.000 0.746 742 E HN 0.502 nan 8.360 nan 0.000 0.466 743 A N 1.577 124.417 122.820 0.035 0.000 1.929 743 A HA -0.006 4.319 4.320 0.009 0.000 0.216 743 A C 2.396 179.986 177.584 0.011 0.000 1.176 743 A CA 1.369 53.419 52.037 0.022 0.000 0.628 743 A CB -0.431 18.579 19.000 0.017 0.000 0.816 743 A HN 0.277 nan 8.150 nan 0.000 0.444 744 A N 0.334 123.165 122.820 0.018 0.000 1.858 744 A HA -0.194 4.131 4.320 0.009 0.000 0.216 744 A C 1.875 179.469 177.584 0.018 0.000 1.190 744 A CA 1.634 53.680 52.037 0.014 0.000 0.617 744 A CB -0.690 18.322 19.000 0.021 0.000 0.827 744 A HN 0.621 nan 8.150 nan 0.000 0.443 745 E N -0.337 119.894 120.200 0.051 0.000 2.097 745 E HA -0.251 4.104 4.350 0.009 0.000 0.196 745 E C 2.260 178.939 176.600 0.131 0.000 1.000 745 E CA 1.404 57.873 56.400 0.115 0.000 0.804 745 E CB -0.279 29.506 29.700 0.143 0.000 0.740 745 E HN 0.543 nan 8.360 nan 0.000 0.454 746 R N 0.139 120.654 120.500 0.024 0.000 2.092 746 R HA -0.043 4.303 4.340 0.009 0.000 0.231 746 R C 2.405 178.462 176.300 -0.405 0.000 1.119 746 R CA 1.276 57.225 56.100 -0.250 0.000 0.970 746 R CB -0.193 30.050 30.300 -0.094 0.000 0.864 746 R HN 0.242 nan 8.270 nan 0.000 0.440 747 M N -0.151 119.336 119.600 -0.189 0.000 2.175 747 M HA -0.059 4.427 4.480 0.009 0.000 0.264 747 M C 2.512 178.722 176.300 -0.149 0.000 1.063 747 M CA 1.559 56.760 55.300 -0.166 0.000 1.119 747 M CB -0.251 32.302 32.600 -0.077 0.000 1.377 747 M HN 0.191 nan 8.290 nan 0.000 0.415 748 A N 0.864 123.635 122.820 -0.080 0.000 1.898 748 A HA -0.146 4.180 4.320 0.009 0.000 0.216 748 A C 1.816 179.430 177.584 0.049 0.000 1.181 748 A CA 1.454 53.485 52.037 -0.009 0.000 0.620 748 A CB -0.907 18.110 19.000 0.027 0.000 0.819 748 A HN 0.646 nan 8.150 nan 0.000 0.442 749 F N -0.077 119.885 119.950 0.019 0.000 2.789 749 F HA 0.181 4.713 4.527 0.008 0.000 0.300 749 F C 1.375 177.330 175.800 0.257 0.000 1.132 749 F CA 0.573 58.618 58.000 0.075 0.000 1.404 749 F CB -0.478 38.526 39.000 0.008 0.000 1.114 749 F HN 0.256 nan 8.300 nan 0.000 0.584 750 N N 0.824 119.388 118.700 -0.226 0.000 2.333 750 N HA -0.140 4.606 4.740 0.009 0.000 0.178 750 N C 1.852 177.280 175.510 -0.135 0.000 1.018 750 N CA 0.970 53.816 53.050 -0.340 0.000 0.882 750 N CB -0.209 37.848 38.487 -0.717 0.000 0.984 750 N HN 0.352 nan 8.380 nan 0.000 0.434 751 M N 1.567 121.129 119.600 -0.063 0.000 2.082 751 M HA -0.081 4.404 4.480 0.009 0.000 0.258 751 M C -1.055 175.279 176.300 0.057 0.000 1.069 751 M CA 1.690 56.980 55.300 -0.016 0.000 1.102 751 M CB -1.857 30.741 32.600 -0.003 0.000 1.336 751 M HN -0.004 nan 8.290 nan 0.000 0.404 752 P HA -0.099 nan 4.420 nan 0.000 0.216 752 P C 1.815 179.185 177.300 0.117 0.000 1.153 752 P CA 1.338 64.563 63.100 0.208 0.000 0.848 752 P CB -0.108 31.870 31.700 0.464 0.000 0.787 753 V N -0.155 119.854 119.914 0.158 0.000 2.244 753 V HA -0.272 3.854 4.120 0.009 0.000 0.244 753 V C 2.675 178.766 176.094 -0.007 0.000 1.042 753 V CA 1.962 64.302 62.300 0.067 0.000 1.006 753 V CB -1.486 30.476 31.823 0.231 0.000 0.641 753 V HN 0.122 nan 8.190 nan 0.000 0.446 754 Q N 0.303 120.075 119.800 -0.046 0.000 2.084 754 Q HA -0.161 4.185 4.340 0.009 0.000 0.202 754 Q C 2.234 178.191 176.000 -0.072 0.000 0.978 754 Q CA 1.978 57.720 55.803 -0.101 0.000 0.844 754 Q CB -0.501 28.130 28.738 -0.179 0.000 0.898 754 Q HN 0.681 nan 8.270 nan 0.000 0.426 755 G N -0.868 107.903 108.800 -0.049 0.000 2.443 755 G HA2 -0.189 3.777 3.960 0.009 0.000 0.219 755 G HA3 -0.189 3.777 3.960 0.009 0.000 0.219 755 G C 1.267 176.117 174.900 -0.083 0.000 1.131 755 G CA 1.154 46.232 45.100 -0.037 0.000 0.775 755 G HN 0.329 nan 8.290 nan 0.000 0.547 756 T N 1.253 115.735 114.554 -0.121 0.000 2.896 756 T HA 0.142 4.497 4.350 0.009 0.000 0.263 756 T C 2.768 177.296 174.700 -0.286 0.000 1.050 756 T CA 1.109 63.063 62.100 -0.244 0.000 1.140 756 T CB -0.165 68.570 68.868 -0.222 0.000 0.877 756 T HN 0.334 nan 8.240 nan 0.000 0.457 757 A N 1.079 123.777 122.820 -0.203 0.000 2.067 757 A HA 0.312 4.638 4.320 0.009 0.000 0.219 757 A C 2.485 179.970 177.584 -0.163 0.000 1.158 757 A CA 1.495 53.402 52.037 -0.218 0.000 0.661 757 A CB -0.701 18.203 19.000 -0.161 0.000 0.801 757 A HN 0.482 nan 8.150 nan 0.000 0.452 758 A N 0.273 123.033 122.820 -0.100 0.000 1.874 758 A HA -0.096 4.229 4.320 0.009 0.000 0.214 758 A C 1.753 179.319 177.584 -0.030 0.000 1.189 758 A CA 1.508 53.532 52.037 -0.023 0.000 0.615 758 A CB -0.460 18.556 19.000 0.028 0.000 0.830 758 A HN 0.431 nan 8.150 nan 0.000 0.443 759 D N 0.030 120.379 120.400 -0.085 0.000 2.123 759 D HA -0.152 4.494 4.640 0.009 0.000 0.196 759 D C 1.812 178.079 176.300 -0.055 0.000 0.992 759 D CA 1.088 55.062 54.000 -0.044 0.000 0.833 759 D CB -0.380 40.277 40.800 -0.238 0.000 0.954 759 D HN 0.241 nan 8.370 nan 0.000 0.455 760 L N 0.387 121.474 121.223 -0.227 0.000 1.989 760 L HA -0.170 4.176 4.340 0.009 0.000 0.211 760 L C 2.468 179.318 176.870 -0.034 0.000 1.071 760 L CA 1.364 56.100 54.840 -0.174 0.000 0.749 760 L CB -0.813 41.045 42.059 -0.335 0.000 0.890 760 L HN 0.032 nan 8.230 nan 0.000 0.431 761 M N -0.745 118.831 119.600 -0.039 0.000 2.086 761 M HA -0.208 4.278 4.480 0.009 0.000 0.261 761 M C 2.157 178.507 176.300 0.083 0.000 1.067 761 M CA 1.783 57.131 55.300 0.081 0.000 1.116 761 M CB -0.309 32.339 32.600 0.081 0.000 1.348 761 M HN 0.053 nan 8.290 nan 0.000 0.407 762 K N -0.348 120.089 120.400 0.061 0.000 2.057 762 K HA -0.146 4.180 4.320 0.009 0.000 0.207 762 K C 2.086 178.732 176.600 0.078 0.000 1.049 762 K CA 1.496 57.816 56.287 0.056 0.000 0.931 762 K CB -0.504 32.037 32.500 0.068 0.000 0.714 762 K HN 0.393 nan 8.250 nan 0.000 0.440 763 L N 0.571 121.872 121.223 0.131 0.000 2.017 763 L HA -0.207 4.139 4.340 0.009 0.000 0.208 763 L C 2.463 179.418 176.870 0.142 0.000 1.073 763 L CA 1.312 56.251 54.840 0.166 0.000 0.745 763 L CB -0.460 41.778 42.059 0.299 0.000 0.894 763 L HN 0.228 nan 8.230 nan 0.000 0.432 764 A N -0.473 122.441 122.820 0.156 0.000 1.978 764 A HA -0.260 4.066 4.320 0.009 0.000 0.220 764 A C 2.164 179.815 177.584 0.113 0.000 1.170 764 A CA 1.872 54.003 52.037 0.156 0.000 0.636 764 A CB -0.429 18.703 19.000 0.220 0.000 0.810 764 A HN 0.471 nan 8.150 nan 0.000 0.448 765 M N -1.017 118.635 119.600 0.088 0.000 2.200 765 M HA -0.082 4.403 4.480 0.009 0.000 0.265 765 M C 1.963 178.309 176.300 0.077 0.000 1.066 765 M CA 1.071 56.406 55.300 0.059 0.000 1.127 765 M CB -0.258 32.340 32.600 -0.003 0.000 1.379 765 M HN 0.217 nan 8.290 nan 0.000 0.420 766 V N 0.639 120.589 119.914 0.058 0.000 2.548 766 V HA -0.214 3.912 4.120 0.009 0.000 0.249 766 V C 2.032 178.178 176.094 0.087 0.000 1.055 766 V CA 1.660 63.992 62.300 0.053 0.000 1.065 766 V CB -0.591 31.236 31.823 0.005 0.000 0.681 766 V HN 0.454 nan 8.190 nan 0.000 0.462 767 K N -0.307 120.147 120.400 0.090 0.000 2.098 767 K HA -0.002 4.324 4.320 0.009 0.000 0.203 767 K C 2.023 178.670 176.600 0.079 0.000 1.051 767 K CA 0.807 57.144 56.287 0.083 0.000 0.957 767 K CB -0.269 32.287 32.500 0.094 0.000 0.738 767 K HN 0.240 nan 8.250 nan 0.000 0.447 768 L N 0.901 122.177 121.223 0.089 0.000 2.056 768 L HA -0.068 4.278 4.340 0.009 0.000 0.207 768 L C 1.967 178.881 176.870 0.073 0.000 1.078 768 L CA 1.411 56.292 54.840 0.067 0.000 0.749 768 L CB -0.593 41.504 42.059 0.064 0.000 0.901 768 L HN 0.059 nan 8.230 nan 0.000 0.433 769 F N 2.095 122.033 119.950 -0.020 0.000 2.045 769 F HA -0.212 4.320 4.527 0.009 0.000 0.297 769 F C -0.468 175.308 175.800 -0.040 0.000 1.114 769 F CA 2.632 60.613 58.000 -0.032 0.000 1.207 769 F CB -1.925 37.060 39.000 -0.026 0.000 0.964 769 F HN 0.203 nan 8.300 nan 0.000 0.486 770 P HA -0.239 nan 4.420 nan 0.000 0.215 770 P C 1.375 178.531 177.300 -0.240 0.000 1.157 770 P CA 1.860 64.815 63.100 -0.240 0.000 0.874 770 P CB -0.325 31.344 31.700 -0.052 0.000 0.790 771 R N -0.146 120.269 120.500 -0.141 0.000 2.117 771 R HA -0.063 4.282 4.340 0.009 0.000 0.243 771 R C 2.645 178.856 176.300 -0.149 0.000 1.143 771 R CA 0.990 57.022 56.100 -0.113 0.000 0.968 771 R CB -1.685 28.579 30.300 -0.061 0.000 0.863 771 R HN 0.361 nan 8.270 nan 0.000 0.444 772 L N 0.664 121.769 121.223 -0.196 0.000 2.093 772 L HA -0.126 4.220 4.340 0.009 0.000 0.208 772 L C 2.370 179.096 176.870 -0.240 0.000 1.085 772 L CA 1.243 55.970 54.840 -0.188 0.000 0.755 772 L CB -0.433 41.526 42.059 -0.167 0.000 0.904 772 L HN 0.222 nan 8.230 nan 0.000 0.435 773 E N 0.660 120.621 120.200 -0.399 0.000 2.038 773 E HA -0.274 4.082 4.350 0.009 0.000 0.195 773 E C 1.917 178.392 176.600 -0.207 0.000 1.000 773 E CA 1.678 57.863 56.400 -0.359 0.000 0.803 773 E CB -0.235 29.169 29.700 -0.494 0.000 0.750 773 E HN 0.642 nan 8.360 nan 0.000 0.448 774 E N 0.531 120.620 120.200 -0.185 0.000 2.331 774 E HA -0.189 4.167 4.350 0.009 0.000 0.199 774 E C 1.798 178.336 176.600 -0.103 0.000 1.008 774 E CA 0.958 57.284 56.400 -0.123 0.000 0.843 774 E CB -0.186 29.452 29.700 -0.105 0.000 0.761 774 E HN 0.226 nan 8.360 nan 0.000 0.507 775 M N 0.163 119.696 119.600 -0.113 0.000 2.333 775 M HA 0.233 4.719 4.480 0.009 0.000 0.257 775 M C 0.722 176.965 176.300 -0.095 0.000 1.078 775 M CA 0.722 55.965 55.300 -0.096 0.000 1.005 775 M CB 0.864 33.409 32.600 -0.091 0.000 1.444 775 M HN 0.305 nan 8.290 nan 0.000 0.496 776 G N 1.497 110.245 108.800 -0.087 0.000 2.198 776 G HA2 -0.224 3.741 3.960 0.009 0.000 0.260 776 G HA3 -0.224 3.741 3.960 0.009 0.000 0.260 776 G C -0.078 174.825 174.900 0.004 0.000 1.025 776 G CA 0.347 45.418 45.100 -0.048 0.000 0.769 776 G HN 0.736 nan 8.290 nan 0.000 0.507 777 A N -0.795 122.022 122.820 -0.004 0.000 2.299 777 A HA 0.970 5.295 4.320 0.009 0.000 0.332 777 A C 0.354 177.987 177.584 0.081 0.000 1.131 777 A CA -0.651 51.431 52.037 0.074 0.000 0.844 777 A CB 1.095 20.099 19.000 0.005 0.000 1.251 777 A HN 0.511 nan 8.150 nan 0.000 0.486 778 R N 0.046 120.629 120.500 0.139 0.000 2.740 778 R HA 0.559 4.904 4.340 0.009 0.000 0.282 778 R C -0.801 175.541 176.300 0.069 0.000 0.969 778 R CA -0.458 55.697 56.100 0.091 0.000 0.918 778 R CB 2.104 32.440 30.300 0.060 0.000 1.175 778 R HN 0.781 nan 8.270 nan 0.000 0.464 779 M N 4.298 123.960 119.600 0.104 0.000 2.101 779 M HA 0.260 4.746 4.480 0.009 0.000 0.340 779 M C -0.583 175.717 176.300 -0.000 0.000 1.057 779 M CA -0.249 55.085 55.300 0.057 0.000 0.984 779 M CB 0.786 33.464 32.600 0.131 0.000 1.560 779 M HN 0.684 nan 8.290 nan 0.000 0.435 780 L N 4.750 125.934 121.223 -0.065 0.000 2.347 780 L HA 0.364 4.709 4.340 0.009 0.000 0.196 780 L C -0.112 176.703 176.870 -0.092 0.000 1.072 780 L CA 0.273 55.067 54.840 -0.076 0.000 0.817 780 L CB 0.090 42.083 42.059 -0.111 0.000 1.029 780 L HN 0.579 nan 8.230 nan 0.000 0.478 781 L N -0.268 120.852 121.223 -0.171 0.000 2.371 781 L HA 0.507 4.852 4.340 0.009 0.000 0.262 781 L C -0.854 175.885 176.870 -0.219 0.000 1.006 781 L CA -0.500 54.252 54.840 -0.147 0.000 0.818 781 L CB 2.157 44.113 42.059 -0.171 0.000 1.354 781 L HN -0.010 nan 8.230 nan 0.000 0.415 782 Q N 1.653 121.309 119.800 -0.241 0.000 2.337 782 Q HA 0.457 4.803 4.340 0.009 0.000 0.270 782 Q C -1.735 174.229 176.000 -0.058 0.000 1.043 782 Q CA -0.440 55.251 55.803 -0.187 0.000 0.794 782 Q CB 2.643 31.183 28.738 -0.330 0.000 1.281 782 Q HN 0.515 nan 8.270 nan 0.000 0.446 783 V N 5.770 125.670 119.914 -0.022 0.000 2.454 783 V HA 0.196 4.322 4.120 0.009 0.000 0.255 783 V C -0.043 176.019 176.094 -0.054 0.000 1.009 783 V CA -0.177 62.100 62.300 -0.039 0.000 1.149 783 V CB -0.624 31.321 31.823 0.204 0.000 1.418 783 V HN 1.077 nan 8.190 nan 0.000 0.567 784 H N 0.696 119.834 119.070 0.113 0.000 4.912 784 H HA -0.238 4.324 4.556 0.009 0.000 0.078 784 H C 1.305 176.687 175.328 0.090 0.000 0.572 784 H CA 2.026 58.124 56.048 0.084 0.000 1.083 784 H CB -0.611 29.189 29.762 0.064 0.000 0.482 784 H HN 0.743 nan 8.280 nan 0.000 0.736 785 D N 0.135 120.667 120.400 0.220 0.000 2.615 785 D HA 0.136 4.782 4.640 0.009 0.000 0.274 785 D C -0.018 176.445 176.300 0.272 0.000 1.512 785 D CA 0.191 54.356 54.000 0.275 0.000 0.803 785 D CB 0.395 41.343 40.800 0.247 0.000 1.182 785 D HN 0.620 nan 8.370 nan 0.000 0.473 786 E N 0.571 120.875 120.200 0.172 0.000 2.312 786 E HA 0.635 4.991 4.350 0.009 0.000 0.267 786 E C -1.465 175.170 176.600 0.058 0.000 0.894 786 E CA -0.818 55.654 56.400 0.121 0.000 0.773 786 E CB 2.159 31.962 29.700 0.173 0.000 1.241 786 E HN 0.046 nan 8.360 nan 0.000 0.432 787 L N 2.843 124.074 121.223 0.013 0.000 2.431 787 L HA 0.486 4.831 4.340 0.009 0.000 0.266 787 L C -1.146 175.675 176.870 -0.082 0.000 0.978 787 L CA -1.116 53.696 54.840 -0.046 0.000 0.822 787 L CB 2.253 44.283 42.059 -0.049 0.000 1.310 787 L HN 0.373 nan 8.230 nan 0.000 0.409 788 V N 4.586 124.397 119.914 -0.172 0.000 2.370 788 V HA 0.506 4.631 4.120 0.009 0.000 0.283 788 V C 0.016 176.001 176.094 -0.182 0.000 1.023 788 V CA -0.348 61.789 62.300 -0.271 0.000 0.857 788 V CB 1.654 33.104 31.823 -0.621 0.000 0.985 788 V HN 0.503 nan 8.190 nan 0.000 0.443 789 L N 3.524 124.679 121.223 -0.114 0.000 2.303 789 L HA 0.730 5.076 4.340 0.009 0.000 0.266 789 L C -0.247 176.615 176.870 -0.013 0.000 1.011 789 L CA -0.694 54.117 54.840 -0.048 0.000 0.818 789 L CB 2.181 44.230 42.059 -0.016 0.000 1.326 789 L HN 0.609 nan 8.230 nan 0.000 0.435 790 E N 0.907 121.140 120.200 0.055 0.000 2.255 790 E HA 0.651 5.007 4.350 0.009 0.000 0.256 790 E C -1.603 175.209 176.600 0.353 0.000 0.887 790 E CA -0.480 56.015 56.400 0.159 0.000 0.782 790 E CB 1.775 31.509 29.700 0.056 0.000 1.214 790 E HN 0.688 nan 8.360 nan 0.000 0.417 791 A N 4.896 127.894 122.820 0.296 0.000 2.374 791 A HA 0.700 5.026 4.320 0.009 0.000 0.317 791 A C -2.689 174.822 177.584 -0.122 0.000 1.094 791 A CA -1.931 50.184 52.037 0.130 0.000 0.765 791 A CB 1.241 20.245 19.000 0.005 0.000 1.268 791 A HN 0.480 nan 8.150 nan 0.000 0.438 792 P HA 0.067 nan 4.420 nan 0.000 0.265 792 P C 0.370 177.413 177.300 -0.428 0.000 1.193 792 P CA 0.091 62.607 63.100 -0.973 0.000 0.765 792 P CB 0.539 31.695 31.700 -0.907 0.000 0.823 793 K N 2.496 122.695 120.400 -0.335 0.000 2.089 793 K HA -0.270 4.056 4.320 0.009 0.000 0.210 793 K C 2.192 178.703 176.600 -0.148 0.000 1.048 793 K CA 2.299 58.488 56.287 -0.163 0.000 0.926 793 K CB -0.490 31.945 32.500 -0.108 0.000 0.714 793 K HN 0.565 nan 8.250 nan 0.000 0.448 794 E N 1.571 121.661 120.200 -0.182 0.000 2.204 794 E HA -0.174 4.182 4.350 0.009 0.000 0.195 794 E C 1.816 178.339 176.600 -0.128 0.000 0.990 794 E CA 1.423 57.740 56.400 -0.139 0.000 0.821 794 E CB -0.398 29.215 29.700 -0.145 0.000 0.750 794 E HN 0.411 nan 8.360 nan 0.000 0.477 795 R N -1.537 118.867 120.500 -0.161 0.000 2.365 795 R HA 0.455 4.801 4.340 0.009 0.000 0.223 795 R C 2.612 178.852 176.300 -0.100 0.000 0.899 795 R CA 0.583 56.605 56.100 -0.129 0.000 1.059 795 R CB 0.355 30.563 30.300 -0.152 0.000 1.086 795 R HN 0.359 nan 8.270 nan 0.000 0.522 796 A N 1.873 124.634 122.820 -0.098 0.000 1.915 796 A HA -0.274 4.051 4.320 0.009 0.000 0.220 796 A C 1.785 179.344 177.584 -0.041 0.000 1.198 796 A CA 1.708 53.711 52.037 -0.056 0.000 0.647 796 A CB -0.286 18.691 19.000 -0.038 0.000 0.825 796 A HN 0.193 nan 8.150 nan 0.000 0.456 797 E N -0.487 119.688 120.200 -0.042 0.000 2.023 797 E HA -0.197 4.159 4.350 0.009 0.000 0.196 797 E C 2.420 178.999 176.600 -0.035 0.000 1.003 797 E CA 1.417 57.797 56.400 -0.033 0.000 0.809 797 E CB -0.737 28.944 29.700 -0.032 0.000 0.755 797 E HN 0.611 nan 8.360 nan 0.000 0.449 798 A N 0.990 123.784 122.820 -0.043 0.000 2.024 798 A HA -0.129 4.197 4.320 0.009 0.000 0.220 798 A C 2.577 180.136 177.584 -0.042 0.000 1.164 798 A CA 1.385 53.396 52.037 -0.043 0.000 0.643 798 A CB -0.477 18.492 19.000 -0.051 0.000 0.806 798 A HN 0.131 nan 8.150 nan 0.000 0.451 799 V N -0.508 119.379 119.914 -0.045 0.000 2.407 799 V HA -0.148 3.977 4.120 0.009 0.000 0.245 799 V C 3.021 179.096 176.094 -0.031 0.000 1.041 799 V CA 1.619 63.895 62.300 -0.040 0.000 1.040 799 V CB -1.154 30.646 31.823 -0.038 0.000 0.671 799 V HN 0.593 nan 8.190 nan 0.000 0.455 800 A N 0.325 123.129 122.820 -0.027 0.000 1.883 800 A HA -0.289 4.036 4.320 0.009 0.000 0.217 800 A C 2.359 179.927 177.584 -0.027 0.000 1.186 800 A CA 2.323 54.346 52.037 -0.024 0.000 0.624 800 A CB -0.581 18.409 19.000 -0.018 0.000 0.822 800 A HN 0.478 nan 8.150 nan 0.000 0.444 801 R N -0.915 119.570 120.500 -0.025 0.000 2.083 801 R HA -0.142 4.203 4.340 0.009 0.000 0.237 801 R C 2.081 178.367 176.300 -0.023 0.000 1.137 801 R CA 1.800 57.886 56.100 -0.023 0.000 0.951 801 R CB -0.479 29.808 30.300 -0.022 0.000 0.851 801 R HN 0.462 nan 8.270 nan 0.000 0.434 802 L N 0.249 121.457 121.223 -0.025 0.000 2.017 802 L HA -0.045 4.301 4.340 0.009 0.000 0.208 802 L C 2.224 179.081 176.870 -0.021 0.000 1.073 802 L CA 2.190 57.017 54.840 -0.023 0.000 0.745 802 L CB -0.645 41.397 42.059 -0.029 0.000 0.894 802 L HN 0.273 nan 8.230 nan 0.000 0.432 803 A N -0.411 122.393 122.820 -0.026 0.000 1.877 803 A HA -0.280 4.046 4.320 0.009 0.000 0.216 803 A C 2.449 180.007 177.584 -0.045 0.000 1.186 803 A CA 2.014 54.034 52.037 -0.029 0.000 0.620 803 A CB -0.732 18.247 19.000 -0.034 0.000 0.822 803 A HN 0.515 nan 8.150 nan 0.000 0.443 804 K N -0.670 119.698 120.400 -0.053 0.000 2.113 804 K HA -0.252 4.074 4.320 0.009 0.000 0.208 804 K C 1.929 178.501 176.600 -0.046 0.000 1.047 804 K CA 1.892 58.137 56.287 -0.071 0.000 0.928 804 K CB -0.108 32.360 32.500 -0.052 0.000 0.716 804 K HN 0.381 nan 8.250 nan 0.000 0.446 805 E N 0.245 120.432 120.200 -0.021 0.000 2.028 805 E HA -0.101 4.255 4.350 0.009 0.000 0.190 805 E C 1.893 178.504 176.600 0.018 0.000 0.984 805 E CA 1.219 57.619 56.400 -0.001 0.000 0.800 805 E CB -0.189 29.511 29.700 -0.001 0.000 0.758 805 E HN 0.120 nan 8.360 nan 0.000 0.448 806 V N 0.803 120.728 119.914 0.019 0.000 2.324 806 V HA -0.341 3.784 4.120 0.009 0.000 0.250 806 V C 2.375 178.516 176.094 0.079 0.000 1.060 806 V CA 2.186 64.513 62.300 0.045 0.000 1.042 806 V CB -0.552 31.295 31.823 0.039 0.000 0.650 806 V HN 0.328 nan 8.190 nan 0.000 0.450 807 M N -0.662 118.967 119.600 0.049 0.000 2.132 807 M HA -0.160 4.326 4.480 0.009 0.000 0.263 807 M C 2.207 178.633 176.300 0.210 0.000 1.065 807 M CA 1.805 57.161 55.300 0.094 0.000 1.122 807 M CB -0.504 31.980 32.600 -0.195 0.000 1.365 807 M HN 0.377 nan 8.290 nan 0.000 0.411 808 E N -0.173 120.087 120.200 0.100 0.000 2.208 808 E HA -0.070 4.286 4.350 0.009 0.000 0.193 808 E C 1.808 178.481 176.600 0.121 0.000 0.988 808 E CA 0.999 57.481 56.400 0.137 0.000 0.828 808 E CB -0.163 29.571 29.700 0.057 0.000 0.763 808 E HN 0.585 nan 8.360 nan 0.000 0.478 809 G N 0.963 109.822 108.800 0.099 0.000 3.233 809 G HA2 0.005 3.970 3.960 0.009 0.000 0.234 809 G HA3 0.005 3.970 3.960 0.009 0.000 0.234 809 G C 1.331 176.297 174.900 0.111 0.000 1.137 809 G CA -0.170 44.977 45.100 0.079 0.000 0.763 809 G HN 0.133 nan 8.290 nan 0.000 0.549 810 V N -0.153 119.860 119.914 0.165 0.000 2.277 810 V HA -0.115 4.011 4.120 0.009 0.000 0.253 810 V C 0.531 176.806 176.094 0.301 0.000 1.067 810 V CA 1.728 64.159 62.300 0.218 0.000 1.047 810 V CB -0.186 31.783 31.823 0.242 0.000 0.649 810 V HN 0.394 nan 8.190 nan 0.000 0.447 811 Y N 0.245 120.601 120.300 0.092 0.000 2.301 811 Y HA 0.491 5.047 4.550 0.009 0.000 0.334 811 Y C -2.653 173.251 175.900 0.007 0.000 1.158 811 Y CA -2.530 55.626 58.100 0.093 0.000 1.266 811 Y CB 1.006 39.582 38.460 0.193 0.000 1.153 811 Y HN 0.191 nan 8.280 nan 0.000 0.453 812 P HA 0.119 nan 4.420 nan 0.000 0.263 812 P C -0.640 176.567 177.300 -0.154 0.000 1.175 812 P CA 0.820 63.840 63.100 -0.134 0.000 0.761 812 P CB 0.694 32.313 31.700 -0.135 0.000 0.794 813 L N 1.684 122.857 121.223 -0.083 0.000 2.216 813 L HA 0.613 4.958 4.340 0.009 0.000 0.260 813 L C 1.447 178.412 176.870 0.159 0.000 1.036 813 L CA -1.109 53.705 54.840 -0.043 0.000 0.914 813 L CB 0.583 42.503 42.059 -0.230 0.000 1.501 813 L HN 0.171 nan 8.230 nan 0.000 0.485 814 A N -0.106 122.964 122.820 0.416 0.000 2.239 814 A HA 0.303 4.628 4.320 0.009 0.000 0.209 814 A C 0.265 177.899 177.584 0.083 0.000 1.171 814 A CA 0.559 52.689 52.037 0.155 0.000 0.768 814 A CB -0.376 18.650 19.000 0.044 0.000 0.790 814 A HN 0.262 nan 8.150 nan 0.000 0.478 815 V N 0.953 120.902 119.914 0.058 0.000 2.888 815 V HA 0.346 4.471 4.120 0.009 0.000 0.309 815 V C -2.547 173.519 176.094 -0.047 0.000 1.114 815 V CA -1.799 60.500 62.300 -0.001 0.000 0.940 815 V CB 2.486 34.261 31.823 -0.079 0.000 1.021 815 V HN 0.216 nan 8.190 nan 0.000 0.426 816 P HA 0.268 nan 4.420 nan 0.000 0.272 816 P C -1.113 176.149 177.300 -0.064 0.000 1.223 816 P CA -0.171 62.915 63.100 -0.023 0.000 0.784 816 P CB 1.137 32.844 31.700 0.012 0.000 0.923 817 L N 2.380 123.597 121.223 -0.009 0.000 2.283 817 L HA 0.295 4.641 4.340 0.009 0.000 0.281 817 L C 0.933 177.869 176.870 0.109 0.000 1.033 817 L CA -0.372 54.492 54.840 0.040 0.000 0.848 817 L CB 0.536 42.663 42.059 0.113 0.000 1.226 817 L HN 0.290 nan 8.230 nan 0.000 0.429 818 E N 2.743 122.989 120.200 0.077 0.000 2.331 818 E HA 0.393 4.748 4.350 0.009 0.000 0.272 818 E C -0.881 175.760 176.600 0.069 0.000 1.036 818 E CA -0.514 55.927 56.400 0.069 0.000 0.864 818 E CB 2.696 32.434 29.700 0.065 0.000 1.035 818 E HN 0.193 nan 8.360 nan 0.000 0.408 819 V N 1.825 121.729 119.914 -0.016 0.000 2.409 819 V HA 0.243 4.368 4.120 0.009 0.000 0.290 819 V C 0.159 176.220 176.094 -0.055 0.000 1.017 819 V CA -0.661 61.571 62.300 -0.113 0.000 0.841 819 V CB 1.161 32.818 31.823 -0.277 0.000 1.003 819 V HN 0.802 nan 8.190 nan 0.000 0.426 820 E N 3.838 124.028 120.200 -0.017 0.000 2.290 820 E HA 0.565 4.920 4.350 0.009 0.000 0.277 820 E C -0.580 176.016 176.600 -0.008 0.000 1.035 820 E CA -0.169 56.236 56.400 0.008 0.000 0.873 820 E CB 1.499 31.223 29.700 0.040 0.000 1.029 820 E HN 0.599 nan 8.360 nan 0.000 0.419 821 V N 1.411 121.323 119.914 -0.004 0.000 2.604 821 V HA 0.903 5.028 4.120 0.009 0.000 0.305 821 V C 0.654 176.756 176.094 0.013 0.000 1.043 821 V CA -0.238 62.059 62.300 -0.005 0.000 0.888 821 V CB 2.058 33.870 31.823 -0.019 0.000 0.995 821 V HN 1.016 nan 8.190 nan 0.000 0.429 822 G N 3.286 112.100 108.800 0.025 0.000 2.612 822 G HA2 0.822 4.787 3.960 0.009 0.000 0.298 822 G HA3 0.822 4.787 3.960 0.009 0.000 0.298 822 G C -1.492 173.429 174.900 0.035 0.000 1.336 822 G CA -0.587 44.535 45.100 0.035 0.000 0.953 822 G HN 0.583 nan 8.290 nan 0.000 0.482 823 I N 0.561 121.151 120.570 0.033 0.000 2.545 823 I HA 0.787 4.963 4.170 0.009 0.000 0.292 823 I C 0.373 176.514 176.117 0.040 0.000 1.040 823 I CA -0.624 60.695 61.300 0.032 0.000 1.068 823 I CB 2.512 40.523 38.000 0.017 0.000 1.251 823 I HN 0.835 nan 8.210 nan 0.000 0.424 824 G N 3.507 112.337 108.800 0.049 0.000 2.466 824 G HA2 0.209 4.175 3.960 0.009 0.000 0.291 824 G HA3 0.209 4.175 3.960 0.009 0.000 0.291 824 G C -0.318 174.618 174.900 0.060 0.000 1.460 824 G CA -0.446 44.685 45.100 0.053 0.000 0.791 824 G HN 0.560 nan 8.290 nan 0.000 0.505 825 E N -0.720 119.512 120.200 0.053 0.000 2.427 825 E HA 0.029 4.384 4.350 0.009 0.000 0.196 825 E C 0.134 176.771 176.600 0.061 0.000 1.028 825 E CA 1.279 57.711 56.400 0.054 0.000 0.864 825 E CB 0.214 29.936 29.700 0.036 0.000 0.813 825 E HN 0.642 nan 8.360 nan 0.000 0.514 826 D N -2.822 117.627 120.400 0.083 0.000 2.581 826 D HA 0.016 4.662 4.640 0.009 0.000 0.232 826 D C 0.395 176.827 176.300 0.220 0.000 1.143 826 D CA -0.874 53.204 54.000 0.130 0.000 0.881 826 D CB 0.401 41.252 40.800 0.084 0.000 1.500 826 D HN -0.245 nan 8.370 nan 0.000 0.458 827 W N 1.557 122.901 121.300 0.072 0.000 2.321 827 W HA -0.174 4.491 4.660 0.009 0.000 0.306 827 W C 1.486 178.012 176.519 0.012 0.000 1.217 827 W CA 1.070 58.439 57.345 0.040 0.000 1.257 827 W CB -0.645 28.826 29.460 0.019 0.000 1.145 827 W HN 0.572 nan 8.180 nan 0.000 0.509 828 L N 0.866 122.214 121.223 0.209 0.000 2.017 828 L HA -0.195 4.151 4.340 0.009 0.000 0.208 828 L C 2.540 179.456 176.870 0.077 0.000 1.073 828 L CA 2.694 57.566 54.840 0.055 0.000 0.745 828 L CB -1.274 40.797 42.059 0.020 0.000 0.894 828 L HN -0.204 nan 8.230 nan 0.000 0.432 829 S N -0.381 115.374 115.700 0.092 0.000 2.399 829 S HA -0.099 4.377 4.470 0.009 0.000 0.231 829 S C 2.043 176.693 174.600 0.084 0.000 1.022 829 S CA 0.891 59.134 58.200 0.071 0.000 0.983 829 S CB -0.486 62.749 63.200 0.059 0.000 0.803 829 S HN 0.666 nan 8.310 nan 0.000 0.480 830 A N 2.066 124.963 122.820 0.128 0.000 1.845 830 A HA -0.044 4.282 4.320 0.009 0.000 0.215 830 A C 1.401 179.054 177.584 0.116 0.000 1.195 830 A CA 1.012 53.124 52.037 0.124 0.000 0.616 830 A CB -0.236 18.861 19.000 0.161 0.000 0.832 830 A HN 0.265 nan 8.150 nan 0.000 0.443 831 K N 0.000 120.490 120.400 0.150 0.000 2.780 831 K HA 0.000 4.326 4.320 0.009 0.000 0.191 831 K CA 0.000 56.348 56.287 0.102 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