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 1qtm_1_A DATA FIRST_RESID 293 DATA SEQUENCE ALEEAPWPPP EGAFVGFVLS RKEPMWADLL ALAAARGGRV HRAPEPYKAL DATA SEQUENCE RDLKEARGLL AKDLSVLALR EGLGLPPGDD PMLLAYLLDP SNTTPEGVAR DATA SEQUENCE RYGGEWTEEA GERAALSERL FANLWGRLEG EERLLWLYRE VERPLSAVLA DATA SEQUENCE HMEATGVRLD VAYLRALSLE VAEEIARLEA EVFRLAGHPF NLNSRDQLER DATA SEQUENCE VLFDELGLPA IGKTEKTGKR STSAAVLEAL REAHPIVEKI LQYRELTKLK DATA SEQUENCE STYIDPLPDL IHPRTGRLHT RFNQTATATG RLSSSDPNLQ NIPVRTPLGQ DATA SEQUENCE RIRRAFIAEE GWLLVALDYS QIELRVLAHL SGDENLIRVF QEGRDIHTET DATA SEQUENCE ASWMFGVPRE AVDPLMRRAA KTINFGVLYG MSAHRLSQEL AIPYEEAQAF DATA SEQUENCE IERYFQSFPK VRAWIEKTLE EGRRRGYVET LFGRRRYVPD LEARVKSVRE DATA SEQUENCE AAERMAFNMP VQGTAADLMK LAMVKLFPRL EEMGARMLLQ VHDELVLEAP DATA SEQUENCE KERAEAVARL AKEVMEGVYP LAVPLEVEVG IGEDWLSAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 293 A HA 0.000 nan 4.320 nan 0.000 0.244 293 A C 0.000 177.593 177.584 0.015 0.000 1.274 293 A CA 0.000 52.045 52.037 0.013 0.000 0.836 293 A CB 0.000 19.009 19.000 0.014 0.000 0.831 294 L N -1.014 120.217 121.223 0.012 0.000 4.306 294 L HA 0.563 4.907 4.340 0.007 0.000 0.236 294 L C -0.327 176.544 176.870 0.002 0.000 1.058 294 L CA 0.706 55.554 54.840 0.013 0.000 1.406 294 L CB -0.214 41.856 42.059 0.018 0.000 1.921 294 L HN 0.671 nan 8.230 nan 0.000 0.720 295 E N 2.744 122.940 120.200 -0.007 0.000 2.602 295 E HA 0.736 5.090 4.350 0.007 0.000 0.255 295 E C -0.635 175.936 176.600 -0.048 0.000 1.268 295 E CA -0.056 56.331 56.400 -0.023 0.000 1.007 295 E CB 0.726 30.412 29.700 -0.024 0.000 1.208 295 E HN 0.684 nan 8.360 nan 0.000 0.584 296 E N -1.270 118.891 120.200 -0.065 0.000 2.248 296 E HA 0.624 4.978 4.350 0.007 0.000 0.267 296 E C -1.012 175.499 176.600 -0.148 0.000 0.877 296 E CA -0.882 55.457 56.400 -0.101 0.000 0.759 296 E CB 2.123 31.793 29.700 -0.050 0.000 1.182 296 E HN 0.720 nan 8.360 nan 0.000 0.418 297 A N 3.225 125.868 122.820 -0.295 0.000 2.423 297 A HA 0.726 5.050 4.320 0.007 0.000 0.304 297 A C -2.639 174.878 177.584 -0.112 0.000 1.104 297 A CA -1.839 50.036 52.037 -0.271 0.000 0.757 297 A CB 0.936 19.662 19.000 -0.457 0.000 1.313 297 A HN 0.357 nan 8.150 nan 0.000 0.423 298 P HA -0.046 nan 4.420 nan 0.000 0.265 298 P C 1.029 178.510 177.300 0.301 0.000 1.193 298 P CA -0.145 63.041 63.100 0.144 0.000 0.765 298 P CB 0.358 32.119 31.700 0.102 0.000 0.823 299 W N 5.286 126.656 121.300 0.117 0.000 2.284 299 W HA -0.246 4.418 4.660 0.007 0.000 0.355 299 W C -1.503 175.093 176.519 0.128 0.000 1.501 299 W CA 0.676 58.099 57.345 0.130 0.000 1.448 299 W CB -2.181 27.316 29.460 0.061 0.000 1.045 299 W HN 0.365 nan 8.180 nan 0.000 0.470 300 P HA -0.095 nan 4.420 nan 0.000 0.220 300 P C -2.229 174.671 177.300 -0.668 0.000 1.000 300 P CA 0.318 62.983 63.100 -0.725 0.000 1.063 300 P CB -0.134 31.377 31.700 -0.315 0.000 1.023 301 P HA 0.220 nan 4.420 nan 0.000 0.282 301 P C -2.331 174.594 177.300 -0.626 0.000 1.249 301 P CA -1.928 60.522 63.100 -1.083 0.000 0.806 301 P CB 0.295 31.468 31.700 -0.879 0.000 0.984 302 P HA 0.109 nan 4.420 nan 0.000 0.272 302 P C 0.209 177.359 177.300 -0.250 0.000 1.240 302 P CA 0.199 63.140 63.100 -0.266 0.000 0.791 302 P CB 0.143 31.745 31.700 -0.163 0.000 0.978 303 E N -0.320 119.763 120.200 -0.196 0.000 2.418 303 E HA 0.350 4.704 4.350 0.007 0.000 0.261 303 E C 1.326 177.809 176.600 -0.195 0.000 1.070 303 E CA 0.124 56.413 56.400 -0.185 0.000 0.931 303 E CB -0.926 28.686 29.700 -0.146 0.000 0.954 303 E HN 0.894 nan 8.360 nan 0.000 0.439 304 G N -0.730 107.933 108.800 -0.229 0.000 2.179 304 G HA2 0.121 4.085 3.960 0.007 0.000 0.260 304 G HA3 0.121 4.085 3.960 0.007 0.000 0.260 304 G C 0.732 175.380 174.900 -0.420 0.000 0.977 304 G CA 0.777 45.695 45.100 -0.304 0.000 0.641 304 G HN 1.964 nan 8.290 nan 0.000 0.533 305 A N -0.440 122.190 122.820 -0.317 0.000 2.366 305 A HA 0.718 5.042 4.320 0.007 0.000 0.249 305 A C 0.012 177.399 177.584 -0.329 0.000 1.084 305 A CA -0.103 51.783 52.037 -0.251 0.000 0.794 305 A CB 0.290 19.208 19.000 -0.137 0.000 1.034 305 A HN 0.655 nan 8.150 nan 0.000 0.491 306 F N 0.761 120.701 119.950 -0.017 0.000 2.404 306 F HA 0.437 4.968 4.527 0.007 0.000 0.345 306 F C 0.568 176.416 175.800 0.080 0.000 1.110 306 F CA -0.337 57.668 58.000 0.009 0.000 1.130 306 F CB 1.188 40.201 39.000 0.021 0.000 1.129 306 F HN 0.272 nan 8.300 nan 0.000 0.500 307 V N 1.717 121.782 119.914 0.253 0.000 3.036 307 V HA 0.802 4.926 4.120 0.007 0.000 0.308 307 V C 0.436 176.736 176.094 0.345 0.000 1.070 307 V CA -0.633 61.827 62.300 0.267 0.000 1.056 307 V CB 1.445 33.387 31.823 0.198 0.000 1.084 307 V HN 0.924 nan 8.190 nan 0.000 0.471 308 G N 1.687 110.694 108.800 0.346 0.000 2.740 308 G HA2 0.742 4.706 3.960 0.007 0.000 0.296 308 G HA3 0.742 4.706 3.960 0.007 0.000 0.296 308 G C -1.480 173.613 174.900 0.322 0.000 1.439 308 G CA -0.435 44.830 45.100 0.275 0.000 1.066 308 G HN 0.750 nan 8.290 nan 0.000 0.527 309 F N -0.021 119.932 119.950 0.005 0.000 2.686 309 F HA 0.841 5.372 4.527 0.007 0.000 0.311 309 F C -1.320 174.446 175.800 -0.057 0.000 1.128 309 F CA -1.841 56.133 58.000 -0.043 0.000 0.946 309 F CB 1.493 40.472 39.000 -0.034 0.000 1.336 309 F HN 0.424 nan 8.300 nan 0.000 0.457 310 V N 2.688 122.594 119.914 -0.014 0.000 2.638 310 V HA 0.597 4.721 4.120 0.007 0.000 0.306 310 V C -0.510 175.599 176.094 0.026 0.000 1.052 310 V CA -0.738 61.507 62.300 -0.093 0.000 0.885 310 V CB 1.725 33.473 31.823 -0.125 0.000 0.999 310 V HN 0.788 nan 8.190 nan 0.000 0.424 311 L N 2.825 124.075 121.223 0.044 0.000 2.334 311 L HA 0.464 4.808 4.340 0.007 0.000 0.273 311 L C 1.542 178.449 176.870 0.063 0.000 1.013 311 L CA -0.470 54.425 54.840 0.092 0.000 0.816 311 L CB 2.159 44.312 42.059 0.157 0.000 1.278 311 L HN 0.799 nan 8.230 nan 0.000 0.431 312 S N 1.291 117.035 115.700 0.075 0.000 2.419 312 S HA -0.072 4.402 4.470 0.007 0.000 0.233 312 S C 0.662 175.303 174.600 0.068 0.000 1.016 312 S CA 0.422 58.661 58.200 0.064 0.000 0.974 312 S CB -0.173 63.075 63.200 0.080 0.000 0.786 312 S HN 0.795 nan 8.310 nan 0.000 0.492 313 R N -0.122 120.434 120.500 0.094 0.000 2.781 313 R HA 0.464 4.808 4.340 0.007 0.000 0.269 313 R C 0.273 176.643 176.300 0.117 0.000 1.025 313 R CA -0.989 55.167 56.100 0.093 0.000 0.914 313 R CB 0.640 30.996 30.300 0.095 0.000 1.236 313 R HN -0.001 nan 8.270 nan 0.000 0.465 314 K N 0.354 120.817 120.400 0.105 0.000 2.365 314 K HA -0.017 4.307 4.320 0.007 0.000 0.199 314 K C -0.647 176.037 176.600 0.140 0.000 1.045 314 K CA 1.050 57.407 56.287 0.117 0.000 0.962 314 K CB 0.075 32.629 32.500 0.089 0.000 0.759 314 K HN 0.613 nan 8.250 nan 0.000 0.469 315 E N 2.565 122.865 120.200 0.166 0.000 2.129 315 E HA 0.130 4.484 4.350 0.007 0.000 0.283 315 E C -2.078 174.662 176.600 0.233 0.000 1.080 315 E CA -2.076 54.459 56.400 0.226 0.000 0.867 315 E CB 1.476 31.382 29.700 0.344 0.000 1.056 315 E HN 0.022 nan 8.360 nan 0.000 0.404 316 P HA -0.205 nan 4.420 nan 0.000 0.216 316 P C 0.970 178.312 177.300 0.071 0.000 1.150 316 P CA 1.192 64.367 63.100 0.125 0.000 0.843 316 P CB 0.199 31.954 31.700 0.091 0.000 0.787 317 M N -3.426 116.198 119.600 0.040 0.000 2.394 317 M HA -0.039 4.446 4.480 0.007 0.000 0.264 317 M C 0.948 177.112 176.300 -0.226 0.000 1.073 317 M CA 1.370 56.556 55.300 -0.189 0.000 1.111 317 M CB -1.114 31.265 32.600 -0.367 0.000 1.401 317 M HN 0.110 nan 8.290 nan 0.000 0.448 318 W N -0.331 121.037 121.300 0.113 0.000 2.998 318 W HA 0.456 5.120 4.660 0.007 0.000 0.336 318 W C 0.920 177.487 176.519 0.080 0.000 1.112 318 W CA -0.336 57.068 57.345 0.097 0.000 1.682 318 W CB -0.152 29.344 29.460 0.060 0.000 1.065 318 W HN -0.047 nan 8.180 nan 0.000 0.570 319 A N 1.201 124.181 122.820 0.268 0.000 2.386 319 A HA 0.277 4.601 4.320 0.007 0.000 0.248 319 A C -0.431 177.264 177.584 0.186 0.000 1.082 319 A CA 0.110 52.269 52.037 0.203 0.000 0.789 319 A CB 0.168 19.275 19.000 0.179 0.000 1.025 319 A HN 0.033 nan 8.150 nan 0.000 0.490 320 D N 1.331 121.834 120.400 0.172 0.000 2.233 320 D HA 0.257 4.901 4.640 0.007 0.000 0.240 320 D C -0.613 175.759 176.300 0.121 0.000 1.074 320 D CA -0.248 53.878 54.000 0.210 0.000 0.838 320 D CB 0.854 41.755 40.800 0.168 0.000 1.124 320 D HN 0.402 nan 8.370 nan 0.000 0.475 321 L N 5.972 127.201 121.223 0.010 0.000 2.454 321 L HA 0.105 4.450 4.340 0.007 0.000 0.284 321 L C 1.093 177.818 176.870 -0.242 0.000 1.139 321 L CA -0.286 54.397 54.840 -0.260 0.000 0.911 321 L CB 0.270 41.882 42.059 -0.746 0.000 1.262 321 L HN 0.569 nan 8.230 nan 0.000 0.453 322 L N 4.816 125.987 121.223 -0.086 0.000 2.109 322 L HA 0.110 4.454 4.340 0.007 0.000 0.207 322 L C 0.861 177.672 176.870 -0.100 0.000 1.086 322 L CA 0.672 55.475 54.840 -0.063 0.000 0.760 322 L CB -0.219 41.821 42.059 -0.030 0.000 0.910 322 L HN 0.717 nan 8.230 nan 0.000 0.437 323 A N -0.673 122.083 122.820 -0.107 0.000 2.612 323 A HA 0.704 5.029 4.320 0.007 0.000 0.293 323 A C -1.639 175.885 177.584 -0.099 0.000 1.075 323 A CA -0.354 51.612 52.037 -0.118 0.000 0.680 323 A CB 1.838 20.782 19.000 -0.093 0.000 1.279 323 A HN -0.021 nan 8.150 nan 0.000 0.411 324 L N 0.412 121.546 121.223 -0.149 0.000 2.513 324 L HA 0.823 5.167 4.340 0.007 0.000 0.261 324 L C -0.454 176.319 176.870 -0.162 0.000 0.945 324 L CA -0.332 54.433 54.840 -0.124 0.000 0.848 324 L CB 1.926 43.841 42.059 -0.240 0.000 1.334 324 L HN 1.492 nan 8.230 nan 0.000 0.407 325 A N 3.155 125.982 122.820 0.011 0.000 2.533 325 A HA 1.039 5.363 4.320 0.007 0.000 0.293 325 A C -1.688 176.076 177.584 0.300 0.000 1.228 325 A CA -0.012 52.105 52.037 0.134 0.000 0.689 325 A CB 1.866 20.934 19.000 0.112 0.000 1.303 325 A HN 1.124 nan 8.150 nan 0.000 0.444 326 A N -1.277 121.769 122.820 0.377 0.000 2.594 326 A HA 0.922 5.246 4.320 0.007 0.000 0.295 326 A C -0.698 177.075 177.584 0.314 0.000 1.071 326 A CA 0.094 52.322 52.037 0.318 0.000 0.685 326 A CB 1.172 20.329 19.000 0.262 0.000 1.285 326 A HN 2.541 nan 8.150 nan 0.000 0.405 327 A N 1.417 124.402 122.820 0.276 0.000 2.398 327 A HA 0.909 5.234 4.320 0.007 0.000 0.301 327 A C -0.546 177.205 177.584 0.278 0.000 1.041 327 A CA -0.555 51.646 52.037 0.275 0.000 0.711 327 A CB 1.400 20.530 19.000 0.217 0.000 1.240 327 A HN 0.823 nan 8.150 nan 0.000 0.420 328 R N 1.032 121.674 120.500 0.237 0.000 2.604 328 R HA 0.567 4.911 4.340 0.007 0.000 0.270 328 R C 0.846 177.239 176.300 0.156 0.000 1.052 328 R CA 0.624 56.838 56.100 0.191 0.000 0.902 328 R CB 1.569 31.922 30.300 0.089 0.000 1.233 328 R HN 2.067 nan 8.270 nan 0.000 0.455 329 G N 1.839 110.718 108.800 0.132 0.000 5.266 329 G HA2 -0.380 3.584 3.960 0.007 0.000 0.262 329 G HA3 -0.380 3.584 3.960 0.007 0.000 0.262 329 G C 0.531 175.483 174.900 0.086 0.000 1.359 329 G CA 0.842 46.000 45.100 0.097 0.000 0.955 329 G HN 1.280 nan 8.290 nan 0.000 0.754 330 G N -0.234 108.616 108.800 0.083 0.000 4.657 330 G HA2 0.580 4.544 3.960 0.007 0.000 0.213 330 G HA3 0.580 4.544 3.960 0.007 0.000 0.213 330 G C 0.006 174.937 174.900 0.052 0.000 0.912 330 G CA 1.004 46.141 45.100 0.062 0.000 0.815 330 G HN 1.267 nan 8.290 nan 0.000 0.384 331 R N -1.022 119.520 120.500 0.070 0.000 2.869 331 R HA 0.885 5.229 4.340 0.007 0.000 0.263 331 R C -1.814 174.525 176.300 0.066 0.000 1.066 331 R CA -0.838 55.277 56.100 0.026 0.000 0.960 331 R CB 1.873 32.153 30.300 -0.035 0.000 1.221 331 R HN -0.018 nan 8.270 nan 0.000 0.474 332 V N 0.929 120.835 119.914 -0.014 0.000 2.709 332 V HA 0.377 4.501 4.120 0.007 0.000 0.308 332 V C -1.362 174.720 176.094 -0.020 0.000 1.062 332 V CA -0.932 61.420 62.300 0.087 0.000 0.901 332 V CB 1.790 33.664 31.823 0.084 0.000 1.003 332 V HN 0.751 nan 8.190 nan 0.000 0.425 333 H N 2.959 122.127 119.070 0.162 0.000 2.481 333 H HA 0.673 5.233 4.556 0.007 0.000 0.333 333 H C -0.240 175.279 175.328 0.318 0.000 1.066 333 H CA -0.533 55.663 56.048 0.247 0.000 1.209 333 H CB 1.084 31.009 29.762 0.272 0.000 1.445 333 H HN 0.436 nan 8.280 nan 0.000 0.488 334 R N 1.681 122.368 120.500 0.311 0.000 2.460 334 R HA 0.705 5.049 4.340 0.007 0.000 0.303 334 R C -0.622 175.690 176.300 0.020 0.000 0.968 334 R CA -1.077 55.097 56.100 0.123 0.000 0.889 334 R CB 1.876 32.200 30.300 0.040 0.000 1.123 334 R HN 0.685 nan 8.270 nan 0.000 0.455 335 A N 4.652 127.255 122.820 -0.361 0.000 2.276 335 A HA 0.305 4.629 4.320 0.007 0.000 0.300 335 A C -1.424 175.953 177.584 -0.344 0.000 1.235 335 A CA -1.429 50.188 52.037 -0.700 0.000 0.867 335 A CB 0.365 18.533 19.000 -1.385 0.000 1.137 335 A HN 0.593 nan 8.150 nan 0.000 0.527 336 P HA -0.129 nan 4.420 nan 0.000 0.216 336 P C 0.038 177.268 177.300 -0.116 0.000 1.153 336 P CA 1.257 64.295 63.100 -0.103 0.000 0.848 336 P CB 0.315 31.994 31.700 -0.035 0.000 0.787 337 E N 0.382 120.494 120.200 -0.147 0.000 2.346 337 E HA 0.163 4.517 4.350 0.007 0.000 0.239 337 E C -1.773 174.724 176.600 -0.171 0.000 0.943 337 E CA -2.166 54.175 56.400 -0.099 0.000 0.751 337 E CB 1.436 31.120 29.700 -0.027 0.000 1.241 337 E HN 0.177 nan 8.360 nan 0.000 0.423 338 P HA -0.271 nan 4.420 nan 0.000 0.216 338 P C 0.963 178.109 177.300 -0.257 0.000 1.167 338 P CA 1.639 64.545 63.100 -0.324 0.000 0.914 338 P CB 0.080 31.564 31.700 -0.361 0.000 0.793 339 Y N 0.767 121.011 120.300 -0.094 0.000 2.128 339 Y HA -0.191 4.363 4.550 0.007 0.000 0.284 339 Y C 2.953 178.824 175.900 -0.049 0.000 1.154 339 Y CA 1.758 59.821 58.100 -0.062 0.000 1.149 339 Y CB -1.132 37.302 38.460 -0.043 0.000 0.976 339 Y HN -0.034 nan 8.280 nan 0.000 0.505 340 K N 0.611 121.078 120.400 0.111 0.000 2.063 340 K HA -0.209 4.115 4.320 0.007 0.000 0.208 340 K C 2.218 178.862 176.600 0.073 0.000 1.048 340 K CA 1.361 57.693 56.287 0.074 0.000 0.928 340 K CB -0.389 32.143 32.500 0.054 0.000 0.713 340 K HN 0.299 nan 8.250 nan 0.000 0.442 341 A N 1.769 124.575 122.820 -0.025 0.000 1.972 341 A HA -0.116 4.208 4.320 0.007 0.000 0.219 341 A C 2.238 179.932 177.584 0.182 0.000 1.169 341 A CA 1.156 53.209 52.037 0.027 0.000 0.635 341 A CB -0.550 18.037 19.000 -0.689 0.000 0.810 341 A HN 0.356 nan 8.150 nan 0.000 0.446 342 L N -1.234 120.015 121.223 0.044 0.000 2.081 342 L HA -0.270 4.075 4.340 0.007 0.000 0.212 342 L C 2.785 179.706 176.870 0.085 0.000 1.080 342 L CA 1.626 56.495 54.840 0.048 0.000 0.754 342 L CB -0.399 41.658 42.059 -0.003 0.000 0.893 342 L HN 0.271 nan 8.230 nan 0.000 0.433 343 R N 0.120 120.675 120.500 0.093 0.000 2.127 343 R HA -0.156 4.188 4.340 0.007 0.000 0.238 343 R C 1.835 178.181 176.300 0.078 0.000 1.134 343 R CA 1.260 57.404 56.100 0.075 0.000 0.975 343 R CB -0.654 29.688 30.300 0.071 0.000 0.865 343 R HN 0.421 nan 8.270 nan 0.000 0.447 344 D N 0.051 120.533 120.400 0.138 0.000 2.149 344 D HA -0.051 4.593 4.640 0.007 0.000 0.201 344 D C 0.554 176.859 176.300 0.008 0.000 0.972 344 D CA 0.542 54.587 54.000 0.074 0.000 0.835 344 D CB -0.026 40.829 40.800 0.091 0.000 0.966 344 D HN 0.169 nan 8.370 nan 0.000 0.476 345 L N 0.271 121.526 121.223 0.054 0.000 2.483 345 L HA 0.148 4.492 4.340 0.007 0.000 0.275 345 L C 1.751 178.600 176.870 -0.034 0.000 1.220 345 L CA 0.220 55.057 54.840 -0.005 0.000 0.833 345 L CB 0.394 42.472 42.059 0.031 0.000 1.102 345 L HN -0.071 nan 8.230 nan 0.000 0.490 346 K N 1.653 122.015 120.400 -0.064 0.000 2.425 346 K HA 0.269 4.593 4.320 0.007 0.000 0.201 346 K C 0.387 176.945 176.600 -0.070 0.000 1.128 346 K CA 0.293 56.543 56.287 -0.063 0.000 1.000 346 K CB 0.710 33.165 32.500 -0.075 0.000 0.961 346 K HN 0.783 nan 8.250 nan 0.000 0.555 347 E N -1.289 118.860 120.200 -0.085 0.000 2.390 347 E HA 0.626 4.980 4.350 0.007 0.000 0.280 347 E C -1.945 174.595 176.600 -0.099 0.000 0.992 347 E CA -0.648 55.694 56.400 -0.097 0.000 0.790 347 E CB 2.161 31.789 29.700 -0.121 0.000 1.248 347 E HN 0.216 nan 8.360 nan 0.000 0.447 348 A N 3.713 126.476 122.820 -0.095 0.000 2.277 348 A HA 0.569 4.893 4.320 0.007 0.000 0.318 348 A C -0.714 176.835 177.584 -0.059 0.000 1.339 348 A CA -0.547 51.445 52.037 -0.075 0.000 0.875 348 A CB 0.343 19.287 19.000 -0.094 0.000 1.158 348 A HN 0.469 nan 8.150 nan 0.000 0.514 349 R N 1.968 122.426 120.500 -0.069 0.000 2.343 349 R HA 0.714 5.059 4.340 0.007 0.000 0.320 349 R C 0.229 176.631 176.300 0.169 0.000 0.956 349 R CA 0.102 56.157 56.100 -0.075 0.000 0.836 349 R CB 1.929 31.977 30.300 -0.419 0.000 1.151 349 R HN 1.196 nan 8.270 nan 0.000 0.450 350 G N 1.615 110.568 108.800 0.254 0.000 2.369 350 G HA2 -0.005 3.960 3.960 0.007 0.000 0.295 350 G HA3 -0.005 3.960 3.960 0.007 0.000 0.295 350 G C -1.514 173.554 174.900 0.280 0.000 1.298 350 G CA -1.231 44.070 45.100 0.335 0.000 0.940 350 G HN 0.225 nan 8.290 nan 0.000 0.536 351 L N 1.255 122.638 121.223 0.266 0.000 2.578 351 L HA 0.203 4.547 4.340 0.007 0.000 0.279 351 L C 1.731 178.752 176.870 0.253 0.000 1.227 351 L CA 0.821 55.779 54.840 0.197 0.000 0.900 351 L CB -0.442 41.710 42.059 0.156 0.000 1.144 351 L HN 0.980 nan 8.230 nan 0.000 0.496 352 L N 2.113 123.442 121.223 0.176 0.000 3.634 352 L HA -0.321 4.023 4.340 0.007 0.000 0.423 352 L C 1.707 178.775 176.870 0.329 0.000 1.253 352 L CA 0.399 55.378 54.840 0.231 0.000 0.885 352 L CB -1.633 40.576 42.059 0.250 0.000 1.789 352 L HN 0.831 nan 8.230 nan 0.000 0.904 353 A N 0.288 123.240 122.820 0.219 0.000 1.908 353 A HA -0.240 4.085 4.320 0.007 0.000 0.218 353 A C 2.257 179.860 177.584 0.032 0.000 1.181 353 A CA 2.134 54.244 52.037 0.121 0.000 0.627 353 A CB -0.287 18.759 19.000 0.077 0.000 0.818 353 A HN 0.627 nan 8.150 nan 0.000 0.445 354 K N -0.602 119.823 120.400 0.041 0.000 2.103 354 K HA -0.242 4.082 4.320 0.007 0.000 0.207 354 K C 1.266 177.866 176.600 -0.001 0.000 1.048 354 K CA 1.901 58.186 56.287 -0.004 0.000 0.930 354 K CB -0.296 32.210 32.500 0.010 0.000 0.716 354 K HN 0.404 nan 8.250 nan 0.000 0.444 355 D N 0.903 121.347 120.400 0.072 0.000 2.097 355 D HA -0.162 4.482 4.640 0.007 0.000 0.197 355 D C 1.849 178.142 176.300 -0.011 0.000 0.984 355 D CA 0.773 54.831 54.000 0.096 0.000 0.826 355 D CB -0.207 40.734 40.800 0.235 0.000 0.973 355 D HN 0.169 nan 8.370 nan 0.000 0.460 356 L N 0.421 121.526 121.223 -0.197 0.000 2.141 356 L HA -0.083 4.262 4.340 0.007 0.000 0.209 356 L C 2.170 178.870 176.870 -0.283 0.000 1.094 356 L CA 1.446 55.967 54.840 -0.532 0.000 0.763 356 L CB -0.698 40.644 42.059 -1.196 0.000 0.908 356 L HN -0.101 nan 8.230 nan 0.000 0.437 357 S N -1.536 114.044 115.700 -0.200 0.000 2.382 357 S HA -0.135 4.339 4.470 0.007 0.000 0.228 357 S C 1.941 176.452 174.600 -0.148 0.000 1.027 357 S CA 1.415 59.518 58.200 -0.163 0.000 0.991 357 S CB -0.341 62.770 63.200 -0.148 0.000 0.823 357 S HN 0.314 nan 8.310 nan 0.000 0.469 358 V N 1.992 121.838 119.914 -0.113 0.000 2.270 358 V HA -0.110 4.014 4.120 0.007 0.000 0.245 358 V C 2.404 178.442 176.094 -0.094 0.000 1.043 358 V CA 1.959 64.204 62.300 -0.091 0.000 1.014 358 V CB -0.688 31.114 31.823 -0.033 0.000 0.645 358 V HN 0.578 nan 8.190 nan 0.000 0.447 359 L N 0.030 121.205 121.223 -0.079 0.000 2.131 359 L HA -0.160 4.184 4.340 0.007 0.000 0.210 359 L C 2.461 179.293 176.870 -0.064 0.000 1.092 359 L CA 1.724 56.527 54.840 -0.061 0.000 0.759 359 L CB -0.457 41.581 42.059 -0.035 0.000 0.903 359 L HN 0.331 nan 8.230 nan 0.000 0.435 360 A N 0.126 122.891 122.820 -0.092 0.000 1.877 360 A HA -0.186 4.138 4.320 0.007 0.000 0.216 360 A C 2.143 179.690 177.584 -0.063 0.000 1.186 360 A CA 1.717 53.710 52.037 -0.073 0.000 0.620 360 A CB -0.842 18.100 19.000 -0.097 0.000 0.822 360 A HN 0.483 nan 8.150 nan 0.000 0.443 361 L N -0.938 120.234 121.223 -0.085 0.000 2.079 361 L HA -0.206 4.138 4.340 0.007 0.000 0.210 361 L C 2.768 179.594 176.870 -0.073 0.000 1.081 361 L CA 1.745 56.544 54.840 -0.069 0.000 0.752 361 L CB -0.513 41.492 42.059 -0.091 0.000 0.896 361 L HN 0.470 nan 8.230 nan 0.000 0.433 362 R N 0.313 120.749 120.500 -0.107 0.000 2.159 362 R HA -0.156 4.188 4.340 0.007 0.000 0.237 362 R C 1.274 177.510 176.300 -0.106 0.000 1.131 362 R CA 1.172 57.179 56.100 -0.156 0.000 0.982 362 R CB 0.110 30.294 30.300 -0.193 0.000 0.868 362 R HN 0.337 nan 8.270 nan 0.000 0.453 363 E N -1.058 119.108 120.200 -0.056 0.000 2.444 363 E HA 0.107 4.461 4.350 0.007 0.000 0.191 363 E C 0.733 177.318 176.600 -0.026 0.000 1.041 363 E CA 0.593 56.973 56.400 -0.033 0.000 0.883 363 E CB 1.152 30.859 29.700 0.012 0.000 1.024 363 E HN 0.583 nan 8.360 nan 0.000 0.470 364 G N 0.853 109.636 108.800 -0.028 0.000 2.175 364 G HA2 -0.253 3.711 3.960 0.007 0.000 0.244 364 G HA3 -0.253 3.711 3.960 0.007 0.000 0.244 364 G C 0.121 175.021 174.900 -0.001 0.000 0.982 364 G CA 0.065 45.158 45.100 -0.013 0.000 0.641 364 G HN 0.144 nan 8.290 nan 0.000 0.527 365 L N 0.026 121.246 121.223 -0.005 0.000 2.431 365 L HA 0.751 5.095 4.340 0.007 0.000 0.260 365 L C 1.490 178.362 176.870 0.004 0.000 1.098 365 L CA 0.615 55.454 54.840 -0.001 0.000 0.800 365 L CB 1.282 43.337 42.059 -0.007 0.000 1.210 365 L HN 0.222 nan 8.230 nan 0.000 0.465 366 G N 0.436 109.241 108.800 0.008 0.000 4.144 366 G HA2 0.226 4.191 3.960 0.007 0.000 0.297 366 G HA3 0.226 4.191 3.960 0.007 0.000 0.297 366 G C -0.319 174.579 174.900 -0.004 0.000 1.090 366 G CA -0.199 44.917 45.100 0.027 0.000 0.870 366 G HN 0.353 nan 8.290 nan 0.000 0.532 367 L N 3.435 124.637 121.223 -0.035 0.000 2.678 367 L HA 0.273 4.618 4.340 0.007 0.000 0.276 367 L C -1.788 175.036 176.870 -0.078 0.000 1.142 367 L CA -1.895 52.912 54.840 -0.055 0.000 0.961 367 L CB -0.013 42.005 42.059 -0.069 0.000 1.291 367 L HN 0.005 nan 8.230 nan 0.000 0.476 368 P HA 0.303 nan 4.420 nan 0.000 0.282 368 P C -2.870 174.380 177.300 -0.084 0.000 1.249 368 P CA -1.817 61.241 63.100 -0.070 0.000 0.806 368 P CB 0.752 32.437 31.700 -0.025 0.000 0.984 369 P HA 0.182 nan 4.420 nan 0.000 0.280 369 P C 0.090 177.348 177.300 -0.070 0.000 1.244 369 P CA 0.316 63.371 63.100 -0.075 0.000 0.784 369 P CB 1.227 32.887 31.700 -0.067 0.000 0.913 370 G N 2.181 110.940 108.800 -0.067 0.000 3.175 370 G HA2 0.214 4.178 3.960 0.007 0.000 0.153 370 G HA3 0.214 4.178 3.960 0.007 0.000 0.153 370 G C -0.566 174.312 174.900 -0.037 0.000 1.216 370 G CA -0.451 44.599 45.100 -0.084 0.000 0.943 370 G HN 0.391 nan 8.290 nan 0.000 0.611 371 D N 0.852 121.216 120.400 -0.061 0.000 2.506 371 D HA 0.246 4.890 4.640 0.007 0.000 0.234 371 D C -0.862 175.529 176.300 0.151 0.000 1.143 371 D CA 1.011 55.056 54.000 0.075 0.000 0.871 371 D CB 1.322 41.953 40.800 -0.281 0.000 1.190 371 D HN 0.251 nan 8.370 nan 0.000 0.459 372 D N 1.413 122.019 120.400 0.344 0.000 2.616 372 D HA 0.139 4.783 4.640 0.007 0.000 0.238 372 D C -2.036 174.480 176.300 0.359 0.000 1.354 372 D CA -1.753 52.426 54.000 0.299 0.000 0.970 372 D CB 2.061 42.995 40.800 0.222 0.000 1.369 372 D HN -0.039 nan 8.370 nan 0.000 0.585 373 P HA -0.159 nan 4.420 nan 0.000 0.221 373 P C 1.636 179.008 177.300 0.120 0.000 1.145 373 P CA 0.591 63.840 63.100 0.248 0.000 0.795 373 P CB 0.300 32.126 31.700 0.209 0.000 0.775 374 M N -0.824 118.851 119.600 0.125 0.000 2.213 374 M HA -0.065 4.420 4.480 0.007 0.000 0.263 374 M C 2.318 178.698 176.300 0.135 0.000 1.062 374 M CA 1.283 56.633 55.300 0.082 0.000 1.105 374 M CB -1.365 31.256 32.600 0.035 0.000 1.385 374 M HN 0.020 nan 8.290 nan 0.000 0.417 375 L N -0.744 120.600 121.223 0.203 0.000 2.109 375 L HA -0.168 4.176 4.340 0.007 0.000 0.207 375 L C 2.352 179.360 176.870 0.230 0.000 1.086 375 L CA 0.686 55.704 54.840 0.296 0.000 0.760 375 L CB -0.601 41.733 42.059 0.458 0.000 0.910 375 L HN 0.258 nan 8.230 nan 0.000 0.437 376 L N -0.289 120.965 121.223 0.051 0.000 2.027 376 L HA -0.157 4.187 4.340 0.007 0.000 0.206 376 L C 2.940 179.743 176.870 -0.112 0.000 1.074 376 L CA 1.181 55.928 54.840 -0.156 0.000 0.745 376 L CB -0.819 41.075 42.059 -0.275 0.000 0.898 376 L HN 0.223 nan 8.230 nan 0.000 0.433 377 A N -0.461 122.301 122.820 -0.097 0.000 1.877 377 A HA -0.299 4.025 4.320 0.007 0.000 0.216 377 A C 2.229 179.855 177.584 0.070 0.000 1.186 377 A CA 1.640 53.614 52.037 -0.106 0.000 0.620 377 A CB -1.030 17.939 19.000 -0.051 0.000 0.822 377 A HN 0.455 nan 8.150 nan 0.000 0.443 378 Y N 0.512 120.818 120.300 0.010 0.000 2.193 378 Y HA -0.188 4.366 4.550 0.007 0.000 0.285 378 Y C 1.918 177.848 175.900 0.050 0.000 1.166 378 Y CA 1.792 59.920 58.100 0.046 0.000 1.181 378 Y CB -0.327 38.172 38.460 0.065 0.000 0.976 378 Y HN 0.231 nan 8.280 nan 0.000 0.520 379 L N -1.051 120.190 121.223 0.031 0.000 2.156 379 L HA -0.188 4.156 4.340 0.007 0.000 0.208 379 L C 2.359 179.184 176.870 -0.075 0.000 1.095 379 L CA 0.766 55.573 54.840 -0.055 0.000 0.770 379 L CB -0.424 41.658 42.059 0.039 0.000 0.914 379 L HN 0.249 nan 8.230 nan 0.000 0.439 380 L N -1.147 120.036 121.223 -0.067 0.000 2.072 380 L HA -0.048 4.296 4.340 0.007 0.000 0.205 380 L C 0.443 177.319 176.870 0.011 0.000 1.079 380 L CA 0.901 55.706 54.840 -0.059 0.000 0.752 380 L CB 0.070 42.065 42.059 -0.106 0.000 0.906 380 L HN 0.209 nan 8.230 nan 0.000 0.436 381 D N -1.399 119.006 120.400 0.009 0.000 2.470 381 D HA 0.121 4.765 4.640 0.007 0.000 0.233 381 D C -2.144 174.165 176.300 0.016 0.000 1.372 381 D CA -1.479 52.547 54.000 0.044 0.000 0.994 381 D CB 1.804 42.598 40.800 -0.010 0.000 1.377 381 D HN -0.205 nan 8.370 nan 0.000 0.586 382 P HA -0.122 nan 4.420 nan 0.000 0.229 382 P C 0.943 178.319 177.300 0.128 0.000 1.150 382 P CA 0.615 63.627 63.100 -0.147 0.000 0.765 382 P CB 0.172 31.737 31.700 -0.224 0.000 0.783 383 S N -2.079 113.683 115.700 0.104 0.000 2.562 383 S HA 0.036 4.510 4.470 0.007 0.000 0.221 383 S C 0.986 175.653 174.600 0.111 0.000 0.975 383 S CA -0.282 57.978 58.200 0.100 0.000 0.918 383 S CB -0.876 62.358 63.200 0.057 0.000 0.772 383 S HN 0.007 nan 8.310 nan 0.000 0.531 384 N N 3.203 121.997 118.700 0.157 0.000 2.508 384 N HA 0.144 4.888 4.740 0.007 0.000 0.253 384 N C 0.689 176.304 175.510 0.175 0.000 1.145 384 N CA 0.563 53.710 53.050 0.162 0.000 0.973 384 N CB 1.244 39.861 38.487 0.217 0.000 1.305 384 N HN 0.663 nan 8.380 nan 0.000 0.506 385 T N -3.175 111.435 114.554 0.093 0.000 2.985 385 T HA 0.055 4.410 4.350 0.007 0.000 0.254 385 T C 0.887 175.561 174.700 -0.043 0.000 1.021 385 T CA -0.004 62.116 62.100 0.034 0.000 0.957 385 T CB 0.218 69.109 68.868 0.038 0.000 1.047 385 T HN 0.352 nan 8.240 nan 0.000 0.511 386 T N -0.746 113.771 114.554 -0.061 0.000 2.916 386 T HA 0.566 4.920 4.350 0.007 0.000 0.292 386 T C -2.307 172.261 174.700 -0.219 0.000 1.055 386 T CA -1.834 60.177 62.100 -0.148 0.000 1.009 386 T CB 2.501 71.292 68.868 -0.129 0.000 1.118 386 T HN -0.249 nan 8.240 nan 0.000 0.497 387 P HA -0.072 nan 4.420 nan 0.000 0.216 387 P C 1.004 178.074 177.300 -0.383 0.000 1.153 387 P CA 1.216 63.962 63.100 -0.590 0.000 0.848 387 P CB 0.238 31.059 31.700 -1.464 0.000 0.787 388 E N 0.340 120.305 120.200 -0.390 0.000 2.065 388 E HA -0.173 4.181 4.350 0.007 0.000 0.201 388 E C 2.406 178.985 176.600 -0.035 0.000 1.016 388 E CA 2.147 58.497 56.400 -0.083 0.000 0.818 388 E CB -1.403 28.285 29.700 -0.019 0.000 0.749 388 E HN 0.342 nan 8.360 nan 0.000 0.453 389 G N -0.169 108.595 108.800 -0.061 0.000 2.394 389 G HA2 -0.185 3.779 3.960 0.007 0.000 0.215 389 G HA3 -0.185 3.779 3.960 0.007 0.000 0.215 389 G C 1.717 176.601 174.900 -0.026 0.000 1.165 389 G CA 0.721 45.797 45.100 -0.040 0.000 0.784 389 G HN 0.191 nan 8.290 nan 0.000 0.535 390 V N 1.410 121.333 119.914 0.014 0.000 2.515 390 V HA -0.071 4.053 4.120 0.007 0.000 0.250 390 V C 3.232 179.420 176.094 0.157 0.000 1.058 390 V CA 1.852 64.242 62.300 0.150 0.000 1.064 390 V CB -0.503 31.407 31.823 0.145 0.000 0.675 390 V HN 0.465 nan 8.190 nan 0.000 0.461 391 A N 0.385 123.251 122.820 0.076 0.000 1.872 391 A HA -0.149 4.175 4.320 0.007 0.000 0.214 391 A C 2.541 180.160 177.584 0.057 0.000 1.187 391 A CA 2.114 54.213 52.037 0.103 0.000 0.614 391 A CB -0.639 18.451 19.000 0.149 0.000 0.826 391 A HN 0.480 nan 8.150 nan 0.000 0.442 392 R N 0.195 120.704 120.500 0.015 0.000 2.075 392 R HA -0.079 4.265 4.340 0.007 0.000 0.232 392 R C 2.316 178.555 176.300 -0.101 0.000 1.126 392 R CA 2.020 58.106 56.100 -0.025 0.000 0.963 392 R CB -1.055 29.228 30.300 -0.027 0.000 0.858 392 R HN 0.709 nan 8.270 nan 0.000 0.435 393 R N -1.271 119.106 120.500 -0.205 0.000 2.115 393 R HA -0.046 4.298 4.340 0.007 0.000 0.226 393 R C 0.855 176.815 176.300 -0.567 0.000 1.100 393 R CA 1.703 57.525 56.100 -0.464 0.000 0.980 393 R CB -0.121 29.727 30.300 -0.754 0.000 0.875 393 R HN 0.571 nan 8.270 nan 0.000 0.445 394 Y N -1.068 119.221 120.300 -0.018 0.000 2.584 394 Y HA 0.427 4.981 4.550 0.007 0.000 0.254 394 Y C 0.311 176.205 175.900 -0.010 0.000 1.177 394 Y CA -0.057 58.031 58.100 -0.020 0.000 1.216 394 Y CB 1.613 40.058 38.460 -0.025 0.000 1.172 394 Y HN 0.264 nan 8.280 nan 0.000 0.529 395 G N -0.474 108.379 108.800 0.087 0.000 2.614 395 G HA2 0.397 4.361 3.960 0.007 0.000 0.223 395 G HA3 0.397 4.361 3.960 0.007 0.000 0.223 395 G C -0.012 174.925 174.900 0.062 0.000 1.171 395 G CA -0.245 44.895 45.100 0.066 0.000 0.938 395 G HN 0.809 nan 8.290 nan 0.000 0.561 396 G N -0.725 108.105 108.800 0.052 0.000 2.350 396 G HA2 0.571 4.535 3.960 0.007 0.000 0.282 396 G HA3 0.571 4.535 3.960 0.007 0.000 0.282 396 G C -1.292 173.650 174.900 0.070 0.000 1.314 396 G CA 0.183 45.318 45.100 0.059 0.000 0.915 396 G HN 0.964 nan 8.290 nan 0.000 0.499 397 E N -0.431 119.820 120.200 0.085 0.000 2.275 397 E HA 0.383 4.737 4.350 0.007 0.000 0.270 397 E C -1.162 175.536 176.600 0.164 0.000 0.882 397 E CA -0.987 55.475 56.400 0.105 0.000 0.758 397 E CB 1.706 31.439 29.700 0.055 0.000 1.195 397 E HN 0.649 nan 8.360 nan 0.000 0.419 398 W N 7.318 128.610 121.300 -0.012 0.000 2.387 398 W HA 0.178 4.842 4.660 0.007 0.000 0.310 398 W C -0.566 175.937 176.519 -0.027 0.000 1.181 398 W CA -0.107 57.226 57.345 -0.021 0.000 1.333 398 W CB 0.820 30.268 29.460 -0.020 0.000 1.286 398 W HN 0.682 nan 8.180 nan 0.000 0.455 399 T N 1.589 115.918 114.554 -0.374 0.000 2.855 399 T HA 0.308 4.663 4.350 0.007 0.000 0.275 399 T C 0.417 174.761 174.700 -0.595 0.000 1.022 399 T CA -0.398 61.482 62.100 -0.367 0.000 0.977 399 T CB 1.632 70.374 68.868 -0.209 0.000 1.559 399 T HN 0.389 nan 8.240 nan 0.000 0.600 400 E N -0.012 119.965 120.200 -0.371 0.000 2.548 400 E HA 0.245 4.599 4.350 0.007 0.000 0.206 400 E C -0.176 176.262 176.600 -0.270 0.000 1.005 400 E CA -0.117 56.075 56.400 -0.347 0.000 0.951 400 E CB 0.514 30.086 29.700 -0.212 0.000 1.035 400 E HN 0.538 nan 8.360 nan 0.000 0.470 401 E N 0.652 120.703 120.200 -0.250 0.000 2.156 401 E HA 0.375 4.729 4.350 0.007 0.000 0.279 401 E C 0.563 177.055 176.600 -0.179 0.000 0.965 401 E CA -0.298 56.000 56.400 -0.170 0.000 0.789 401 E CB 1.703 31.332 29.700 -0.119 0.000 1.098 401 E HN 0.000 nan 8.360 nan 0.000 0.397 402 A N 4.357 127.096 122.820 -0.135 0.000 1.883 402 A HA -0.155 4.170 4.320 0.007 0.000 0.217 402 A C 1.893 179.455 177.584 -0.037 0.000 1.186 402 A CA 2.051 54.032 52.037 -0.093 0.000 0.624 402 A CB -0.909 18.060 19.000 -0.052 0.000 0.822 402 A HN 0.731 nan 8.150 nan 0.000 0.444 403 G N -0.408 108.378 108.800 -0.022 0.000 2.491 403 G HA2 -0.279 3.685 3.960 0.007 0.000 0.218 403 G HA3 -0.279 3.685 3.960 0.007 0.000 0.218 403 G C 1.398 176.305 174.900 0.011 0.000 1.180 403 G CA 1.115 46.226 45.100 0.018 0.000 0.774 403 G HN 0.656 nan 8.290 nan 0.000 0.562 404 E N 0.031 120.212 120.200 -0.032 0.000 2.160 404 E HA -0.117 4.238 4.350 0.007 0.000 0.195 404 E C 2.747 179.330 176.600 -0.028 0.000 0.991 404 E CA 0.690 57.069 56.400 -0.035 0.000 0.810 404 E CB -0.092 29.566 29.700 -0.071 0.000 0.742 404 E HN 0.373 nan 8.360 nan 0.000 0.466 405 R N 0.181 120.639 120.500 -0.070 0.000 2.090 405 R HA -0.033 4.311 4.340 0.007 0.000 0.228 405 R C 2.354 178.703 176.300 0.083 0.000 1.110 405 R CA 0.996 57.075 56.100 -0.036 0.000 0.973 405 R CB -0.193 29.998 30.300 -0.181 0.000 0.869 405 R HN 0.102 nan 8.270 nan 0.000 0.440 406 A N 1.280 124.158 122.820 0.097 0.000 1.898 406 A HA -0.074 4.250 4.320 0.007 0.000 0.216 406 A C 2.358 180.023 177.584 0.134 0.000 1.181 406 A CA 1.583 53.720 52.037 0.167 0.000 0.620 406 A CB -0.588 18.528 19.000 0.193 0.000 0.819 406 A HN 0.374 nan 8.150 nan 0.000 0.442 407 A N -0.392 122.483 122.820 0.092 0.000 1.877 407 A HA -0.043 4.281 4.320 0.007 0.000 0.216 407 A C 2.141 179.744 177.584 0.033 0.000 1.186 407 A CA 1.735 53.809 52.037 0.063 0.000 0.620 407 A CB -0.703 18.326 19.000 0.049 0.000 0.822 407 A HN 0.716 nan 8.150 nan 0.000 0.443 408 L N 0.218 121.472 121.223 0.052 0.000 2.042 408 L HA -0.149 4.195 4.340 0.007 0.000 0.210 408 L C 2.502 179.400 176.870 0.048 0.000 1.076 408 L CA 2.654 57.534 54.840 0.067 0.000 0.749 408 L CB -0.677 41.455 42.059 0.123 0.000 0.893 408 L HN 0.307 nan 8.230 nan 0.000 0.432 409 S N -0.630 115.107 115.700 0.062 0.000 2.370 409 S HA -0.264 4.210 4.470 0.007 0.000 0.226 409 S C 1.845 176.271 174.600 -0.292 0.000 1.033 409 S CA 1.532 59.743 58.200 0.019 0.000 1.011 409 S CB -0.392 62.900 63.200 0.154 0.000 0.852 409 S HN 0.655 nan 8.310 nan 0.000 0.457 410 E N 1.670 121.602 120.200 -0.447 0.000 2.031 410 E HA -0.245 4.109 4.350 0.007 0.000 0.193 410 E C 2.308 178.674 176.600 -0.389 0.000 0.994 410 E CA 1.272 57.155 56.400 -0.862 0.000 0.800 410 E CB -0.150 29.332 29.700 -0.362 0.000 0.752 410 E HN 0.603 nan 8.360 nan 0.000 0.447 411 R N 0.516 120.924 120.500 -0.154 0.000 2.092 411 R HA -0.101 4.243 4.340 0.007 0.000 0.231 411 R C 2.486 178.764 176.300 -0.037 0.000 1.119 411 R CA 1.372 57.437 56.100 -0.059 0.000 0.970 411 R CB -0.709 29.585 30.300 -0.010 0.000 0.864 411 R HN 0.223 nan 8.270 nan 0.000 0.440 412 L N 0.140 121.347 121.223 -0.026 0.000 2.017 412 L HA -0.145 4.199 4.340 0.007 0.000 0.208 412 L C 2.615 179.479 176.870 -0.009 0.000 1.073 412 L CA 1.515 56.362 54.840 0.012 0.000 0.745 412 L CB -0.550 41.541 42.059 0.053 0.000 0.894 412 L HN 0.149 nan 8.230 nan 0.000 0.432 413 F N 0.832 120.687 119.950 -0.158 0.000 2.126 413 F HA -0.253 4.278 4.527 0.007 0.000 0.299 413 F C 2.420 178.218 175.800 -0.003 0.000 1.096 413 F CA 1.247 59.192 58.000 -0.091 0.000 1.255 413 F CB -0.299 38.601 39.000 -0.168 0.000 0.997 413 F HN 0.012 nan 8.300 nan 0.000 0.479 414 A N 0.104 122.906 122.820 -0.030 0.000 1.883 414 A HA -0.271 4.053 4.320 0.007 0.000 0.217 414 A C 2.054 179.611 177.584 -0.044 0.000 1.186 414 A CA 2.121 54.149 52.037 -0.015 0.000 0.624 414 A CB -1.247 17.770 19.000 0.030 0.000 0.822 414 A HN 0.542 nan 8.150 nan 0.000 0.444 415 N N -0.321 118.348 118.700 -0.051 0.000 2.106 415 N HA -0.046 4.698 4.740 0.007 0.000 0.188 415 N C 1.611 177.046 175.510 -0.124 0.000 1.029 415 N CA 1.495 54.517 53.050 -0.047 0.000 0.848 415 N CB -0.323 38.165 38.487 0.002 0.000 1.007 415 N HN 0.435 nan 8.380 nan 0.000 0.423 416 L N -0.666 120.432 121.223 -0.209 0.000 2.046 416 L HA -0.164 4.181 4.340 0.007 0.000 0.208 416 L C 2.275 178.950 176.870 -0.326 0.000 1.077 416 L CA 0.942 55.581 54.840 -0.335 0.000 0.747 416 L CB -0.532 41.296 42.059 -0.384 0.000 0.896 416 L HN 0.461 nan 8.230 nan 0.000 0.432 417 W N 1.144 122.110 121.300 -0.557 0.000 2.374 417 W HA -0.120 4.544 4.660 0.007 0.000 0.288 417 W C 1.882 178.216 176.519 -0.310 0.000 1.218 417 W CA 1.504 58.511 57.345 -0.564 0.000 1.245 417 W CB -0.138 28.808 29.460 -0.856 0.000 1.126 417 W HN 0.196 nan 8.180 nan 0.000 0.545 418 G N 0.552 109.250 108.800 -0.171 0.000 2.511 418 G HA2 -0.202 3.762 3.960 0.007 0.000 0.217 418 G HA3 -0.202 3.762 3.960 0.007 0.000 0.217 418 G C 1.618 176.399 174.900 -0.199 0.000 1.133 418 G CA 0.211 45.221 45.100 -0.149 0.000 0.792 418 G HN 0.214 nan 8.290 nan 0.000 0.539 419 R N -0.494 119.874 120.500 -0.222 0.000 2.200 419 R HA 0.261 4.605 4.340 0.007 0.000 0.208 419 R C 1.929 178.086 176.300 -0.239 0.000 1.033 419 R CA 0.113 56.098 56.100 -0.192 0.000 1.000 419 R CB -0.133 30.063 30.300 -0.173 0.000 0.906 419 R HN 0.295 nan 8.270 nan 0.000 0.462 420 L N 1.278 122.284 121.223 -0.361 0.000 2.599 420 L HA 0.048 4.392 4.340 0.007 0.000 0.230 420 L C 0.781 177.420 176.870 -0.384 0.000 1.141 420 L CA -0.135 54.472 54.840 -0.390 0.000 0.877 420 L CB -0.561 41.169 42.059 -0.549 0.000 1.009 420 L HN 0.244 nan 8.230 nan 0.000 0.447 421 E N 0.827 120.820 120.200 -0.345 0.000 2.463 421 E HA 0.324 4.678 4.350 0.007 0.000 0.248 421 E C 1.280 177.782 176.600 -0.164 0.000 1.106 421 E CA 0.552 56.797 56.400 -0.258 0.000 0.946 421 E CB -0.496 29.098 29.700 -0.177 0.000 0.971 421 E HN 0.510 nan 8.360 nan 0.000 0.478 422 G N 2.076 110.790 108.800 -0.144 0.000 2.254 422 G HA2 -0.216 3.749 3.960 0.007 0.000 0.225 422 G HA3 -0.216 3.749 3.960 0.007 0.000 0.225 422 G C 0.568 175.424 174.900 -0.073 0.000 1.003 422 G CA 0.091 45.141 45.100 -0.083 0.000 0.622 422 G HN 0.607 nan 8.290 nan 0.000 0.507 423 E N 1.856 121.992 120.200 -0.107 0.000 2.467 423 E HA 0.400 4.755 4.350 0.007 0.000 0.321 423 E C 1.712 178.283 176.600 -0.048 0.000 1.388 423 E CA 0.823 57.176 56.400 -0.079 0.000 1.508 423 E CB -0.499 29.134 29.700 -0.111 0.000 1.250 423 E HN 0.857 nan 8.360 nan 0.000 0.500 424 E N 2.291 122.480 120.200 -0.019 0.000 2.147 424 E HA -0.274 4.080 4.350 0.007 0.000 0.199 424 E C 1.836 178.486 176.600 0.083 0.000 1.005 424 E CA 1.336 57.753 56.400 0.028 0.000 0.810 424 E CB -0.438 29.281 29.700 0.030 0.000 0.736 424 E HN 0.192 nan 8.360 nan 0.000 0.460 425 R N -0.645 119.889 120.500 0.058 0.000 2.075 425 R HA 0.103 4.447 4.340 0.007 0.000 0.232 425 R C 2.663 179.051 176.300 0.147 0.000 1.126 425 R CA 1.270 57.420 56.100 0.084 0.000 0.963 425 R CB -0.420 29.905 30.300 0.042 0.000 0.858 425 R HN 0.477 nan 8.270 nan 0.000 0.435 426 L N 0.555 121.827 121.223 0.083 0.000 2.179 426 L HA -0.067 4.277 4.340 0.007 0.000 0.208 426 L C 2.407 179.349 176.870 0.120 0.000 1.096 426 L CA 0.634 55.525 54.840 0.084 0.000 0.779 426 L CB -0.347 41.708 42.059 -0.007 0.000 0.922 426 L HN 0.111 nan 8.230 nan 0.000 0.443 427 L N -1.550 119.721 121.223 0.080 0.000 2.131 427 L HA -0.227 4.117 4.340 0.007 0.000 0.210 427 L C 2.385 179.376 176.870 0.202 0.000 1.092 427 L CA 1.437 56.335 54.840 0.096 0.000 0.759 427 L CB -0.447 41.617 42.059 0.008 0.000 0.903 427 L HN 0.392 nan 8.230 nan 0.000 0.435 428 W N 0.515 121.837 121.300 0.037 0.000 2.379 428 W HA -0.159 4.505 4.660 0.007 0.000 0.307 428 W C 2.238 178.766 176.519 0.014 0.000 1.200 428 W CA 1.183 58.534 57.345 0.010 0.000 1.297 428 W CB -0.071 29.359 29.460 -0.050 0.000 1.140 428 W HN -0.062 nan 8.180 nan 0.000 0.507 429 L N -0.410 121.008 121.223 0.326 0.000 2.083 429 L HA -0.253 4.092 4.340 0.007 0.000 0.209 429 L C 2.396 179.325 176.870 0.098 0.000 1.083 429 L CA 1.520 56.488 54.840 0.214 0.000 0.752 429 L CB -1.061 41.172 42.059 0.290 0.000 0.899 429 L HN 0.109 nan 8.230 nan 0.000 0.433 430 Y N 0.800 121.118 120.300 0.030 0.000 2.109 430 Y HA -0.193 4.361 4.550 0.007 0.000 0.285 430 Y C 2.724 178.627 175.900 0.005 0.000 1.131 430 Y CA 1.521 59.654 58.100 0.056 0.000 1.121 430 Y CB -0.139 38.393 38.460 0.120 0.000 0.987 430 Y HN -0.063 nan 8.280 nan 0.000 0.495 431 R N -0.295 120.138 120.500 -0.113 0.000 2.119 431 R HA -0.062 4.282 4.340 0.007 0.000 0.222 431 R C 1.669 177.761 176.300 -0.346 0.000 1.088 431 R CA 1.239 57.192 56.100 -0.245 0.000 0.984 431 R CB -0.009 30.264 30.300 -0.045 0.000 0.884 431 R HN 0.335 nan 8.270 nan 0.000 0.447 432 E N -0.328 119.555 120.200 -0.528 0.000 2.452 432 E HA 0.030 4.384 4.350 0.007 0.000 0.197 432 E C 1.415 177.730 176.600 -0.475 0.000 1.022 432 E CA 0.481 56.477 56.400 -0.674 0.000 0.890 432 E CB 0.785 29.617 29.700 -1.448 0.000 0.918 432 E HN 0.105 nan 8.360 nan 0.000 0.496 433 V N 0.508 120.221 119.914 -0.335 0.000 3.668 433 V HA -0.026 4.098 4.120 0.007 0.000 0.199 433 V C 1.877 177.919 176.094 -0.086 0.000 1.241 433 V CA 0.095 62.308 62.300 -0.146 0.000 1.308 433 V CB -0.132 31.680 31.823 -0.018 0.000 1.411 433 V HN -0.055 nan 8.190 nan 0.000 0.535 434 E N 1.115 121.295 120.200 -0.033 0.000 2.033 434 E HA -0.280 4.074 4.350 0.007 0.000 0.199 434 E C 2.110 178.652 176.600 -0.095 0.000 1.011 434 E CA 1.979 58.383 56.400 0.008 0.000 0.815 434 E CB -0.410 29.383 29.700 0.155 0.000 0.755 434 E HN 0.416 nan 8.360 nan 0.000 0.451 435 R N 0.737 121.063 120.500 -0.289 0.000 2.080 435 R HA -0.114 4.230 4.340 0.007 0.000 0.236 435 R C -0.476 175.710 176.300 -0.190 0.000 1.137 435 R CA 2.148 58.056 56.100 -0.321 0.000 0.943 435 R CB -1.021 28.914 30.300 -0.610 0.000 0.846 435 R HN 0.176 nan 8.270 nan 0.000 0.431 436 P HA -0.184 nan 4.420 nan 0.000 0.216 436 P C 1.521 178.757 177.300 -0.107 0.000 1.153 436 P CA 1.012 64.037 63.100 -0.125 0.000 0.848 436 P CB -0.181 31.448 31.700 -0.117 0.000 0.787 437 L N 1.294 122.459 121.223 -0.097 0.000 2.081 437 L HA -0.190 4.154 4.340 0.007 0.000 0.212 437 L C 2.633 179.438 176.870 -0.109 0.000 1.080 437 L CA 2.553 57.339 54.840 -0.090 0.000 0.754 437 L CB -1.530 40.502 42.059 -0.044 0.000 0.893 437 L HN 0.053 nan 8.230 nan 0.000 0.433 438 S N -0.548 115.101 115.700 -0.085 0.000 2.374 438 S HA -0.236 4.238 4.470 0.007 0.000 0.227 438 S C 2.151 176.679 174.600 -0.119 0.000 1.037 438 S CA 1.154 59.309 58.200 -0.074 0.000 1.024 438 S CB -1.157 62.018 63.200 -0.042 0.000 0.861 438 S HN 0.564 nan 8.310 nan 0.000 0.456 439 A N 1.578 124.316 122.820 -0.136 0.000 1.902 439 A HA 0.047 4.371 4.320 0.007 0.000 0.217 439 A C 2.466 179.883 177.584 -0.277 0.000 1.181 439 A CA 1.746 53.685 52.037 -0.163 0.000 0.623 439 A CB -1.216 17.732 19.000 -0.087 0.000 0.818 439 A HN 0.495 nan 8.150 nan 0.000 0.443 440 V N 0.366 120.057 119.914 -0.372 0.000 2.255 440 V HA -0.288 3.836 4.120 0.007 0.000 0.247 440 V C 2.569 178.408 176.094 -0.425 0.000 1.051 440 V CA 2.052 63.955 62.300 -0.661 0.000 1.018 440 V CB -0.918 30.616 31.823 -0.482 0.000 0.641 440 V HN 0.584 nan 8.190 nan 0.000 0.445 441 L N 0.086 121.156 121.223 -0.255 0.000 2.079 441 L HA -0.201 4.143 4.340 0.007 0.000 0.210 441 L C 2.760 179.579 176.870 -0.085 0.000 1.081 441 L CA 1.531 56.279 54.840 -0.153 0.000 0.752 441 L CB -0.949 41.081 42.059 -0.047 0.000 0.896 441 L HN 0.388 nan 8.230 nan 0.000 0.433 442 A N -0.501 122.233 122.820 -0.145 0.000 1.851 442 A HA -0.248 4.076 4.320 0.007 0.000 0.216 442 A C 2.167 179.652 177.584 -0.164 0.000 1.195 442 A CA 1.618 53.558 52.037 -0.162 0.000 0.622 442 A CB -0.892 17.950 19.000 -0.264 0.000 0.831 442 A HN 0.406 nan 8.150 nan 0.000 0.444 443 H N -0.719 118.278 119.070 -0.122 0.000 2.352 443 H HA -0.120 4.440 4.556 0.007 0.000 0.299 443 H C 2.222 177.549 175.328 -0.002 0.000 1.097 443 H CA 1.995 58.019 56.048 -0.042 0.000 1.311 443 H CB -0.417 29.344 29.762 -0.002 0.000 1.377 443 H HN 0.507 nan 8.280 nan 0.000 0.504 444 M N 0.453 120.085 119.600 0.053 0.000 2.080 444 M HA -0.179 4.305 4.480 0.007 0.000 0.260 444 M C 2.279 178.666 176.300 0.145 0.000 1.068 444 M CA 1.677 57.007 55.300 0.049 0.000 1.109 444 M CB -0.220 32.313 32.600 -0.113 0.000 1.342 444 M HN 0.275 nan 8.290 nan 0.000 0.405 445 E N 0.296 120.608 120.200 0.186 0.000 2.077 445 E HA -0.168 4.186 4.350 0.007 0.000 0.193 445 E C 2.106 178.854 176.600 0.246 0.000 0.989 445 E CA 1.329 57.870 56.400 0.236 0.000 0.800 445 E CB -0.251 29.563 29.700 0.190 0.000 0.746 445 E HN 0.539 nan 8.360 nan 0.000 0.452 446 A N 0.969 123.875 122.820 0.143 0.000 1.969 446 A HA -0.137 4.188 4.320 0.007 0.000 0.218 446 A C 2.311 180.018 177.584 0.204 0.000 1.169 446 A CA 1.661 53.759 52.037 0.101 0.000 0.635 446 A CB -0.575 18.430 19.000 0.007 0.000 0.810 446 A HN 0.159 nan 8.150 nan 0.000 0.445 447 T N -0.772 113.880 114.554 0.165 0.000 2.851 447 T HA 0.370 4.724 4.350 0.007 0.000 0.262 447 T C 1.352 176.022 174.700 -0.050 0.000 1.043 447 T CA 1.137 63.287 62.100 0.083 0.000 1.140 447 T CB -0.686 68.213 68.868 0.051 0.000 0.872 447 T HN 1.475 nan 8.240 nan 0.000 0.446 448 G N 0.625 109.341 108.800 -0.141 0.000 2.806 448 G HA2 -0.116 3.848 3.960 0.007 0.000 0.236 448 G HA3 -0.116 3.848 3.960 0.007 0.000 0.236 448 G C -0.500 174.252 174.900 -0.246 0.000 1.387 448 G CA -0.295 44.536 45.100 -0.447 0.000 0.884 448 G HN 0.873 nan 8.290 nan 0.000 0.560 449 V N 0.189 119.982 119.914 -0.203 0.000 2.876 449 V HA 0.809 4.934 4.120 0.007 0.000 0.312 449 V C 0.713 176.754 176.094 -0.088 0.000 1.085 449 V CA -0.336 61.910 62.300 -0.091 0.000 0.945 449 V CB 1.741 33.586 31.823 0.036 0.000 1.017 449 V HN 1.175 nan 8.190 nan 0.000 0.428 450 R N 3.481 123.931 120.500 -0.084 0.000 2.594 450 R HA 0.553 4.897 4.340 0.007 0.000 0.272 450 R C -1.411 174.823 176.300 -0.109 0.000 1.074 450 R CA -0.327 55.720 56.100 -0.088 0.000 1.105 450 R CB 1.110 31.358 30.300 -0.088 0.000 1.008 450 R HN 0.654 nan 8.270 nan 0.000 0.472 451 L N 2.201 123.346 121.223 -0.130 0.000 2.388 451 L HA 0.272 4.616 4.340 0.007 0.000 0.264 451 L C -1.117 175.690 176.870 -0.105 0.000 0.998 451 L CA -0.397 54.317 54.840 -0.211 0.000 0.817 451 L CB 2.047 43.945 42.059 -0.268 0.000 1.338 451 L HN 0.595 nan 8.230 nan 0.000 0.414 452 D N 3.069 123.420 120.400 -0.083 0.000 2.517 452 D HA 0.121 4.765 4.640 0.007 0.000 0.220 452 D C 1.106 177.445 176.300 0.065 0.000 1.158 452 D CA 0.103 54.101 54.000 -0.004 0.000 0.992 452 D CB 0.779 41.561 40.800 -0.030 0.000 1.058 452 D HN 0.408 nan 8.370 nan 0.000 0.516 453 V N 3.339 123.271 119.914 0.031 0.000 2.252 453 V HA -0.303 3.821 4.120 0.007 0.000 0.249 453 V C 2.533 178.662 176.094 0.059 0.000 1.056 453 V CA 2.277 64.599 62.300 0.037 0.000 1.022 453 V CB -0.650 31.189 31.823 0.026 0.000 0.641 453 V HN 0.613 nan 8.190 nan 0.000 0.445 454 A N -1.424 121.437 122.820 0.068 0.000 2.019 454 A HA -0.237 4.087 4.320 0.007 0.000 0.219 454 A C 2.112 179.758 177.584 0.104 0.000 1.164 454 A CA 1.866 53.944 52.037 0.068 0.000 0.644 454 A CB -0.676 18.360 19.000 0.061 0.000 0.805 454 A HN 0.671 nan 8.150 nan 0.000 0.449 455 Y N 0.529 120.826 120.300 -0.005 0.000 2.133 455 Y HA -0.131 4.423 4.550 0.007 0.000 0.287 455 Y C 1.911 177.812 175.900 0.002 0.000 1.134 455 Y CA 1.874 59.974 58.100 0.000 0.000 1.133 455 Y CB -0.391 38.068 38.460 -0.000 0.000 0.987 455 Y HN 0.200 nan 8.280 nan 0.000 0.502 456 L N -0.322 120.898 121.223 -0.005 0.000 2.141 456 L HA -0.185 4.159 4.340 0.007 0.000 0.209 456 L C 2.597 179.417 176.870 -0.084 0.000 1.094 456 L CA 1.346 56.124 54.840 -0.104 0.000 0.763 456 L CB -0.496 41.566 42.059 0.004 0.000 0.908 456 L HN 0.111 nan 8.230 nan 0.000 0.437 457 R N 0.483 120.963 120.500 -0.033 0.000 2.080 457 R HA -0.171 4.173 4.340 0.007 0.000 0.236 457 R C 2.307 178.580 176.300 -0.045 0.000 1.137 457 R CA 1.870 57.955 56.100 -0.024 0.000 0.943 457 R CB -0.521 29.780 30.300 0.000 0.000 0.846 457 R HN 0.351 nan 8.270 nan 0.000 0.431 458 A N 0.099 122.885 122.820 -0.057 0.000 1.968 458 A HA -0.046 4.278 4.320 0.007 0.000 0.217 458 A C 2.165 179.685 177.584 -0.108 0.000 1.169 458 A CA 0.910 52.909 52.037 -0.064 0.000 0.638 458 A CB -0.544 18.431 19.000 -0.040 0.000 0.812 458 A HN 0.396 nan 8.150 nan 0.000 0.446 459 L N -0.510 120.598 121.223 -0.191 0.000 2.083 459 L HA -0.158 4.186 4.340 0.007 0.000 0.209 459 L C 2.718 179.515 176.870 -0.121 0.000 1.083 459 L CA 1.850 56.561 54.840 -0.215 0.000 0.752 459 L CB -0.306 41.550 42.059 -0.337 0.000 0.899 459 L HN 0.489 nan 8.230 nan 0.000 0.433 460 S N -0.045 115.599 115.700 -0.094 0.000 2.359 460 S HA -0.205 4.269 4.470 0.007 0.000 0.224 460 S C 1.956 176.526 174.600 -0.050 0.000 1.035 460 S CA 1.437 59.600 58.200 -0.060 0.000 1.018 460 S CB -0.264 62.909 63.200 -0.044 0.000 0.876 460 S HN 0.445 nan 8.310 nan 0.000 0.448 461 L N 1.056 122.252 121.223 -0.045 0.000 2.042 461 L HA -0.116 4.228 4.340 0.007 0.000 0.210 461 L C 2.751 179.601 176.870 -0.034 0.000 1.076 461 L CA 1.920 56.740 54.840 -0.033 0.000 0.749 461 L CB -0.661 41.382 42.059 -0.027 0.000 0.893 461 L HN 0.492 nan 8.230 nan 0.000 0.432 462 E N 0.551 120.724 120.200 -0.044 0.000 2.051 462 E HA -0.199 4.155 4.350 0.007 0.000 0.192 462 E C 2.194 178.770 176.600 -0.040 0.000 0.991 462 E CA 1.964 58.340 56.400 -0.041 0.000 0.799 462 E CB 0.074 29.743 29.700 -0.053 0.000 0.748 462 E HN 0.394 nan 8.360 nan 0.000 0.449 463 V N -0.871 119.013 119.914 -0.050 0.000 2.427 463 V HA -0.081 4.043 4.120 0.007 0.000 0.248 463 V C 2.421 178.487 176.094 -0.047 0.000 1.051 463 V CA 1.520 63.790 62.300 -0.050 0.000 1.048 463 V CB -1.156 30.632 31.823 -0.058 0.000 0.666 463 V HN 0.337 nan 8.190 nan 0.000 0.456 464 A N 0.715 123.510 122.820 -0.042 0.000 1.917 464 A HA -0.276 4.048 4.320 0.007 0.000 0.219 464 A C 2.159 179.731 177.584 -0.021 0.000 1.182 464 A CA 2.301 54.319 52.037 -0.033 0.000 0.633 464 A CB -0.727 18.258 19.000 -0.025 0.000 0.819 464 A HN 0.700 nan 8.150 nan 0.000 0.448 465 E N -0.836 119.353 120.200 -0.018 0.000 2.077 465 E HA -0.178 4.176 4.350 0.007 0.000 0.193 465 E C 2.050 178.644 176.600 -0.009 0.000 0.989 465 E CA 1.038 57.432 56.400 -0.010 0.000 0.800 465 E CB -0.108 29.586 29.700 -0.010 0.000 0.746 465 E HN 0.507 nan 8.360 nan 0.000 0.452 466 E N 0.673 120.863 120.200 -0.017 0.000 2.106 466 E HA -0.117 4.237 4.350 0.007 0.000 0.192 466 E C 2.085 178.679 176.600 -0.011 0.000 0.984 466 E CA 0.584 56.975 56.400 -0.015 0.000 0.806 466 E CB -0.051 29.636 29.700 -0.022 0.000 0.750 466 E HN 0.326 nan 8.360 nan 0.000 0.458 467 I N 0.770 121.326 120.570 -0.023 0.000 2.226 467 I HA -0.275 3.899 4.170 0.007 0.000 0.245 467 I C 2.417 178.561 176.117 0.046 0.000 1.100 467 I CA 1.003 62.296 61.300 -0.012 0.000 1.374 467 I CB -0.291 37.661 38.000 -0.079 0.000 1.057 467 I HN 0.007 nan 8.210 nan 0.000 0.413 468 A N 1.059 123.893 122.820 0.023 0.000 1.883 468 A HA -0.226 4.098 4.320 0.007 0.000 0.217 468 A C 2.376 179.963 177.584 0.005 0.000 1.186 468 A CA 1.598 53.650 52.037 0.026 0.000 0.624 468 A CB -0.595 18.418 19.000 0.022 0.000 0.822 468 A HN 0.342 nan 8.150 nan 0.000 0.444 469 R N -0.608 119.892 120.500 0.000 0.000 2.096 469 R HA -0.031 4.313 4.340 0.007 0.000 0.235 469 R C 2.024 178.305 176.300 -0.031 0.000 1.127 469 R CA 1.373 57.467 56.100 -0.010 0.000 0.968 469 R CB -0.505 29.792 30.300 -0.005 0.000 0.861 469 R HN 0.511 nan 8.270 nan 0.000 0.440 470 L N 0.932 122.143 121.223 -0.019 0.000 2.044 470 L HA -0.153 4.191 4.340 0.007 0.000 0.205 470 L C 2.666 179.432 176.870 -0.174 0.000 1.075 470 L CA 1.435 56.254 54.840 -0.035 0.000 0.747 470 L CB -0.579 41.517 42.059 0.062 0.000 0.903 470 L HN 0.286 nan 8.230 nan 0.000 0.435 471 E N 0.935 121.008 120.200 -0.211 0.000 2.077 471 E HA -0.230 4.124 4.350 0.007 0.000 0.193 471 E C 2.176 178.296 176.600 -0.801 0.000 0.989 471 E CA 1.218 57.201 56.400 -0.694 0.000 0.800 471 E CB -0.378 28.996 29.700 -0.544 0.000 0.746 471 E HN 0.392 nan 8.360 nan 0.000 0.452 472 A N 1.712 124.357 122.820 -0.292 0.000 1.940 472 A HA -0.226 4.098 4.320 0.007 0.000 0.219 472 A C 2.154 179.688 177.584 -0.083 0.000 1.176 472 A CA 1.682 53.675 52.037 -0.074 0.000 0.631 472 A CB -0.374 18.631 19.000 0.008 0.000 0.814 472 A HN 0.190 nan 8.150 nan 0.000 0.446 473 E N -0.224 119.901 120.200 -0.125 0.000 2.046 473 E HA -0.091 4.263 4.350 0.007 0.000 0.190 473 E C 2.275 178.813 176.600 -0.104 0.000 0.982 473 E CA 1.239 57.593 56.400 -0.075 0.000 0.800 473 E CB -0.626 29.038 29.700 -0.059 0.000 0.756 473 E HN 0.388 nan 8.360 nan 0.000 0.449 474 V N 1.436 121.199 119.914 -0.250 0.000 2.282 474 V HA -0.268 3.856 4.120 0.007 0.000 0.249 474 V C 2.242 178.276 176.094 -0.100 0.000 1.057 474 V CA 1.801 63.949 62.300 -0.253 0.000 1.032 474 V CB -0.699 30.826 31.823 -0.497 0.000 0.645 474 V HN 0.098 nan 8.190 nan 0.000 0.447 475 F N 0.386 120.277 119.950 -0.099 0.000 2.126 475 F HA -0.127 4.405 4.527 0.007 0.000 0.299 475 F C 2.552 178.329 175.800 -0.037 0.000 1.096 475 F CA 1.688 59.644 58.000 -0.075 0.000 1.255 475 F CB -1.003 37.938 39.000 -0.099 0.000 0.997 475 F HN 0.051 nan 8.300 nan 0.000 0.479 476 R N 0.322 120.914 120.500 0.153 0.000 2.081 476 R HA -0.146 4.198 4.340 0.007 0.000 0.235 476 R C 2.125 178.475 176.300 0.083 0.000 1.131 476 R CA 1.134 57.293 56.100 0.099 0.000 0.960 476 R CB -0.311 30.028 30.300 0.065 0.000 0.856 476 R HN 0.184 nan 8.270 nan 0.000 0.436 477 L N 0.329 121.597 121.223 0.075 0.000 2.093 477 L HA -0.078 4.267 4.340 0.007 0.000 0.208 477 L C 2.489 179.408 176.870 0.081 0.000 1.085 477 L CA 1.875 56.776 54.840 0.102 0.000 0.755 477 L CB -1.282 40.851 42.059 0.124 0.000 0.904 477 L HN 0.353 nan 8.230 nan 0.000 0.435 478 A N -1.079 121.763 122.820 0.037 0.000 2.016 478 A HA 0.206 4.530 4.320 0.007 0.000 0.217 478 A C 1.859 179.431 177.584 -0.021 0.000 1.162 478 A CA 1.266 53.274 52.037 -0.049 0.000 0.662 478 A CB -0.312 18.621 19.000 -0.111 0.000 0.812 478 A HN 0.529 nan 8.150 nan 0.000 0.450 479 G N -1.493 107.329 108.800 0.037 0.000 2.157 479 G HA2 -0.123 3.841 3.960 0.007 0.000 0.239 479 G HA3 -0.123 3.841 3.960 0.007 0.000 0.239 479 G C 0.072 175.063 174.900 0.153 0.000 0.982 479 G CA 0.878 46.033 45.100 0.092 0.000 0.650 479 G HN 2.120 nan 8.290 nan 0.000 0.527 480 H N -2.337 116.800 119.070 0.110 0.000 3.081 480 H HA 0.625 5.186 4.556 0.007 0.000 0.322 480 H C -3.237 172.121 175.328 0.050 0.000 1.266 480 H CA -1.050 55.027 56.048 0.049 0.000 1.279 480 H CB 0.557 30.331 29.762 0.020 0.000 1.954 480 H HN 0.163 nan 8.280 nan 0.000 0.530 481 P HA 0.335 nan 4.420 nan 0.000 0.274 481 P C -0.976 176.225 177.300 -0.165 0.000 1.231 481 P CA -0.084 62.501 63.100 -0.859 0.000 0.790 481 P CB 1.024 32.200 31.700 -0.872 0.000 0.951 482 F N -1.960 117.702 119.950 -0.480 0.000 2.807 482 F HA 0.403 4.934 4.527 0.007 0.000 0.316 482 F C -1.067 174.764 175.800 0.052 0.000 1.162 482 F CA -1.409 56.557 58.000 -0.058 0.000 0.910 482 F CB 0.377 39.435 39.000 0.098 0.000 1.314 482 F HN 0.079 nan 8.300 nan 0.000 0.454 483 N N 2.371 121.136 118.700 0.109 0.000 2.402 483 N HA 0.121 4.865 4.740 0.007 0.000 0.259 483 N C 0.591 176.087 175.510 -0.025 0.000 1.167 483 N CA 0.076 53.142 53.050 0.027 0.000 0.949 483 N CB 0.874 39.417 38.487 0.093 0.000 1.212 483 N HN 0.931 nan 8.380 nan 0.000 0.493 484 L N 3.394 124.447 121.223 -0.282 0.000 2.275 484 L HA -0.082 4.263 4.340 0.007 0.000 0.215 484 L C 1.169 178.027 176.870 -0.020 0.000 1.119 484 L CA 0.708 55.332 54.840 -0.361 0.000 0.790 484 L CB -0.015 41.513 42.059 -0.884 0.000 0.919 484 L HN 0.511 nan 8.230 nan 0.000 0.443 485 N N -0.784 117.968 118.700 0.086 0.000 2.494 485 N HA -0.077 4.667 4.740 0.007 0.000 0.182 485 N C 0.726 176.308 175.510 0.121 0.000 1.076 485 N CA 0.303 53.444 53.050 0.151 0.000 0.908 485 N CB 0.144 38.713 38.487 0.136 0.000 0.967 485 N HN 0.064 nan 8.380 nan 0.000 0.449 486 S N 1.091 116.868 115.700 0.128 0.000 2.416 486 S HA 0.167 4.642 4.470 0.007 0.000 0.287 486 S C 1.396 176.080 174.600 0.139 0.000 1.139 486 S CA -0.799 57.477 58.200 0.128 0.000 1.058 486 S CB 0.847 64.130 63.200 0.138 0.000 0.967 486 S HN 0.321 nan 8.310 nan 0.000 0.495 487 R N 3.892 124.459 120.500 0.110 0.000 2.096 487 R HA -0.086 4.258 4.340 0.007 0.000 0.235 487 R C 0.799 177.159 176.300 0.101 0.000 1.127 487 R CA 1.866 58.029 56.100 0.106 0.000 0.968 487 R CB -0.520 29.835 30.300 0.092 0.000 0.861 487 R HN 0.442 nan 8.270 nan 0.000 0.440 488 D N 1.063 121.518 120.400 0.091 0.000 2.097 488 D HA -0.163 4.481 4.640 0.007 0.000 0.195 488 D C 2.080 178.419 176.300 0.065 0.000 0.989 488 D CA 1.448 55.495 54.000 0.078 0.000 0.827 488 D CB -0.299 40.540 40.800 0.065 0.000 0.966 488 D HN 0.471 nan 8.370 nan 0.000 0.456 489 Q N -0.292 119.562 119.800 0.091 0.000 2.167 489 Q HA -0.097 4.247 4.340 0.007 0.000 0.202 489 Q C 2.136 178.104 176.000 -0.052 0.000 0.970 489 Q CA 0.452 56.298 55.803 0.071 0.000 0.855 489 Q CB -0.022 28.858 28.738 0.237 0.000 0.911 489 Q HN 0.166 nan 8.270 nan 0.000 0.438 490 L N 0.804 122.059 121.223 0.054 0.000 2.240 490 L HA -0.094 4.251 4.340 0.007 0.000 0.211 490 L C 2.049 178.822 176.870 -0.161 0.000 1.106 490 L CA 1.564 56.383 54.840 -0.035 0.000 0.793 490 L CB -0.234 41.889 42.059 0.106 0.000 0.927 490 L HN 0.147 nan 8.230 nan 0.000 0.446 491 E N -0.412 119.764 120.200 -0.039 0.000 2.031 491 E HA -0.253 4.101 4.350 0.007 0.000 0.193 491 E C 2.278 178.865 176.600 -0.023 0.000 0.994 491 E CA 1.281 57.711 56.400 0.050 0.000 0.800 491 E CB -0.011 29.812 29.700 0.206 0.000 0.752 491 E HN 0.477 nan 8.360 nan 0.000 0.447 492 R N 0.045 120.526 120.500 -0.032 0.000 2.080 492 R HA -0.158 4.186 4.340 0.007 0.000 0.236 492 R C 2.516 178.728 176.300 -0.146 0.000 1.137 492 R CA 1.640 57.711 56.100 -0.048 0.000 0.943 492 R CB -0.612 29.655 30.300 -0.055 0.000 0.846 492 R HN 0.128 nan 8.270 nan 0.000 0.431 493 V N 1.739 121.482 119.914 -0.285 0.000 2.324 493 V HA -0.261 3.864 4.120 0.007 0.000 0.250 493 V C 2.350 178.237 176.094 -0.346 0.000 1.060 493 V CA 1.823 63.902 62.300 -0.368 0.000 1.042 493 V CB -0.473 30.927 31.823 -0.705 0.000 0.650 493 V HN 0.283 nan 8.190 nan 0.000 0.450 494 L N -1.641 119.296 121.223 -0.478 0.000 2.023 494 L HA -0.056 4.288 4.340 0.007 0.000 0.205 494 L C 2.354 178.907 176.870 -0.529 0.000 1.073 494 L CA 1.525 55.979 54.840 -0.643 0.000 0.745 494 L CB -0.530 40.870 42.059 -1.098 0.000 0.900 494 L HN 0.270 nan 8.230 nan 0.000 0.435 495 F N -0.583 119.337 119.950 -0.050 0.000 2.473 495 F HA -0.014 4.516 4.527 0.007 0.000 0.294 495 F C 2.038 177.823 175.800 -0.024 0.000 1.103 495 F CA 0.270 58.253 58.000 -0.028 0.000 1.442 495 F CB -0.417 38.572 39.000 -0.018 0.000 1.097 495 F HN 0.056 nan 8.300 nan 0.000 0.547 496 D N 0.003 120.454 120.400 0.085 0.000 2.527 496 D HA -0.018 4.626 4.640 0.007 0.000 0.249 496 D C 2.004 178.311 176.300 0.011 0.000 1.029 496 D CA 0.715 54.744 54.000 0.049 0.000 0.951 496 D CB -0.533 40.285 40.800 0.030 0.000 1.093 496 D HN 0.165 nan 8.370 nan 0.000 0.464 497 E N 0.689 120.875 120.200 -0.024 0.000 2.023 497 E HA -0.073 4.281 4.350 0.007 0.000 0.196 497 E C 0.700 177.293 176.600 -0.012 0.000 1.003 497 E CA 0.670 57.059 56.400 -0.018 0.000 0.809 497 E CB 0.007 29.691 29.700 -0.027 0.000 0.755 497 E HN 0.155 nan 8.360 nan 0.000 0.449 498 L N -0.246 120.947 121.223 -0.050 0.000 2.456 498 L HA 0.250 4.594 4.340 0.007 0.000 0.257 498 L C 1.103 177.982 176.870 0.016 0.000 1.162 498 L CA -0.284 54.544 54.840 -0.020 0.000 0.808 498 L CB 0.747 42.743 42.059 -0.106 0.000 1.136 498 L HN 0.127 nan 8.230 nan 0.000 0.466 499 G N 1.991 110.825 108.800 0.056 0.000 3.949 499 G HA2 0.345 4.309 3.960 0.007 0.000 0.295 499 G HA3 0.345 4.309 3.960 0.007 0.000 0.295 499 G C 0.088 175.049 174.900 0.102 0.000 1.286 499 G CA -0.401 44.744 45.100 0.074 0.000 1.171 499 G HN 0.269 nan 8.290 nan 0.000 0.586 500 L N 2.293 123.583 121.223 0.112 0.000 2.367 500 L HA 0.262 4.606 4.340 0.007 0.000 0.275 500 L C -1.620 175.427 176.870 0.296 0.000 1.129 500 L CA -1.634 53.304 54.840 0.164 0.000 0.839 500 L CB 1.075 43.184 42.059 0.083 0.000 1.133 500 L HN 0.106 nan 8.230 nan 0.000 0.453 501 P HA 0.115 nan 4.420 nan 0.000 0.271 501 P C -0.584 176.783 177.300 0.112 0.000 1.220 501 P CA -0.382 62.797 63.100 0.131 0.000 0.768 501 P CB 1.200 32.947 31.700 0.078 0.000 0.848 502 A N 3.526 126.265 122.820 -0.136 0.000 2.445 502 A HA 0.176 4.500 4.320 0.007 0.000 0.242 502 A C 0.987 178.472 177.584 -0.164 0.000 1.075 502 A CA -0.050 51.704 52.037 -0.472 0.000 0.777 502 A CB -0.250 18.335 19.000 -0.691 0.000 1.013 502 A HN 0.477 nan 8.150 nan 0.000 0.493 503 I N 0.621 121.129 120.570 -0.104 0.000 3.616 503 I HA 0.303 4.477 4.170 0.007 0.000 0.296 503 I C 1.244 177.349 176.117 -0.020 0.000 1.226 503 I CA 1.218 62.509 61.300 -0.014 0.000 1.394 503 I CB 0.171 38.200 38.000 0.047 0.000 1.171 503 I HN 0.784 nan 8.210 nan 0.000 0.442 504 G N -0.388 108.381 108.800 -0.052 0.000 2.645 504 G HA2 0.572 4.537 3.960 0.007 0.000 0.292 504 G HA3 0.572 4.537 3.960 0.007 0.000 0.292 504 G C -1.359 173.509 174.900 -0.055 0.000 1.415 504 G CA -0.567 44.516 45.100 -0.028 0.000 0.785 504 G HN -0.275 nan 8.290 nan 0.000 0.483 505 K N 0.249 120.633 120.400 -0.025 0.000 2.340 505 K HA 0.657 4.981 4.320 0.007 0.000 0.244 505 K C 0.180 176.782 176.600 0.004 0.000 0.973 505 K CA -0.602 55.671 56.287 -0.024 0.000 0.828 505 K CB 1.685 34.170 32.500 -0.025 0.000 1.226 505 K HN 0.841 nan 8.250 nan 0.000 0.437 506 T N -1.754 112.806 114.554 0.010 0.000 2.904 506 T HA 0.159 4.514 4.350 0.007 0.000 0.290 506 T C 1.126 175.837 174.700 0.018 0.000 1.018 506 T CA -0.391 61.722 62.100 0.022 0.000 1.075 506 T CB 1.196 70.081 68.868 0.029 0.000 0.986 506 T HN 0.395 nan 8.240 nan 0.000 0.523 507 E N 1.141 121.354 120.200 0.021 0.000 2.031 507 E HA -0.097 4.258 4.350 0.007 0.000 0.193 507 E C 1.725 178.335 176.600 0.016 0.000 0.994 507 E CA 1.422 57.833 56.400 0.019 0.000 0.800 507 E CB -0.003 29.710 29.700 0.021 0.000 0.752 507 E HN 0.626 nan 8.360 nan 0.000 0.447 508 K N -0.957 119.453 120.400 0.017 0.000 2.284 508 K HA 0.025 4.350 4.320 0.007 0.000 0.198 508 K C 1.771 178.379 176.600 0.013 0.000 1.048 508 K CA 1.178 57.474 56.287 0.015 0.000 0.987 508 K CB 0.318 32.827 32.500 0.015 0.000 0.800 508 K HN 0.151 nan 8.250 nan 0.000 0.486 509 T N -3.988 110.575 114.554 0.015 0.000 3.044 509 T HA 0.243 4.597 4.350 0.007 0.000 0.260 509 T C 1.338 176.044 174.700 0.010 0.000 1.019 509 T CA 0.135 62.243 62.100 0.014 0.000 0.921 509 T CB 0.589 69.468 68.868 0.018 0.000 1.053 509 T HN 0.175 nan 8.240 nan 0.000 0.533 510 G N 2.214 111.019 108.800 0.008 0.000 2.187 510 G HA2 -0.299 3.665 3.960 0.007 0.000 0.261 510 G HA3 -0.299 3.665 3.960 0.007 0.000 0.261 510 G C 0.009 174.906 174.900 -0.005 0.000 1.000 510 G CA 0.445 45.545 45.100 -0.000 0.000 0.718 510 G HN 0.654 nan 8.290 nan 0.000 0.519 511 K N -0.283 120.120 120.400 0.006 0.000 2.168 511 K HA 0.375 4.699 4.320 0.007 0.000 0.258 511 K C 0.850 177.444 176.600 -0.011 0.000 1.010 511 K CA -0.648 55.645 56.287 0.008 0.000 0.929 511 K CB 0.682 33.203 32.500 0.035 0.000 0.998 511 K HN 0.235 nan 8.250 nan 0.000 0.479 512 R N 1.207 121.685 120.500 -0.036 0.000 2.404 512 R HA 0.001 4.345 4.340 0.007 0.000 0.315 512 R C 0.258 176.565 176.300 0.012 0.000 1.032 512 R CA -0.040 55.973 56.100 -0.145 0.000 0.992 512 R CB 0.622 30.680 30.300 -0.404 0.000 0.959 512 R HN 0.457 nan 8.270 nan 0.000 0.428 513 S N 1.444 117.149 115.700 0.007 0.000 2.568 513 S HA 0.008 4.482 4.470 0.007 0.000 0.282 513 S C 0.956 175.686 174.600 0.217 0.000 1.338 513 S CA -0.218 58.040 58.200 0.096 0.000 1.045 513 S CB 0.594 63.829 63.200 0.059 0.000 0.873 513 S HN 0.713 nan 8.310 nan 0.000 0.516 514 T N 0.982 115.652 114.554 0.194 0.000 3.296 514 T HA 0.341 4.695 4.350 0.007 0.000 0.285 514 T C 0.302 175.075 174.700 0.122 0.000 1.014 514 T CA -0.586 61.627 62.100 0.189 0.000 0.920 514 T CB -0.124 68.828 68.868 0.141 0.000 1.143 514 T HN 0.369 nan 8.240 nan 0.000 0.522 515 S N 1.228 116.992 115.700 0.107 0.000 2.569 515 S HA 0.457 4.931 4.470 0.007 0.000 0.274 515 S C 1.879 176.524 174.600 0.074 0.000 1.353 515 S CA -0.048 58.200 58.200 0.080 0.000 1.023 515 S CB 0.464 63.704 63.200 0.067 0.000 0.876 515 S HN 0.663 nan 8.310 nan 0.000 0.540 516 A N 1.731 124.589 122.820 0.062 0.000 1.978 516 A HA -0.026 4.298 4.320 0.007 0.000 0.220 516 A C 2.243 179.857 177.584 0.050 0.000 1.170 516 A CA 1.786 53.855 52.037 0.055 0.000 0.636 516 A CB -1.105 17.925 19.000 0.049 0.000 0.810 516 A HN 0.911 nan 8.150 nan 0.000 0.448 517 A N -0.765 122.084 122.820 0.048 0.000 1.898 517 A HA 0.055 4.379 4.320 0.007 0.000 0.216 517 A C 2.199 179.812 177.584 0.048 0.000 1.181 517 A CA 1.592 53.653 52.037 0.039 0.000 0.620 517 A CB -0.798 18.220 19.000 0.031 0.000 0.819 517 A HN 0.359 nan 8.150 nan 0.000 0.442 518 V N 0.243 120.196 119.914 0.065 0.000 2.427 518 V HA -0.223 3.901 4.120 0.007 0.000 0.248 518 V C 2.498 178.649 176.094 0.095 0.000 1.051 518 V CA 1.832 64.186 62.300 0.089 0.000 1.048 518 V CB -0.649 31.249 31.823 0.124 0.000 0.666 518 V HN 0.569 nan 8.190 nan 0.000 0.456 519 L N -0.574 120.697 121.223 0.081 0.000 2.141 519 L HA -0.097 4.247 4.340 0.007 0.000 0.209 519 L C 2.674 179.575 176.870 0.052 0.000 1.094 519 L CA 1.013 55.891 54.840 0.064 0.000 0.763 519 L CB -0.645 41.445 42.059 0.051 0.000 0.908 519 L HN 0.335 nan 8.230 nan 0.000 0.437 520 E N 0.803 121.031 120.200 0.046 0.000 2.038 520 E HA -0.231 4.123 4.350 0.007 0.000 0.195 520 E C 2.353 178.976 176.600 0.038 0.000 1.000 520 E CA 1.529 57.950 56.400 0.035 0.000 0.803 520 E CB -0.348 29.368 29.700 0.027 0.000 0.750 520 E HN 0.452 nan 8.360 nan 0.000 0.448 521 A N 0.706 123.553 122.820 0.044 0.000 2.032 521 A HA -0.153 4.172 4.320 0.007 0.000 0.221 521 A C 1.871 179.489 177.584 0.058 0.000 1.165 521 A CA 1.203 53.269 52.037 0.049 0.000 0.645 521 A CB -0.202 18.831 19.000 0.056 0.000 0.807 521 A HN 0.123 nan 8.150 nan 0.000 0.453 522 L N -1.564 119.698 121.223 0.066 0.000 2.728 522 L HA 0.208 4.552 4.340 0.007 0.000 0.238 522 L C 2.632 179.539 176.870 0.060 0.000 1.143 522 L CA 0.859 55.742 54.840 0.071 0.000 0.937 522 L CB -0.867 41.244 42.059 0.085 0.000 1.225 522 L HN 0.407 nan 8.230 nan 0.000 0.507 523 R N 0.358 120.887 120.500 0.048 0.000 2.139 523 R HA -0.135 4.209 4.340 0.007 0.000 0.243 523 R C 1.720 178.047 176.300 0.045 0.000 1.145 523 R CA 2.127 58.253 56.100 0.043 0.000 0.976 523 R CB -1.085 29.234 30.300 0.032 0.000 0.866 523 R HN 0.576 nan 8.270 nan 0.000 0.449 524 E N -1.065 119.160 120.200 0.042 0.000 2.481 524 E HA 0.328 4.683 4.350 0.007 0.000 0.198 524 E C 1.876 178.501 176.600 0.042 0.000 1.027 524 E CA 0.374 56.795 56.400 0.035 0.000 0.900 524 E CB 0.727 30.442 29.700 0.024 0.000 0.993 524 E HN 0.610 nan 8.360 nan 0.000 0.482 525 A N 0.884 123.743 122.820 0.065 0.000 2.072 525 A HA -0.026 4.298 4.320 0.007 0.000 0.216 525 A C 0.743 178.397 177.584 0.118 0.000 1.156 525 A CA 0.850 52.934 52.037 0.079 0.000 0.701 525 A CB 0.208 19.263 19.000 0.091 0.000 0.816 525 A HN 0.216 nan 8.150 nan 0.000 0.458 526 H N -2.413 116.659 119.070 0.004 0.000 3.112 526 H HA 0.271 4.831 4.556 0.007 0.000 0.347 526 H C -2.828 172.495 175.328 -0.007 0.000 1.188 526 H CA -1.141 54.904 56.048 -0.004 0.000 1.240 526 H CB 1.576 31.330 29.762 -0.014 0.000 1.920 526 H HN -0.111 nan 8.280 nan 0.000 0.535 527 P HA -0.014 nan 4.420 nan 0.000 0.222 527 P C 1.677 179.106 177.300 0.214 0.000 1.147 527 P CA 0.739 63.931 63.100 0.154 0.000 0.790 527 P CB 0.400 32.118 31.700 0.029 0.000 0.780 528 I N -1.049 119.748 120.570 0.378 0.000 2.676 528 I HA -0.153 4.021 4.170 0.007 0.000 0.259 528 I C 1.595 177.702 176.117 -0.016 0.000 1.194 528 I CA 0.848 62.179 61.300 0.052 0.000 1.473 528 I CB 0.097 37.982 38.000 -0.191 0.000 1.096 528 I HN -0.202 nan 8.210 nan 0.000 0.443 529 V N 1.550 121.471 119.914 0.011 0.000 2.343 529 V HA -0.261 3.863 4.120 0.007 0.000 0.247 529 V C 2.994 179.096 176.094 0.014 0.000 1.051 529 V CA 2.368 64.666 62.300 -0.003 0.000 1.036 529 V CB -1.427 30.408 31.823 0.020 0.000 0.654 529 V HN 0.645 nan 8.190 nan 0.000 0.451 530 E N 0.356 120.573 120.200 0.028 0.000 2.051 530 E HA -0.287 4.067 4.350 0.007 0.000 0.192 530 E C 2.141 178.752 176.600 0.020 0.000 0.991 530 E CA 1.552 57.968 56.400 0.025 0.000 0.799 530 E CB -0.533 29.182 29.700 0.026 0.000 0.748 530 E HN 0.513 nan 8.360 nan 0.000 0.449 531 K N -0.054 120.352 120.400 0.010 0.000 2.044 531 K HA -0.081 4.243 4.320 0.007 0.000 0.210 531 K C 2.288 178.891 176.600 0.005 0.000 1.049 531 K CA 1.546 57.831 56.287 -0.005 0.000 0.927 531 K CB -0.598 31.881 32.500 -0.035 0.000 0.713 531 K HN 0.549 nan 8.250 nan 0.000 0.443 532 I N 1.027 121.589 120.570 -0.013 0.000 2.286 532 I HA -0.268 3.906 4.170 0.007 0.000 0.248 532 I C 2.344 178.508 176.117 0.079 0.000 1.115 532 I CA 0.909 62.213 61.300 0.006 0.000 1.392 532 I CB -0.307 37.679 38.000 -0.023 0.000 1.065 532 I HN 0.055 nan 8.210 nan 0.000 0.418 533 L N 0.127 121.381 121.223 0.052 0.000 2.083 533 L HA -0.240 4.105 4.340 0.007 0.000 0.209 533 L C 2.671 179.575 176.870 0.056 0.000 1.083 533 L CA 1.502 56.374 54.840 0.054 0.000 0.752 533 L CB -0.510 41.572 42.059 0.039 0.000 0.899 533 L HN 0.355 nan 8.230 nan 0.000 0.433 534 Q N -1.450 118.382 119.800 0.054 0.000 2.137 534 Q HA -0.212 4.132 4.340 0.007 0.000 0.198 534 Q C 2.048 178.074 176.000 0.045 0.000 0.960 534 Q CA 1.337 57.163 55.803 0.038 0.000 0.847 534 Q CB -0.229 28.525 28.738 0.028 0.000 0.915 534 Q HN 0.474 nan 8.270 nan 0.000 0.448 535 Y N 1.830 122.100 120.300 -0.050 0.000 2.145 535 Y HA -0.218 4.337 4.550 0.007 0.000 0.286 535 Y C 2.286 178.162 175.900 -0.040 0.000 1.145 535 Y CA 1.460 59.521 58.100 -0.065 0.000 1.148 535 Y CB 0.088 38.484 38.460 -0.106 0.000 0.981 535 Y HN -0.096 nan 8.280 nan 0.000 0.507 536 R N 0.733 121.305 120.500 0.121 0.000 2.103 536 R HA -0.230 4.115 4.340 0.007 0.000 0.242 536 R C 2.262 178.541 176.300 -0.034 0.000 1.142 536 R CA 1.863 57.993 56.100 0.050 0.000 0.960 536 R CB -0.868 29.487 30.300 0.092 0.000 0.858 536 R HN 0.625 nan 8.270 nan 0.000 0.439 537 E N 0.658 120.846 120.200 -0.019 0.000 2.017 537 E HA -0.154 4.200 4.350 0.007 0.000 0.193 537 E C 2.182 178.750 176.600 -0.054 0.000 0.997 537 E CA 1.077 57.465 56.400 -0.019 0.000 0.804 537 E CB -0.092 29.605 29.700 -0.005 0.000 0.757 537 E HN 0.212 nan 8.360 nan 0.000 0.448 538 L N 0.798 121.963 121.223 -0.097 0.000 2.012 538 L HA -0.203 4.142 4.340 0.007 0.000 0.210 538 L C 2.989 179.759 176.870 -0.165 0.000 1.073 538 L CA 1.981 56.748 54.840 -0.121 0.000 0.748 538 L CB -1.122 40.853 42.059 -0.140 0.000 0.891 538 L HN 0.418 nan 8.230 nan 0.000 0.431 539 T N -2.636 111.739 114.554 -0.298 0.000 2.867 539 T HA -0.182 4.172 4.350 0.007 0.000 0.268 539 T C 1.805 176.419 174.700 -0.144 0.000 1.057 539 T CA 1.099 63.024 62.100 -0.293 0.000 1.136 539 T CB -0.123 68.432 68.868 -0.520 0.000 0.874 539 T HN 0.042 nan 8.240 nan 0.000 0.466 540 K N 1.610 121.953 120.400 -0.095 0.000 2.002 540 K HA 0.088 4.412 4.320 0.007 0.000 0.209 540 K C 2.216 178.832 176.600 0.027 0.000 1.048 540 K CA 1.347 57.619 56.287 -0.025 0.000 0.930 540 K CB -0.953 31.558 32.500 0.019 0.000 0.714 540 K HN 0.445 nan 8.250 nan 0.000 0.438 541 L N 0.394 121.666 121.223 0.082 0.000 2.017 541 L HA -0.187 4.157 4.340 0.007 0.000 0.208 541 L C 2.530 179.486 176.870 0.144 0.000 1.073 541 L CA 1.668 56.636 54.840 0.214 0.000 0.745 541 L CB -0.635 41.496 42.059 0.120 0.000 0.894 541 L HN 0.221 nan 8.230 nan 0.000 0.432 542 K N 0.956 121.370 120.400 0.023 0.000 1.987 542 K HA -0.214 4.111 4.320 0.007 0.000 0.216 542 K C 2.263 178.847 176.600 -0.028 0.000 1.051 542 K CA 2.314 58.594 56.287 -0.011 0.000 0.942 542 K CB -0.430 32.033 32.500 -0.062 0.000 0.722 542 K HN 0.337 nan 8.250 nan 0.000 0.444 543 S N -1.536 114.126 115.700 -0.063 0.000 2.428 543 S HA -0.070 4.404 4.470 0.007 0.000 0.230 543 S C 1.865 176.385 174.600 -0.134 0.000 1.014 543 S CA 1.407 59.558 58.200 -0.082 0.000 0.957 543 S CB -0.444 62.708 63.200 -0.081 0.000 0.784 543 S HN 0.390 nan 8.310 nan 0.000 0.499 544 T N 0.117 114.542 114.554 -0.215 0.000 3.031 544 T HA 0.258 4.612 4.350 0.007 0.000 0.254 544 T C 0.840 175.143 174.700 -0.661 0.000 1.060 544 T CA 0.817 62.621 62.100 -0.494 0.000 1.135 544 T CB -0.166 68.258 68.868 -0.741 0.000 0.896 544 T HN 0.634 nan 8.240 nan 0.000 0.472 545 Y N -0.412 119.904 120.300 0.027 0.000 2.817 545 Y HA 0.448 5.002 4.550 0.008 0.000 0.257 545 Y C 2.020 177.946 175.900 0.043 0.000 1.055 545 Y CA -0.683 57.453 58.100 0.060 0.000 1.319 545 Y CB -0.179 38.335 38.460 0.090 0.000 1.481 545 Y HN -0.053 nan 8.280 nan 0.000 0.471 546 I N 1.072 121.755 120.570 0.189 0.000 2.113 546 I HA -0.350 3.824 4.170 0.007 0.000 0.242 546 I C 1.466 177.604 176.117 0.036 0.000 1.064 546 I CA 2.009 63.359 61.300 0.084 0.000 1.320 546 I CB -0.238 37.782 38.000 0.032 0.000 1.028 546 I HN 0.352 nan 8.210 nan 0.000 0.406 547 D N 0.162 120.569 120.400 0.012 0.000 2.149 547 D HA -0.042 4.602 4.640 0.007 0.000 0.206 547 D C -0.461 175.834 176.300 -0.007 0.000 0.967 547 D CA 1.065 55.061 54.000 -0.007 0.000 0.848 547 D CB -1.595 39.191 40.800 -0.023 0.000 0.998 547 D HN 0.329 nan 8.370 nan 0.000 0.474 548 P HA -0.069 nan 4.420 nan 0.000 0.217 548 P C 2.069 179.373 177.300 0.008 0.000 1.151 548 P CA 0.710 63.798 63.100 -0.021 0.000 0.828 548 P CB 0.110 31.782 31.700 -0.048 0.000 0.788 549 L N 0.007 121.259 121.223 0.048 0.000 1.990 549 L HA -0.130 4.214 4.340 0.007 0.000 0.213 549 L C -0.094 176.803 176.870 0.044 0.000 1.072 549 L CA 2.278 57.161 54.840 0.072 0.000 0.755 549 L CB -2.629 39.496 42.059 0.110 0.000 0.889 549 L HN 0.044 nan 8.230 nan 0.000 0.432 550 P HA -0.155 nan 4.420 nan 0.000 0.219 550 P C 0.725 178.045 177.300 0.034 0.000 1.146 550 P CA 1.320 64.435 63.100 0.025 0.000 0.808 550 P CB -0.007 31.702 31.700 0.016 0.000 0.779 551 D N -1.658 118.752 120.400 0.017 0.000 2.349 551 D HA 0.024 4.668 4.640 0.007 0.000 0.224 551 D C 0.988 177.283 176.300 -0.008 0.000 1.029 551 D CA 0.569 54.568 54.000 -0.001 0.000 0.879 551 D CB 0.081 40.858 40.800 -0.037 0.000 0.906 551 D HN 0.142 nan 8.370 nan 0.000 0.528 552 L N 0.766 122.015 121.223 0.044 0.000 2.700 552 L HA 0.142 4.486 4.340 0.007 0.000 0.234 552 L C 0.346 177.447 176.870 0.385 0.000 1.156 552 L CA -0.096 54.804 54.840 0.100 0.000 0.946 552 L CB 0.098 42.211 42.059 0.091 0.000 1.216 552 L HN -0.105 nan 8.230 nan 0.000 0.493 553 I N 0.557 121.305 120.570 0.297 0.000 2.505 553 I HA -0.037 4.137 4.170 0.007 0.000 0.287 553 I C 0.816 177.196 176.117 0.439 0.000 1.104 553 I CA 0.110 61.599 61.300 0.315 0.000 1.387 553 I CB -0.102 37.998 38.000 0.166 0.000 1.404 553 I HN 0.161 nan 8.210 nan 0.000 0.528 554 H N 10.244 129.485 119.070 0.285 0.000 2.764 554 H HA 0.110 4.670 4.556 0.007 0.000 0.341 554 H C -1.537 173.772 175.328 -0.032 0.000 1.072 554 H CA -1.252 54.735 56.048 -0.102 0.000 1.444 554 H CB 1.576 31.061 29.762 -0.461 0.000 1.458 554 H HN 0.363 nan 8.280 nan 0.000 0.572 555 P HA -0.130 nan 4.420 nan 0.000 0.216 555 P C 0.912 178.277 177.300 0.109 0.000 1.153 555 P CA 1.246 64.356 63.100 0.017 0.000 0.848 555 P CB 0.321 31.976 31.700 -0.075 0.000 0.787 556 R N -0.259 120.392 120.500 0.251 0.000 2.316 556 R HA 0.012 4.356 4.340 0.007 0.000 0.202 556 R C 2.005 178.321 176.300 0.027 0.000 1.029 556 R CA 1.681 57.846 56.100 0.108 0.000 1.018 556 R CB -0.537 29.801 30.300 0.063 0.000 0.888 556 R HN 0.403 nan 8.270 nan 0.000 0.471 557 T N -5.850 108.747 114.554 0.073 0.000 2.980 557 T HA 0.186 4.540 4.350 0.007 0.000 0.252 557 T C 1.379 176.119 174.700 0.067 0.000 0.962 557 T CA 0.431 62.556 62.100 0.042 0.000 0.932 557 T CB 0.854 69.781 68.868 0.097 0.000 1.188 557 T HN 0.206 nan 8.240 nan 0.000 0.500 558 G N 2.084 110.949 108.800 0.108 0.000 2.179 558 G HA2 -0.245 3.719 3.960 0.007 0.000 0.257 558 G HA3 -0.245 3.719 3.960 0.007 0.000 0.257 558 G C 0.007 174.941 174.900 0.056 0.000 1.010 558 G CA 0.376 45.521 45.100 0.075 0.000 0.736 558 G HN 0.800 nan 8.290 nan 0.000 0.513 559 R N -1.437 119.121 120.500 0.096 0.000 2.888 559 R HA 0.736 5.080 4.340 0.007 0.000 0.266 559 R C -0.108 176.202 176.300 0.016 0.000 1.020 559 R CA -1.080 55.010 56.100 -0.016 0.000 0.963 559 R CB 1.321 31.531 30.300 -0.149 0.000 1.197 559 R HN 0.112 nan 8.270 nan 0.000 0.481 560 L N 2.291 123.470 121.223 -0.074 0.000 2.276 560 L HA 0.334 4.679 4.340 0.007 0.000 0.286 560 L C -0.704 176.087 176.870 -0.132 0.000 1.061 560 L CA -0.405 54.465 54.840 0.050 0.000 0.807 560 L CB 0.711 42.830 42.059 0.100 0.000 1.177 560 L HN 0.488 nan 8.230 nan 0.000 0.429 561 H N 1.145 120.325 119.070 0.183 0.000 2.638 561 H HA 0.316 4.876 4.556 0.007 0.000 0.303 561 H C -0.169 175.248 175.328 0.149 0.000 1.034 561 H CA -0.353 55.778 56.048 0.137 0.000 1.225 561 H CB 1.229 31.028 29.762 0.062 0.000 1.394 561 H HN 0.439 nan 8.280 nan 0.000 0.477 562 T N 3.452 118.087 114.554 0.134 0.000 2.874 562 T HA 0.346 4.701 4.350 0.007 0.000 0.281 562 T C 0.464 175.108 174.700 -0.094 0.000 0.994 562 T CA -0.940 61.147 62.100 -0.022 0.000 1.015 562 T CB 0.639 69.379 68.868 -0.213 0.000 1.028 562 T HN 0.373 nan 8.240 nan 0.000 0.523 563 R N 1.080 121.476 120.500 -0.175 0.000 2.368 563 R HA 0.372 4.716 4.340 0.007 0.000 0.302 563 R C -1.200 174.880 176.300 -0.368 0.000 1.002 563 R CA -0.353 55.674 56.100 -0.122 0.000 0.929 563 R CB 0.472 30.749 30.300 -0.038 0.000 1.073 563 R HN 0.485 nan 8.270 nan 0.000 0.464 564 F N 2.360 122.331 119.950 0.035 0.000 2.359 564 F HA 0.265 4.796 4.527 0.007 0.000 0.369 564 F C 0.264 176.064 175.800 0.000 0.000 1.084 564 F CA -0.800 57.208 58.000 0.014 0.000 1.096 564 F CB 0.835 39.834 39.000 -0.003 0.000 1.335 564 F HN 0.176 nan 8.300 nan 0.000 0.457 565 N N 3.711 122.466 118.700 0.091 0.000 2.420 565 N HA 0.003 4.747 4.740 0.007 0.000 0.262 565 N C 0.879 176.398 175.510 0.015 0.000 1.144 565 N CA 0.057 53.127 53.050 0.033 0.000 0.952 565 N CB 1.360 39.846 38.487 -0.002 0.000 1.081 565 N HN 0.720 nan 8.380 nan 0.000 0.480 566 Q N 1.061 120.836 119.800 -0.042 0.000 2.408 566 Q HA -0.004 4.340 4.340 0.007 0.000 0.205 566 Q C -0.031 175.719 176.000 -0.416 0.000 0.919 566 Q CA 0.623 56.363 55.803 -0.105 0.000 0.932 566 Q CB 0.482 29.195 28.738 -0.042 0.000 1.058 566 Q HN 0.677 nan 8.270 nan 0.000 0.517 567 T N -3.451 110.793 114.554 -0.518 0.000 3.630 567 T HA 0.675 5.029 4.350 0.007 0.000 0.238 567 T C -0.013 174.387 174.700 -0.500 0.000 1.195 567 T CA -0.083 61.362 62.100 -1.092 0.000 1.433 567 T CB 1.244 69.702 68.868 -0.684 0.000 0.940 567 T HN 0.100 nan 8.240 nan 0.000 0.641 568 A N 0.680 123.341 122.820 -0.265 0.000 2.551 568 A HA 0.574 4.898 4.320 0.007 0.000 0.252 568 A C 0.678 178.315 177.584 0.089 0.000 1.199 568 A CA -0.187 51.830 52.037 -0.033 0.000 0.972 568 A CB 0.597 19.585 19.000 -0.021 0.000 1.153 568 A HN 0.540 nan 8.150 nan 0.000 0.559 569 T N -0.581 114.091 114.554 0.196 0.000 2.887 569 T HA 0.542 4.896 4.350 0.007 0.000 0.288 569 T C 1.037 175.898 174.700 0.268 0.000 1.021 569 T CA 0.168 62.394 62.100 0.210 0.000 1.000 569 T CB 1.812 70.788 68.868 0.180 0.000 1.034 569 T HN 0.319 nan 8.240 nan 0.000 0.467 570 A N 1.068 123.968 122.820 0.133 0.000 2.169 570 A HA 0.084 4.408 4.320 0.007 0.000 0.212 570 A C 2.012 179.609 177.584 0.022 0.000 1.153 570 A CA 1.194 53.275 52.037 0.074 0.000 0.756 570 A CB -0.626 18.400 19.000 0.043 0.000 0.813 570 A HN 0.852 nan 8.150 nan 0.000 0.471 571 T N -5.958 108.618 114.554 0.037 0.000 3.001 571 T HA 0.437 4.791 4.350 0.007 0.000 0.251 571 T C 1.303 176.022 174.700 0.032 0.000 1.040 571 T CA 1.113 63.217 62.100 0.006 0.000 0.985 571 T CB 0.495 69.350 68.868 -0.021 0.000 1.011 571 T HN 1.478 nan 8.240 nan 0.000 0.509 572 G N 1.675 110.545 108.800 0.116 0.000 2.184 572 G HA2 -0.169 3.795 3.960 0.007 0.000 0.206 572 G HA3 -0.169 3.795 3.960 0.007 0.000 0.206 572 G C 0.165 175.199 174.900 0.223 0.000 0.995 572 G CA -0.480 44.732 45.100 0.187 0.000 0.651 572 G HN 0.615 nan 8.290 nan 0.000 0.511 573 R N -0.193 120.419 120.500 0.186 0.000 2.577 573 R HA 0.686 5.030 4.340 0.007 0.000 0.269 573 R C 0.800 177.233 176.300 0.222 0.000 1.084 573 R CA -0.315 55.905 56.100 0.200 0.000 1.163 573 R CB 0.698 31.106 30.300 0.180 0.000 1.100 573 R HN 0.255 nan 8.270 nan 0.000 0.547 574 L N 0.012 121.375 121.223 0.233 0.000 2.569 574 L HA 0.415 4.759 4.340 0.007 0.000 0.247 574 L C 0.495 177.504 176.870 0.233 0.000 1.135 574 L CA -0.475 54.483 54.840 0.197 0.000 0.812 574 L CB 1.120 43.301 42.059 0.203 0.000 1.431 574 L HN 0.772 nan 8.230 nan 0.000 0.499 575 S N -1.378 114.433 115.700 0.185 0.000 2.570 575 S HA 0.587 5.062 4.470 0.007 0.000 0.270 575 S C -1.150 173.474 174.600 0.041 0.000 1.149 575 S CA -0.822 57.468 58.200 0.151 0.000 0.837 575 S CB 1.806 65.073 63.200 0.111 0.000 1.124 575 S HN 0.400 nan 8.310 nan 0.000 0.465 576 S N 1.384 117.063 115.700 -0.036 0.000 2.472 576 S HA 0.847 5.321 4.470 0.007 0.000 0.303 576 S C -0.497 174.042 174.600 -0.103 0.000 1.099 576 S CA -0.617 57.449 58.200 -0.223 0.000 1.077 576 S CB 1.540 64.562 63.200 -0.296 0.000 1.031 576 S HN 0.763 nan 8.310 nan 0.000 0.487 577 S N 1.713 117.345 115.700 -0.113 0.000 2.709 577 S HA 0.676 5.150 4.470 0.007 0.000 0.302 577 S C -0.429 174.156 174.600 -0.025 0.000 1.127 577 S CA -0.760 57.415 58.200 -0.042 0.000 0.905 577 S CB 0.961 64.148 63.200 -0.022 0.000 1.151 577 S HN 0.824 nan 8.310 nan 0.000 0.510 578 D N 0.384 120.782 120.400 -0.004 0.000 3.685 578 D HA -0.154 4.490 4.640 0.007 0.000 0.152 578 D C -2.739 173.573 176.300 0.019 0.000 0.966 578 D CA 0.961 54.965 54.000 0.007 0.000 1.085 578 D CB -2.251 38.570 40.800 0.036 0.000 0.521 578 D HN 0.428 nan 8.370 nan 0.000 0.543 579 P HA 0.178 nan 4.420 nan 0.000 0.264 579 P C -0.432 176.893 177.300 0.041 0.000 1.236 579 P CA 0.152 63.300 63.100 0.080 0.000 0.811 579 P CB -0.007 31.777 31.700 0.141 0.000 0.840 580 N N 3.825 122.555 118.700 0.050 0.000 2.415 580 N HA 0.084 4.828 4.740 0.007 0.000 0.246 580 N C 0.164 175.738 175.510 0.107 0.000 1.078 580 N CA 0.059 53.129 53.050 0.034 0.000 0.942 580 N CB -0.023 38.495 38.487 0.051 0.000 1.140 580 N HN 0.274 nan 8.380 nan 0.000 0.501 581 L N 2.499 123.766 121.223 0.073 0.000 2.700 581 L HA 0.192 4.536 4.340 0.007 0.000 0.234 581 L C 1.206 178.183 176.870 0.178 0.000 1.156 581 L CA 0.113 55.047 54.840 0.157 0.000 0.946 581 L CB 0.037 42.203 42.059 0.179 0.000 1.216 581 L HN 0.572 nan 8.230 nan 0.000 0.493 582 Q N 0.544 120.424 119.800 0.133 0.000 2.319 582 Q HA 0.032 4.376 4.340 0.007 0.000 0.202 582 Q C 0.632 176.715 176.000 0.138 0.000 0.896 582 Q CA 0.268 56.156 55.803 0.142 0.000 0.942 582 Q CB 0.268 29.063 28.738 0.096 0.000 1.083 582 Q HN 0.668 nan 8.270 nan 0.000 0.510 583 N N -1.145 117.629 118.700 0.123 0.000 2.365 583 N HA 0.143 4.887 4.740 0.007 0.000 0.257 583 N C -0.405 175.103 175.510 -0.004 0.000 1.287 583 N CA -0.338 52.772 53.050 0.099 0.000 0.882 583 N CB 0.601 39.192 38.487 0.173 0.000 1.250 583 N HN -0.100 nan 8.380 nan 0.000 0.507 584 I N 1.820 122.299 120.570 -0.152 0.000 2.710 584 I HA 0.145 4.320 4.170 0.007 0.000 0.286 584 I C -1.688 174.116 176.117 -0.520 0.000 1.181 584 I CA -1.912 59.131 61.300 -0.429 0.000 1.430 584 I CB -0.318 37.347 38.000 -0.560 0.000 1.367 584 I HN 0.083 nan 8.210 nan 0.000 0.577 585 P HA 0.009 nan 4.420 nan 0.000 0.267 585 P C 0.483 177.583 177.300 -0.333 0.000 1.201 585 P CA 0.340 63.188 63.100 -0.421 0.000 0.775 585 P CB 0.994 32.441 31.700 -0.423 0.000 0.854 586 V N 1.682 121.458 119.914 -0.229 0.000 3.236 586 V HA 0.045 4.169 4.120 0.007 0.000 0.254 586 V C 1.758 177.780 176.094 -0.120 0.000 1.761 586 V CA 0.503 62.680 62.300 -0.204 0.000 1.017 586 V CB -0.145 31.524 31.823 -0.256 0.000 0.911 586 V HN 0.364 nan 8.190 nan 0.000 0.374 587 R N 1.127 121.573 120.500 -0.090 0.000 2.056 587 R HA 0.050 4.394 4.340 0.007 0.000 0.227 587 R C 1.217 177.495 176.300 -0.037 0.000 1.149 587 R CA 1.824 57.894 56.100 -0.050 0.000 0.937 587 R CB -0.507 29.776 30.300 -0.028 0.000 0.835 587 R HN 0.669 nan 8.270 nan 0.000 0.430 588 T N -1.383 113.150 114.554 -0.035 0.000 2.816 588 T HA 0.167 4.521 4.350 0.007 0.000 0.282 588 T C -2.041 172.644 174.700 -0.024 0.000 0.993 588 T CA -1.748 60.339 62.100 -0.022 0.000 0.994 588 T CB 1.419 70.278 68.868 -0.015 0.000 1.025 588 T HN -0.160 nan 8.240 nan 0.000 0.529 589 P HA -0.059 nan 4.420 nan 0.000 0.215 589 P C 1.589 178.886 177.300 -0.005 0.000 1.153 589 P CA 0.420 63.515 63.100 -0.007 0.000 0.853 589 P CB -0.018 31.681 31.700 -0.002 0.000 0.788 590 L N -0.718 120.499 121.223 -0.011 0.000 2.156 590 L HA 0.097 4.441 4.340 0.007 0.000 0.208 590 L C 2.156 179.015 176.870 -0.019 0.000 1.095 590 L CA 1.893 56.726 54.840 -0.012 0.000 0.770 590 L CB -1.521 40.528 42.059 -0.016 0.000 0.914 590 L HN -0.081 nan 8.230 nan 0.000 0.439 591 G N -1.187 107.590 108.800 -0.039 0.000 2.421 591 G HA2 -0.277 3.687 3.960 0.007 0.000 0.216 591 G HA3 -0.277 3.687 3.960 0.007 0.000 0.216 591 G C 1.437 176.290 174.900 -0.078 0.000 1.171 591 G CA 0.738 45.788 45.100 -0.084 0.000 0.775 591 G HN 0.512 nan 8.290 nan 0.000 0.543 592 Q N -0.139 119.631 119.800 -0.050 0.000 2.124 592 Q HA -0.042 4.302 4.340 0.007 0.000 0.202 592 Q C 2.776 178.798 176.000 0.036 0.000 0.977 592 Q CA 0.970 56.755 55.803 -0.030 0.000 0.850 592 Q CB -0.132 28.595 28.738 -0.019 0.000 0.901 592 Q HN 0.409 nan 8.270 nan 0.000 0.429 593 R N 0.095 120.633 120.500 0.063 0.000 2.152 593 R HA -0.077 4.267 4.340 0.007 0.000 0.232 593 R C 2.104 178.545 176.300 0.235 0.000 1.117 593 R CA 1.010 57.203 56.100 0.154 0.000 0.981 593 R CB -0.169 30.183 30.300 0.088 0.000 0.870 593 R HN 0.309 nan 8.270 nan 0.000 0.451 594 I N -0.064 120.584 120.570 0.131 0.000 2.277 594 I HA -0.193 3.981 4.170 0.007 0.000 0.243 594 I C 2.658 178.939 176.117 0.275 0.000 1.094 594 I CA 0.888 62.293 61.300 0.174 0.000 1.393 594 I CB -0.237 37.797 38.000 0.057 0.000 1.078 594 I HN 0.090 nan 8.210 nan 0.000 0.417 595 R N 1.373 121.956 120.500 0.137 0.000 2.120 595 R HA -0.138 4.206 4.340 0.007 0.000 0.234 595 R C 2.306 178.791 176.300 0.308 0.000 1.123 595 R CA 1.240 57.427 56.100 0.146 0.000 0.975 595 R CB -0.113 30.077 30.300 -0.184 0.000 0.866 595 R HN 0.203 nan 8.270 nan 0.000 0.446 596 R N -0.351 120.277 120.500 0.213 0.000 2.249 596 R HA -0.080 4.264 4.340 0.007 0.000 0.230 596 R C 1.944 178.298 176.300 0.089 0.000 1.121 596 R CA 1.015 57.197 56.100 0.136 0.000 0.997 596 R CB -0.114 30.225 30.300 0.066 0.000 0.867 596 R HN 0.273 nan 8.270 nan 0.000 0.465 597 A N 0.225 123.188 122.820 0.237 0.000 2.066 597 A HA -0.022 4.302 4.320 0.007 0.000 0.218 597 A C 0.225 177.807 177.584 -0.002 0.000 1.157 597 A CA 0.457 52.559 52.037 0.108 0.000 0.670 597 A CB -0.007 19.120 19.000 0.211 0.000 0.804 597 A HN 0.094 nan 8.150 nan 0.000 0.453 598 F N 1.272 121.313 119.950 0.152 0.000 2.434 598 F HA 0.451 4.983 4.527 0.008 0.000 0.358 598 F C 0.397 176.255 175.800 0.097 0.000 1.136 598 F CA -0.827 57.269 58.000 0.159 0.000 1.157 598 F CB 0.257 39.447 39.000 0.317 0.000 1.167 598 F HN 0.222 nan 8.300 nan 0.000 0.539 599 I N 0.150 120.788 120.570 0.113 0.000 2.957 599 I HA 0.950 5.125 4.170 0.007 0.000 0.310 599 I C -0.416 175.716 176.117 0.025 0.000 1.063 599 I CA -1.404 59.932 61.300 0.060 0.000 1.033 599 I CB 1.823 39.823 38.000 0.001 0.000 1.230 599 I HN 0.433 nan 8.210 nan 0.000 0.447 600 A N 2.371 125.208 122.820 0.029 0.000 2.322 600 A HA 0.405 4.729 4.320 0.007 0.000 0.269 600 A C -0.054 177.523 177.584 -0.012 0.000 1.094 600 A CA -0.257 51.791 52.037 0.018 0.000 0.807 600 A CB 0.595 19.652 19.000 0.095 0.000 1.047 600 A HN 0.829 nan 8.150 nan 0.000 0.487 601 E N 0.584 120.719 120.200 -0.107 0.000 2.418 601 E HA 0.218 4.572 4.350 0.007 0.000 0.261 601 E C -0.359 176.259 176.600 0.030 0.000 1.070 601 E CA 0.078 56.388 56.400 -0.149 0.000 0.931 601 E CB 0.297 29.728 29.700 -0.449 0.000 0.954 601 E HN 0.557 nan 8.360 nan 0.000 0.439 602 E N 1.302 121.534 120.200 0.053 0.000 2.502 602 E HA 0.226 4.580 4.350 0.007 0.000 0.261 602 E C 0.900 177.661 176.600 0.268 0.000 0.974 602 E CA 1.535 58.007 56.400 0.120 0.000 0.936 602 E CB 0.188 29.936 29.700 0.079 0.000 0.926 602 E HN 0.766 nan 8.360 nan 0.000 0.459 603 G N 0.799 109.728 108.800 0.215 0.000 2.179 603 G HA2 -0.260 3.704 3.960 0.007 0.000 0.260 603 G HA3 -0.260 3.704 3.960 0.007 0.000 0.260 603 G C -0.518 174.488 174.900 0.176 0.000 0.977 603 G CA 0.108 45.319 45.100 0.185 0.000 0.641 603 G HN 0.369 nan 8.290 nan 0.000 0.533 604 W N -0.889 120.402 121.300 -0.015 0.000 2.967 604 W HA 0.855 5.518 4.660 0.006 0.000 0.342 604 W C 0.122 176.631 176.519 -0.016 0.000 1.162 604 W CA -1.108 56.226 57.345 -0.018 0.000 1.085 604 W CB 1.018 30.465 29.460 -0.020 0.000 1.460 604 W HN 0.078 nan 8.180 nan 0.000 0.584 605 L N 1.397 122.765 121.223 0.241 0.000 2.434 605 L HA 0.494 4.838 4.340 0.007 0.000 0.260 605 L C -0.781 176.160 176.870 0.120 0.000 0.983 605 L CA -1.077 53.842 54.840 0.131 0.000 0.820 605 L CB 1.887 43.984 42.059 0.064 0.000 1.361 605 L HN 0.117 nan 8.230 nan 0.000 0.410 606 L N 2.500 123.768 121.223 0.075 0.000 2.326 606 L HA 0.515 4.859 4.340 0.007 0.000 0.278 606 L C -0.663 176.219 176.870 0.021 0.000 1.092 606 L CA -0.733 54.126 54.840 0.032 0.000 0.810 606 L CB 1.670 43.732 42.059 0.005 0.000 1.153 606 L HN 0.236 nan 8.230 nan 0.000 0.439 607 V N 2.565 122.476 119.914 -0.004 0.000 2.407 607 V HA 0.594 4.719 4.120 0.007 0.000 0.291 607 V C 0.057 176.137 176.094 -0.024 0.000 1.018 607 V CA -0.532 61.766 62.300 -0.003 0.000 0.842 607 V CB 1.536 33.356 31.823 -0.005 0.000 0.996 607 V HN 0.845 nan 8.190 nan 0.000 0.426 608 A N 6.407 129.232 122.820 0.008 0.000 2.287 608 A HA 0.933 5.257 4.320 0.007 0.000 0.317 608 A C -1.022 176.575 177.584 0.023 0.000 1.220 608 A CA -0.404 51.649 52.037 0.027 0.000 0.835 608 A CB 0.717 19.797 19.000 0.133 0.000 1.180 608 A HN 0.740 nan 8.150 nan 0.000 0.500 609 L N 2.099 123.318 121.223 -0.007 0.000 2.362 609 L HA 0.664 5.008 4.340 0.007 0.000 0.271 609 L C -0.593 176.247 176.870 -0.050 0.000 1.002 609 L CA -0.343 54.467 54.840 -0.050 0.000 0.818 609 L CB 2.174 44.169 42.059 -0.108 0.000 1.298 609 L HN 0.675 nan 8.230 nan 0.000 0.420 610 D N 0.972 121.336 120.400 -0.060 0.000 2.970 610 D HA 0.226 4.870 4.640 0.007 0.000 0.230 610 D C -1.242 175.056 176.300 -0.004 0.000 1.276 610 D CA -0.502 53.496 54.000 -0.003 0.000 0.910 610 D CB 1.130 41.980 40.800 0.084 0.000 1.590 610 D HN 0.188 nan 8.370 nan 0.000 0.551 611 Y N 1.352 121.696 120.300 0.072 0.000 2.620 611 Y HA 0.115 4.668 4.550 0.005 0.000 0.330 611 Y C 1.436 177.385 175.900 0.081 0.000 1.186 611 Y CA 0.488 58.623 58.100 0.058 0.000 1.467 611 Y CB 0.737 39.221 38.460 0.041 0.000 1.262 611 Y HN 0.166 nan 8.280 nan 0.000 0.550 612 S N 3.392 119.233 115.700 0.236 0.000 2.505 612 S HA 0.075 4.549 4.470 0.007 0.000 0.276 612 S C 0.138 174.850 174.600 0.186 0.000 1.274 612 S CA -0.490 57.826 58.200 0.194 0.000 1.053 612 S CB 0.016 63.304 63.200 0.148 0.000 0.919 612 S HN 0.798 nan 8.310 nan 0.000 0.490 613 Q N 2.327 122.292 119.800 0.276 0.000 2.407 613 Q HA -0.248 4.096 4.340 0.007 0.000 0.277 613 Q C 0.809 176.940 176.000 0.218 0.000 1.161 613 Q CA 0.604 56.597 55.803 0.317 0.000 0.924 613 Q CB -1.622 27.217 28.738 0.168 0.000 1.318 613 Q HN 0.828 nan 8.270 nan 0.000 0.513 614 I N 0.920 121.605 120.570 0.193 0.000 2.103 614 I HA -0.364 3.811 4.170 0.007 0.000 0.241 614 I C 1.919 178.033 176.117 -0.004 0.000 1.036 614 I CA 2.481 63.808 61.300 0.044 0.000 1.300 614 I CB -0.087 37.945 38.000 0.054 0.000 1.010 614 I HN 0.325 nan 8.210 nan 0.000 0.406 615 E N -0.452 119.796 120.200 0.080 0.000 2.409 615 E HA -0.131 4.223 4.350 0.007 0.000 0.198 615 E C 2.203 178.890 176.600 0.146 0.000 1.024 615 E CA 0.636 57.069 56.400 0.054 0.000 0.861 615 E CB -0.103 29.554 29.700 -0.071 0.000 0.788 615 E HN 0.559 nan 8.360 nan 0.000 0.521 616 L N -0.150 121.204 121.223 0.218 0.000 2.127 616 L HA -0.047 4.297 4.340 0.007 0.000 0.203 616 L C 2.351 179.206 176.870 -0.026 0.000 1.080 616 L CA 0.718 55.659 54.840 0.167 0.000 0.768 616 L CB -0.206 42.013 42.059 0.266 0.000 0.924 616 L HN 0.018 nan 8.230 nan 0.000 0.444 617 R N -0.372 119.917 120.500 -0.352 0.000 2.096 617 R HA -0.117 4.227 4.340 0.007 0.000 0.235 617 R C 2.231 178.363 176.300 -0.280 0.000 1.127 617 R CA 1.055 56.759 56.100 -0.659 0.000 0.968 617 R CB -0.471 29.379 30.300 -0.749 0.000 0.861 617 R HN 0.157 nan 8.270 nan 0.000 0.440 618 V N 1.342 121.135 119.914 -0.202 0.000 2.307 618 V HA -0.221 3.903 4.120 0.007 0.000 0.245 618 V C 2.176 178.178 176.094 -0.153 0.000 1.045 618 V CA 1.502 63.704 62.300 -0.163 0.000 1.024 618 V CB -0.453 31.277 31.823 -0.155 0.000 0.651 618 V HN 0.233 nan 8.190 nan 0.000 0.449 619 L N 0.977 122.107 121.223 -0.155 0.000 2.079 619 L HA -0.136 4.208 4.340 0.007 0.000 0.210 619 L C 2.427 179.149 176.870 -0.246 0.000 1.081 619 L CA 2.404 57.093 54.840 -0.252 0.000 0.752 619 L CB -0.952 41.024 42.059 -0.138 0.000 0.896 619 L HN 0.234 nan 8.230 nan 0.000 0.433 620 A N -1.550 121.197 122.820 -0.123 0.000 1.902 620 A HA -0.287 4.038 4.320 0.007 0.000 0.217 620 A C 2.428 179.963 177.584 -0.082 0.000 1.181 620 A CA 1.768 53.762 52.037 -0.071 0.000 0.623 620 A CB -1.059 17.982 19.000 0.069 0.000 0.818 620 A HN 0.721 nan 8.150 nan 0.000 0.443 621 H N -0.198 118.781 119.070 -0.151 0.000 2.395 621 H HA 0.050 4.610 4.556 0.006 0.000 0.299 621 H C 1.857 177.089 175.328 -0.159 0.000 1.070 621 H CA 1.614 57.587 56.048 -0.124 0.000 1.356 621 H CB -0.052 29.644 29.762 -0.110 0.000 1.401 621 H HN 0.426 nan 8.280 nan 0.000 0.524 622 L N 0.354 121.464 121.223 -0.188 0.000 2.095 622 L HA -0.115 4.230 4.340 0.007 0.000 0.204 622 L C 2.867 179.436 176.870 -0.501 0.000 1.080 622 L CA 1.317 55.945 54.840 -0.354 0.000 0.759 622 L CB -0.346 41.329 42.059 -0.639 0.000 0.914 622 L HN 0.291 nan 8.230 nan 0.000 0.439 623 S N -0.725 114.647 115.700 -0.547 0.000 2.446 623 S HA 0.039 4.513 4.470 0.007 0.000 0.225 623 S C 1.667 176.221 174.600 -0.077 0.000 1.016 623 S CA 0.560 58.598 58.200 -0.271 0.000 0.943 623 S CB 0.110 63.205 63.200 -0.175 0.000 0.786 623 S HN 0.516 nan 8.310 nan 0.000 0.508 624 G N 1.600 110.325 108.800 -0.125 0.000 2.148 624 G HA2 -0.257 3.707 3.960 0.007 0.000 0.254 624 G HA3 -0.257 3.707 3.960 0.007 0.000 0.254 624 G C -0.234 174.645 174.900 -0.036 0.000 0.981 624 G CA 0.250 45.299 45.100 -0.085 0.000 0.670 624 G HN 0.672 nan 8.290 nan 0.000 0.528 625 D N 1.309 121.693 120.400 -0.027 0.000 2.349 625 D HA 0.121 4.765 4.640 0.007 0.000 0.266 625 D C 1.862 178.165 176.300 0.006 0.000 1.293 625 D CA 0.340 54.346 54.000 0.011 0.000 0.926 625 D CB 0.504 41.322 40.800 0.031 0.000 1.090 625 D HN 0.551 nan 8.370 nan 0.000 0.502 626 E N 2.800 123.007 120.200 0.013 0.000 2.160 626 E HA -0.279 4.075 4.350 0.007 0.000 0.195 626 E C 1.602 178.212 176.600 0.016 0.000 0.991 626 E CA 1.419 57.824 56.400 0.009 0.000 0.810 626 E CB -1.144 28.559 29.700 0.006 0.000 0.742 626 E HN 0.634 nan 8.360 nan 0.000 0.466 627 N N 1.728 120.453 118.700 0.042 0.000 2.188 627 N HA -0.083 4.661 4.740 0.007 0.000 0.184 627 N C 2.034 177.584 175.510 0.066 0.000 1.018 627 N CA 1.463 54.551 53.050 0.063 0.000 0.858 627 N CB -0.604 37.942 38.487 0.098 0.000 0.989 627 N HN 0.143 nan 8.380 nan 0.000 0.426 628 L N 0.915 122.150 121.223 0.020 0.000 2.131 628 L HA 0.208 4.552 4.340 0.007 0.000 0.206 628 L C 2.337 179.122 176.870 -0.142 0.000 1.087 628 L CA 1.143 55.839 54.840 -0.240 0.000 0.767 628 L CB -0.297 41.500 42.059 -0.436 0.000 0.917 628 L HN 0.648 nan 8.230 nan 0.000 0.441 629 I N -2.839 117.728 120.570 -0.004 0.000 2.546 629 I HA -0.127 4.047 4.170 0.007 0.000 0.255 629 I C 2.599 178.746 176.117 0.050 0.000 1.163 629 I CA 1.192 62.550 61.300 0.097 0.000 1.457 629 I CB -0.810 37.226 38.000 0.060 0.000 1.092 629 I HN 0.134 nan 8.210 nan 0.000 0.434 630 R N 1.530 122.021 120.500 -0.016 0.000 2.115 630 R HA 0.022 4.366 4.340 0.007 0.000 0.230 630 R C 2.166 178.413 176.300 -0.089 0.000 1.111 630 R CA 1.803 57.886 56.100 -0.029 0.000 0.976 630 R CB -1.991 28.294 30.300 -0.025 0.000 0.870 630 R HN 0.437 nan 8.270 nan 0.000 0.445 631 V N 0.314 120.102 119.914 -0.211 0.000 2.252 631 V HA -0.254 3.870 4.120 0.007 0.000 0.249 631 V C 2.395 178.249 176.094 -0.400 0.000 1.056 631 V CA 2.231 64.299 62.300 -0.386 0.000 1.022 631 V CB -0.713 30.688 31.823 -0.704 0.000 0.641 631 V HN 0.561 nan 8.190 nan 0.000 0.445 632 F N -0.039 119.876 119.950 -0.057 0.000 2.187 632 F HA -0.071 4.463 4.527 0.012 0.000 0.295 632 F C 2.594 178.380 175.800 -0.022 0.000 1.091 632 F CA 1.109 59.083 58.000 -0.043 0.000 1.308 632 F CB -0.945 38.026 39.000 -0.049 0.000 1.030 632 F HN 0.093 nan 8.300 nan 0.000 0.487 633 Q N 0.076 119.958 119.800 0.136 0.000 2.297 633 Q HA -0.158 4.186 4.340 0.007 0.000 0.208 633 Q C 1.729 177.754 176.000 0.041 0.000 0.981 633 Q CA 1.516 57.365 55.803 0.078 0.000 0.876 633 Q CB -0.316 28.452 28.738 0.050 0.000 0.921 633 Q HN 0.647 nan 8.270 nan 0.000 0.446 634 E N -0.297 119.911 120.200 0.013 0.000 2.465 634 E HA 0.284 4.639 4.350 0.007 0.000 0.195 634 E C 0.989 177.589 176.600 -0.000 0.000 1.028 634 E CA 0.396 56.793 56.400 -0.005 0.000 0.899 634 E CB -0.201 29.480 29.700 -0.032 0.000 1.032 634 E HN 0.446 nan 8.360 nan 0.000 0.468 635 G N 0.963 109.782 108.800 0.031 0.000 2.233 635 G HA2 -0.333 3.631 3.960 0.007 0.000 0.270 635 G HA3 -0.333 3.631 3.960 0.007 0.000 0.270 635 G C 0.670 175.580 174.900 0.018 0.000 1.011 635 G CA 0.669 45.797 45.100 0.046 0.000 0.762 635 G HN 0.552 nan 8.290 nan 0.000 0.511 636 R N -0.320 120.154 120.500 -0.044 0.000 2.652 636 R HA 0.498 4.842 4.340 0.007 0.000 0.272 636 R C -0.602 175.655 176.300 -0.073 0.000 1.162 636 R CA -0.160 55.893 56.100 -0.078 0.000 1.199 636 R CB 0.452 30.666 30.300 -0.144 0.000 1.166 636 R HN 0.211 nan 8.270 nan 0.000 0.597 637 D N 0.557 120.912 120.400 -0.076 0.000 2.479 637 D HA 0.116 4.760 4.640 0.007 0.000 0.246 637 D C 0.368 176.603 176.300 -0.107 0.000 1.336 637 D CA -0.412 53.549 54.000 -0.064 0.000 0.967 637 D CB 1.166 41.976 40.800 0.017 0.000 1.275 637 D HN 0.233 nan 8.370 nan 0.000 0.577 638 I N 3.172 123.609 120.570 -0.221 0.000 2.361 638 I HA -0.205 3.970 4.170 0.007 0.000 0.251 638 I C 2.127 178.205 176.117 -0.066 0.000 1.133 638 I CA 1.036 62.222 61.300 -0.190 0.000 1.413 638 I CB -0.416 37.414 38.000 -0.283 0.000 1.073 638 I HN 0.515 nan 8.210 nan 0.000 0.424 639 H N -0.126 118.950 119.070 0.010 0.000 2.326 639 H HA -0.043 4.518 4.556 0.007 0.000 0.301 639 H C 2.347 177.713 175.328 0.064 0.000 1.081 639 H CA 1.894 57.958 56.048 0.026 0.000 1.334 639 H CB -1.058 28.717 29.762 0.023 0.000 1.385 639 H HN 0.258 nan 8.280 nan 0.000 0.504 640 T N 1.165 115.820 114.554 0.170 0.000 2.746 640 T HA -0.112 4.242 4.350 0.007 0.000 0.267 640 T C 1.911 176.684 174.700 0.122 0.000 1.039 640 T CA 1.327 63.499 62.100 0.121 0.000 1.142 640 T CB -0.045 68.870 68.868 0.079 0.000 0.866 640 T HN 0.465 nan 8.240 nan 0.000 0.444 641 E N 0.449 120.709 120.200 0.099 0.000 2.077 641 E HA -0.104 4.251 4.350 0.007 0.000 0.193 641 E C 2.449 179.165 176.600 0.193 0.000 0.989 641 E CA 1.349 57.814 56.400 0.108 0.000 0.800 641 E CB -0.177 29.549 29.700 0.043 0.000 0.746 641 E HN 0.352 nan 8.360 nan 0.000 0.452 642 T N 0.710 115.396 114.554 0.219 0.000 2.821 642 T HA -0.118 4.236 4.350 0.007 0.000 0.267 642 T C 1.934 176.842 174.700 0.346 0.000 1.046 642 T CA 1.068 63.358 62.100 0.316 0.000 1.139 642 T CB -0.171 68.887 68.868 0.318 0.000 0.871 642 T HN 0.239 nan 8.240 nan 0.000 0.454 643 A N 1.026 124.018 122.820 0.286 0.000 1.883 643 A HA -0.114 4.210 4.320 0.007 0.000 0.217 643 A C 2.558 180.350 177.584 0.347 0.000 1.186 643 A CA 2.164 54.400 52.037 0.332 0.000 0.624 643 A CB -1.181 17.945 19.000 0.211 0.000 0.822 643 A HN 0.450 nan 8.150 nan 0.000 0.444 644 S N -1.741 114.107 115.700 0.248 0.000 2.365 644 S HA -0.252 4.223 4.470 0.007 0.000 0.225 644 S C 1.669 176.407 174.600 0.229 0.000 1.039 644 S CA 1.957 60.279 58.200 0.204 0.000 1.033 644 S CB -0.525 62.772 63.200 0.161 0.000 0.887 644 S HN 0.753 nan 8.310 nan 0.000 0.447 645 W N 1.572 122.926 121.300 0.090 0.000 2.354 645 W HA -0.107 4.552 4.660 -0.003 0.000 0.315 645 W C 2.248 178.763 176.519 -0.007 0.000 1.206 645 W CA 1.905 59.279 57.345 0.048 0.000 1.290 645 W CB -0.635 28.863 29.460 0.063 0.000 1.152 645 W HN 0.282 nan 8.180 nan 0.000 0.489 646 M N -0.705 118.883 119.600 -0.020 0.000 2.073 646 M HA -0.243 4.241 4.480 0.007 0.000 0.258 646 M C 1.720 177.675 176.300 -0.575 0.000 1.070 646 M CA 1.977 57.011 55.300 -0.443 0.000 1.103 646 M CB -0.933 31.517 32.600 -0.251 0.000 1.321 646 M HN -0.046 nan 8.290 nan 0.000 0.405 647 F N -0.393 119.459 119.950 -0.163 0.000 2.765 647 F HA 0.312 4.841 4.527 0.004 0.000 0.302 647 F C 1.515 177.235 175.800 -0.132 0.000 1.111 647 F CA 0.249 58.169 58.000 -0.133 0.000 1.359 647 F CB -0.555 38.404 39.000 -0.069 0.000 1.097 647 F HN 0.317 nan 8.300 nan 0.000 0.577 648 G N 1.773 110.557 108.800 -0.027 0.000 2.333 648 G HA2 -0.075 3.889 3.960 0.007 0.000 0.296 648 G HA3 -0.075 3.889 3.960 0.007 0.000 0.296 648 G C -0.324 174.595 174.900 0.032 0.000 1.059 648 G CA 0.290 45.367 45.100 -0.038 0.000 1.050 648 G HN 0.639 nan 8.290 nan 0.000 0.508 649 V N -3.063 116.893 119.914 0.069 0.000 2.971 649 V HA 0.930 5.054 4.120 0.007 0.000 0.309 649 V C -2.137 173.990 176.094 0.055 0.000 1.130 649 V CA -2.452 59.881 62.300 0.054 0.000 0.964 649 V CB 2.503 34.354 31.823 0.047 0.000 1.029 649 V HN 0.196 nan 8.190 nan 0.000 0.427 650 P HA 0.186 nan 4.420 nan 0.000 0.267 650 P C 0.220 177.542 177.300 0.038 0.000 1.200 650 P CA -0.017 63.106 63.100 0.038 0.000 0.772 650 P CB 1.039 32.754 31.700 0.025 0.000 0.855 651 R N 2.659 123.186 120.500 0.044 0.000 2.168 651 R HA -0.239 4.105 4.340 0.007 0.000 0.242 651 R C 2.084 178.398 176.300 0.024 0.000 1.123 651 R CA 2.552 58.677 56.100 0.042 0.000 0.928 651 R CB -1.708 28.615 30.300 0.038 0.000 0.873 651 R HN 0.677 nan 8.270 nan 0.000 0.434 652 E N 0.036 120.247 120.200 0.018 0.000 2.516 652 E HA -0.145 4.209 4.350 0.007 0.000 0.206 652 E C 0.902 177.502 176.600 -0.001 0.000 1.107 652 E CA 1.067 57.472 56.400 0.009 0.000 0.903 652 E CB -0.104 29.601 29.700 0.009 0.000 0.838 652 E HN 0.462 nan 8.360 nan 0.000 0.574 653 A N 0.727 123.544 122.820 -0.005 0.000 2.382 653 A HA 0.232 4.557 4.320 0.007 0.000 0.228 653 A C 0.721 178.273 177.584 -0.054 0.000 1.217 653 A CA -0.385 51.639 52.037 -0.022 0.000 0.923 653 A CB 0.663 19.655 19.000 -0.014 0.000 0.979 653 A HN 0.116 nan 8.150 nan 0.000 0.515 654 V N 3.612 123.497 119.914 -0.047 0.000 2.521 654 V HA 0.125 4.250 4.120 0.007 0.000 0.286 654 V C 0.027 176.068 176.094 -0.089 0.000 1.034 654 V CA -0.294 61.952 62.300 -0.090 0.000 1.045 654 V CB 0.513 32.318 31.823 -0.030 0.000 0.974 654 V HN 0.646 nan 8.190 nan 0.000 0.480 655 D N 5.764 126.078 120.400 -0.142 0.000 2.437 655 D HA 0.310 4.954 4.640 0.007 0.000 0.259 655 D C -2.193 174.057 176.300 -0.083 0.000 1.118 655 D CA -1.983 51.958 54.000 -0.099 0.000 1.017 655 D CB 1.731 42.466 40.800 -0.109 0.000 1.120 655 D HN 0.158 nan 8.370 nan 0.000 0.541 656 P HA -0.057 nan 4.420 nan 0.000 0.218 656 P C 1.668 178.943 177.300 -0.041 0.000 1.148 656 P CA 1.016 64.098 63.100 -0.029 0.000 0.822 656 P CB 0.169 31.859 31.700 -0.017 0.000 0.784 657 L N -2.256 118.929 121.223 -0.064 0.000 2.056 657 L HA -0.118 4.226 4.340 0.007 0.000 0.207 657 L C 2.466 179.293 176.870 -0.072 0.000 1.078 657 L CA 1.446 56.252 54.840 -0.058 0.000 0.749 657 L CB -0.701 41.321 42.059 -0.060 0.000 0.901 657 L HN -0.008 nan 8.230 nan 0.000 0.433 658 M N -0.850 118.637 119.600 -0.188 0.000 2.132 658 M HA -0.202 4.282 4.480 0.007 0.000 0.263 658 M C 2.459 178.739 176.300 -0.033 0.000 1.065 658 M CA 1.567 56.680 55.300 -0.312 0.000 1.122 658 M CB -0.348 31.783 32.600 -0.781 0.000 1.365 658 M HN 0.121 nan 8.290 nan 0.000 0.411 659 R N 0.517 120.999 120.500 -0.030 0.000 2.096 659 R HA -0.170 4.175 4.340 0.007 0.000 0.235 659 R C 2.258 178.569 176.300 0.019 0.000 1.127 659 R CA 1.674 57.797 56.100 0.038 0.000 0.968 659 R CB -0.164 30.161 30.300 0.042 0.000 0.861 659 R HN 0.240 nan 8.270 nan 0.000 0.440 660 R N 0.095 120.596 120.500 0.001 0.000 2.096 660 R HA -0.106 4.238 4.340 0.007 0.000 0.235 660 R C 2.038 178.349 176.300 0.019 0.000 1.127 660 R CA 1.626 57.721 56.100 -0.008 0.000 0.968 660 R CB -0.343 29.956 30.300 -0.002 0.000 0.861 660 R HN 0.303 nan 8.270 nan 0.000 0.440 661 A N 0.682 123.546 122.820 0.073 0.000 1.902 661 A HA -0.077 4.247 4.320 0.007 0.000 0.217 661 A C 2.391 180.034 177.584 0.100 0.000 1.181 661 A CA 1.619 53.724 52.037 0.114 0.000 0.623 661 A CB -0.886 18.249 19.000 0.226 0.000 0.818 661 A HN 0.549 nan 8.150 nan 0.000 0.443 662 A N -0.341 122.553 122.820 0.122 0.000 2.019 662 A HA -0.137 4.187 4.320 0.007 0.000 0.219 662 A C 2.077 179.675 177.584 0.023 0.000 1.164 662 A CA 1.698 53.805 52.037 0.117 0.000 0.644 662 A CB -0.373 18.737 19.000 0.184 0.000 0.805 662 A HN 0.558 nan 8.150 nan 0.000 0.449 663 K N -0.479 119.845 120.400 -0.127 0.000 2.057 663 K HA -0.126 4.198 4.320 0.007 0.000 0.206 663 K C 2.310 178.863 176.600 -0.079 0.000 1.050 663 K CA 1.798 57.874 56.287 -0.353 0.000 0.935 663 K CB -0.462 31.771 32.500 -0.445 0.000 0.715 663 K HN 0.742 nan 8.250 nan 0.000 0.439 664 T N 0.418 115.001 114.554 0.049 0.000 2.746 664 T HA -0.121 4.233 4.350 0.007 0.000 0.267 664 T C 1.940 176.710 174.700 0.116 0.000 1.039 664 T CA 0.849 63.029 62.100 0.133 0.000 1.142 664 T CB -0.197 68.733 68.868 0.102 0.000 0.866 664 T HN -0.070 nan 8.240 nan 0.000 0.444 665 I N 2.799 123.412 120.570 0.072 0.000 2.142 665 I HA -0.111 4.063 4.170 0.007 0.000 0.240 665 I C 2.514 178.688 176.117 0.095 0.000 1.078 665 I CA 1.107 62.452 61.300 0.075 0.000 1.343 665 I CB -1.448 36.579 38.000 0.045 0.000 1.046 665 I HN 0.305 nan 8.210 nan 0.000 0.405 666 N N 0.920 119.667 118.700 0.078 0.000 2.069 666 N HA -0.185 4.559 4.740 0.007 0.000 0.191 666 N C 2.017 177.508 175.510 -0.032 0.000 1.031 666 N CA 1.503 54.603 53.050 0.084 0.000 0.852 666 N CB -0.589 37.904 38.487 0.010 0.000 1.018 666 N HN 0.351 nan 8.380 nan 0.000 0.423 667 F N 0.739 120.760 119.950 0.118 0.000 2.325 667 F HA 0.014 4.547 4.527 0.011 0.000 0.299 667 F C 2.529 178.352 175.800 0.039 0.000 1.090 667 F CA 0.405 58.415 58.000 0.018 0.000 1.392 667 F CB -0.324 38.760 39.000 0.140 0.000 1.053 667 F HN 0.099 nan 8.300 nan 0.000 0.521 668 G N 0.121 109.062 108.800 0.235 0.000 2.421 668 G HA2 -0.192 3.772 3.960 0.007 0.000 0.216 668 G HA3 -0.192 3.772 3.960 0.007 0.000 0.216 668 G C 1.703 176.684 174.900 0.134 0.000 1.171 668 G CA 1.064 46.280 45.100 0.193 0.000 0.775 668 G HN 0.192 nan 8.290 nan 0.000 0.543 669 V N 0.908 120.826 119.914 0.006 0.000 2.358 669 V HA -0.092 4.032 4.120 0.007 0.000 0.246 669 V C 2.660 178.701 176.094 -0.089 0.000 1.047 669 V CA 1.424 63.651 62.300 -0.121 0.000 1.035 669 V CB -0.491 31.059 31.823 -0.454 0.000 0.658 669 V HN 0.372 nan 8.190 nan 0.000 0.452 670 L N -0.573 120.521 121.223 -0.214 0.000 1.971 670 L HA -0.251 4.093 4.340 0.007 0.000 0.215 670 L C 2.322 179.398 176.870 0.343 0.000 1.072 670 L CA 2.239 57.081 54.840 0.004 0.000 0.758 670 L CB -0.368 41.601 42.059 -0.151 0.000 0.889 670 L HN 0.361 nan 8.230 nan 0.000 0.433 671 Y N -0.632 119.932 120.300 0.441 0.000 2.553 671 Y HA 0.060 4.616 4.550 0.009 0.000 0.303 671 Y C 1.586 177.707 175.900 0.369 0.000 1.194 671 Y CA 0.132 58.489 58.100 0.428 0.000 1.305 671 Y CB 0.182 38.763 38.460 0.202 0.000 1.045 671 Y HN 0.535 nan 8.280 nan 0.000 0.514 672 G N 0.107 109.187 108.800 0.467 0.000 2.227 672 G HA2 -0.253 3.711 3.960 0.007 0.000 0.168 672 G HA3 -0.253 3.711 3.960 0.007 0.000 0.168 672 G C 0.262 175.289 174.900 0.212 0.000 1.006 672 G CA -0.251 45.051 45.100 0.336 0.000 0.684 672 G HN 0.250 nan 8.290 nan 0.000 0.489 673 M N 2.774 122.485 119.600 0.186 0.000 2.235 673 M HA 0.413 4.898 4.480 0.007 0.000 0.336 673 M C 1.129 177.501 176.300 0.120 0.000 1.146 673 M CA 0.867 56.248 55.300 0.135 0.000 1.018 673 M CB 0.492 33.160 32.600 0.114 0.000 1.694 673 M HN 0.767 nan 8.290 nan 0.000 0.451 674 S N 4.186 119.953 115.700 0.112 0.000 2.610 674 S HA 0.534 5.008 4.470 0.007 0.000 0.273 674 S C 0.970 175.627 174.600 0.095 0.000 1.274 674 S CA -0.445 57.828 58.200 0.121 0.000 1.023 674 S CB 1.483 64.784 63.200 0.168 0.000 0.962 674 S HN 0.881 nan 8.310 nan 0.000 0.523 675 A N 1.410 124.258 122.820 0.046 0.000 1.917 675 A HA -0.181 4.143 4.320 0.007 0.000 0.219 675 A C 2.077 179.660 177.584 -0.002 0.000 1.182 675 A CA 2.341 54.305 52.037 -0.121 0.000 0.633 675 A CB -1.706 16.991 19.000 -0.505 0.000 0.819 675 A HN 1.121 nan 8.150 nan 0.000 0.448 676 H N 0.066 119.232 119.070 0.159 0.000 2.289 676 H HA -0.171 4.389 4.556 0.007 0.000 0.296 676 H C 2.185 177.608 175.328 0.159 0.000 1.091 676 H CA 2.337 58.570 56.048 0.308 0.000 1.274 676 H CB -0.337 29.609 29.762 0.307 0.000 1.364 676 H HN 0.495 nan 8.280 nan 0.000 0.490 677 R N -0.077 120.380 120.500 -0.071 0.000 2.081 677 R HA -0.078 4.266 4.340 0.007 0.000 0.235 677 R C 2.648 178.916 176.300 -0.052 0.000 1.131 677 R CA 1.401 57.417 56.100 -0.140 0.000 0.960 677 R CB -0.461 29.815 30.300 -0.040 0.000 0.856 677 R HN 0.490 nan 8.270 nan 0.000 0.436 678 L N 0.857 122.082 121.223 0.004 0.000 2.046 678 L HA -0.183 4.161 4.340 0.007 0.000 0.208 678 L C 2.463 179.339 176.870 0.009 0.000 1.077 678 L CA 1.996 56.844 54.840 0.014 0.000 0.747 678 L CB -0.355 41.727 42.059 0.038 0.000 0.896 678 L HN 0.430 nan 8.230 nan 0.000 0.432 679 S N -1.275 114.442 115.700 0.028 0.000 2.368 679 S HA -0.287 4.187 4.470 0.007 0.000 0.224 679 S C 1.898 176.517 174.600 0.033 0.000 1.029 679 S CA 1.266 59.500 58.200 0.056 0.000 0.988 679 S CB -0.491 62.794 63.200 0.142 0.000 0.838 679 S HN 0.555 nan 8.310 nan 0.000 0.462 680 Q N 1.065 120.866 119.800 0.002 0.000 2.002 680 Q HA -0.184 4.161 4.340 0.007 0.000 0.204 680 Q C 2.368 178.351 176.000 -0.028 0.000 0.988 680 Q CA 2.026 57.813 55.803 -0.027 0.000 0.843 680 Q CB -0.245 28.422 28.738 -0.119 0.000 0.908 680 Q HN 0.740 nan 8.270 nan 0.000 0.420 681 E N 0.139 120.317 120.200 -0.036 0.000 2.049 681 E HA -0.216 4.138 4.350 0.007 0.000 0.198 681 E C 2.076 178.645 176.600 -0.051 0.000 1.007 681 E CA 1.291 57.672 56.400 -0.032 0.000 0.809 681 E CB -0.191 29.497 29.700 -0.021 0.000 0.749 681 E HN 0.383 nan 8.360 nan 0.000 0.450 682 L N -0.334 120.852 121.223 -0.061 0.000 2.291 682 L HA -0.011 4.334 4.340 0.007 0.000 0.214 682 L C 1.170 177.971 176.870 -0.116 0.000 1.120 682 L CA 0.461 55.233 54.840 -0.115 0.000 0.799 682 L CB -0.329 41.660 42.059 -0.116 0.000 0.925 682 L HN 0.180 nan 8.230 nan 0.000 0.446 683 A N 0.645 123.427 122.820 -0.063 0.000 3.115 683 A HA -0.180 4.145 4.320 0.007 0.000 0.255 683 A C 0.305 177.863 177.584 -0.044 0.000 1.380 683 A CA 0.942 52.952 52.037 -0.046 0.000 0.806 683 A CB -2.507 16.456 19.000 -0.062 0.000 1.044 683 A HN 0.532 nan 8.150 nan 0.000 0.589 684 I N -3.877 116.679 120.570 -0.023 0.000 3.133 684 I HA 0.884 5.058 4.170 0.007 0.000 0.311 684 I C -2.483 173.667 176.117 0.054 0.000 1.072 684 I CA -3.340 57.956 61.300 -0.006 0.000 1.015 684 I CB 1.069 39.059 38.000 -0.017 0.000 1.233 684 I HN -0.020 nan 8.210 nan 0.000 0.473 685 P HA 0.027 nan 4.420 nan 0.000 0.270 685 P C -0.182 177.218 177.300 0.167 0.000 1.223 685 P CA 0.070 63.241 63.100 0.119 0.000 0.785 685 P CB 0.316 32.077 31.700 0.102 0.000 0.923 686 Y N 1.843 122.192 120.300 0.083 0.000 2.128 686 Y HA -0.298 4.257 4.550 0.008 0.000 0.284 686 Y C 2.588 178.547 175.900 0.098 0.000 1.154 686 Y CA 2.796 60.956 58.100 0.100 0.000 1.149 686 Y CB -0.914 37.599 38.460 0.088 0.000 0.976 686 Y HN 0.458 nan 8.280 nan 0.000 0.505 687 E N 0.250 120.571 120.200 0.203 0.000 2.110 687 E HA -0.181 4.174 4.350 0.007 0.000 0.193 687 E C 1.965 178.607 176.600 0.071 0.000 0.988 687 E CA 1.850 58.320 56.400 0.116 0.000 0.804 687 E CB -1.388 28.398 29.700 0.142 0.000 0.745 687 E HN 0.744 nan 8.360 nan 0.000 0.458 688 E N 0.164 120.425 120.200 0.102 0.000 2.106 688 E HA 0.253 4.607 4.350 0.007 0.000 0.192 688 E C 2.438 179.142 176.600 0.173 0.000 0.984 688 E CA 1.640 58.131 56.400 0.151 0.000 0.806 688 E CB -0.743 29.052 29.700 0.159 0.000 0.750 688 E HN 0.867 nan 8.360 nan 0.000 0.458 689 A N -0.128 122.748 122.820 0.093 0.000 1.929 689 A HA -0.098 4.226 4.320 0.007 0.000 0.216 689 A C 2.296 179.891 177.584 0.018 0.000 1.176 689 A CA 1.687 53.772 52.037 0.079 0.000 0.628 689 A CB -0.231 18.770 19.000 0.002 0.000 0.816 689 A HN 0.502 nan 8.150 nan 0.000 0.444 690 Q N -0.601 119.129 119.800 -0.117 0.000 2.167 690 Q HA -0.098 4.247 4.340 0.007 0.000 0.202 690 Q C 2.160 178.149 176.000 -0.019 0.000 0.970 690 Q CA 1.306 57.029 55.803 -0.135 0.000 0.855 690 Q CB -0.274 28.334 28.738 -0.216 0.000 0.911 690 Q HN 0.645 nan 8.270 nan 0.000 0.438 691 A N 0.048 122.883 122.820 0.024 0.000 1.898 691 A HA -0.167 4.157 4.320 0.007 0.000 0.216 691 A C 1.787 179.368 177.584 -0.004 0.000 1.181 691 A CA 1.027 53.080 52.037 0.027 0.000 0.620 691 A CB -0.869 18.169 19.000 0.063 0.000 0.819 691 A HN 0.579 nan 8.150 nan 0.000 0.442 692 F N 0.942 120.811 119.950 -0.135 0.000 2.095 692 F HA -0.190 4.339 4.527 0.002 0.000 0.298 692 F C 1.957 177.658 175.800 -0.165 0.000 1.104 692 F CA 1.764 59.594 58.000 -0.283 0.000 1.232 692 F CB -0.247 38.499 39.000 -0.424 0.000 0.987 692 F HN 0.188 nan 8.300 nan 0.000 0.475 693 I N 0.499 121.023 120.570 -0.078 0.000 2.286 693 I HA -0.266 3.908 4.170 0.007 0.000 0.248 693 I C 2.770 178.891 176.117 0.007 0.000 1.115 693 I CA 1.581 62.834 61.300 -0.078 0.000 1.392 693 I CB -1.282 36.758 38.000 0.066 0.000 1.065 693 I HN 0.392 nan 8.210 nan 0.000 0.418 694 E N 1.320 121.513 120.200 -0.012 0.000 2.031 694 E HA -0.252 4.102 4.350 0.007 0.000 0.193 694 E C 2.549 179.114 176.600 -0.058 0.000 0.994 694 E CA 1.980 58.388 56.400 0.013 0.000 0.800 694 E CB -1.115 28.579 29.700 -0.010 0.000 0.752 694 E HN 0.562 nan 8.360 nan 0.000 0.447 695 R N -0.519 119.876 120.500 -0.175 0.000 2.091 695 R HA -0.116 4.228 4.340 0.007 0.000 0.238 695 R C 2.292 178.363 176.300 -0.382 0.000 1.136 695 R CA 1.970 57.909 56.100 -0.269 0.000 0.959 695 R CB -1.707 28.404 30.300 -0.316 0.000 0.856 695 R HN 0.734 nan 8.270 nan 0.000 0.437 696 Y N 0.058 119.962 120.300 -0.661 0.000 2.014 696 Y HA -0.285 4.270 4.550 0.009 0.000 0.272 696 Y C 2.233 177.757 175.900 -0.626 0.000 1.164 696 Y CA 2.700 60.330 58.100 -0.783 0.000 1.114 696 Y CB -0.390 37.487 38.460 -0.971 0.000 0.961 696 Y HN 0.278 nan 8.280 nan 0.000 0.489 697 F N 0.180 120.174 119.950 0.074 0.000 2.186 697 F HA -0.210 4.323 4.527 0.011 0.000 0.299 697 F C 2.460 178.210 175.800 -0.083 0.000 1.090 697 F CA 1.542 59.579 58.000 0.061 0.000 1.307 697 F CB -0.579 38.459 39.000 0.065 0.000 1.019 697 F HN 0.126 nan 8.300 nan 0.000 0.489 698 Q N -0.025 119.778 119.800 0.006 0.000 2.226 698 Q HA -0.175 4.169 4.340 0.007 0.000 0.204 698 Q C 2.529 178.409 176.000 -0.200 0.000 0.975 698 Q CA 1.402 57.163 55.803 -0.070 0.000 0.866 698 Q CB -0.513 28.171 28.738 -0.090 0.000 0.915 698 Q HN 0.596 nan 8.270 nan 0.000 0.440 699 S N 0.438 115.877 115.700 -0.435 0.000 2.428 699 S HA -0.013 4.461 4.470 0.007 0.000 0.230 699 S C 0.747 174.867 174.600 -0.799 0.000 1.014 699 S CA 0.674 58.422 58.200 -0.754 0.000 0.957 699 S CB 0.013 62.477 63.200 -1.227 0.000 0.784 699 S HN 0.240 nan 8.310 nan 0.000 0.499 700 F N 1.133 121.000 119.950 -0.137 0.000 2.584 700 F HA 0.280 4.808 4.527 0.003 0.000 0.328 700 F C -1.761 174.044 175.800 0.007 0.000 1.407 700 F CA -1.859 56.084 58.000 -0.096 0.000 1.145 700 F CB 1.636 40.542 39.000 -0.157 0.000 1.440 700 F HN -0.053 nan 8.300 nan 0.000 0.580 701 P HA -0.272 nan 4.420 nan 0.000 0.217 701 P C 1.394 178.767 177.300 0.123 0.000 1.151 701 P CA 1.571 64.729 63.100 0.098 0.000 0.849 701 P CB 0.398 32.124 31.700 0.042 0.000 0.787 702 K N -0.334 120.142 120.400 0.128 0.000 2.211 702 K HA -0.015 4.309 4.320 0.007 0.000 0.203 702 K C 2.189 178.901 176.600 0.188 0.000 1.050 702 K CA 0.490 56.853 56.287 0.127 0.000 0.945 702 K CB -0.986 31.569 32.500 0.093 0.000 0.732 702 K HN 0.116 nan 8.250 nan 0.000 0.451 703 V N 1.509 121.559 119.914 0.227 0.000 2.287 703 V HA -0.313 3.811 4.120 0.007 0.000 0.248 703 V C 2.983 179.266 176.094 0.315 0.000 1.053 703 V CA 2.624 65.107 62.300 0.305 0.000 1.027 703 V CB -0.819 31.220 31.823 0.360 0.000 0.646 703 V HN 0.403 nan 8.190 nan 0.000 0.447 704 R N -0.030 120.597 120.500 0.211 0.000 2.092 704 R HA -0.005 4.339 4.340 0.007 0.000 0.231 704 R C 2.316 178.618 176.300 0.003 0.000 1.119 704 R CA 1.998 58.111 56.100 0.022 0.000 0.970 704 R CB -1.475 28.792 30.300 -0.056 0.000 0.864 704 R HN 0.635 nan 8.270 nan 0.000 0.440 705 A N -0.363 122.495 122.820 0.063 0.000 1.902 705 A HA -0.120 4.205 4.320 0.007 0.000 0.217 705 A C 2.235 179.848 177.584 0.049 0.000 1.181 705 A CA 1.536 53.596 52.037 0.038 0.000 0.623 705 A CB -0.830 18.206 19.000 0.061 0.000 0.818 705 A HN 0.884 nan 8.150 nan 0.000 0.443 706 W N 0.793 122.081 121.300 -0.020 0.000 2.355 706 W HA -0.174 4.491 4.660 0.009 0.000 0.309 706 W C 1.747 178.247 176.519 -0.032 0.000 1.206 706 W CA 1.897 59.235 57.345 -0.011 0.000 1.284 706 W CB -0.335 29.134 29.460 0.016 0.000 1.145 706 W HN 0.295 nan 8.180 nan 0.000 0.502 707 I N 0.828 121.281 120.570 -0.194 0.000 2.118 707 I HA -0.361 3.813 4.170 0.007 0.000 0.241 707 I C 2.344 178.178 176.117 -0.471 0.000 1.070 707 I CA 2.143 63.114 61.300 -0.548 0.000 1.327 707 I CB -0.818 36.885 38.000 -0.495 0.000 1.034 707 I HN 0.078 nan 8.210 nan 0.000 0.405 708 E N 0.831 120.856 120.200 -0.292 0.000 2.118 708 E HA -0.278 4.076 4.350 0.007 0.000 0.195 708 E C 2.495 178.964 176.600 -0.219 0.000 0.992 708 E CA 1.866 58.138 56.400 -0.214 0.000 0.804 708 E CB -0.199 29.416 29.700 -0.141 0.000 0.741 708 E HN 0.559 nan 8.360 nan 0.000 0.458 709 K N 0.662 120.908 120.400 -0.257 0.000 2.062 709 K HA -0.064 4.260 4.320 0.007 0.000 0.205 709 K C 2.137 178.556 176.600 -0.301 0.000 1.051 709 K CA 1.606 57.756 56.287 -0.228 0.000 0.941 709 K CB -1.291 31.104 32.500 -0.176 0.000 0.719 709 K HN 0.041 nan 8.250 nan 0.000 0.440 710 T N 1.419 115.667 114.554 -0.509 0.000 2.759 710 T HA -0.092 4.262 4.350 0.007 0.000 0.269 710 T C 1.905 176.435 174.700 -0.284 0.000 1.042 710 T CA 1.424 63.233 62.100 -0.485 0.000 1.140 710 T CB -0.197 68.181 68.868 -0.817 0.000 0.864 710 T HN 0.225 nan 8.240 nan 0.000 0.455 711 L N 0.975 122.054 121.223 -0.240 0.000 2.044 711 L HA 0.056 4.400 4.340 0.007 0.000 0.205 711 L C 2.646 179.438 176.870 -0.130 0.000 1.075 711 L CA 1.411 56.166 54.840 -0.142 0.000 0.747 711 L CB -0.825 41.173 42.059 -0.101 0.000 0.903 711 L HN 0.135 nan 8.230 nan 0.000 0.435 712 E N 0.676 120.795 120.200 -0.135 0.000 2.038 712 E HA -0.274 4.080 4.350 0.007 0.000 0.195 712 E C 2.171 178.697 176.600 -0.123 0.000 1.000 712 E CA 2.062 58.396 56.400 -0.110 0.000 0.803 712 E CB 0.137 29.777 29.700 -0.101 0.000 0.750 712 E HN 0.520 nan 8.360 nan 0.000 0.448 713 E N 0.255 120.365 120.200 -0.150 0.000 2.110 713 E HA -0.124 4.230 4.350 0.007 0.000 0.193 713 E C 2.221 178.688 176.600 -0.222 0.000 0.988 713 E CA 1.578 57.873 56.400 -0.174 0.000 0.804 713 E CB -1.477 28.115 29.700 -0.180 0.000 0.745 713 E HN 0.510 nan 8.360 nan 0.000 0.458 714 G N 0.055 108.731 108.800 -0.207 0.000 2.422 714 G HA2 -0.227 3.737 3.960 0.007 0.000 0.218 714 G HA3 -0.227 3.737 3.960 0.007 0.000 0.218 714 G C 2.001 176.809 174.900 -0.153 0.000 1.146 714 G CA 0.953 45.929 45.100 -0.208 0.000 0.769 714 G HN 0.464 nan 8.290 nan 0.000 0.547 715 R N 0.019 120.451 120.500 -0.113 0.000 2.066 715 R HA 0.075 4.420 4.340 0.007 0.000 0.232 715 R C 3.174 179.430 176.300 -0.073 0.000 1.131 715 R CA 1.969 58.025 56.100 -0.074 0.000 0.955 715 R CB -0.448 29.816 30.300 -0.060 0.000 0.851 715 R HN 0.352 nan 8.270 nan 0.000 0.432 716 R N 1.092 121.536 120.500 -0.094 0.000 2.064 716 R HA -0.066 4.278 4.340 0.007 0.000 0.228 716 R C 2.238 178.485 176.300 -0.088 0.000 1.144 716 R CA 1.927 57.979 56.100 -0.080 0.000 0.932 716 R CB -1.189 29.061 30.300 -0.084 0.000 0.833 716 R HN 0.283 nan 8.270 nan 0.000 0.429 717 R N -1.432 118.963 120.500 -0.175 0.000 2.115 717 R HA 0.079 4.423 4.340 0.007 0.000 0.230 717 R C 1.779 178.002 176.300 -0.128 0.000 1.111 717 R CA 1.115 57.077 56.100 -0.229 0.000 0.976 717 R CB 0.126 30.073 30.300 -0.589 0.000 0.870 717 R HN 0.747 nan 8.270 nan 0.000 0.445 718 G N -0.686 108.032 108.800 -0.138 0.000 2.194 718 G HA2 -0.286 3.678 3.960 0.007 0.000 0.236 718 G HA3 -0.286 3.678 3.960 0.007 0.000 0.236 718 G C -0.122 174.782 174.900 0.006 0.000 0.987 718 G CA 0.319 45.434 45.100 0.025 0.000 0.635 718 G HN 0.452 nan 8.290 nan 0.000 0.520 719 Y N -1.232 118.935 120.300 -0.222 0.000 2.655 719 Y HA 0.791 5.345 4.550 0.007 0.000 0.336 719 Y C -0.197 175.563 175.900 -0.233 0.000 1.154 719 Y CA -1.278 56.600 58.100 -0.370 0.000 1.055 719 Y CB 1.124 39.027 38.460 -0.928 0.000 1.295 719 Y HN 0.912 nan 8.280 nan 0.000 0.465 720 V N -0.904 118.988 119.914 -0.036 0.000 3.046 720 V HA 0.906 5.030 4.120 0.007 0.000 0.316 720 V C -0.841 175.327 176.094 0.123 0.000 1.104 720 V CA -0.800 61.477 62.300 -0.039 0.000 1.006 720 V CB 1.700 33.504 31.823 -0.032 0.000 1.058 720 V HN 1.150 nan 8.190 nan 0.000 0.440 721 E N 0.604 120.868 120.200 0.107 0.000 2.446 721 E HA 0.649 5.003 4.350 0.007 0.000 0.276 721 E C -0.711 175.956 176.600 0.111 0.000 0.969 721 E CA -0.550 55.926 56.400 0.127 0.000 0.800 721 E CB 2.159 31.965 29.700 0.177 0.000 1.341 721 E HN 0.920 nan 8.360 nan 0.000 0.460 722 T N -1.131 113.472 114.554 0.081 0.000 2.852 722 T HA 0.188 4.542 4.350 0.007 0.000 0.281 722 T C 1.136 175.863 174.700 0.045 0.000 0.993 722 T CA -0.666 61.462 62.100 0.047 0.000 0.933 722 T CB 0.746 69.601 68.868 -0.021 0.000 1.187 722 T HN 0.450 nan 8.240 nan 0.000 0.559 723 L N -0.314 120.881 121.223 -0.046 0.000 2.079 723 L HA 0.131 4.475 4.340 0.007 0.000 0.210 723 L C 1.959 178.902 176.870 0.123 0.000 1.081 723 L CA 1.623 56.453 54.840 -0.018 0.000 0.752 723 L CB -1.050 40.894 42.059 -0.191 0.000 0.896 723 L HN 0.787 nan 8.230 nan 0.000 0.433 724 F N -0.921 118.972 119.950 -0.094 0.000 2.789 724 F HA 0.245 4.777 4.527 0.008 0.000 0.300 724 F C 1.645 177.419 175.800 -0.043 0.000 1.132 724 F CA 0.067 57.988 58.000 -0.132 0.000 1.404 724 F CB 0.037 38.982 39.000 -0.093 0.000 1.114 724 F HN 0.294 nan 8.300 nan 0.000 0.584 725 G N 1.902 110.803 108.800 0.168 0.000 2.140 725 G HA2 -0.285 3.679 3.960 0.007 0.000 0.211 725 G HA3 -0.285 3.679 3.960 0.007 0.000 0.211 725 G C 0.056 175.009 174.900 0.089 0.000 1.013 725 G CA -0.490 44.680 45.100 0.116 0.000 0.705 725 G HN 0.356 nan 8.290 nan 0.000 0.508 726 R N 0.255 120.806 120.500 0.086 0.000 2.438 726 R HA 0.577 4.921 4.340 0.007 0.000 0.287 726 R C 0.522 176.819 176.300 -0.006 0.000 1.077 726 R CA -0.264 55.855 56.100 0.032 0.000 1.034 726 R CB 0.367 30.684 30.300 0.029 0.000 0.993 726 R HN 0.401 nan 8.270 nan 0.000 0.459 727 R N 2.602 123.058 120.500 -0.073 0.000 2.732 727 R HA 0.449 4.793 4.340 0.007 0.000 0.278 727 R C -0.595 175.645 176.300 -0.100 0.000 0.976 727 R CA -0.964 55.066 56.100 -0.116 0.000 0.963 727 R CB 1.987 32.059 30.300 -0.380 0.000 1.150 727 R HN 0.493 nan 8.270 nan 0.000 0.478 728 R N 2.051 122.503 120.500 -0.079 0.000 2.515 728 R HA 0.233 4.577 4.340 0.007 0.000 0.291 728 R C -1.501 174.787 176.300 -0.020 0.000 1.046 728 R CA -0.603 55.493 56.100 -0.007 0.000 0.914 728 R CB 0.982 31.283 30.300 0.002 0.000 1.191 728 R HN 0.551 nan 8.270 nan 0.000 0.435 729 Y N 2.975 123.310 120.300 0.058 0.000 2.359 729 Y HA 0.227 4.782 4.550 0.007 0.000 0.334 729 Y C 0.281 176.214 175.900 0.056 0.000 1.058 729 Y CA -0.224 57.933 58.100 0.095 0.000 1.244 729 Y CB 1.674 40.172 38.460 0.063 0.000 1.187 729 Y HN 0.210 nan 8.280 nan 0.000 0.510 730 V N 6.620 126.614 119.914 0.133 0.000 2.313 730 V HA 0.134 4.258 4.120 0.007 0.000 0.262 730 V C -1.632 174.503 176.094 0.069 0.000 1.011 730 V CA -1.280 61.065 62.300 0.076 0.000 0.858 730 V CB 0.901 32.737 31.823 0.022 0.000 1.104 730 V HN 0.688 nan 8.190 nan 0.000 0.456 731 P HA -0.154 nan 4.420 nan 0.000 0.216 731 P C 0.748 178.071 177.300 0.038 0.000 1.150 731 P CA 1.226 64.368 63.100 0.070 0.000 0.837 731 P CB 0.451 32.193 31.700 0.070 0.000 0.786 732 D N -0.243 120.175 120.400 0.030 0.000 2.403 732 D HA -0.050 4.594 4.640 0.007 0.000 0.227 732 D C 1.832 178.139 176.300 0.012 0.000 0.995 732 D CA 0.377 54.388 54.000 0.018 0.000 0.928 732 D CB -0.735 40.075 40.800 0.015 0.000 0.887 732 D HN 0.267 nan 8.370 nan 0.000 0.529 733 L N 0.037 121.267 121.223 0.010 0.000 2.450 733 L HA -0.101 4.243 4.340 0.007 0.000 0.224 733 L C 1.345 178.213 176.870 -0.002 0.000 1.149 733 L CA 1.096 55.936 54.840 0.000 0.000 0.816 733 L CB -0.038 42.014 42.059 -0.012 0.000 0.932 733 L HN -0.016 nan 8.230 nan 0.000 0.449 734 E N -0.620 119.582 120.200 0.003 0.000 2.693 734 E HA 0.236 4.590 4.350 0.007 0.000 0.214 734 E C 0.434 177.036 176.600 0.004 0.000 0.990 734 E CA -0.334 56.066 56.400 0.001 0.000 1.047 734 E CB 0.723 30.424 29.700 0.001 0.000 1.039 734 E HN 0.299 nan 8.360 nan 0.000 0.475 735 A N 1.302 124.125 122.820 0.006 0.000 2.520 735 A HA 0.074 4.398 4.320 0.007 0.000 0.235 735 A C 0.926 178.513 177.584 0.004 0.000 1.065 735 A CA -0.022 52.019 52.037 0.006 0.000 0.764 735 A CB 0.353 19.358 19.000 0.008 0.000 1.002 735 A HN 0.108 nan 8.150 nan 0.000 0.502 736 R N 0.999 121.502 120.500 0.004 0.000 2.356 736 R HA 0.147 4.491 4.340 0.007 0.000 0.234 736 R C -0.597 175.705 176.300 0.003 0.000 0.929 736 R CA 0.174 56.276 56.100 0.002 0.000 1.084 736 R CB -0.741 29.560 30.300 0.001 0.000 1.105 736 R HN 0.374 nan 8.270 nan 0.000 0.515 737 V N 1.647 121.564 119.914 0.005 0.000 2.313 737 V HA 0.164 4.288 4.120 0.007 0.000 0.278 737 V C 1.549 177.649 176.094 0.009 0.000 1.017 737 V CA -0.808 61.496 62.300 0.006 0.000 0.823 737 V CB 1.816 33.643 31.823 0.007 0.000 1.010 737 V HN 0.120 nan 8.190 nan 0.000 0.443 738 K N 2.898 123.304 120.400 0.009 0.000 2.077 738 K HA -0.257 4.067 4.320 0.007 0.000 0.213 738 K C 2.261 178.871 176.600 0.017 0.000 1.051 738 K CA 2.422 58.716 56.287 0.012 0.000 0.929 738 K CB -0.046 32.461 32.500 0.012 0.000 0.715 738 K HN 0.652 nan 8.250 nan 0.000 0.451 739 S N -0.152 115.558 115.700 0.016 0.000 2.359 739 S HA -0.153 4.321 4.470 0.007 0.000 0.222 739 S C 1.927 176.538 174.600 0.018 0.000 1.038 739 S CA 1.797 60.008 58.200 0.019 0.000 1.051 739 S CB -0.330 62.880 63.200 0.017 0.000 0.944 739 S HN 0.272 nan 8.310 nan 0.000 0.433 740 V N 2.122 122.044 119.914 0.014 0.000 2.358 740 V HA -0.101 4.023 4.120 0.007 0.000 0.246 740 V C 2.655 178.757 176.094 0.012 0.000 1.047 740 V CA 2.153 64.461 62.300 0.012 0.000 1.035 740 V CB -0.797 31.032 31.823 0.010 0.000 0.658 740 V HN 0.467 nan 8.190 nan 0.000 0.452 741 R N 0.321 120.829 120.500 0.013 0.000 2.070 741 R HA -0.186 4.158 4.340 0.007 0.000 0.233 741 R C 2.307 178.619 176.300 0.020 0.000 1.137 741 R CA 2.043 58.151 56.100 0.013 0.000 0.945 741 R CB -0.248 30.059 30.300 0.011 0.000 0.845 741 R HN 0.601 nan 8.270 nan 0.000 0.430 742 E N -0.188 120.028 120.200 0.027 0.000 2.153 742 E HA -0.170 4.184 4.350 0.007 0.000 0.194 742 E C 1.870 178.493 176.600 0.039 0.000 0.988 742 E CA 0.988 57.413 56.400 0.042 0.000 0.811 742 E CB -0.050 29.678 29.700 0.047 0.000 0.746 742 E HN 0.484 nan 8.360 nan 0.000 0.466 743 A N 1.535 124.369 122.820 0.023 0.000 1.898 743 A HA -0.026 4.298 4.320 0.007 0.000 0.216 743 A C 2.404 179.980 177.584 -0.013 0.000 1.181 743 A CA 1.403 53.444 52.037 0.007 0.000 0.620 743 A CB -0.484 18.520 19.000 0.008 0.000 0.819 743 A HN 0.279 nan 8.150 nan 0.000 0.442 744 A N 0.163 122.981 122.820 -0.004 0.000 1.902 744 A HA -0.181 4.143 4.320 0.007 0.000 0.217 744 A C 1.897 179.469 177.584 -0.019 0.000 1.181 744 A CA 1.638 53.668 52.037 -0.011 0.000 0.623 744 A CB -0.534 18.467 19.000 0.002 0.000 0.818 744 A HN 0.652 nan 8.150 nan 0.000 0.443 745 E N -0.340 119.867 120.200 0.012 0.000 2.077 745 E HA -0.191 4.163 4.350 0.007 0.000 0.193 745 E C 2.297 178.897 176.600 -0.000 0.000 0.989 745 E CA 1.084 57.520 56.400 0.060 0.000 0.800 745 E CB -0.240 29.533 29.700 0.121 0.000 0.746 745 E HN 0.548 nan 8.360 nan 0.000 0.452 746 R N 0.427 120.873 120.500 -0.090 0.000 2.091 746 R HA -0.098 4.246 4.340 0.007 0.000 0.238 746 R C 2.440 178.405 176.300 -0.558 0.000 1.136 746 R CA 1.550 57.388 56.100 -0.437 0.000 0.959 746 R CB -0.301 29.894 30.300 -0.175 0.000 0.856 746 R HN 0.233 nan 8.270 nan 0.000 0.437 747 M N 0.071 119.507 119.600 -0.274 0.000 2.159 747 M HA -0.103 4.381 4.480 0.007 0.000 0.263 747 M C 2.567 178.738 176.300 -0.214 0.000 1.063 747 M CA 1.661 56.826 55.300 -0.225 0.000 1.110 747 M CB -0.387 32.144 32.600 -0.115 0.000 1.374 747 M HN 0.220 nan 8.290 nan 0.000 0.411 748 A N 1.209 123.935 122.820 -0.156 0.000 1.858 748 A HA -0.174 4.150 4.320 0.007 0.000 0.216 748 A C 1.867 179.433 177.584 -0.030 0.000 1.190 748 A CA 1.795 53.788 52.037 -0.072 0.000 0.617 748 A CB -1.075 17.913 19.000 -0.021 0.000 0.827 748 A HN 0.644 nan 8.150 nan 0.000 0.443 749 F N 0.318 120.251 119.950 -0.028 0.000 2.661 749 F HA 0.099 4.630 4.527 0.006 0.000 0.298 749 F C 1.484 177.395 175.800 0.185 0.000 1.137 749 F CA 0.765 58.767 58.000 0.003 0.000 1.454 749 F CB -0.619 38.347 39.000 -0.058 0.000 1.103 749 F HN 0.292 nan 8.300 nan 0.000 0.577 750 N N 0.916 119.475 118.700 -0.235 0.000 2.290 750 N HA -0.157 4.588 4.740 0.007 0.000 0.179 750 N C 1.891 177.330 175.510 -0.117 0.000 1.016 750 N CA 1.056 53.935 53.050 -0.285 0.000 0.871 750 N CB -0.243 37.821 38.487 -0.706 0.000 0.987 750 N HN 0.361 nan 8.380 nan 0.000 0.431 751 M N 1.554 121.108 119.600 -0.077 0.000 2.082 751 M HA -0.096 4.388 4.480 0.007 0.000 0.258 751 M C -1.076 175.250 176.300 0.044 0.000 1.069 751 M CA 1.717 56.999 55.300 -0.030 0.000 1.102 751 M CB -1.841 30.746 32.600 -0.022 0.000 1.336 751 M HN 0.002 nan 8.290 nan 0.000 0.404 752 P HA -0.099 nan 4.420 nan 0.000 0.217 752 P C 1.758 179.133 177.300 0.125 0.000 1.150 752 P CA 1.333 64.549 63.100 0.193 0.000 0.832 752 P CB -0.106 31.848 31.700 0.424 0.000 0.787 753 V N -0.429 119.586 119.914 0.168 0.000 2.323 753 V HA -0.224 3.900 4.120 0.007 0.000 0.244 753 V C 2.643 178.741 176.094 0.006 0.000 1.041 753 V CA 1.748 64.100 62.300 0.086 0.000 1.025 753 V CB -1.369 30.598 31.823 0.240 0.000 0.656 753 V HN 0.123 nan 8.190 nan 0.000 0.451 754 Q N 0.346 120.128 119.800 -0.030 0.000 2.083 754 Q HA -0.099 4.245 4.340 0.007 0.000 0.198 754 Q C 2.278 178.243 176.000 -0.059 0.000 0.969 754 Q CA 1.708 57.462 55.803 -0.081 0.000 0.838 754 Q CB -0.385 28.262 28.738 -0.151 0.000 0.900 754 Q HN 0.656 nan 8.270 nan 0.000 0.436 755 G N -0.381 108.393 108.800 -0.042 0.000 2.418 755 G HA2 -0.233 3.732 3.960 0.007 0.000 0.217 755 G HA3 -0.233 3.732 3.960 0.007 0.000 0.217 755 G C 1.358 176.211 174.900 -0.079 0.000 1.158 755 G CA 1.273 46.353 45.100 -0.034 0.000 0.771 755 G HN 0.337 nan 8.290 nan 0.000 0.545 756 T N 1.637 116.119 114.554 -0.119 0.000 2.746 756 T HA 0.014 4.368 4.350 0.007 0.000 0.267 756 T C 2.803 177.343 174.700 -0.267 0.000 1.039 756 T CA 1.473 63.422 62.100 -0.251 0.000 1.142 756 T CB -0.350 68.377 68.868 -0.236 0.000 0.866 756 T HN 0.365 nan 8.240 nan 0.000 0.444 757 A N 1.253 123.964 122.820 -0.181 0.000 1.972 757 A HA 0.162 4.486 4.320 0.007 0.000 0.219 757 A C 2.583 180.096 177.584 -0.118 0.000 1.169 757 A CA 1.774 53.703 52.037 -0.179 0.000 0.635 757 A CB -0.932 17.994 19.000 -0.124 0.000 0.810 757 A HN 0.509 nan 8.150 nan 0.000 0.446 758 A N 0.203 122.986 122.820 -0.062 0.000 1.873 758 A HA -0.150 4.175 4.320 0.007 0.000 0.215 758 A C 1.789 179.383 177.584 0.015 0.000 1.186 758 A CA 1.678 53.724 52.037 0.014 0.000 0.616 758 A CB -0.558 18.472 19.000 0.050 0.000 0.823 758 A HN 0.462 nan 8.150 nan 0.000 0.442 759 D N 0.031 120.407 120.400 -0.041 0.000 2.116 759 D HA -0.158 4.487 4.640 0.007 0.000 0.193 759 D C 1.845 178.171 176.300 0.044 0.000 0.998 759 D CA 1.247 55.260 54.000 0.022 0.000 0.836 759 D CB -0.436 40.264 40.800 -0.165 0.000 0.951 759 D HN 0.258 nan 8.370 nan 0.000 0.449 760 L N 0.324 121.471 121.223 -0.127 0.000 1.990 760 L HA -0.190 4.154 4.340 0.007 0.000 0.213 760 L C 2.491 179.390 176.870 0.050 0.000 1.072 760 L CA 1.346 56.145 54.840 -0.070 0.000 0.755 760 L CB -0.870 41.037 42.059 -0.254 0.000 0.889 760 L HN 0.052 nan 8.230 nan 0.000 0.432 761 M N -0.662 118.966 119.600 0.046 0.000 2.108 761 M HA -0.219 4.265 4.480 0.007 0.000 0.261 761 M C 2.174 178.554 176.300 0.133 0.000 1.066 761 M CA 1.807 57.204 55.300 0.161 0.000 1.107 761 M CB -0.340 32.353 32.600 0.155 0.000 1.356 761 M HN 0.067 nan 8.290 nan 0.000 0.406 762 K N -0.443 120.022 120.400 0.108 0.000 2.057 762 K HA -0.134 4.190 4.320 0.007 0.000 0.207 762 K C 2.098 178.760 176.600 0.104 0.000 1.049 762 K CA 1.458 57.801 56.287 0.093 0.000 0.931 762 K CB -0.502 32.060 32.500 0.104 0.000 0.714 762 K HN 0.392 nan 8.250 nan 0.000 0.440 763 L N 0.677 121.993 121.223 0.155 0.000 2.012 763 L HA -0.224 4.120 4.340 0.007 0.000 0.210 763 L C 2.466 179.424 176.870 0.146 0.000 1.073 763 L CA 1.449 56.390 54.840 0.169 0.000 0.748 763 L CB -0.509 41.719 42.059 0.281 0.000 0.891 763 L HN 0.228 nan 8.230 nan 0.000 0.431 764 A N -0.357 122.564 122.820 0.169 0.000 1.908 764 A HA -0.280 4.045 4.320 0.007 0.000 0.218 764 A C 2.169 179.823 177.584 0.116 0.000 1.181 764 A CA 2.039 54.175 52.037 0.165 0.000 0.627 764 A CB -0.477 18.662 19.000 0.232 0.000 0.818 764 A HN 0.479 nan 8.150 nan 0.000 0.445 765 M N -0.831 118.826 119.600 0.095 0.000 2.175 765 M HA -0.112 4.372 4.480 0.007 0.000 0.264 765 M C 1.988 178.336 176.300 0.080 0.000 1.063 765 M CA 1.227 56.566 55.300 0.064 0.000 1.119 765 M CB -0.340 32.266 32.600 0.010 0.000 1.377 765 M HN 0.236 nan 8.290 nan 0.000 0.415 766 V N 0.552 120.504 119.914 0.064 0.000 2.515 766 V HA -0.223 3.901 4.120 0.007 0.000 0.250 766 V C 2.037 178.181 176.094 0.083 0.000 1.058 766 V CA 1.675 64.008 62.300 0.056 0.000 1.064 766 V CB -0.652 31.178 31.823 0.012 0.000 0.675 766 V HN 0.463 nan 8.190 nan 0.000 0.461 767 K N -0.274 120.177 120.400 0.085 0.000 2.137 767 K HA -0.013 4.312 4.320 0.007 0.000 0.202 767 K C 2.021 178.664 176.600 0.073 0.000 1.052 767 K CA 0.798 57.131 56.287 0.077 0.000 0.961 767 K CB -0.220 32.333 32.500 0.087 0.000 0.741 767 K HN 0.248 nan 8.250 nan 0.000 0.452 768 L N 0.708 121.982 121.223 0.085 0.000 2.072 768 L HA -0.038 4.306 4.340 0.007 0.000 0.205 768 L C 1.957 178.868 176.870 0.069 0.000 1.079 768 L CA 1.362 56.241 54.840 0.065 0.000 0.752 768 L CB -0.562 41.534 42.059 0.062 0.000 0.906 768 L HN 0.036 nan 8.230 nan 0.000 0.436 769 F N 2.084 122.020 119.950 -0.023 0.000 2.043 769 F HA -0.206 4.325 4.527 0.007 0.000 0.297 769 F C -0.468 175.306 175.800 -0.043 0.000 1.118 769 F CA 2.610 60.588 58.000 -0.036 0.000 1.202 769 F CB -1.846 37.135 39.000 -0.030 0.000 0.965 769 F HN 0.198 nan 8.300 nan 0.000 0.482 770 P HA -0.221 nan 4.420 nan 0.000 0.215 770 P C 1.365 178.543 177.300 -0.204 0.000 1.153 770 P CA 1.743 64.728 63.100 -0.191 0.000 0.853 770 P CB -0.291 31.389 31.700 -0.035 0.000 0.788 771 R N -0.155 120.270 120.500 -0.125 0.000 2.105 771 R HA -0.033 4.311 4.340 0.007 0.000 0.239 771 R C 2.644 178.855 176.300 -0.148 0.000 1.135 771 R CA 0.912 56.949 56.100 -0.106 0.000 0.967 771 R CB -1.632 28.634 30.300 -0.057 0.000 0.861 771 R HN 0.352 nan 8.270 nan 0.000 0.442 772 L N 0.750 121.854 121.223 -0.199 0.000 2.056 772 L HA -0.141 4.204 4.340 0.007 0.000 0.207 772 L C 2.349 179.060 176.870 -0.265 0.000 1.078 772 L CA 1.338 56.053 54.840 -0.207 0.000 0.749 772 L CB -0.479 41.459 42.059 -0.201 0.000 0.901 772 L HN 0.218 nan 8.230 nan 0.000 0.433 773 E N 0.288 120.229 120.200 -0.433 0.000 2.085 773 E HA -0.260 4.094 4.350 0.007 0.000 0.194 773 E C 2.286 178.756 176.600 -0.217 0.000 0.994 773 E CA 1.534 57.704 56.400 -0.383 0.000 0.801 773 E CB -0.184 29.216 29.700 -0.500 0.000 0.743 773 E HN 0.652 nan 8.360 nan 0.000 0.453 774 E N 1.021 121.110 120.200 -0.186 0.000 2.268 774 E HA -0.100 4.254 4.350 0.007 0.000 0.195 774 E C 1.680 178.216 176.600 -0.107 0.000 0.995 774 E CA 1.245 57.570 56.400 -0.125 0.000 0.836 774 E CB -0.623 29.015 29.700 -0.104 0.000 0.763 774 E HN 0.241 nan 8.360 nan 0.000 0.491 775 M N -1.033 118.497 119.600 -0.116 0.000 2.428 775 M HA 0.326 4.810 4.480 0.007 0.000 0.239 775 M C 1.674 177.907 176.300 -0.111 0.000 1.121 775 M CA 0.570 55.808 55.300 -0.105 0.000 1.019 775 M CB 0.841 33.382 32.600 -0.098 0.000 1.485 775 M HN 0.453 nan 8.290 nan 0.000 0.484 776 G N 1.336 110.075 108.800 -0.101 0.000 2.143 776 G HA2 -0.214 3.750 3.960 0.007 0.000 0.248 776 G HA3 -0.214 3.750 3.960 0.007 0.000 0.248 776 G C 0.090 174.976 174.900 -0.023 0.000 0.991 776 G CA 0.225 45.283 45.100 -0.070 0.000 0.689 776 G HN 0.665 nan 8.290 nan 0.000 0.522 777 A N -0.330 122.472 122.820 -0.030 0.000 2.281 777 A HA 0.990 5.314 4.320 0.007 0.000 0.329 777 A C 0.489 178.112 177.584 0.066 0.000 1.122 777 A CA 0.108 52.178 52.037 0.055 0.000 0.850 777 A CB 0.794 19.788 19.000 -0.010 0.000 1.207 777 A HN 1.301 nan 8.150 nan 0.000 0.495 778 R N 0.439 121.016 120.500 0.129 0.000 2.725 778 R HA 0.691 5.035 4.340 0.007 0.000 0.277 778 R C -1.085 175.261 176.300 0.078 0.000 0.987 778 R CA -0.728 55.425 56.100 0.089 0.000 0.901 778 R CB 1.525 31.878 30.300 0.089 0.000 1.207 778 R HN 0.682 nan 8.270 nan 0.000 0.463 779 M N 4.018 123.691 119.600 0.122 0.000 2.157 779 M HA 0.247 4.731 4.480 0.007 0.000 0.354 779 M C -0.609 175.696 176.300 0.009 0.000 1.170 779 M CA -0.389 54.952 55.300 0.068 0.000 1.060 779 M CB 1.065 33.746 32.600 0.136 0.000 1.615 779 M HN 0.824 nan 8.290 nan 0.000 0.460 780 L N 4.694 125.880 121.223 -0.061 0.000 2.435 780 L HA 0.369 4.713 4.340 0.007 0.000 0.195 780 L C -0.143 176.674 176.870 -0.088 0.000 1.072 780 L CA 0.231 55.027 54.840 -0.073 0.000 0.833 780 L CB 0.145 42.138 42.059 -0.111 0.000 1.081 780 L HN 0.586 nan 8.230 nan 0.000 0.485 781 L N -0.515 120.609 121.223 -0.165 0.000 2.350 781 L HA 0.513 4.857 4.340 0.007 0.000 0.260 781 L C -0.894 175.857 176.870 -0.198 0.000 1.015 781 L CA -0.541 54.225 54.840 -0.123 0.000 0.821 781 L CB 2.144 44.113 42.059 -0.150 0.000 1.370 781 L HN -0.033 nan 8.230 nan 0.000 0.416 782 Q N 1.441 121.131 119.800 -0.183 0.000 2.304 782 Q HA 0.455 4.800 4.340 0.007 0.000 0.270 782 Q C -1.810 174.186 176.000 -0.007 0.000 1.035 782 Q CA -0.409 55.310 55.803 -0.141 0.000 0.781 782 Q CB 2.668 31.241 28.738 -0.276 0.000 1.261 782 Q HN 0.511 nan 8.270 nan 0.000 0.444 783 V N 5.835 125.746 119.914 -0.006 0.000 2.454 783 V HA 0.211 4.335 4.120 0.007 0.000 0.255 783 V C 0.078 176.115 176.094 -0.094 0.000 1.009 783 V CA -0.158 62.096 62.300 -0.078 0.000 1.149 783 V CB -0.563 31.356 31.823 0.159 0.000 1.418 783 V HN 1.086 nan 8.190 nan 0.000 0.567 784 H N 0.795 119.950 119.070 0.142 0.000 5.008 784 H HA -0.245 4.315 4.556 0.007 0.000 0.066 784 H C 1.273 176.674 175.328 0.123 0.000 0.566 784 H CA 2.012 58.127 56.048 0.113 0.000 1.018 784 H CB -0.579 29.238 29.762 0.091 0.000 0.468 784 H HN 0.729 nan 8.280 nan 0.000 0.767 785 D N 0.610 121.161 120.400 0.251 0.000 2.636 785 D HA 0.154 4.798 4.640 0.007 0.000 0.270 785 D C -0.092 176.358 176.300 0.250 0.000 1.430 785 D CA 0.164 54.341 54.000 0.295 0.000 0.796 785 D CB 0.517 41.486 40.800 0.281 0.000 1.117 785 D HN 0.631 nan 8.370 nan 0.000 0.480 786 E N 0.612 120.910 120.200 0.163 0.000 2.317 786 E HA 0.575 4.929 4.350 0.007 0.000 0.270 786 E C -1.476 175.155 176.600 0.052 0.000 0.885 786 E CA -0.794 55.672 56.400 0.109 0.000 0.760 786 E CB 2.131 31.931 29.700 0.167 0.000 1.227 786 E HN 0.046 nan 8.360 nan 0.000 0.434 787 L N 3.238 124.463 121.223 0.003 0.000 2.386 787 L HA 0.553 4.897 4.340 0.007 0.000 0.271 787 L C -1.093 175.728 176.870 -0.081 0.000 0.993 787 L CA -1.174 53.636 54.840 -0.049 0.000 0.819 787 L CB 2.199 44.225 42.059 -0.055 0.000 1.294 787 L HN 0.384 nan 8.230 nan 0.000 0.414 788 V N 4.646 124.462 119.914 -0.163 0.000 2.378 788 V HA 0.497 4.622 4.120 0.007 0.000 0.288 788 V C -0.044 175.941 176.094 -0.182 0.000 1.016 788 V CA -0.346 61.798 62.300 -0.260 0.000 0.840 788 V CB 1.745 33.208 31.823 -0.600 0.000 0.994 788 V HN 0.515 nan 8.190 nan 0.000 0.431 789 L N 3.395 124.550 121.223 -0.112 0.000 2.286 789 L HA 0.742 5.087 4.340 0.007 0.000 0.265 789 L C -0.256 176.607 176.870 -0.012 0.000 1.012 789 L CA -0.716 54.096 54.840 -0.047 0.000 0.818 789 L CB 2.180 44.230 42.059 -0.016 0.000 1.337 789 L HN 0.575 nan 8.230 nan 0.000 0.438 790 E N 0.661 120.896 120.200 0.058 0.000 2.218 790 E HA 0.705 5.059 4.350 0.007 0.000 0.263 790 E C -1.672 175.136 176.600 0.346 0.000 0.879 790 E CA -0.555 55.944 56.400 0.164 0.000 0.762 790 E CB 2.059 31.805 29.700 0.076 0.000 1.166 790 E HN 0.691 nan 8.360 nan 0.000 0.415 791 A N 4.881 127.891 122.820 0.317 0.000 2.435 791 A HA 0.665 4.989 4.320 0.007 0.000 0.304 791 A C -2.763 174.737 177.584 -0.140 0.000 1.064 791 A CA -1.813 50.292 52.037 0.114 0.000 0.727 791 A CB 1.503 20.499 19.000 -0.007 0.000 1.284 791 A HN 0.467 nan 8.150 nan 0.000 0.415 792 P HA 0.078 nan 4.420 nan 0.000 0.266 792 P C 0.354 177.417 177.300 -0.395 0.000 1.195 792 P CA 0.116 62.647 63.100 -0.949 0.000 0.768 792 P CB 0.528 31.649 31.700 -0.964 0.000 0.838 793 K N 2.208 122.440 120.400 -0.279 0.000 2.218 793 K HA -0.227 4.097 4.320 0.007 0.000 0.205 793 K C 1.988 178.510 176.600 -0.130 0.000 1.046 793 K CA 2.054 58.259 56.287 -0.136 0.000 0.933 793 K CB -0.294 32.158 32.500 -0.080 0.000 0.728 793 K HN 0.567 nan 8.250 nan 0.000 0.454 794 E N 1.390 121.490 120.200 -0.168 0.000 2.482 794 E HA -0.078 4.276 4.350 0.007 0.000 0.196 794 E C 1.525 178.051 176.600 -0.124 0.000 1.047 794 E CA 0.641 56.964 56.400 -0.129 0.000 0.869 794 E CB -0.304 29.317 29.700 -0.132 0.000 0.836 794 E HN 0.426 nan 8.360 nan 0.000 0.520 795 R N -1.599 118.811 120.500 -0.150 0.000 2.509 795 R HA 0.445 4.790 4.340 0.007 0.000 0.297 795 R C 2.435 178.677 176.300 -0.097 0.000 0.951 795 R CA 0.552 56.577 56.100 -0.125 0.000 1.103 795 R CB 0.516 30.724 30.300 -0.154 0.000 1.283 795 R HN 0.269 nan 8.270 nan 0.000 0.534 796 A N 1.818 124.583 122.820 -0.091 0.000 1.958 796 A HA -0.225 4.099 4.320 0.007 0.000 0.221 796 A C 1.811 179.372 177.584 -0.039 0.000 1.178 796 A CA 1.516 53.521 52.037 -0.053 0.000 0.642 796 A CB -0.167 18.812 19.000 -0.036 0.000 0.816 796 A HN 0.168 nan 8.150 nan 0.000 0.453 797 E N -0.496 119.680 120.200 -0.041 0.000 2.072 797 E HA -0.076 4.278 4.350 0.007 0.000 0.190 797 E C 2.410 178.990 176.600 -0.033 0.000 0.982 797 E CA 1.129 57.511 56.400 -0.031 0.000 0.803 797 E CB -0.476 29.207 29.700 -0.029 0.000 0.755 797 E HN 0.592 nan 8.360 nan 0.000 0.453 798 A N 1.083 123.877 122.820 -0.042 0.000 1.930 798 A HA -0.103 4.221 4.320 0.007 0.000 0.217 798 A C 2.565 180.124 177.584 -0.041 0.000 1.175 798 A CA 1.103 53.115 52.037 -0.042 0.000 0.627 798 A CB -0.511 18.459 19.000 -0.050 0.000 0.815 798 A HN 0.104 nan 8.150 nan 0.000 0.443 799 V N -0.166 119.720 119.914 -0.046 0.000 2.307 799 V HA -0.213 3.911 4.120 0.007 0.000 0.245 799 V C 3.067 179.142 176.094 -0.032 0.000 1.045 799 V CA 1.817 64.092 62.300 -0.042 0.000 1.024 799 V CB -1.282 30.515 31.823 -0.043 0.000 0.651 799 V HN 0.600 nan 8.190 nan 0.000 0.449 800 A N 0.179 122.982 122.820 -0.028 0.000 1.892 800 A HA -0.315 4.009 4.320 0.007 0.000 0.218 800 A C 2.365 179.934 177.584 -0.024 0.000 1.188 800 A CA 2.456 54.479 52.037 -0.023 0.000 0.631 800 A CB -0.625 18.365 19.000 -0.016 0.000 0.822 800 A HN 0.491 nan 8.150 nan 0.000 0.447 801 R N -1.008 119.478 120.500 -0.023 0.000 2.080 801 R HA -0.152 4.192 4.340 0.007 0.000 0.236 801 R C 2.084 178.372 176.300 -0.020 0.000 1.137 801 R CA 1.825 57.913 56.100 -0.020 0.000 0.943 801 R CB -0.489 29.800 30.300 -0.019 0.000 0.846 801 R HN 0.451 nan 8.270 nan 0.000 0.431 802 L N 0.368 121.577 121.223 -0.023 0.000 2.017 802 L HA -0.054 4.290 4.340 0.007 0.000 0.208 802 L C 2.239 179.098 176.870 -0.019 0.000 1.073 802 L CA 2.245 57.072 54.840 -0.021 0.000 0.745 802 L CB -0.809 41.233 42.059 -0.029 0.000 0.894 802 L HN 0.286 nan 8.230 nan 0.000 0.432 803 A N -0.550 122.255 122.820 -0.026 0.000 1.883 803 A HA -0.293 4.031 4.320 0.007 0.000 0.217 803 A C 2.454 180.013 177.584 -0.042 0.000 1.186 803 A CA 2.122 54.141 52.037 -0.030 0.000 0.624 803 A CB -0.699 18.279 19.000 -0.037 0.000 0.822 803 A HN 0.524 nan 8.150 nan 0.000 0.444 804 K N -0.751 119.622 120.400 -0.045 0.000 2.009 804 K HA -0.244 4.080 4.320 0.007 0.000 0.210 804 K C 2.013 178.596 176.600 -0.027 0.000 1.049 804 K CA 1.871 58.126 56.287 -0.053 0.000 0.929 804 K CB -0.179 32.300 32.500 -0.035 0.000 0.714 804 K HN 0.308 nan 8.250 nan 0.000 0.440 805 E N 0.370 120.565 120.200 -0.008 0.000 2.051 805 E HA -0.135 4.219 4.350 0.007 0.000 0.192 805 E C 1.957 178.573 176.600 0.027 0.000 0.991 805 E CA 1.126 57.532 56.400 0.011 0.000 0.799 805 E CB -0.344 29.360 29.700 0.007 0.000 0.748 805 E HN 0.150 nan 8.360 nan 0.000 0.449 806 V N 0.612 120.539 119.914 0.022 0.000 2.332 806 V HA -0.316 3.808 4.120 0.007 0.000 0.248 806 V C 2.317 178.458 176.094 0.079 0.000 1.055 806 V CA 2.066 64.393 62.300 0.045 0.000 1.038 806 V CB -0.483 31.360 31.823 0.034 0.000 0.651 806 V HN 0.306 nan 8.190 nan 0.000 0.450 807 M N -0.657 118.974 119.600 0.052 0.000 2.099 807 M HA -0.161 4.323 4.480 0.007 0.000 0.262 807 M C 2.211 178.655 176.300 0.239 0.000 1.067 807 M CA 1.826 57.186 55.300 0.100 0.000 1.124 807 M CB -0.544 31.941 32.600 -0.191 0.000 1.353 807 M HN 0.351 nan 8.290 nan 0.000 0.410 808 E N -0.065 120.218 120.200 0.139 0.000 2.204 808 E HA -0.103 4.251 4.350 0.007 0.000 0.195 808 E C 1.785 178.467 176.600 0.138 0.000 0.990 808 E CA 1.029 57.532 56.400 0.171 0.000 0.821 808 E CB -0.232 29.520 29.700 0.087 0.000 0.750 808 E HN 0.600 nan 8.360 nan 0.000 0.477 809 G N 0.864 109.732 108.800 0.113 0.000 3.233 809 G HA2 0.006 3.970 3.960 0.007 0.000 0.234 809 G HA3 0.006 3.970 3.960 0.007 0.000 0.234 809 G C 1.322 176.294 174.900 0.120 0.000 1.137 809 G CA -0.126 45.028 45.100 0.090 0.000 0.763 809 G HN 0.145 nan 8.290 nan 0.000 0.549 810 V N -0.116 119.902 119.914 0.173 0.000 2.250 810 V HA -0.120 4.004 4.120 0.007 0.000 0.253 810 V C 0.578 176.852 176.094 0.301 0.000 1.065 810 V CA 1.776 64.210 62.300 0.224 0.000 1.039 810 V CB -0.181 31.793 31.823 0.253 0.000 0.647 810 V HN 0.399 nan 8.190 nan 0.000 0.446 811 Y N 0.342 120.700 120.300 0.097 0.000 2.301 811 Y HA 0.498 5.052 4.550 0.006 0.000 0.334 811 Y C -2.641 173.266 175.900 0.013 0.000 1.158 811 Y CA -2.428 55.729 58.100 0.096 0.000 1.266 811 Y CB 0.914 39.495 38.460 0.201 0.000 1.153 811 Y HN 0.217 nan 8.280 nan 0.000 0.453 812 P HA 0.125 nan 4.420 nan 0.000 0.264 812 P C -0.568 176.648 177.300 -0.140 0.000 1.183 812 P CA 0.712 63.743 63.100 -0.114 0.000 0.763 812 P CB 0.739 32.371 31.700 -0.113 0.000 0.807 813 L N 1.656 122.832 121.223 -0.077 0.000 2.293 813 L HA 0.598 4.942 4.340 0.007 0.000 0.264 813 L C 1.437 178.401 176.870 0.156 0.000 1.029 813 L CA -1.100 53.717 54.840 -0.037 0.000 0.897 813 L CB 0.590 42.521 42.059 -0.214 0.000 1.497 813 L HN 0.202 nan 8.230 nan 0.000 0.495 814 A N -0.082 122.983 122.820 0.408 0.000 2.235 814 A HA 0.340 4.664 4.320 0.007 0.000 0.208 814 A C 0.178 177.820 177.584 0.097 0.000 1.172 814 A CA 0.440 52.575 52.037 0.165 0.000 0.786 814 A CB -0.344 18.687 19.000 0.052 0.000 0.804 814 A HN 0.259 nan 8.150 nan 0.000 0.479 815 V N 0.946 120.905 119.914 0.076 0.000 2.932 815 V HA 0.341 4.466 4.120 0.007 0.000 0.307 815 V C -2.583 173.496 176.094 -0.025 0.000 1.147 815 V CA -1.690 60.626 62.300 0.026 0.000 0.951 815 V CB 2.677 34.486 31.823 -0.023 0.000 1.031 815 V HN 0.233 nan 8.190 nan 0.000 0.426 816 P HA 0.328 nan 4.420 nan 0.000 0.274 816 P C -1.230 176.039 177.300 -0.051 0.000 1.231 816 P CA -0.221 62.874 63.100 -0.009 0.000 0.790 816 P CB 1.207 32.923 31.700 0.027 0.000 0.951 817 L N 2.012 123.232 121.223 -0.006 0.000 2.296 817 L HA 0.388 4.732 4.340 0.007 0.000 0.286 817 L C 0.764 177.697 176.870 0.107 0.000 1.023 817 L CA -0.415 54.444 54.840 0.031 0.000 0.812 817 L CB 1.174 43.283 42.059 0.084 0.000 1.223 817 L HN 0.335 nan 8.230 nan 0.000 0.421 818 E N 2.557 122.826 120.200 0.115 0.000 2.171 818 E HA 0.494 4.848 4.350 0.007 0.000 0.271 818 E C -1.260 175.409 176.600 0.114 0.000 0.916 818 E CA -0.659 55.802 56.400 0.102 0.000 0.774 818 E CB 2.989 32.738 29.700 0.082 0.000 1.128 818 E HN 0.211 nan 8.360 nan 0.000 0.403 819 V N 2.931 122.863 119.914 0.030 0.000 2.409 819 V HA 0.190 4.314 4.120 0.007 0.000 0.291 819 V C -0.258 175.819 176.094 -0.028 0.000 1.020 819 V CA -0.776 61.483 62.300 -0.068 0.000 0.848 819 V CB 1.669 33.361 31.823 -0.219 0.000 0.990 819 V HN 0.606 nan 8.190 nan 0.000 0.430 820 E N 3.384 123.580 120.200 -0.006 0.000 2.283 820 E HA 0.571 4.925 4.350 0.007 0.000 0.278 820 E C -0.984 175.616 176.600 -0.001 0.000 1.027 820 E CA 0.014 56.424 56.400 0.017 0.000 0.843 820 E CB 1.559 31.287 29.700 0.047 0.000 1.062 820 E HN 0.437 nan 8.360 nan 0.000 0.401 821 V N 2.745 122.662 119.914 0.005 0.000 2.735 821 V HA 0.892 5.017 4.120 0.007 0.000 0.310 821 V C 0.268 176.373 176.094 0.019 0.000 1.061 821 V CA -0.503 61.799 62.300 0.003 0.000 0.913 821 V CB 2.029 33.846 31.823 -0.010 0.000 1.005 821 V HN 0.713 nan 8.190 nan 0.000 0.428 822 G N 3.053 111.869 108.800 0.028 0.000 2.659 822 G HA2 0.828 4.792 3.960 0.007 0.000 0.296 822 G HA3 0.828 4.792 3.960 0.007 0.000 0.296 822 G C -1.641 173.281 174.900 0.037 0.000 1.369 822 G CA -0.565 44.557 45.100 0.037 0.000 0.937 822 G HN 0.584 nan 8.290 nan 0.000 0.485 823 I N 0.301 120.892 120.570 0.035 0.000 2.647 823 I HA 0.805 4.979 4.170 0.007 0.000 0.295 823 I C 0.356 176.499 176.117 0.042 0.000 1.078 823 I CA -0.685 60.635 61.300 0.034 0.000 1.048 823 I CB 2.565 40.576 38.000 0.019 0.000 1.239 823 I HN 0.882 nan 8.210 nan 0.000 0.421 824 G N 3.315 112.146 108.800 0.051 0.000 2.451 824 G HA2 0.219 4.183 3.960 0.007 0.000 0.292 824 G HA3 0.219 4.183 3.960 0.007 0.000 0.292 824 G C -0.284 174.652 174.900 0.061 0.000 1.427 824 G CA -0.427 44.705 45.100 0.054 0.000 0.792 824 G HN 0.545 nan 8.290 nan 0.000 0.498 825 E N -0.333 119.899 120.200 0.054 0.000 2.274 825 E HA -0.006 4.348 4.350 0.007 0.000 0.194 825 E C 0.171 176.809 176.600 0.065 0.000 0.996 825 E CA 1.117 57.549 56.400 0.053 0.000 0.840 825 E CB 0.210 29.929 29.700 0.032 0.000 0.772 825 E HN 0.650 nan 8.360 nan 0.000 0.491 826 D N -1.796 118.656 120.400 0.087 0.000 2.547 826 D HA -0.028 4.616 4.640 0.007 0.000 0.231 826 D C 0.345 176.784 176.300 0.232 0.000 1.099 826 D CA -0.785 53.300 54.000 0.142 0.000 0.901 826 D CB 0.912 41.775 40.800 0.105 0.000 1.478 826 D HN -0.174 nan 8.370 nan 0.000 0.471 827 W N 1.207 122.558 121.300 0.084 0.000 2.304 827 W HA -0.221 4.443 4.660 0.007 0.000 0.315 827 W C 1.855 178.387 176.519 0.021 0.000 1.233 827 W CA 1.082 58.455 57.345 0.046 0.000 1.261 827 W CB -0.809 28.663 29.460 0.020 0.000 1.150 827 W HN 0.536 nan 8.180 nan 0.000 0.494 828 L N 1.022 122.378 121.223 0.222 0.000 1.989 828 L HA -0.242 4.102 4.340 0.007 0.000 0.211 828 L C 2.602 179.526 176.870 0.089 0.000 1.071 828 L CA 2.873 57.753 54.840 0.067 0.000 0.749 828 L CB -1.339 40.741 42.059 0.035 0.000 0.890 828 L HN -0.183 nan 8.230 nan 0.000 0.431 829 S N -0.359 115.400 115.700 0.098 0.000 2.419 829 S HA -0.132 4.342 4.470 0.007 0.000 0.233 829 S C 2.050 176.703 174.600 0.089 0.000 1.016 829 S CA 0.893 59.138 58.200 0.075 0.000 0.974 829 S CB -0.565 62.672 63.200 0.061 0.000 0.786 829 S HN 0.657 nan 8.310 nan 0.000 0.492 830 A N 1.488 124.390 122.820 0.137 0.000 1.902 830 A HA -0.050 4.274 4.320 0.007 0.000 0.217 830 A C 1.298 178.956 177.584 0.123 0.000 1.181 830 A CA 1.044 53.162 52.037 0.134 0.000 0.623 830 A CB -0.053 19.054 19.000 0.179 0.000 0.818 830 A HN 0.380 nan 8.150 nan 0.000 0.443 831 K N 0.000 120.484 120.400 0.140 0.000 2.780 831 K HA 0.000 4.324 4.320 0.007 0.000 0.191 831 K CA 0.000 56.345 56.287 0.096 0.000 0.838 831 K CB 0.000 32.560 32.500 0.100 0.000 1.064 831 K HN 0.000 nan 8.250 nan 0.000 0.543