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 3lwl_1_A DATA FIRST_RESID 295 DATA SEQUENCE EEAPWPPPEG AFVGFVLSRK EPMWADLLAL AAARGGRVHR APEPYKALRD DATA SEQUENCE LKEARGLLAK DLSVLALREG LGLPPGDDPM LLAYLLDPSN TTPEGVARRY DATA SEQUENCE GGEWTEEAGE RAALSERLFA NLWGRLEGEE RLLWLYREVE RPLSAVLAHM DATA SEQUENCE EATGVRLDVA YLRALSLEVA EEIARLEAEV FRLAGHPFNL NSRDQLERVL DATA SEQUENCE FDELGLPAIG KTEKTGKRST SAAVLEALRE AHPIVEKILQ YRELTKLKST DATA SEQUENCE YIDPLPDLIH PRTGRLHTRF NQTATATGRL SSSDPNLQNI PVRTPLGQRI DATA SEQUENCE RRAFIAEEGW LLVALDYSQI ELRVLAHLSG DENLIRVFQE GRDIHTETAS DATA SEQUENCE WMFGVPREXX XXLMRRAAKT INFGVLYGMS AHRLSQELAI PYEEAQAFIE DATA SEQUENCE RYFQSFPKVR AWIEKTLEEG RRRGYVETLF GRRRYVPDLE ARVKSVREAA DATA SEQUENCE ERMAFNMPVQ GTAADLMKLA MVKLFPRLEE MGARMLLQVH DELVLEAPKE DATA SEQUENCE RAEAVARLAK EVMEGVYPLA VPLEVEVGIG EDWLSAKE 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 295 E HA 0.000 nan 4.350 nan 0.000 0.291 295 E C 0.000 176.541 176.600 -0.098 0.000 1.382 295 E CA 0.000 56.370 56.400 -0.050 0.000 0.976 295 E CB 0.000 29.680 29.700 -0.033 0.000 0.812 296 E N 1.363 121.509 120.200 -0.089 0.000 2.081 296 E HA 0.677 5.041 4.350 0.023 0.000 0.276 296 E C -0.588 175.930 176.600 -0.136 0.000 0.950 296 E CA -0.676 55.656 56.400 -0.114 0.000 0.776 296 E CB 1.357 31.026 29.700 -0.052 0.000 1.094 296 E HN 0.313 nan 8.360 nan 0.000 0.402 297 A N 4.584 127.237 122.820 -0.277 0.000 2.354 297 A HA 0.699 5.033 4.320 0.023 0.000 0.321 297 A C -2.506 175.081 177.584 0.004 0.000 1.125 297 A CA -1.765 50.166 52.037 -0.176 0.000 0.799 297 A CB 0.812 19.675 19.000 -0.227 0.000 1.293 297 A HN 0.334 nan 8.150 nan 0.000 0.452 298 P HA 0.047 nan 4.420 nan 0.000 0.272 298 P C -0.378 177.116 177.300 0.324 0.000 1.223 298 P CA -0.225 62.993 63.100 0.198 0.000 0.784 298 P CB 0.434 32.214 31.700 0.132 0.000 0.923 299 W N 4.029 125.402 121.300 0.122 0.000 2.190 299 W HA 0.180 4.854 4.660 0.023 0.000 0.330 299 W C -2.142 174.398 176.519 0.035 0.000 1.299 299 W CA -1.036 56.357 57.345 0.080 0.000 1.215 299 W CB 0.191 29.682 29.460 0.051 0.000 1.147 299 W HN 0.372 nan 8.180 nan 0.000 0.563 300 P HA 0.490 nan 4.420 nan 0.000 0.281 300 P C -2.651 174.129 177.300 -0.867 0.000 1.281 300 P CA -1.304 61.101 63.100 -1.158 0.000 0.811 300 P CB 0.695 31.919 31.700 -0.794 0.000 1.154 301 P HA 0.468 nan 4.420 nan 0.000 0.285 301 P C -2.601 174.326 177.300 -0.622 0.000 1.285 301 P CA -1.991 60.458 63.100 -1.085 0.000 0.854 301 P CB -0.825 30.220 31.700 -1.091 0.000 1.180 302 P HA 0.133 nan 4.420 nan 0.000 0.272 302 P C -0.220 176.920 177.300 -0.267 0.000 1.240 302 P CA -0.266 62.668 63.100 -0.277 0.000 0.791 302 P CB 0.155 31.744 31.700 -0.185 0.000 0.978 303 E N -0.047 120.027 120.200 -0.209 0.000 2.404 303 E HA 0.317 4.681 4.350 0.023 0.000 0.261 303 E C 0.660 177.132 176.600 -0.214 0.000 1.074 303 E CA -0.208 56.072 56.400 -0.199 0.000 0.917 303 E CB -0.396 29.210 29.700 -0.157 0.000 0.965 303 E HN 0.723 nan 8.360 nan 0.000 0.433 304 G N 1.301 109.954 108.800 -0.245 0.000 2.159 304 G HA2 -0.281 3.693 3.960 0.023 0.000 0.256 304 G HA3 -0.281 3.693 3.960 0.023 0.000 0.256 304 G C 0.294 174.942 174.900 -0.420 0.000 0.977 304 G CA -0.033 44.874 45.100 -0.321 0.000 0.652 304 G HN 0.989 nan 8.290 nan 0.000 0.531 305 A N -0.080 122.548 122.820 -0.320 0.000 2.401 305 A HA 0.682 5.016 4.320 0.023 0.000 0.259 305 A C 0.163 177.592 177.584 -0.258 0.000 1.103 305 A CA -0.322 51.562 52.037 -0.255 0.000 0.789 305 A CB 0.157 19.053 19.000 -0.174 0.000 1.035 305 A HN 0.641 nan 8.150 nan 0.000 0.491 306 F N 1.985 121.902 119.950 -0.056 0.000 2.541 306 F HA 0.278 4.819 4.527 0.023 0.000 0.378 306 F C 0.816 176.646 175.800 0.049 0.000 1.068 306 F CA 0.550 58.536 58.000 -0.023 0.000 1.199 306 F CB 0.714 39.708 39.000 -0.009 0.000 1.091 306 F HN 0.339 nan 8.300 nan 0.000 0.555 307 V N 3.830 123.886 119.914 0.237 0.000 2.686 307 V HA 0.811 4.945 4.120 0.023 0.000 0.295 307 V C 0.161 176.450 176.094 0.325 0.000 1.057 307 V CA -0.202 62.247 62.300 0.249 0.000 1.012 307 V CB 1.271 33.212 31.823 0.196 0.000 1.006 307 V HN 0.818 nan 8.190 nan 0.000 0.477 308 G N 5.496 114.484 108.800 0.313 0.000 2.617 308 G HA2 0.744 4.718 3.960 0.023 0.000 0.306 308 G HA3 0.744 4.718 3.960 0.023 0.000 0.306 308 G C -1.358 173.722 174.900 0.300 0.000 1.360 308 G CA -0.588 44.670 45.100 0.262 0.000 0.983 308 G HN 1.048 nan 8.290 nan 0.000 0.496 309 F N 0.210 120.192 119.950 0.053 0.000 2.613 309 F HA 0.819 5.360 4.527 0.023 0.000 0.310 309 F C -1.175 174.621 175.800 -0.007 0.000 1.085 309 F CA -1.539 56.465 58.000 0.008 0.000 0.945 309 F CB 2.002 41.006 39.000 0.007 0.000 1.298 309 F HN 0.365 nan 8.300 nan 0.000 0.455 310 V N 3.507 123.443 119.914 0.037 0.000 2.487 310 V HA 0.522 4.656 4.120 0.023 0.000 0.298 310 V C -0.336 175.798 176.094 0.066 0.000 1.028 310 V CA -0.670 61.604 62.300 -0.044 0.000 0.860 310 V CB 1.582 33.360 31.823 -0.075 0.000 0.991 310 V HN 0.740 nan 8.190 nan 0.000 0.427 311 L N 3.132 124.403 121.223 0.080 0.000 2.330 311 L HA 0.464 4.818 4.340 0.023 0.000 0.271 311 L C 1.456 178.372 176.870 0.078 0.000 1.013 311 L CA -0.417 54.494 54.840 0.118 0.000 0.816 311 L CB 2.189 44.359 42.059 0.186 0.000 1.287 311 L HN 0.770 nan 8.230 nan 0.000 0.435 312 S N 0.890 116.641 115.700 0.084 0.000 2.481 312 S HA 0.016 4.500 4.470 0.023 0.000 0.231 312 S C 0.552 175.197 174.600 0.075 0.000 0.996 312 S CA 0.045 58.287 58.200 0.071 0.000 0.942 312 S CB -0.115 63.133 63.200 0.079 0.000 0.768 312 S HN 0.776 nan 8.310 nan 0.000 0.520 313 R N 0.115 120.675 120.500 0.099 0.000 2.716 313 R HA 0.414 4.768 4.340 0.023 0.000 0.271 313 R C 0.118 176.491 176.300 0.121 0.000 1.028 313 R CA -0.867 55.291 56.100 0.098 0.000 0.883 313 R CB 0.669 31.027 30.300 0.097 0.000 1.250 313 R HN 0.074 nan 8.270 nan 0.000 0.465 314 K N 0.146 120.611 120.400 0.108 0.000 2.211 314 K HA -0.028 4.306 4.320 0.023 0.000 0.203 314 K C -0.526 176.158 176.600 0.141 0.000 1.050 314 K CA 1.107 57.464 56.287 0.117 0.000 0.945 314 K CB -0.031 32.521 32.500 0.088 0.000 0.732 314 K HN 0.516 nan 8.250 nan 0.000 0.451 315 E N 2.353 122.652 120.200 0.165 0.000 2.129 315 E HA 0.087 4.451 4.350 0.023 0.000 0.283 315 E C -2.065 174.661 176.600 0.210 0.000 1.080 315 E CA -2.147 54.381 56.400 0.214 0.000 0.867 315 E CB 1.322 31.221 29.700 0.330 0.000 1.056 315 E HN 0.053 nan 8.360 nan 0.000 0.404 316 P HA -0.202 nan 4.420 nan 0.000 0.216 316 P C 0.992 178.298 177.300 0.009 0.000 1.150 316 P CA 1.212 64.359 63.100 0.079 0.000 0.843 316 P CB 0.175 31.898 31.700 0.037 0.000 0.787 317 M N -3.392 116.174 119.600 -0.056 0.000 2.460 317 M HA -0.065 4.429 4.480 0.023 0.000 0.263 317 M C 1.061 177.149 176.300 -0.354 0.000 1.071 317 M CA 1.329 56.435 55.300 -0.324 0.000 1.096 317 M CB -1.198 31.081 32.600 -0.535 0.000 1.408 317 M HN 0.112 nan 8.290 nan 0.000 0.463 318 W N -0.465 120.885 121.300 0.083 0.000 2.975 318 W HA 0.417 5.090 4.660 0.023 0.000 0.316 318 W C 0.790 177.357 176.519 0.080 0.000 1.131 318 W CA -0.299 57.106 57.345 0.099 0.000 1.624 318 W CB 0.237 29.739 29.460 0.069 0.000 1.038 318 W HN -0.050 nan 8.180 nan 0.000 0.571 319 A N 1.068 124.036 122.820 0.247 0.000 2.354 319 A HA 0.304 4.638 4.320 0.023 0.000 0.269 319 A C -0.566 177.121 177.584 0.172 0.000 1.109 319 A CA -0.212 51.941 52.037 0.194 0.000 0.800 319 A CB 0.245 19.346 19.000 0.167 0.000 1.045 319 A HN 0.008 nan 8.150 nan 0.000 0.489 320 D N 1.165 121.665 120.400 0.166 0.000 2.308 320 D HA 0.288 4.942 4.640 0.023 0.000 0.251 320 D C -0.542 175.829 176.300 0.119 0.000 1.127 320 D CA -0.177 53.939 54.000 0.193 0.000 0.876 320 D CB 0.792 41.691 40.800 0.164 0.000 1.176 320 D HN 0.288 nan 8.370 nan 0.000 0.446 321 L N 5.529 126.766 121.223 0.023 0.000 2.363 321 L HA 0.177 4.531 4.340 0.023 0.000 0.286 321 L C 0.542 177.334 176.870 -0.129 0.000 1.106 321 L CA 0.189 54.921 54.840 -0.180 0.000 0.859 321 L CB 0.073 41.772 42.059 -0.599 0.000 1.223 321 L HN 0.597 nan 8.230 nan 0.000 0.446 322 L N 4.416 125.621 121.223 -0.029 0.000 2.131 322 L HA 0.250 4.604 4.340 0.023 0.000 0.206 322 L C 0.931 177.772 176.870 -0.049 0.000 1.087 322 L CA 0.804 55.634 54.840 -0.016 0.000 0.767 322 L CB -0.369 41.690 42.059 0.000 0.000 0.917 322 L HN 0.780 nan 8.230 nan 0.000 0.441 323 A N -0.383 122.405 122.820 -0.054 0.000 2.606 323 A HA 0.676 5.010 4.320 0.023 0.000 0.293 323 A C -1.898 175.659 177.584 -0.045 0.000 1.082 323 A CA -0.359 51.638 52.037 -0.067 0.000 0.685 323 A CB 2.002 20.971 19.000 -0.052 0.000 1.284 323 A HN -0.046 nan 8.150 nan 0.000 0.408 324 L N 0.828 121.997 121.223 -0.091 0.000 2.476 324 L HA 0.861 5.215 4.340 0.023 0.000 0.269 324 L C -0.306 176.551 176.870 -0.022 0.000 0.965 324 L CA 0.231 55.040 54.840 -0.052 0.000 0.845 324 L CB 1.481 43.434 42.059 -0.176 0.000 1.259 324 L HN 1.580 nan 8.230 nan 0.000 0.403 325 A N 3.631 126.550 122.820 0.164 0.000 2.527 325 A HA 1.053 5.387 4.320 0.023 0.000 0.293 325 A C -1.403 176.407 177.584 0.375 0.000 1.117 325 A CA -0.079 52.134 52.037 0.295 0.000 0.723 325 A CB 1.856 20.962 19.000 0.177 0.000 1.313 325 A HN 1.324 nan 8.150 nan 0.000 0.411 326 A N -0.261 122.801 122.820 0.402 0.000 2.449 326 A HA 0.892 5.226 4.320 0.023 0.000 0.302 326 A C -0.468 177.274 177.584 0.263 0.000 1.048 326 A CA 0.063 52.253 52.037 0.254 0.000 0.708 326 A CB 1.452 20.495 19.000 0.072 0.000 1.274 326 A HN 2.462 nan 8.150 nan 0.000 0.410 327 A N 1.589 124.543 122.820 0.224 0.000 2.356 327 A HA 0.885 5.219 4.320 0.023 0.000 0.310 327 A C -0.331 177.379 177.584 0.210 0.000 1.075 327 A CA -0.584 51.590 52.037 0.230 0.000 0.746 327 A CB 1.132 20.248 19.000 0.194 0.000 1.221 327 A HN 1.044 nan 8.150 nan 0.000 0.443 328 R N 1.820 122.429 120.500 0.183 0.000 2.515 328 R HA 0.500 4.854 4.340 0.023 0.000 0.278 328 R C 0.315 176.683 176.300 0.114 0.000 1.107 328 R CA 0.362 56.536 56.100 0.122 0.000 0.945 328 R CB 1.433 31.746 30.300 0.021 0.000 1.219 328 R HN 2.171 nan 8.270 nan 0.000 0.434 329 G N 2.332 111.191 108.800 0.099 0.000 2.338 329 G HA2 -0.196 3.778 3.960 0.023 0.000 0.296 329 G HA3 -0.196 3.778 3.960 0.023 0.000 0.296 329 G C 0.860 175.803 174.900 0.071 0.000 1.040 329 G CA 0.731 45.877 45.100 0.076 0.000 1.004 329 G HN 1.597 nan 8.290 nan 0.000 0.509 330 G N -0.886 107.964 108.800 0.082 0.000 2.238 330 G HA2 -0.384 3.590 3.960 0.023 0.000 0.270 330 G HA3 -0.384 3.590 3.960 0.023 0.000 0.270 330 G C 0.674 175.602 174.900 0.047 0.000 0.977 330 G CA 1.521 46.658 45.100 0.061 0.000 0.639 330 G HN 1.377 nan 8.290 nan 0.000 0.544 331 R N 0.191 120.724 120.500 0.056 0.000 2.265 331 R HA 0.513 4.867 4.340 0.023 0.000 0.314 331 R C -0.370 175.931 176.300 0.001 0.000 1.053 331 R CA -0.438 55.662 56.100 -0.001 0.000 0.931 331 R CB 0.837 31.140 30.300 0.005 0.000 1.024 331 R HN 0.046 nan 8.270 nan 0.000 0.457 332 V N 5.180 125.041 119.914 -0.089 0.000 2.394 332 V HA 0.254 4.388 4.120 0.023 0.000 0.282 332 V C -0.790 175.213 176.094 -0.150 0.000 1.031 332 V CA -0.684 61.609 62.300 -0.012 0.000 0.881 332 V CB 1.347 33.182 31.823 0.019 0.000 0.982 332 V HN 0.815 nan 8.190 nan 0.000 0.451 333 H N 3.776 122.917 119.070 0.119 0.000 2.505 333 H HA 0.653 5.223 4.556 0.023 0.000 0.338 333 H C -0.258 175.265 175.328 0.325 0.000 1.057 333 H CA -0.603 55.562 56.048 0.196 0.000 1.202 333 H CB 1.076 30.923 29.762 0.141 0.000 1.466 333 H HN 0.469 nan 8.280 nan 0.000 0.499 334 R N 1.825 122.540 120.500 0.358 0.000 2.387 334 R HA 0.657 5.011 4.340 0.023 0.000 0.314 334 R C -0.623 175.739 176.300 0.104 0.000 0.958 334 R CA -1.040 55.187 56.100 0.212 0.000 0.846 334 R CB 1.948 32.298 30.300 0.084 0.000 1.147 334 R HN 0.692 nan 8.270 nan 0.000 0.447 335 A N 4.649 127.310 122.820 -0.265 0.000 2.409 335 A HA 0.291 4.625 4.320 0.023 0.000 0.267 335 A C -1.578 175.776 177.584 -0.382 0.000 1.127 335 A CA -1.264 50.316 52.037 -0.761 0.000 0.795 335 A CB 0.264 18.312 19.000 -1.585 0.000 1.061 335 A HN 0.533 nan 8.150 nan 0.000 0.502 336 P HA -0.086 nan 4.420 nan 0.000 0.215 336 P C 0.233 177.446 177.300 -0.145 0.000 1.153 336 P CA 1.187 64.202 63.100 -0.141 0.000 0.853 336 P CB 0.389 32.039 31.700 -0.084 0.000 0.788 337 E N -1.672 118.410 120.200 -0.197 0.000 2.279 337 E HA 0.173 4.537 4.350 0.023 0.000 0.252 337 E C -2.158 174.328 176.600 -0.189 0.000 0.894 337 E CA -2.594 53.729 56.400 -0.128 0.000 0.785 337 E CB 1.349 31.016 29.700 -0.054 0.000 1.237 337 E HN -0.111 nan 8.360 nan 0.000 0.418 338 P HA -0.179 nan 4.420 nan 0.000 0.216 338 P C 0.870 178.013 177.300 -0.262 0.000 1.157 338 P CA 1.396 64.322 63.100 -0.290 0.000 0.880 338 P CB 0.072 31.592 31.700 -0.301 0.000 0.791 339 Y N 0.120 120.360 120.300 -0.101 0.000 2.089 339 Y HA -0.185 4.379 4.550 0.023 0.000 0.282 339 Y C 2.702 178.562 175.900 -0.066 0.000 1.139 339 Y CA 1.685 59.743 58.100 -0.070 0.000 1.123 339 Y CB -0.957 37.472 38.460 -0.052 0.000 0.980 339 Y HN -0.132 nan 8.280 nan 0.000 0.493 340 K N 0.416 120.872 120.400 0.093 0.000 2.044 340 K HA -0.259 4.075 4.320 0.023 0.000 0.210 340 K C 2.208 178.820 176.600 0.019 0.000 1.049 340 K CA 1.546 57.857 56.287 0.039 0.000 0.927 340 K CB -0.433 32.073 32.500 0.010 0.000 0.713 340 K HN 0.298 nan 8.250 nan 0.000 0.443 341 A N 1.019 123.785 122.820 -0.089 0.000 2.070 341 A HA -0.130 4.204 4.320 0.023 0.000 0.220 341 A C 1.968 179.626 177.584 0.123 0.000 1.159 341 A CA 1.032 53.014 52.037 -0.093 0.000 0.656 341 A CB -0.449 18.095 19.000 -0.761 0.000 0.800 341 A HN 0.364 nan 8.150 nan 0.000 0.453 342 L N -0.552 120.685 121.223 0.024 0.000 2.079 342 L HA -0.110 4.244 4.340 0.023 0.000 0.210 342 L C 2.308 179.222 176.870 0.072 0.000 1.081 342 L CA 1.728 56.590 54.840 0.036 0.000 0.752 342 L CB -0.521 41.524 42.059 -0.024 0.000 0.896 342 L HN 0.261 nan 8.230 nan 0.000 0.433 343 R N -0.168 120.379 120.500 0.079 0.000 2.241 343 R HA -0.091 4.263 4.340 0.023 0.000 0.224 343 R C 1.527 177.872 176.300 0.074 0.000 1.101 343 R CA 0.882 57.021 56.100 0.065 0.000 0.995 343 R CB -0.534 29.801 30.300 0.059 0.000 0.870 343 R HN 0.424 nan 8.270 nan 0.000 0.463 344 D N -0.391 120.088 120.400 0.131 0.000 2.305 344 D HA 0.013 4.667 4.640 0.023 0.000 0.206 344 D C 0.239 176.551 176.300 0.020 0.000 0.974 344 D CA 0.404 54.461 54.000 0.095 0.000 0.871 344 D CB 0.201 41.108 40.800 0.180 0.000 0.947 344 D HN 0.171 nan 8.370 nan 0.000 0.516 345 L N 1.111 122.359 121.223 0.043 0.000 2.371 345 L HA 0.199 4.553 4.340 0.023 0.000 0.272 345 L C 1.377 178.227 176.870 -0.033 0.000 1.124 345 L CA -0.342 54.490 54.840 -0.013 0.000 0.816 345 L CB 0.957 43.023 42.059 0.011 0.000 1.129 345 L HN -0.143 nan 8.230 nan 0.000 0.448 346 K N 0.380 120.744 120.400 -0.060 0.000 2.355 346 K HA 0.286 4.620 4.320 0.023 0.000 0.198 346 K C 0.036 176.599 176.600 -0.062 0.000 1.039 346 K CA -0.004 56.250 56.287 -0.055 0.000 1.075 346 K CB 0.712 33.175 32.500 -0.062 0.000 0.870 346 K HN 0.569 nan 8.250 nan 0.000 0.540 347 E N -0.155 120.000 120.200 -0.075 0.000 2.380 347 E HA 0.498 4.862 4.350 0.023 0.000 0.281 347 E C -1.754 174.795 176.600 -0.085 0.000 0.999 347 E CA -0.837 55.514 56.400 -0.082 0.000 0.800 347 E CB 1.838 31.480 29.700 -0.098 0.000 1.228 347 E HN 0.163 nan 8.360 nan 0.000 0.436 348 A N 4.312 127.084 122.820 -0.079 0.000 2.366 348 A HA 0.499 4.833 4.320 0.023 0.000 0.322 348 A C -0.474 177.084 177.584 -0.043 0.000 1.397 348 A CA -0.390 51.608 52.037 -0.066 0.000 0.984 348 A CB 0.105 19.050 19.000 -0.091 0.000 1.149 348 A HN 0.461 nan 8.150 nan 0.000 0.540 349 R N 1.937 122.408 120.500 -0.049 0.000 2.343 349 R HA 0.672 5.026 4.340 0.023 0.000 0.320 349 R C 0.294 176.666 176.300 0.120 0.000 0.956 349 R CA 0.263 56.334 56.100 -0.049 0.000 0.836 349 R CB 1.895 32.033 30.300 -0.269 0.000 1.151 349 R HN 1.071 nan 8.270 nan 0.000 0.450 350 G N 1.842 110.780 108.800 0.230 0.000 2.356 350 G HA2 0.039 4.013 3.960 0.023 0.000 0.288 350 G HA3 0.039 4.013 3.960 0.023 0.000 0.288 350 G C -1.299 173.763 174.900 0.270 0.000 1.302 350 G CA -1.178 44.124 45.100 0.337 0.000 0.887 350 G HN 0.357 nan 8.290 nan 0.000 0.521 351 L N 1.164 122.536 121.223 0.248 0.000 2.490 351 L HA 0.277 4.631 4.340 0.023 0.000 0.274 351 L C 1.334 178.343 176.870 0.232 0.000 1.201 351 L CA 0.026 54.971 54.840 0.176 0.000 0.869 351 L CB 0.221 42.353 42.059 0.122 0.000 1.123 351 L HN 0.676 nan 8.230 nan 0.000 0.484 352 L N 2.055 123.369 121.223 0.152 0.000 3.737 352 L HA -0.343 4.011 4.340 0.023 0.000 0.418 352 L C 1.701 178.765 176.870 0.324 0.000 1.216 352 L CA 0.296 55.262 54.840 0.209 0.000 0.915 352 L CB -1.687 40.498 42.059 0.210 0.000 1.834 352 L HN 0.933 nan 8.230 nan 0.000 0.943 353 A N 0.435 123.388 122.820 0.222 0.000 1.917 353 A HA -0.258 4.076 4.320 0.023 0.000 0.219 353 A C 2.263 179.864 177.584 0.029 0.000 1.182 353 A CA 2.202 54.319 52.037 0.132 0.000 0.633 353 A CB -0.280 18.776 19.000 0.092 0.000 0.819 353 A HN 0.650 nan 8.150 nan 0.000 0.448 354 K N -0.461 119.962 120.400 0.038 0.000 2.063 354 K HA -0.251 4.083 4.320 0.023 0.000 0.208 354 K C 1.353 177.942 176.600 -0.018 0.000 1.048 354 K CA 1.911 58.193 56.287 -0.008 0.000 0.928 354 K CB -0.289 32.215 32.500 0.007 0.000 0.713 354 K HN 0.378 nan 8.250 nan 0.000 0.442 355 D N 0.813 121.246 120.400 0.054 0.000 2.104 355 D HA -0.191 4.463 4.640 0.023 0.000 0.194 355 D C 1.801 178.031 176.300 -0.117 0.000 0.994 355 D CA 1.019 55.058 54.000 0.065 0.000 0.830 355 D CB -0.225 40.741 40.800 0.276 0.000 0.959 355 D HN 0.178 nan 8.370 nan 0.000 0.452 356 L N 0.178 121.171 121.223 -0.384 0.000 2.093 356 L HA -0.072 4.282 4.340 0.023 0.000 0.208 356 L C 2.199 178.872 176.870 -0.328 0.000 1.085 356 L CA 1.415 55.865 54.840 -0.651 0.000 0.755 356 L CB -0.724 40.672 42.059 -1.103 0.000 0.904 356 L HN -0.078 nan 8.230 nan 0.000 0.435 357 S N -1.388 114.175 115.700 -0.229 0.000 2.356 357 S HA -0.155 4.329 4.470 0.023 0.000 0.223 357 S C 2.010 176.503 174.600 -0.179 0.000 1.032 357 S CA 1.487 59.577 58.200 -0.183 0.000 1.005 357 S CB -0.393 62.710 63.200 -0.162 0.000 0.867 357 S HN 0.298 nan 8.310 nan 0.000 0.449 358 V N 2.124 121.946 119.914 -0.152 0.000 2.324 358 V HA -0.187 3.948 4.120 0.023 0.000 0.250 358 V C 2.401 178.411 176.094 -0.139 0.000 1.060 358 V CA 2.118 64.338 62.300 -0.133 0.000 1.042 358 V CB -0.714 31.062 31.823 -0.077 0.000 0.650 358 V HN 0.574 nan 8.190 nan 0.000 0.450 359 L N -0.066 121.075 121.223 -0.137 0.000 2.056 359 L HA -0.070 4.284 4.340 0.023 0.000 0.207 359 L C 2.508 179.315 176.870 -0.106 0.000 1.078 359 L CA 1.689 56.458 54.840 -0.119 0.000 0.749 359 L CB -0.499 41.490 42.059 -0.116 0.000 0.901 359 L HN 0.277 nan 8.230 nan 0.000 0.433 360 A N 0.116 122.862 122.820 -0.124 0.000 1.877 360 A HA -0.202 4.132 4.320 0.023 0.000 0.216 360 A C 2.173 179.709 177.584 -0.080 0.000 1.186 360 A CA 1.890 53.872 52.037 -0.092 0.000 0.620 360 A CB -0.925 18.012 19.000 -0.104 0.000 0.822 360 A HN 0.498 nan 8.150 nan 0.000 0.443 361 L N -1.062 120.095 121.223 -0.109 0.000 2.083 361 L HA -0.191 4.163 4.340 0.023 0.000 0.209 361 L C 2.779 179.594 176.870 -0.092 0.000 1.083 361 L CA 1.669 56.452 54.840 -0.095 0.000 0.752 361 L CB -0.474 41.503 42.059 -0.137 0.000 0.899 361 L HN 0.459 nan 8.230 nan 0.000 0.433 362 R N 0.267 120.690 120.500 -0.128 0.000 2.105 362 R HA -0.158 4.196 4.340 0.023 0.000 0.239 362 R C 1.373 177.610 176.300 -0.106 0.000 1.135 362 R CA 1.232 57.231 56.100 -0.168 0.000 0.967 362 R CB 0.087 30.257 30.300 -0.216 0.000 0.861 362 R HN 0.292 nan 8.270 nan 0.000 0.442 363 E N -0.776 119.390 120.200 -0.057 0.000 2.437 363 E HA 0.085 4.449 4.350 0.023 0.000 0.189 363 E C 0.665 177.254 176.600 -0.020 0.000 1.054 363 E CA 0.622 57.010 56.400 -0.020 0.000 0.874 363 E CB 0.808 30.529 29.700 0.035 0.000 1.011 363 E HN 0.592 nan 8.360 nan 0.000 0.474 364 G N 1.308 110.090 108.800 -0.030 0.000 2.143 364 G HA2 -0.278 3.696 3.960 0.023 0.000 0.248 364 G HA3 -0.278 3.696 3.960 0.023 0.000 0.248 364 G C 0.127 175.024 174.900 -0.005 0.000 0.991 364 G CA 0.194 45.285 45.100 -0.015 0.000 0.689 364 G HN 0.234 nan 8.290 nan 0.000 0.522 365 L N 0.316 121.532 121.223 -0.012 0.000 2.296 365 L HA 0.643 4.997 4.340 0.023 0.000 0.286 365 L C 1.232 178.096 176.870 -0.010 0.000 1.023 365 L CA -0.447 54.389 54.840 -0.008 0.000 0.812 365 L CB 1.837 43.889 42.059 -0.012 0.000 1.223 365 L HN 0.116 nan 8.230 nan 0.000 0.421 366 G N 3.805 112.611 108.800 0.010 0.000 3.316 366 G HA2 0.319 4.293 3.960 0.023 0.000 0.255 366 G HA3 0.319 4.293 3.960 0.023 0.000 0.255 366 G C -0.444 174.459 174.900 0.005 0.000 0.880 366 G CA -0.167 44.953 45.100 0.032 0.000 1.956 366 G HN 0.326 nan 8.290 nan 0.000 0.634 367 L N 2.853 124.055 121.223 -0.036 0.000 2.257 367 L HA 0.543 4.897 4.340 0.023 0.000 0.290 367 L C -2.251 174.572 176.870 -0.078 0.000 1.044 367 L CA -2.573 52.234 54.840 -0.055 0.000 0.810 367 L CB 1.648 43.665 42.059 -0.071 0.000 1.193 367 L HN 0.022 nan 8.230 nan 0.000 0.425 368 P HA 0.445 nan 4.420 nan 0.000 0.288 368 P C -2.798 174.456 177.300 -0.077 0.000 1.267 368 P CA -2.157 60.907 63.100 -0.060 0.000 0.815 368 P CB 0.530 32.216 31.700 -0.024 0.000 0.989 369 P HA 0.238 nan 4.420 nan 0.000 0.271 369 P C 0.360 177.625 177.300 -0.058 0.000 1.216 369 P CA 0.362 63.422 63.100 -0.066 0.000 0.776 369 P CB 0.661 32.323 31.700 -0.063 0.000 0.881 370 G N 1.280 110.054 108.800 -0.044 0.000 3.286 370 G HA2 0.211 4.185 3.960 0.023 0.000 0.166 370 G HA3 0.211 4.185 3.960 0.023 0.000 0.166 370 G C -0.721 174.186 174.900 0.011 0.000 1.155 370 G CA -0.414 44.656 45.100 -0.050 0.000 0.871 370 G HN 0.341 nan 8.290 nan 0.000 0.637 371 D N 0.920 121.333 120.400 0.021 0.000 2.506 371 D HA 0.272 4.926 4.640 0.023 0.000 0.234 371 D C -0.921 175.523 176.300 0.240 0.000 1.143 371 D CA 0.980 55.101 54.000 0.200 0.000 0.871 371 D CB 1.375 42.165 40.800 -0.016 0.000 1.190 371 D HN 0.234 nan 8.370 nan 0.000 0.459 372 D N 1.531 122.173 120.400 0.404 0.000 2.616 372 D HA 0.204 4.858 4.640 0.023 0.000 0.238 372 D C -2.197 174.313 176.300 0.350 0.000 1.354 372 D CA -1.906 52.286 54.000 0.321 0.000 0.970 372 D CB 2.051 42.984 40.800 0.223 0.000 1.369 372 D HN -0.135 nan 8.370 nan 0.000 0.585 373 P HA -0.117 nan 4.420 nan 0.000 0.219 373 P C 1.819 179.170 177.300 0.085 0.000 1.146 373 P CA 0.921 64.137 63.100 0.193 0.000 0.808 373 P CB 0.173 31.948 31.700 0.126 0.000 0.779 374 M N -1.463 118.194 119.600 0.094 0.000 2.149 374 M HA -0.112 4.382 4.480 0.023 0.000 0.261 374 M C 2.064 178.440 176.300 0.127 0.000 1.064 374 M CA 1.600 56.937 55.300 0.063 0.000 1.102 374 M CB -1.571 31.041 32.600 0.020 0.000 1.369 374 M HN 0.042 nan 8.290 nan 0.000 0.408 375 L N -0.686 120.654 121.223 0.194 0.000 2.093 375 L HA -0.190 4.164 4.340 0.023 0.000 0.208 375 L C 2.387 179.408 176.870 0.252 0.000 1.085 375 L CA 0.823 55.838 54.840 0.290 0.000 0.755 375 L CB -0.664 41.660 42.059 0.441 0.000 0.904 375 L HN 0.279 nan 8.230 nan 0.000 0.435 376 L N -0.302 120.970 121.223 0.082 0.000 2.027 376 L HA -0.138 4.216 4.340 0.023 0.000 0.206 376 L C 2.957 179.788 176.870 -0.065 0.000 1.074 376 L CA 1.143 55.922 54.840 -0.100 0.000 0.745 376 L CB -0.845 41.067 42.059 -0.245 0.000 0.898 376 L HN 0.199 nan 8.230 nan 0.000 0.433 377 A N -0.426 122.354 122.820 -0.066 0.000 1.883 377 A HA -0.306 4.028 4.320 0.023 0.000 0.217 377 A C 2.239 179.862 177.584 0.065 0.000 1.186 377 A CA 1.808 53.799 52.037 -0.076 0.000 0.624 377 A CB -1.035 17.921 19.000 -0.072 0.000 0.822 377 A HN 0.488 nan 8.150 nan 0.000 0.444 378 Y N 0.210 120.516 120.300 0.010 0.000 2.274 378 Y HA -0.091 4.473 4.550 0.023 0.000 0.290 378 Y C 1.876 177.809 175.900 0.056 0.000 1.145 378 Y CA 1.600 59.727 58.100 0.045 0.000 1.203 378 Y CB -0.184 38.311 38.460 0.059 0.000 0.984 378 Y HN 0.224 nan 8.280 nan 0.000 0.533 379 L N -1.040 120.214 121.223 0.052 0.000 2.131 379 L HA -0.173 4.181 4.340 0.023 0.000 0.206 379 L C 2.297 179.134 176.870 -0.056 0.000 1.087 379 L CA 0.708 55.536 54.840 -0.021 0.000 0.767 379 L CB -0.421 41.679 42.059 0.069 0.000 0.917 379 L HN 0.243 nan 8.230 nan 0.000 0.441 380 L N -0.953 120.245 121.223 -0.042 0.000 2.017 380 L HA -0.102 4.252 4.340 0.023 0.000 0.208 380 L C 0.433 177.327 176.870 0.039 0.000 1.073 380 L CA 1.042 55.867 54.840 -0.025 0.000 0.745 380 L CB 0.010 42.041 42.059 -0.047 0.000 0.894 380 L HN 0.228 nan 8.230 nan 0.000 0.432 381 D N -2.260 118.147 120.400 0.013 0.000 2.591 381 D HA 0.163 4.817 4.640 0.023 0.000 0.222 381 D C -2.248 174.031 176.300 -0.035 0.000 1.360 381 D CA -1.583 52.441 54.000 0.039 0.000 0.967 381 D CB 1.784 42.576 40.800 -0.014 0.000 1.456 381 D HN -0.260 nan 8.370 nan 0.000 0.588 382 P HA -0.053 nan 4.420 nan 0.000 0.231 382 P C 1.058 178.386 177.300 0.046 0.000 1.158 382 P CA 0.694 63.609 63.100 -0.309 0.000 0.763 382 P CB 0.139 31.661 31.700 -0.298 0.000 0.805 383 S N -2.079 113.660 115.700 0.065 0.000 2.562 383 S HA 0.008 4.492 4.470 0.023 0.000 0.221 383 S C 0.806 175.470 174.600 0.107 0.000 0.975 383 S CA -0.190 58.063 58.200 0.088 0.000 0.918 383 S CB -1.261 61.970 63.200 0.052 0.000 0.772 383 S HN 0.143 nan 8.310 nan 0.000 0.531 384 N N 2.670 121.453 118.700 0.138 0.000 2.549 384 N HA 0.178 4.932 4.740 0.023 0.000 0.267 384 N C 0.713 176.342 175.510 0.198 0.000 1.182 384 N CA 0.318 53.463 53.050 0.158 0.000 1.019 384 N CB 0.752 39.343 38.487 0.173 0.000 1.380 384 N HN 0.546 nan 8.380 nan 0.000 0.505 385 T N -3.014 111.611 114.554 0.118 0.000 2.985 385 T HA 0.053 4.417 4.350 0.023 0.000 0.254 385 T C 0.747 175.437 174.700 -0.017 0.000 1.021 385 T CA -0.069 62.076 62.100 0.075 0.000 0.957 385 T CB 0.219 69.134 68.868 0.078 0.000 1.047 385 T HN 0.361 nan 8.240 nan 0.000 0.511 386 T N -1.378 113.150 114.554 -0.043 0.000 2.903 386 T HA 0.574 4.938 4.350 0.023 0.000 0.299 386 T C -2.693 171.879 174.700 -0.214 0.000 1.093 386 T CA -1.675 60.341 62.100 -0.139 0.000 1.002 386 T CB 2.103 70.896 68.868 -0.125 0.000 1.127 386 T HN -0.329 nan 8.240 nan 0.000 0.488 387 P HA -0.013 nan 4.420 nan 0.000 0.217 387 P C 1.127 178.183 177.300 -0.406 0.000 1.150 387 P CA 1.031 63.756 63.100 -0.624 0.000 0.832 387 P CB 0.131 30.882 31.700 -1.581 0.000 0.787 388 E N -0.380 119.592 120.200 -0.380 0.000 2.038 388 E HA -0.140 4.224 4.350 0.023 0.000 0.195 388 E C 2.337 178.931 176.600 -0.009 0.000 1.000 388 E CA 1.795 58.160 56.400 -0.058 0.000 0.803 388 E CB -1.460 28.242 29.700 0.005 0.000 0.750 388 E HN 0.216 nan 8.360 nan 0.000 0.448 389 G N 0.231 109.011 108.800 -0.034 0.000 2.418 389 G HA2 -0.224 3.750 3.960 0.023 0.000 0.217 389 G HA3 -0.224 3.750 3.960 0.023 0.000 0.217 389 G C 1.757 176.675 174.900 0.029 0.000 1.158 389 G CA 0.864 45.963 45.100 -0.002 0.000 0.771 389 G HN 0.171 nan 8.290 nan 0.000 0.545 390 V N 1.499 121.442 119.914 0.048 0.000 2.307 390 V HA -0.100 4.034 4.120 0.023 0.000 0.245 390 V C 3.334 179.552 176.094 0.207 0.000 1.045 390 V CA 1.966 64.368 62.300 0.170 0.000 1.024 390 V CB -0.823 31.058 31.823 0.095 0.000 0.651 390 V HN 0.478 nan 8.190 nan 0.000 0.449 391 A N -0.123 122.767 122.820 0.116 0.000 1.873 391 A HA -0.274 4.060 4.320 0.023 0.000 0.218 391 A C 2.362 180.008 177.584 0.103 0.000 1.193 391 A CA 2.002 54.121 52.037 0.138 0.000 0.629 391 A CB -0.604 18.501 19.000 0.175 0.000 0.826 391 A HN 0.372 nan 8.150 nan 0.000 0.447 392 R N -0.587 119.950 120.500 0.060 0.000 2.103 392 R HA -0.166 4.188 4.340 0.023 0.000 0.234 392 R C 2.354 178.619 176.300 -0.059 0.000 1.132 392 R CA 2.008 58.113 56.100 0.008 0.000 0.925 392 R CB -0.936 29.360 30.300 -0.006 0.000 0.842 392 R HN 0.682 nan 8.270 nan 0.000 0.430 393 R N -0.586 119.832 120.500 -0.136 0.000 2.159 393 R HA -0.168 4.186 4.340 0.023 0.000 0.237 393 R C 0.530 176.441 176.300 -0.647 0.000 1.131 393 R CA 1.561 57.395 56.100 -0.443 0.000 0.982 393 R CB 0.041 29.965 30.300 -0.627 0.000 0.868 393 R HN 0.287 nan 8.270 nan 0.000 0.453 394 Y N -1.653 118.640 120.300 -0.011 0.000 2.719 394 Y HA 0.345 4.909 4.550 0.023 0.000 0.251 394 Y C 0.628 176.527 175.900 -0.003 0.000 1.159 394 Y CA -0.021 58.072 58.100 -0.012 0.000 1.166 394 Y CB 1.530 39.980 38.460 -0.018 0.000 1.219 394 Y HN 0.185 nan 8.280 nan 0.000 0.551 395 G N 0.086 108.935 108.800 0.081 0.000 2.207 395 G HA2 0.026 4.000 3.960 0.023 0.000 0.216 395 G HA3 0.026 4.000 3.960 0.023 0.000 0.216 395 G C 0.259 175.197 174.900 0.064 0.000 1.053 395 G CA -0.081 45.054 45.100 0.058 0.000 0.764 395 G HN 0.813 nan 8.290 nan 0.000 0.495 396 G N -1.146 107.699 108.800 0.076 0.000 3.086 396 G HA2 0.816 4.790 3.960 0.023 0.000 0.282 396 G HA3 0.816 4.790 3.960 0.023 0.000 0.282 396 G C -1.115 173.836 174.900 0.086 0.000 1.343 396 G CA 0.214 45.361 45.100 0.080 0.000 0.895 396 G HN 0.803 nan 8.290 nan 0.000 0.557 397 E N -0.410 119.851 120.200 0.102 0.000 2.317 397 E HA 0.210 4.574 4.350 0.023 0.000 0.270 397 E C -1.514 175.176 176.600 0.150 0.000 0.899 397 E CA -0.722 55.740 56.400 0.104 0.000 0.814 397 E CB 0.800 30.528 29.700 0.047 0.000 1.296 397 E HN 0.535 nan 8.360 nan 0.000 0.404 398 W N 7.930 129.227 121.300 -0.005 0.000 2.585 398 W HA 0.246 4.920 4.660 0.024 0.000 0.337 398 W C -0.457 176.050 176.519 -0.021 0.000 1.226 398 W CA 0.141 57.477 57.345 -0.015 0.000 1.463 398 W CB 0.429 29.881 29.460 -0.013 0.000 1.458 398 W HN 0.665 nan 8.180 nan 0.000 0.458 399 T N 1.428 115.677 114.554 -0.507 0.000 2.864 399 T HA 0.295 4.659 4.350 0.023 0.000 0.276 399 T C 0.406 174.715 174.700 -0.652 0.000 1.006 399 T CA -0.442 61.399 62.100 -0.433 0.000 0.970 399 T CB 1.685 70.402 68.868 -0.253 0.000 1.420 399 T HN 0.374 nan 8.240 nan 0.000 0.601 400 E N 0.278 120.246 120.200 -0.388 0.000 2.558 400 E HA 0.253 4.617 4.350 0.023 0.000 0.205 400 E C -0.227 176.214 176.600 -0.266 0.000 1.006 400 E CA -0.102 56.097 56.400 -0.335 0.000 0.961 400 E CB 0.524 30.110 29.700 -0.191 0.000 1.044 400 E HN 0.551 nan 8.360 nan 0.000 0.465 401 E N 0.276 120.310 120.200 -0.276 0.000 2.199 401 E HA 0.421 4.785 4.350 0.023 0.000 0.269 401 E C 0.325 176.815 176.600 -0.185 0.000 0.899 401 E CA -0.363 55.928 56.400 -0.183 0.000 0.772 401 E CB 1.890 31.514 29.700 -0.126 0.000 1.155 401 E HN -0.010 nan 8.360 nan 0.000 0.408 402 A N 3.813 126.563 122.820 -0.117 0.000 1.933 402 A HA -0.111 4.223 4.320 0.023 0.000 0.218 402 A C 1.767 179.344 177.584 -0.012 0.000 1.175 402 A CA 2.001 54.000 52.037 -0.064 0.000 0.628 402 A CB -0.609 18.387 19.000 -0.006 0.000 0.814 402 A HN 0.701 nan 8.150 nan 0.000 0.444 403 G N -0.495 108.301 108.800 -0.008 0.000 2.414 403 G HA2 -0.181 3.793 3.960 0.023 0.000 0.215 403 G HA3 -0.181 3.793 3.960 0.023 0.000 0.215 403 G C 1.412 176.316 174.900 0.006 0.000 1.188 403 G CA 0.896 46.013 45.100 0.027 0.000 0.783 403 G HN 0.618 nan 8.290 nan 0.000 0.537 404 E N 0.202 120.377 120.200 -0.041 0.000 2.085 404 E HA -0.120 4.244 4.350 0.023 0.000 0.194 404 E C 2.735 179.302 176.600 -0.054 0.000 0.994 404 E CA 0.687 57.056 56.400 -0.051 0.000 0.801 404 E CB -0.107 29.540 29.700 -0.089 0.000 0.743 404 E HN 0.315 nan 8.360 nan 0.000 0.453 405 R N 0.219 120.647 120.500 -0.120 0.000 2.096 405 R HA -0.095 4.259 4.340 0.023 0.000 0.235 405 R C 2.321 178.658 176.300 0.061 0.000 1.127 405 R CA 1.107 57.147 56.100 -0.100 0.000 0.968 405 R CB -0.229 29.900 30.300 -0.284 0.000 0.861 405 R HN 0.114 nan 8.270 nan 0.000 0.440 406 A N 0.876 123.741 122.820 0.075 0.000 1.968 406 A HA -0.011 4.323 4.320 0.023 0.000 0.217 406 A C 2.257 179.913 177.584 0.121 0.000 1.169 406 A CA 1.452 53.577 52.037 0.146 0.000 0.638 406 A CB -0.350 18.755 19.000 0.175 0.000 0.812 406 A HN 0.377 nan 8.150 nan 0.000 0.446 407 A N -0.739 122.126 122.820 0.076 0.000 1.970 407 A HA 0.143 4.477 4.320 0.023 0.000 0.216 407 A C 2.034 179.631 177.584 0.022 0.000 1.170 407 A CA 1.342 53.410 52.037 0.052 0.000 0.645 407 A CB -0.457 18.567 19.000 0.040 0.000 0.816 407 A HN 0.557 nan 8.150 nan 0.000 0.447 408 L N 0.030 121.278 121.223 0.041 0.000 2.046 408 L HA -0.097 4.258 4.340 0.023 0.000 0.208 408 L C 2.471 179.348 176.870 0.012 0.000 1.077 408 L CA 2.489 57.364 54.840 0.059 0.000 0.747 408 L CB -0.628 41.516 42.059 0.141 0.000 0.896 408 L HN 0.278 nan 8.230 nan 0.000 0.432 409 S N -0.597 115.107 115.700 0.007 0.000 2.370 409 S HA -0.258 4.226 4.470 0.023 0.000 0.226 409 S C 1.835 176.104 174.600 -0.552 0.000 1.033 409 S CA 1.560 59.692 58.200 -0.113 0.000 1.011 409 S CB -0.336 62.891 63.200 0.045 0.000 0.852 409 S HN 0.606 nan 8.310 nan 0.000 0.457 410 E N 1.228 121.086 120.200 -0.570 0.000 2.007 410 E HA -0.163 4.201 4.350 0.023 0.000 0.194 410 E C 2.337 178.718 176.600 -0.364 0.000 0.999 410 E CA 0.898 56.821 56.400 -0.794 0.000 0.811 410 E CB -0.064 29.553 29.700 -0.137 0.000 0.762 410 E HN 0.346 nan 8.360 nan 0.000 0.450 411 R N 0.173 120.587 120.500 -0.142 0.000 2.112 411 R HA -0.184 4.170 4.340 0.023 0.000 0.242 411 R C 2.530 178.801 176.300 -0.048 0.000 1.137 411 R CA 1.480 57.551 56.100 -0.048 0.000 0.944 411 R CB -0.521 29.777 30.300 -0.004 0.000 0.857 411 R HN 0.307 nan 8.270 nan 0.000 0.435 412 L N -0.213 120.972 121.223 -0.063 0.000 2.042 412 L HA -0.209 4.145 4.340 0.023 0.000 0.210 412 L C 2.321 179.150 176.870 -0.068 0.000 1.076 412 L CA 1.654 56.465 54.840 -0.048 0.000 0.749 412 L CB -0.832 41.213 42.059 -0.023 0.000 0.893 412 L HN 0.154 nan 8.230 nan 0.000 0.432 413 F N 0.554 120.351 119.950 -0.254 0.000 2.146 413 F HA -0.170 4.371 4.527 0.023 0.000 0.298 413 F C 2.403 178.185 175.800 -0.030 0.000 1.096 413 F CA 1.228 59.130 58.000 -0.164 0.000 1.275 413 F CB -0.108 38.733 39.000 -0.266 0.000 1.008 413 F HN 0.043 nan 8.300 nan 0.000 0.480 414 A N 0.502 123.365 122.820 0.071 0.000 1.841 414 A HA -0.287 4.047 4.320 0.023 0.000 0.216 414 A C 2.294 179.880 177.584 0.003 0.000 1.199 414 A CA 1.954 54.035 52.037 0.072 0.000 0.621 414 A CB -1.417 17.633 19.000 0.084 0.000 0.835 414 A HN 0.522 nan 8.150 nan 0.000 0.445 415 N N -0.178 118.511 118.700 -0.019 0.000 2.094 415 N HA -0.151 4.603 4.740 0.023 0.000 0.191 415 N C 1.646 177.090 175.510 -0.110 0.000 1.023 415 N CA 1.634 54.667 53.050 -0.028 0.000 0.857 415 N CB -0.258 38.237 38.487 0.015 0.000 1.013 415 N HN 0.275 nan 8.380 nan 0.000 0.426 416 L N 0.171 121.266 121.223 -0.213 0.000 2.072 416 L HA -0.125 4.229 4.340 0.023 0.000 0.205 416 L C 2.313 179.027 176.870 -0.260 0.000 1.079 416 L CA 1.030 55.682 54.840 -0.312 0.000 0.752 416 L CB -1.835 39.995 42.059 -0.382 0.000 0.906 416 L HN 0.430 nan 8.230 nan 0.000 0.436 417 W N 1.037 122.030 121.300 -0.512 0.000 2.363 417 W HA -0.167 4.507 4.660 0.023 0.000 0.296 417 W C 1.949 178.309 176.519 -0.266 0.000 1.212 417 W CA 1.520 58.565 57.345 -0.499 0.000 1.260 417 W CB -0.191 28.855 29.460 -0.689 0.000 1.131 417 W HN 0.247 nan 8.180 nan 0.000 0.530 418 G N 0.718 109.462 108.800 -0.094 0.000 2.408 418 G HA2 -0.256 3.718 3.960 0.023 0.000 0.217 418 G HA3 -0.256 3.718 3.960 0.023 0.000 0.217 418 G C 1.595 176.396 174.900 -0.165 0.000 1.150 418 G CA 0.432 45.468 45.100 -0.107 0.000 0.776 418 G HN 0.229 nan 8.290 nan 0.000 0.542 419 R N -0.469 119.933 120.500 -0.164 0.000 2.285 419 R HA 0.181 4.535 4.340 0.023 0.000 0.213 419 R C 1.771 177.951 176.300 -0.200 0.000 1.068 419 R CA 0.300 56.315 56.100 -0.143 0.000 1.004 419 R CB -0.147 30.085 30.300 -0.113 0.000 0.873 419 R HN 0.338 nan 8.270 nan 0.000 0.467 420 L N 0.309 121.337 121.223 -0.326 0.000 2.640 420 L HA 0.119 4.473 4.340 0.023 0.000 0.230 420 L C 0.194 176.815 176.870 -0.415 0.000 1.123 420 L CA -0.073 54.535 54.840 -0.387 0.000 0.900 420 L CB 0.237 41.981 42.059 -0.525 0.000 1.146 420 L HN 0.087 nan 8.230 nan 0.000 0.484 421 E N 0.289 120.264 120.200 -0.375 0.000 2.384 421 E HA 0.160 4.524 4.350 0.023 0.000 0.266 421 E C 1.036 177.535 176.600 -0.168 0.000 1.012 421 E CA 0.775 57.006 56.400 -0.281 0.000 0.901 421 E CB 0.814 30.394 29.700 -0.200 0.000 0.967 421 E HN 0.313 nan 8.360 nan 0.000 0.435 422 G N 3.386 112.109 108.800 -0.129 0.000 2.320 422 G HA2 -0.276 3.698 3.960 0.023 0.000 0.242 422 G HA3 -0.276 3.698 3.960 0.023 0.000 0.242 422 G C 0.300 175.158 174.900 -0.070 0.000 1.033 422 G CA -0.128 44.927 45.100 -0.076 0.000 0.620 422 G HN 0.563 nan 8.290 nan 0.000 0.517 423 E N 1.521 121.658 120.200 -0.104 0.000 2.346 423 E HA 0.182 4.546 4.350 0.023 0.000 0.317 423 E C 1.271 177.834 176.600 -0.062 0.000 1.404 423 E CA -0.221 56.129 56.400 -0.083 0.000 1.534 423 E CB 0.382 30.015 29.700 -0.111 0.000 1.309 423 E HN 0.491 nan 8.360 nan 0.000 0.499 424 E N 0.802 120.984 120.200 -0.030 0.000 2.204 424 E HA -0.156 4.208 4.350 0.023 0.000 0.195 424 E C 1.559 178.199 176.600 0.067 0.000 0.990 424 E CA 0.738 57.145 56.400 0.011 0.000 0.821 424 E CB 0.170 29.881 29.700 0.019 0.000 0.750 424 E HN 0.377 nan 8.360 nan 0.000 0.477 425 R N -0.121 120.405 120.500 0.044 0.000 2.090 425 R HA 0.027 4.381 4.340 0.023 0.000 0.228 425 R C 2.615 179.001 176.300 0.144 0.000 1.110 425 R CA 0.655 56.798 56.100 0.072 0.000 0.973 425 R CB -0.232 30.083 30.300 0.025 0.000 0.869 425 R HN 0.148 nan 8.270 nan 0.000 0.440 426 L N 0.674 121.944 121.223 0.079 0.000 2.056 426 L HA -0.155 4.199 4.340 0.023 0.000 0.207 426 L C 2.393 179.340 176.870 0.128 0.000 1.078 426 L CA 1.105 55.996 54.840 0.085 0.000 0.749 426 L CB -0.460 41.598 42.059 -0.001 0.000 0.901 426 L HN 0.195 nan 8.230 nan 0.000 0.433 427 L N -1.456 119.812 121.223 0.075 0.000 2.042 427 L HA -0.270 4.084 4.340 0.023 0.000 0.210 427 L C 2.463 179.456 176.870 0.206 0.000 1.076 427 L CA 1.684 56.583 54.840 0.099 0.000 0.749 427 L CB -0.580 41.475 42.059 -0.006 0.000 0.893 427 L HN 0.432 nan 8.230 nan 0.000 0.432 428 W N 0.775 122.090 121.300 0.026 0.000 2.355 428 W HA -0.221 4.453 4.660 0.023 0.000 0.309 428 W C 2.372 178.889 176.519 -0.005 0.000 1.206 428 W CA 1.475 58.818 57.345 -0.003 0.000 1.284 428 W CB -0.205 29.216 29.460 -0.064 0.000 1.145 428 W HN -0.051 nan 8.180 nan 0.000 0.502 429 L N -0.617 120.792 121.223 0.309 0.000 1.990 429 L HA -0.303 4.051 4.340 0.023 0.000 0.213 429 L C 2.487 179.378 176.870 0.035 0.000 1.072 429 L CA 2.003 56.938 54.840 0.159 0.000 0.755 429 L CB -1.421 40.790 42.059 0.253 0.000 0.889 429 L HN 0.114 nan 8.230 nan 0.000 0.432 430 Y N 0.860 121.172 120.300 0.020 0.000 2.097 430 Y HA -0.275 4.289 4.550 0.023 0.000 0.282 430 Y C 2.818 178.711 175.900 -0.012 0.000 1.152 430 Y CA 1.673 59.798 58.100 0.043 0.000 1.136 430 Y CB -0.194 38.334 38.460 0.114 0.000 0.975 430 Y HN -0.017 nan 8.280 nan 0.000 0.498 431 R N -0.340 120.112 120.500 -0.081 0.000 2.073 431 R HA -0.095 4.259 4.340 0.023 0.000 0.229 431 R C 1.792 177.876 176.300 -0.360 0.000 1.120 431 R CA 1.475 57.453 56.100 -0.202 0.000 0.967 431 R CB -0.137 30.135 30.300 -0.046 0.000 0.862 431 R HN 0.370 nan 8.270 nan 0.000 0.436 432 E N -0.292 119.568 120.200 -0.566 0.000 2.452 432 E HA 0.036 4.400 4.350 0.023 0.000 0.197 432 E C 1.422 177.684 176.600 -0.563 0.000 1.022 432 E CA 0.434 56.388 56.400 -0.743 0.000 0.890 432 E CB 0.898 29.652 29.700 -1.576 0.000 0.918 432 E HN 0.117 nan 8.360 nan 0.000 0.496 433 V N 0.419 120.083 119.914 -0.417 0.000 3.668 433 V HA -0.024 4.110 4.120 0.023 0.000 0.199 433 V C 1.862 177.865 176.094 -0.151 0.000 1.241 433 V CA 0.108 62.273 62.300 -0.224 0.000 1.308 433 V CB 0.050 31.807 31.823 -0.111 0.000 1.411 433 V HN -0.051 nan 8.190 nan 0.000 0.535 434 E N 0.994 121.126 120.200 -0.113 0.000 2.051 434 E HA -0.235 4.129 4.350 0.023 0.000 0.192 434 E C 2.110 178.611 176.600 -0.164 0.000 0.991 434 E CA 1.667 58.028 56.400 -0.066 0.000 0.799 434 E CB -0.248 29.494 29.700 0.070 0.000 0.748 434 E HN 0.423 nan 8.360 nan 0.000 0.449 435 R N 0.666 120.950 120.500 -0.361 0.000 2.070 435 R HA -0.103 4.251 4.340 0.023 0.000 0.233 435 R C -0.623 175.544 176.300 -0.221 0.000 1.137 435 R CA 1.667 57.545 56.100 -0.370 0.000 0.945 435 R CB -0.917 29.020 30.300 -0.605 0.000 0.845 435 R HN 0.121 nan 8.270 nan 0.000 0.430 436 P HA -0.145 nan 4.420 nan 0.000 0.217 436 P C 1.292 178.499 177.300 -0.154 0.000 1.150 436 P CA 0.839 63.843 63.100 -0.160 0.000 0.832 436 P CB -0.123 31.486 31.700 -0.151 0.000 0.787 437 L N 0.554 121.692 121.223 -0.143 0.000 2.042 437 L HA -0.198 4.156 4.340 0.023 0.000 0.210 437 L C 2.356 179.145 176.870 -0.135 0.000 1.076 437 L CA 2.490 57.252 54.840 -0.130 0.000 0.749 437 L CB -1.567 40.441 42.059 -0.084 0.000 0.893 437 L HN 0.024 nan 8.230 nan 0.000 0.432 438 S N -0.474 115.161 115.700 -0.107 0.000 2.387 438 S HA -0.241 4.243 4.470 0.023 0.000 0.230 438 S C 2.109 176.640 174.600 -0.115 0.000 1.035 438 S CA 1.178 59.328 58.200 -0.084 0.000 1.014 438 S CB -1.121 62.047 63.200 -0.053 0.000 0.836 438 S HN 0.566 nan 8.310 nan 0.000 0.466 439 A N 1.351 124.085 122.820 -0.142 0.000 1.898 439 A HA 0.123 4.457 4.320 0.023 0.000 0.216 439 A C 2.448 179.888 177.584 -0.239 0.000 1.181 439 A CA 1.478 53.423 52.037 -0.155 0.000 0.620 439 A CB -1.067 17.864 19.000 -0.114 0.000 0.819 439 A HN 0.470 nan 8.150 nan 0.000 0.442 440 V N 0.328 120.007 119.914 -0.391 0.000 2.295 440 V HA -0.266 3.868 4.120 0.023 0.000 0.246 440 V C 2.559 178.450 176.094 -0.339 0.000 1.049 440 V CA 1.996 63.897 62.300 -0.665 0.000 1.024 440 V CB -0.811 30.680 31.823 -0.554 0.000 0.648 440 V HN 0.574 nan 8.190 nan 0.000 0.447 441 L N 0.090 121.188 121.223 -0.208 0.000 2.131 441 L HA -0.158 4.196 4.340 0.023 0.000 0.210 441 L C 2.717 179.577 176.870 -0.017 0.000 1.092 441 L CA 1.440 56.222 54.840 -0.098 0.000 0.759 441 L CB -0.838 41.200 42.059 -0.035 0.000 0.903 441 L HN 0.369 nan 8.230 nan 0.000 0.435 442 A N -0.798 121.968 122.820 -0.089 0.000 1.902 442 A HA -0.221 4.113 4.320 0.023 0.000 0.217 442 A C 2.139 179.637 177.584 -0.143 0.000 1.181 442 A CA 1.405 53.367 52.037 -0.126 0.000 0.623 442 A CB -0.697 18.171 19.000 -0.221 0.000 0.818 442 A HN 0.419 nan 8.150 nan 0.000 0.443 443 H N -0.920 118.111 119.070 -0.065 0.000 2.395 443 H HA 0.027 4.597 4.556 0.023 0.000 0.299 443 H C 2.149 177.515 175.328 0.063 0.000 1.070 443 H CA 1.673 57.731 56.048 0.016 0.000 1.356 443 H CB -0.223 29.589 29.762 0.083 0.000 1.401 443 H HN 0.505 nan 8.280 nan 0.000 0.524 444 M N 0.435 120.128 119.600 0.155 0.000 2.117 444 M HA -0.146 4.348 4.480 0.023 0.000 0.262 444 M C 2.154 178.575 176.300 0.202 0.000 1.065 444 M CA 1.566 56.959 55.300 0.155 0.000 1.114 444 M CB -0.194 32.448 32.600 0.071 0.000 1.361 444 M HN 0.223 nan 8.290 nan 0.000 0.408 445 E N 0.445 120.774 120.200 0.215 0.000 2.077 445 E HA -0.155 4.209 4.350 0.023 0.000 0.193 445 E C 2.114 178.837 176.600 0.205 0.000 0.989 445 E CA 1.295 57.817 56.400 0.202 0.000 0.800 445 E CB -0.171 29.619 29.700 0.151 0.000 0.746 445 E HN 0.526 nan 8.360 nan 0.000 0.452 446 A N 0.760 123.651 122.820 0.119 0.000 1.968 446 A HA -0.108 4.226 4.320 0.023 0.000 0.217 446 A C 2.293 179.987 177.584 0.183 0.000 1.169 446 A CA 1.450 53.536 52.037 0.081 0.000 0.638 446 A CB -0.491 18.496 19.000 -0.022 0.000 0.812 446 A HN 0.142 nan 8.150 nan 0.000 0.446 447 T N -0.543 114.093 114.554 0.136 0.000 2.770 447 T HA 0.348 4.712 4.350 0.023 0.000 0.263 447 T C 1.371 176.007 174.700 -0.106 0.000 1.039 447 T CA 1.221 63.349 62.100 0.046 0.000 1.142 447 T CB -0.736 68.149 68.868 0.028 0.000 0.868 447 T HN 1.477 nan 8.240 nan 0.000 0.435 448 G N 0.472 109.165 108.800 -0.179 0.000 2.804 448 G HA2 -0.121 3.853 3.960 0.023 0.000 0.230 448 G HA3 -0.121 3.853 3.960 0.023 0.000 0.230 448 G C -0.534 174.202 174.900 -0.272 0.000 1.386 448 G CA -0.314 44.495 45.100 -0.486 0.000 0.875 448 G HN 0.809 nan 8.290 nan 0.000 0.557 449 V N 0.192 119.969 119.914 -0.228 0.000 2.789 449 V HA 0.785 4.919 4.120 0.023 0.000 0.311 449 V C 0.680 176.709 176.094 -0.107 0.000 1.073 449 V CA -0.500 61.735 62.300 -0.108 0.000 0.921 449 V CB 1.746 33.585 31.823 0.026 0.000 1.009 449 V HN 1.100 nan 8.190 nan 0.000 0.426 450 R N 3.758 124.200 120.500 -0.097 0.000 2.438 450 R HA 0.504 4.858 4.340 0.023 0.000 0.287 450 R C -1.337 174.894 176.300 -0.115 0.000 1.077 450 R CA -0.374 55.668 56.100 -0.097 0.000 1.034 450 R CB 1.012 31.258 30.300 -0.090 0.000 0.993 450 R HN 0.617 nan 8.270 nan 0.000 0.459 451 L N 3.372 124.511 121.223 -0.139 0.000 2.365 451 L HA 0.263 4.617 4.340 0.023 0.000 0.273 451 L C -0.962 175.844 176.870 -0.105 0.000 1.000 451 L CA -0.378 54.333 54.840 -0.216 0.000 0.819 451 L CB 1.833 43.733 42.059 -0.266 0.000 1.284 451 L HN 0.561 nan 8.230 nan 0.000 0.418 452 D N 3.522 123.874 120.400 -0.080 0.000 2.470 452 D HA 0.105 4.759 4.640 0.023 0.000 0.226 452 D C 0.982 177.322 176.300 0.067 0.000 1.196 452 D CA 0.115 54.117 54.000 0.003 0.000 0.979 452 D CB 0.826 41.621 40.800 -0.010 0.000 1.059 452 D HN 0.393 nan 8.370 nan 0.000 0.515 453 V N 3.802 123.737 119.914 0.035 0.000 2.295 453 V HA -0.244 3.890 4.120 0.023 0.000 0.246 453 V C 2.510 178.639 176.094 0.058 0.000 1.049 453 V CA 2.023 64.346 62.300 0.038 0.000 1.024 453 V CB -0.696 31.140 31.823 0.022 0.000 0.648 453 V HN 0.633 nan 8.190 nan 0.000 0.447 454 A N -0.732 122.127 122.820 0.065 0.000 1.917 454 A HA -0.320 4.014 4.320 0.023 0.000 0.219 454 A C 2.174 179.810 177.584 0.086 0.000 1.182 454 A CA 2.375 54.450 52.037 0.062 0.000 0.633 454 A CB -0.892 18.145 19.000 0.061 0.000 0.819 454 A HN 0.680 nan 8.150 nan 0.000 0.448 455 Y N 0.363 120.663 120.300 -0.000 0.000 2.165 455 Y HA -0.186 4.377 4.550 0.023 0.000 0.286 455 Y C 1.968 177.872 175.900 0.006 0.000 1.155 455 Y CA 1.988 60.091 58.100 0.005 0.000 1.164 455 Y CB -0.266 38.200 38.460 0.009 0.000 0.978 455 Y HN 0.224 nan 8.280 nan 0.000 0.513 456 L N -0.472 120.766 121.223 0.025 0.000 2.093 456 L HA -0.196 4.158 4.340 0.023 0.000 0.208 456 L C 2.642 179.461 176.870 -0.085 0.000 1.085 456 L CA 0.858 55.660 54.840 -0.063 0.000 0.755 456 L CB -0.484 41.598 42.059 0.038 0.000 0.904 456 L HN 0.141 nan 8.230 nan 0.000 0.435 457 R N 0.366 120.841 120.500 -0.042 0.000 2.094 457 R HA -0.178 4.176 4.340 0.023 0.000 0.239 457 R C 2.268 178.528 176.300 -0.068 0.000 1.137 457 R CA 1.743 57.819 56.100 -0.039 0.000 0.943 457 R CB -1.135 29.156 30.300 -0.016 0.000 0.850 457 R HN 0.365 nan 8.270 nan 0.000 0.433 458 A N 1.090 123.856 122.820 -0.091 0.000 1.898 458 A HA -0.117 4.217 4.320 0.023 0.000 0.216 458 A C 2.243 179.739 177.584 -0.147 0.000 1.181 458 A CA 1.065 53.041 52.037 -0.102 0.000 0.620 458 A CB -0.518 18.429 19.000 -0.089 0.000 0.819 458 A HN 0.217 nan 8.150 nan 0.000 0.442 459 L N -0.097 120.978 121.223 -0.246 0.000 2.083 459 L HA -0.118 4.236 4.340 0.023 0.000 0.209 459 L C 2.580 179.371 176.870 -0.132 0.000 1.083 459 L CA 2.473 57.167 54.840 -0.244 0.000 0.752 459 L CB -0.774 41.059 42.059 -0.377 0.000 0.899 459 L HN 0.356 nan 8.230 nan 0.000 0.433 460 S N -0.977 114.662 115.700 -0.103 0.000 2.370 460 S HA -0.183 4.301 4.470 0.023 0.000 0.226 460 S C 2.025 176.591 174.600 -0.057 0.000 1.033 460 S CA 1.681 59.843 58.200 -0.064 0.000 1.011 460 S CB -0.360 62.812 63.200 -0.047 0.000 0.852 460 S HN 0.506 nan 8.310 nan 0.000 0.457 461 L N 0.967 122.156 121.223 -0.057 0.000 2.056 461 L HA -0.087 4.267 4.340 0.023 0.000 0.207 461 L C 2.762 179.605 176.870 -0.044 0.000 1.078 461 L CA 1.917 56.731 54.840 -0.044 0.000 0.749 461 L CB -0.691 41.345 42.059 -0.039 0.000 0.901 461 L HN 0.523 nan 8.230 nan 0.000 0.433 462 E N 0.456 120.624 120.200 -0.055 0.000 2.031 462 E HA -0.202 4.162 4.350 0.023 0.000 0.193 462 E C 2.213 178.785 176.600 -0.046 0.000 0.994 462 E CA 1.755 58.126 56.400 -0.049 0.000 0.800 462 E CB 0.012 29.678 29.700 -0.058 0.000 0.752 462 E HN 0.193 nan 8.360 nan 0.000 0.447 463 V N 1.570 121.452 119.914 -0.055 0.000 2.324 463 V HA -0.317 3.817 4.120 0.023 0.000 0.250 463 V C 2.563 178.626 176.094 -0.053 0.000 1.060 463 V CA 1.933 64.202 62.300 -0.053 0.000 1.042 463 V CB -0.972 30.817 31.823 -0.055 0.000 0.650 463 V HN 0.514 nan 8.190 nan 0.000 0.450 464 A N -0.530 122.261 122.820 -0.049 0.000 1.908 464 A HA -0.281 4.053 4.320 0.023 0.000 0.218 464 A C 2.186 179.750 177.584 -0.034 0.000 1.181 464 A CA 2.062 54.074 52.037 -0.043 0.000 0.627 464 A CB -0.521 18.458 19.000 -0.035 0.000 0.818 464 A HN 0.628 nan 8.150 nan 0.000 0.445 465 E N -0.990 119.192 120.200 -0.031 0.000 2.058 465 E HA -0.248 4.116 4.350 0.023 0.000 0.194 465 E C 2.090 178.674 176.600 -0.026 0.000 0.997 465 E CA 1.431 57.816 56.400 -0.025 0.000 0.801 465 E CB -0.107 29.580 29.700 -0.023 0.000 0.746 465 E HN 0.689 nan 8.360 nan 0.000 0.450 466 E N 0.986 121.169 120.200 -0.028 0.000 2.150 466 E HA -0.133 4.231 4.350 0.023 0.000 0.193 466 E C 1.786 178.374 176.600 -0.021 0.000 0.985 466 E CA 0.815 57.200 56.400 -0.025 0.000 0.814 466 E CB -0.142 29.542 29.700 -0.025 0.000 0.752 466 E HN 0.261 nan 8.360 nan 0.000 0.466 467 I N 0.237 120.788 120.570 -0.032 0.000 2.226 467 I HA -0.256 3.928 4.170 0.023 0.000 0.245 467 I C 2.318 178.447 176.117 0.019 0.000 1.100 467 I CA 1.034 62.324 61.300 -0.017 0.000 1.374 467 I CB -0.412 37.542 38.000 -0.077 0.000 1.057 467 I HN 0.204 nan 8.210 nan 0.000 0.413 468 A N 0.959 123.769 122.820 -0.016 0.000 1.933 468 A HA -0.193 4.141 4.320 0.023 0.000 0.218 468 A C 2.376 179.915 177.584 -0.075 0.000 1.175 468 A CA 1.407 53.419 52.037 -0.042 0.000 0.628 468 A CB -0.510 18.472 19.000 -0.029 0.000 0.814 468 A HN 0.335 nan 8.150 nan 0.000 0.444 469 R N -0.563 119.906 120.500 -0.050 0.000 2.075 469 R HA 0.032 4.386 4.340 0.023 0.000 0.232 469 R C 2.024 178.278 176.300 -0.077 0.000 1.126 469 R CA 1.291 57.358 56.100 -0.055 0.000 0.963 469 R CB -0.487 29.794 30.300 -0.032 0.000 0.858 469 R HN 0.476 nan 8.270 nan 0.000 0.435 470 L N 0.625 121.818 121.223 -0.051 0.000 2.056 470 L HA -0.166 4.188 4.340 0.023 0.000 0.207 470 L C 2.674 179.434 176.870 -0.184 0.000 1.078 470 L CA 1.358 56.168 54.840 -0.049 0.000 0.749 470 L CB -0.446 41.649 42.059 0.060 0.000 0.901 470 L HN 0.310 nan 8.230 nan 0.000 0.433 471 E N 0.565 120.608 120.200 -0.261 0.000 2.031 471 E HA -0.260 4.104 4.350 0.023 0.000 0.193 471 E C 2.225 178.288 176.600 -0.895 0.000 0.994 471 E CA 1.325 57.311 56.400 -0.691 0.000 0.800 471 E CB -0.035 29.301 29.700 -0.607 0.000 0.752 471 E HN 0.420 nan 8.360 nan 0.000 0.447 472 A N 0.916 123.435 122.820 -0.502 0.000 1.908 472 A HA -0.265 4.069 4.320 0.023 0.000 0.218 472 A C 2.065 179.545 177.584 -0.172 0.000 1.181 472 A CA 1.995 53.860 52.037 -0.287 0.000 0.627 472 A CB -0.686 18.246 19.000 -0.113 0.000 0.818 472 A HN 0.381 nan 8.150 nan 0.000 0.445 473 E N -0.157 119.948 120.200 -0.158 0.000 2.072 473 E HA -0.105 4.259 4.350 0.023 0.000 0.191 473 E C 1.843 178.401 176.600 -0.070 0.000 0.985 473 E CA 1.460 57.812 56.400 -0.079 0.000 0.801 473 E CB -0.417 29.248 29.700 -0.058 0.000 0.750 473 E HN 0.248 nan 8.360 nan 0.000 0.452 474 V N 0.588 120.402 119.914 -0.166 0.000 2.287 474 V HA -0.249 3.885 4.120 0.023 0.000 0.248 474 V C 2.121 178.247 176.094 0.054 0.000 1.053 474 V CA 1.825 64.058 62.300 -0.112 0.000 1.027 474 V CB -0.694 30.962 31.823 -0.277 0.000 0.646 474 V HN 0.259 nan 8.190 nan 0.000 0.447 475 F N 0.397 120.258 119.950 -0.148 0.000 2.126 475 F HA -0.138 4.404 4.527 0.024 0.000 0.299 475 F C 2.535 178.299 175.800 -0.059 0.000 1.096 475 F CA 1.550 59.475 58.000 -0.126 0.000 1.255 475 F CB -1.086 37.834 39.000 -0.133 0.000 0.997 475 F HN 0.095 nan 8.300 nan 0.000 0.479 476 R N 0.618 121.211 120.500 0.154 0.000 2.082 476 R HA -0.177 4.177 4.340 0.023 0.000 0.234 476 R C 2.308 178.657 176.300 0.080 0.000 1.136 476 R CA 1.544 57.700 56.100 0.093 0.000 0.935 476 R CB -0.684 29.649 30.300 0.056 0.000 0.842 476 R HN 0.272 nan 8.270 nan 0.000 0.430 477 L N 0.113 121.384 121.223 0.081 0.000 2.191 477 L HA -0.127 4.227 4.340 0.023 0.000 0.212 477 L C 2.440 179.357 176.870 0.079 0.000 1.103 477 L CA 1.175 56.079 54.840 0.106 0.000 0.769 477 L CB -0.299 41.846 42.059 0.143 0.000 0.908 477 L HN 0.336 nan 8.230 nan 0.000 0.438 478 A N -0.907 121.941 122.820 0.047 0.000 2.123 478 A HA 0.243 4.577 4.320 0.023 0.000 0.214 478 A C 1.902 179.429 177.584 -0.095 0.000 1.152 478 A CA 0.828 52.829 52.037 -0.060 0.000 0.728 478 A CB -0.296 18.680 19.000 -0.039 0.000 0.814 478 A HN 0.492 nan 8.150 nan 0.000 0.464 479 G N -1.031 107.771 108.800 0.002 0.000 2.179 479 G HA2 -0.227 3.747 3.960 0.023 0.000 0.260 479 G HA3 -0.227 3.747 3.960 0.023 0.000 0.260 479 G C 0.124 175.095 174.900 0.119 0.000 0.977 479 G CA 1.224 46.362 45.100 0.063 0.000 0.641 479 G HN 2.082 nan 8.290 nan 0.000 0.533 480 H N -2.879 116.221 119.070 0.050 0.000 3.043 480 H HA 0.635 5.205 4.556 0.024 0.000 0.317 480 H C -3.433 171.819 175.328 -0.127 0.000 1.321 480 H CA -1.354 54.679 56.048 -0.026 0.000 1.243 480 H CB 0.227 29.975 29.762 -0.023 0.000 1.924 480 H HN 0.145 nan 8.280 nan 0.000 0.527 481 P HA 0.423 nan 4.420 nan 0.000 0.276 481 P C -1.112 176.003 177.300 -0.307 0.000 1.244 481 P CA -0.301 62.169 63.100 -1.050 0.000 0.801 481 P CB 0.558 31.742 31.700 -0.859 0.000 1.006 482 F N -2.083 117.505 119.950 -0.604 0.000 2.858 482 F HA 0.435 4.976 4.527 0.023 0.000 0.319 482 F C -1.082 174.711 175.800 -0.012 0.000 1.166 482 F CA -1.327 56.584 58.000 -0.147 0.000 0.899 482 F CB 0.563 39.562 39.000 -0.002 0.000 1.332 482 F HN -0.007 nan 8.300 nan 0.000 0.461 483 N N 2.092 120.905 118.700 0.188 0.000 2.402 483 N HA 0.101 4.855 4.740 0.023 0.000 0.259 483 N C 0.464 176.062 175.510 0.146 0.000 1.167 483 N CA -0.158 52.962 53.050 0.117 0.000 0.949 483 N CB 0.947 39.514 38.487 0.134 0.000 1.212 483 N HN 0.839 nan 8.380 nan 0.000 0.493 484 L N 3.895 125.050 121.223 -0.113 0.000 2.275 484 L HA 0.035 4.389 4.340 0.023 0.000 0.215 484 L C 1.183 178.106 176.870 0.088 0.000 1.119 484 L CA 1.326 56.075 54.840 -0.152 0.000 0.790 484 L CB -0.454 41.205 42.059 -0.666 0.000 0.919 484 L HN 0.525 nan 8.230 nan 0.000 0.443 485 N N -1.423 117.372 118.700 0.158 0.000 2.467 485 N HA -0.027 4.727 4.740 0.023 0.000 0.184 485 N C 0.575 176.171 175.510 0.144 0.000 1.106 485 N CA 0.354 53.518 53.050 0.189 0.000 0.892 485 N CB 0.023 38.606 38.487 0.160 0.000 0.969 485 N HN 0.220 nan 8.380 nan 0.000 0.454 486 S N 1.121 116.912 115.700 0.152 0.000 2.411 486 S HA 0.216 4.700 4.470 0.023 0.000 0.294 486 S C 1.255 175.931 174.600 0.127 0.000 1.115 486 S CA -0.797 57.481 58.200 0.129 0.000 1.071 486 S CB 0.751 64.030 63.200 0.130 0.000 0.967 486 S HN 0.226 nan 8.310 nan 0.000 0.488 487 R N 4.030 124.589 120.500 0.099 0.000 2.148 487 R HA 0.035 4.389 4.340 0.023 0.000 0.227 487 R C 0.930 177.271 176.300 0.069 0.000 1.103 487 R CA 1.445 57.598 56.100 0.088 0.000 0.983 487 R CB -0.657 29.693 30.300 0.084 0.000 0.874 487 R HN 0.410 nan 8.270 nan 0.000 0.451 488 D N 1.094 121.531 120.400 0.062 0.000 2.097 488 D HA -0.134 4.520 4.640 0.023 0.000 0.197 488 D C 1.932 178.242 176.300 0.016 0.000 0.984 488 D CA 1.425 55.451 54.000 0.045 0.000 0.826 488 D CB -0.232 40.592 40.800 0.041 0.000 0.973 488 D HN 0.449 nan 8.370 nan 0.000 0.460 489 Q N -0.238 119.579 119.800 0.027 0.000 2.079 489 Q HA -0.102 4.252 4.340 0.023 0.000 0.200 489 Q C 2.202 178.099 176.000 -0.172 0.000 0.974 489 Q CA 0.505 56.291 55.803 -0.028 0.000 0.840 489 Q CB -0.112 28.686 28.738 0.100 0.000 0.898 489 Q HN 0.172 nan 8.270 nan 0.000 0.430 490 L N 1.405 122.595 121.223 -0.054 0.000 2.046 490 L HA -0.207 4.147 4.340 0.023 0.000 0.208 490 L C 2.197 178.928 176.870 -0.231 0.000 1.077 490 L CA 1.899 56.667 54.840 -0.119 0.000 0.747 490 L CB -0.512 41.578 42.059 0.052 0.000 0.896 490 L HN 0.222 nan 8.230 nan 0.000 0.432 491 E N -0.497 119.632 120.200 -0.119 0.000 2.058 491 E HA -0.277 4.087 4.350 0.023 0.000 0.194 491 E C 2.293 178.828 176.600 -0.108 0.000 0.997 491 E CA 1.404 57.759 56.400 -0.075 0.000 0.801 491 E CB -0.071 29.710 29.700 0.135 0.000 0.746 491 E HN 0.531 nan 8.360 nan 0.000 0.450 492 R N 0.026 120.467 120.500 -0.097 0.000 2.073 492 R HA -0.120 4.234 4.340 0.023 0.000 0.234 492 R C 2.542 178.732 176.300 -0.183 0.000 1.134 492 R CA 1.456 57.499 56.100 -0.094 0.000 0.952 492 R CB -0.391 29.854 30.300 -0.092 0.000 0.850 492 R HN 0.118 nan 8.270 nan 0.000 0.433 493 V N 1.735 121.455 119.914 -0.324 0.000 2.255 493 V HA -0.249 3.885 4.120 0.023 0.000 0.247 493 V C 2.371 178.255 176.094 -0.350 0.000 1.051 493 V CA 1.784 63.855 62.300 -0.382 0.000 1.018 493 V CB -0.465 30.950 31.823 -0.680 0.000 0.641 493 V HN 0.266 nan 8.190 nan 0.000 0.445 494 L N -1.319 119.614 121.223 -0.483 0.000 2.005 494 L HA -0.126 4.228 4.340 0.023 0.000 0.207 494 L C 2.301 178.890 176.870 -0.468 0.000 1.072 494 L CA 1.732 56.201 54.840 -0.619 0.000 0.744 494 L CB -0.516 40.926 42.059 -1.029 0.000 0.895 494 L HN 0.301 nan 8.230 nan 0.000 0.433 495 F N -1.386 118.522 119.950 -0.069 0.000 2.714 495 F HA 0.051 4.591 4.527 0.023 0.000 0.294 495 F C 1.881 177.655 175.800 -0.043 0.000 1.120 495 F CA 0.046 58.018 58.000 -0.046 0.000 1.398 495 F CB -0.299 38.683 39.000 -0.031 0.000 1.120 495 F HN 0.010 nan 8.300 nan 0.000 0.589 496 D N -0.193 120.245 120.400 0.063 0.000 2.615 496 D HA 0.017 4.671 4.640 0.023 0.000 0.259 496 D C 1.872 178.168 176.300 -0.007 0.000 0.999 496 D CA 0.776 54.794 54.000 0.030 0.000 0.938 496 D CB 0.020 40.827 40.800 0.012 0.000 1.121 496 D HN 0.224 nan 8.370 nan 0.000 0.487 497 E N 0.293 120.465 120.200 -0.047 0.000 2.042 497 E HA 0.100 4.464 4.350 0.023 0.000 0.189 497 E C 0.685 177.259 176.600 -0.043 0.000 0.974 497 E CA 0.231 56.607 56.400 -0.039 0.000 0.806 497 E CB 0.407 30.085 29.700 -0.036 0.000 0.769 497 E HN 0.115 nan 8.360 nan 0.000 0.451 498 L N 0.217 121.383 121.223 -0.095 0.000 2.466 498 L HA 0.188 4.542 4.340 0.023 0.000 0.257 498 L C 1.428 178.283 176.870 -0.025 0.000 1.189 498 L CA -0.135 54.647 54.840 -0.096 0.000 0.813 498 L CB 0.448 42.355 42.059 -0.254 0.000 1.118 498 L HN 0.178 nan 8.230 nan 0.000 0.471 499 G N 1.346 110.157 108.800 0.018 0.000 3.181 499 G HA2 0.184 4.158 3.960 0.023 0.000 0.219 499 G HA3 0.184 4.158 3.960 0.023 0.000 0.219 499 G C 0.553 175.505 174.900 0.086 0.000 1.182 499 G CA -0.415 44.718 45.100 0.054 0.000 0.791 499 G HN 0.283 nan 8.290 nan 0.000 0.537 500 L N 1.896 123.174 121.223 0.092 0.000 2.514 500 L HA 0.174 4.528 4.340 0.023 0.000 0.280 500 L C -1.668 175.357 176.870 0.258 0.000 1.223 500 L CA -1.280 53.658 54.840 0.162 0.000 0.864 500 L CB 0.335 42.467 42.059 0.122 0.000 1.118 500 L HN 0.036 nan 8.230 nan 0.000 0.494 501 P HA 0.173 nan 4.420 nan 0.000 0.280 501 P C -0.905 176.399 177.300 0.006 0.000 1.244 501 P CA -0.485 62.666 63.100 0.085 0.000 0.784 501 P CB 1.262 32.994 31.700 0.053 0.000 0.913 502 A N 4.255 126.922 122.820 -0.255 0.000 2.354 502 A HA 0.271 4.605 4.320 0.023 0.000 0.281 502 A C 1.369 178.774 177.584 -0.300 0.000 1.174 502 A CA -0.517 51.126 52.037 -0.656 0.000 0.828 502 A CB -0.530 17.988 19.000 -0.804 0.000 1.099 502 A HN 0.532 nan 8.150 nan 0.000 0.516 503 I N 2.505 122.950 120.570 -0.208 0.000 2.260 503 I HA 0.103 4.287 4.170 0.023 0.000 0.237 503 I C 1.560 177.632 176.117 -0.075 0.000 1.075 503 I CA 1.141 62.395 61.300 -0.077 0.000 1.376 503 I CB -0.289 37.712 38.000 0.001 0.000 1.107 503 I HN 0.647 nan 8.210 nan 0.000 0.420 504 G N 0.462 109.218 108.800 -0.074 0.000 2.714 504 G HA2 0.523 4.497 3.960 0.023 0.000 0.292 504 G HA3 0.523 4.497 3.960 0.023 0.000 0.292 504 G C -1.081 173.780 174.900 -0.064 0.000 1.308 504 G CA -0.480 44.593 45.100 -0.045 0.000 0.964 504 G HN -0.106 nan 8.290 nan 0.000 0.484 505 K N -0.018 120.361 120.400 -0.036 0.000 2.281 505 K HA 0.528 4.862 4.320 0.023 0.000 0.242 505 K C -0.003 176.596 176.600 -0.002 0.000 0.971 505 K CA -0.537 55.732 56.287 -0.030 0.000 0.834 505 K CB 1.956 34.436 32.500 -0.034 0.000 1.181 505 K HN 0.710 nan 8.250 nan 0.000 0.435 506 T N -1.647 112.911 114.554 0.007 0.000 2.910 506 T HA 0.063 4.427 4.350 0.023 0.000 0.293 506 T C 1.204 175.911 174.700 0.012 0.000 1.015 506 T CA -0.450 61.661 62.100 0.018 0.000 1.094 506 T CB 1.427 70.312 68.868 0.028 0.000 0.968 506 T HN 0.628 nan 8.240 nan 0.000 0.521 507 E N 1.500 121.708 120.200 0.014 0.000 2.023 507 E HA -0.137 4.227 4.350 0.023 0.000 0.196 507 E C 1.780 178.385 176.600 0.008 0.000 1.003 507 E CA 1.660 58.066 56.400 0.010 0.000 0.809 507 E CB -0.177 29.530 29.700 0.012 0.000 0.755 507 E HN 0.648 nan 8.360 nan 0.000 0.449 508 K N -0.948 119.458 120.400 0.010 0.000 2.076 508 K HA 0.054 4.388 4.320 0.023 0.000 0.204 508 K C 2.072 178.676 176.600 0.008 0.000 1.051 508 K CA 1.784 58.076 56.287 0.009 0.000 0.949 508 K CB -0.238 32.269 32.500 0.011 0.000 0.726 508 K HN 0.411 nan 8.250 nan 0.000 0.443 509 T N -4.266 110.294 114.554 0.010 0.000 3.010 509 T HA 0.254 4.618 4.350 0.023 0.000 0.257 509 T C 1.185 175.889 174.700 0.007 0.000 1.020 509 T CA 0.195 62.300 62.100 0.010 0.000 0.938 509 T CB 0.482 69.359 68.868 0.014 0.000 1.049 509 T HN 0.215 nan 8.240 nan 0.000 0.522 510 G N 2.677 111.480 108.800 0.005 0.000 2.221 510 G HA2 -0.243 3.731 3.960 0.023 0.000 0.265 510 G HA3 -0.243 3.731 3.960 0.023 0.000 0.265 510 G C -0.049 174.850 174.900 -0.002 0.000 1.041 510 G CA -0.034 45.065 45.100 -0.002 0.000 0.807 510 G HN 0.588 nan 8.290 nan 0.000 0.502 511 K N -0.205 120.202 120.400 0.011 0.000 2.168 511 K HA 0.281 4.615 4.320 0.023 0.000 0.258 511 K C 0.940 177.546 176.600 0.009 0.000 1.010 511 K CA -0.595 55.705 56.287 0.021 0.000 0.929 511 K CB 0.824 33.350 32.500 0.044 0.000 0.998 511 K HN 0.331 nan 8.250 nan 0.000 0.479 512 R N 1.062 121.564 120.500 0.003 0.000 2.404 512 R HA -0.001 4.353 4.340 0.023 0.000 0.315 512 R C 0.524 176.867 176.300 0.072 0.000 1.032 512 R CA 0.117 56.171 56.100 -0.077 0.000 0.992 512 R CB 0.374 30.522 30.300 -0.255 0.000 0.959 512 R HN 0.477 nan 8.270 nan 0.000 0.428 513 S N 1.371 117.093 115.700 0.038 0.000 2.572 513 S HA 0.011 4.495 4.470 0.023 0.000 0.279 513 S C 1.011 175.751 174.600 0.234 0.000 1.341 513 S CA -0.200 58.067 58.200 0.111 0.000 1.043 513 S CB 0.657 63.896 63.200 0.065 0.000 0.887 513 S HN 0.716 nan 8.310 nan 0.000 0.516 514 T N 0.602 115.276 114.554 0.200 0.000 3.296 514 T HA 0.317 4.681 4.350 0.023 0.000 0.285 514 T C 0.523 175.300 174.700 0.128 0.000 1.014 514 T CA -0.051 62.164 62.100 0.191 0.000 0.920 514 T CB -0.577 68.367 68.868 0.127 0.000 1.143 514 T HN 0.648 nan 8.240 nan 0.000 0.522 515 S N 0.693 116.461 115.700 0.113 0.000 2.587 515 S HA 0.542 5.026 4.470 0.023 0.000 0.260 515 S C 1.918 176.570 174.600 0.086 0.000 1.353 515 S CA -0.188 58.065 58.200 0.088 0.000 0.995 515 S CB 0.538 63.783 63.200 0.075 0.000 0.912 515 S HN 0.551 nan 8.310 nan 0.000 0.568 516 A N 1.728 124.592 122.820 0.074 0.000 1.902 516 A HA 0.125 4.460 4.320 0.023 0.000 0.217 516 A C 2.484 180.108 177.584 0.067 0.000 1.181 516 A CA 1.952 54.030 52.037 0.069 0.000 0.623 516 A CB -1.796 17.240 19.000 0.060 0.000 0.818 516 A HN 1.422 nan 8.150 nan 0.000 0.443 517 A N -0.520 122.339 122.820 0.065 0.000 1.892 517 A HA -0.078 4.256 4.320 0.023 0.000 0.218 517 A C 2.258 179.884 177.584 0.069 0.000 1.188 517 A CA 2.041 54.115 52.037 0.062 0.000 0.631 517 A CB -1.030 18.006 19.000 0.060 0.000 0.822 517 A HN 0.430 nan 8.150 nan 0.000 0.447 518 V N 0.058 120.022 119.914 0.083 0.000 2.295 518 V HA -0.253 3.881 4.120 0.023 0.000 0.246 518 V C 2.581 178.742 176.094 0.111 0.000 1.049 518 V CA 2.008 64.370 62.300 0.102 0.000 1.024 518 V CB -0.794 31.110 31.823 0.136 0.000 0.648 518 V HN 0.575 nan 8.190 nan 0.000 0.447 519 L N -0.104 121.182 121.223 0.105 0.000 2.046 519 L HA -0.180 4.174 4.340 0.023 0.000 0.208 519 L C 2.631 179.547 176.870 0.076 0.000 1.077 519 L CA 1.803 56.698 54.840 0.092 0.000 0.747 519 L CB -0.694 41.412 42.059 0.078 0.000 0.896 519 L HN 0.381 nan 8.230 nan 0.000 0.432 520 E N 1.214 121.454 120.200 0.067 0.000 2.070 520 E HA -0.250 4.114 4.350 0.023 0.000 0.197 520 E C 2.033 178.666 176.600 0.054 0.000 1.004 520 E CA 1.803 58.236 56.400 0.056 0.000 0.805 520 E CB -0.198 29.532 29.700 0.049 0.000 0.744 520 E HN 0.364 nan 8.360 nan 0.000 0.451 521 A N -0.549 122.306 122.820 0.057 0.000 2.216 521 A HA 0.007 4.341 4.320 0.023 0.000 0.214 521 A C 1.546 179.168 177.584 0.063 0.000 1.160 521 A CA 0.750 52.819 52.037 0.053 0.000 0.725 521 A CB -0.135 18.895 19.000 0.050 0.000 0.784 521 A HN 0.310 nan 8.150 nan 0.000 0.472 522 L N -1.615 119.654 121.223 0.076 0.000 2.857 522 L HA 0.330 4.684 4.340 0.023 0.000 0.249 522 L C 1.720 178.637 176.870 0.079 0.000 1.172 522 L CA 0.201 55.094 54.840 0.088 0.000 0.980 522 L CB -0.189 41.940 42.059 0.116 0.000 1.299 522 L HN 0.234 nan 8.230 nan 0.000 0.535 523 R N 0.974 121.512 120.500 0.064 0.000 2.119 523 R HA -0.146 4.208 4.340 0.023 0.000 0.246 523 R C 1.083 177.416 176.300 0.054 0.000 1.146 523 R CA 1.818 57.951 56.100 0.056 0.000 0.962 523 R CB 0.012 30.339 30.300 0.044 0.000 0.863 523 R HN 0.406 nan 8.270 nan 0.000 0.442 524 E N -1.877 118.353 120.200 0.050 0.000 2.651 524 E HA 0.222 4.586 4.350 0.023 0.000 0.208 524 E C 0.298 176.926 176.600 0.047 0.000 0.997 524 E CA 0.301 56.725 56.400 0.039 0.000 1.020 524 E CB 1.127 30.843 29.700 0.027 0.000 1.052 524 E HN 0.334 nan 8.360 nan 0.000 0.465 525 A N 0.981 123.846 122.820 0.075 0.000 2.195 525 A HA 0.025 4.359 4.320 0.023 0.000 0.210 525 A C 0.551 178.226 177.584 0.152 0.000 1.165 525 A CA 0.651 52.745 52.037 0.095 0.000 0.806 525 A CB 0.266 19.329 19.000 0.105 0.000 0.847 525 A HN 0.274 nan 8.150 nan 0.000 0.482 526 H N -2.097 116.987 119.070 0.022 0.000 3.139 526 H HA 0.168 4.738 4.556 0.023 0.000 0.325 526 H C -2.880 172.454 175.328 0.011 0.000 1.146 526 H CA -0.715 55.341 56.048 0.014 0.000 1.351 526 H CB 1.519 31.286 29.762 0.009 0.000 2.005 526 H HN -0.092 nan 8.280 nan 0.000 0.517 527 P HA -0.031 nan 4.420 nan 0.000 0.221 527 P C 1.692 179.078 177.300 0.144 0.000 1.145 527 P CA 0.725 63.840 63.100 0.026 0.000 0.795 527 P CB 0.378 32.034 31.700 -0.075 0.000 0.775 528 I N -0.293 120.485 120.570 0.347 0.000 2.439 528 I HA -0.158 4.026 4.170 0.023 0.000 0.251 528 I C 2.033 178.201 176.117 0.085 0.000 1.139 528 I CA 0.916 62.324 61.300 0.179 0.000 1.438 528 I CB -0.074 37.991 38.000 0.108 0.000 1.085 528 I HN -0.150 nan 8.210 nan 0.000 0.427 529 V N -0.699 119.270 119.914 0.091 0.000 2.427 529 V HA -0.249 3.885 4.120 0.023 0.000 0.248 529 V C 2.250 178.378 176.094 0.057 0.000 1.051 529 V CA 2.237 64.569 62.300 0.053 0.000 1.048 529 V CB -0.597 31.261 31.823 0.058 0.000 0.666 529 V HN 0.474 nan 8.190 nan 0.000 0.456 530 E N 0.779 121.015 120.200 0.060 0.000 2.085 530 E HA -0.188 4.176 4.350 0.023 0.000 0.194 530 E C 2.152 178.779 176.600 0.046 0.000 0.994 530 E CA 1.579 58.008 56.400 0.049 0.000 0.801 530 E CB -0.214 29.510 29.700 0.041 0.000 0.743 530 E HN 0.570 nan 8.360 nan 0.000 0.453 531 K N -0.070 120.356 120.400 0.042 0.000 2.155 531 K HA -0.009 4.325 4.320 0.023 0.000 0.203 531 K C 2.252 178.885 176.600 0.054 0.000 1.052 531 K CA 0.791 57.099 56.287 0.035 0.000 0.948 531 K CB -0.240 32.266 32.500 0.009 0.000 0.728 531 K HN 0.301 nan 8.250 nan 0.000 0.448 532 I N 1.062 121.661 120.570 0.047 0.000 2.315 532 I HA -0.245 3.939 4.170 0.023 0.000 0.248 532 I C 2.215 178.406 176.117 0.123 0.000 1.117 532 I CA 0.871 62.213 61.300 0.070 0.000 1.404 532 I CB -0.213 37.811 38.000 0.040 0.000 1.071 532 I HN 0.006 nan 8.210 nan 0.000 0.419 533 L N -0.080 121.195 121.223 0.088 0.000 2.046 533 L HA -0.252 4.102 4.340 0.023 0.000 0.208 533 L C 2.644 179.561 176.870 0.078 0.000 1.077 533 L CA 1.517 56.405 54.840 0.081 0.000 0.747 533 L CB -0.578 41.518 42.059 0.061 0.000 0.896 533 L HN 0.306 nan 8.230 nan 0.000 0.432 534 Q N -1.189 118.656 119.800 0.075 0.000 2.084 534 Q HA -0.261 4.093 4.340 0.023 0.000 0.202 534 Q C 2.114 178.154 176.000 0.068 0.000 0.978 534 Q CA 1.912 57.749 55.803 0.058 0.000 0.844 534 Q CB -0.341 28.425 28.738 0.047 0.000 0.898 534 Q HN 0.472 nan 8.270 nan 0.000 0.426 535 Y N 1.432 121.719 120.300 -0.022 0.000 2.165 535 Y HA -0.224 4.340 4.550 0.023 0.000 0.286 535 Y C 2.212 178.103 175.900 -0.016 0.000 1.155 535 Y CA 1.462 59.540 58.100 -0.036 0.000 1.164 535 Y CB 0.125 38.549 38.460 -0.060 0.000 0.978 535 Y HN -0.071 nan 8.280 nan 0.000 0.513 536 R N 0.337 120.907 120.500 0.117 0.000 2.081 536 R HA -0.184 4.170 4.340 0.023 0.000 0.235 536 R C 2.280 178.563 176.300 -0.028 0.000 1.131 536 R CA 1.615 57.744 56.100 0.047 0.000 0.960 536 R CB -0.555 29.808 30.300 0.105 0.000 0.856 536 R HN 0.542 nan 8.270 nan 0.000 0.436 537 E N 0.548 120.743 120.200 -0.008 0.000 2.077 537 E HA -0.173 4.191 4.350 0.023 0.000 0.193 537 E C 1.889 178.466 176.600 -0.037 0.000 0.989 537 E CA 0.961 57.358 56.400 -0.006 0.000 0.800 537 E CB 0.135 29.840 29.700 0.008 0.000 0.746 537 E HN 0.064 nan 8.360 nan 0.000 0.452 538 L N 0.594 121.764 121.223 -0.088 0.000 2.072 538 L HA -0.136 4.218 4.340 0.023 0.000 0.205 538 L C 2.768 179.540 176.870 -0.162 0.000 1.079 538 L CA 2.090 56.861 54.840 -0.114 0.000 0.752 538 L CB -0.878 41.101 42.059 -0.133 0.000 0.906 538 L HN 0.291 nan 8.230 nan 0.000 0.436 539 T N -3.666 110.717 114.554 -0.285 0.000 2.904 539 T HA -0.163 4.201 4.350 0.023 0.000 0.267 539 T C 1.944 176.562 174.700 -0.137 0.000 1.059 539 T CA 1.005 62.933 62.100 -0.287 0.000 1.137 539 T CB -0.118 68.454 68.868 -0.495 0.000 0.879 539 T HN 0.001 nan 8.240 nan 0.000 0.467 540 K N 1.699 122.049 120.400 -0.084 0.000 2.002 540 K HA 0.107 4.441 4.320 0.023 0.000 0.209 540 K C 2.165 178.781 176.600 0.026 0.000 1.048 540 K CA 1.373 57.648 56.287 -0.020 0.000 0.930 540 K CB -0.878 31.638 32.500 0.026 0.000 0.714 540 K HN 0.457 nan 8.250 nan 0.000 0.438 541 L N 0.236 121.512 121.223 0.088 0.000 2.156 541 L HA -0.042 4.312 4.340 0.023 0.000 0.208 541 L C 2.615 179.574 176.870 0.149 0.000 1.095 541 L CA 1.188 56.170 54.840 0.236 0.000 0.770 541 L CB -0.466 41.692 42.059 0.165 0.000 0.914 541 L HN 0.243 nan 8.230 nan 0.000 0.439 542 K N 0.695 121.111 120.400 0.027 0.000 2.025 542 K HA -0.163 4.171 4.320 0.023 0.000 0.207 542 K C 2.418 179.002 176.600 -0.028 0.000 1.049 542 K CA 1.731 58.015 56.287 -0.005 0.000 0.933 542 K CB 0.018 32.487 32.500 -0.052 0.000 0.714 542 K HN 0.294 nan 8.250 nan 0.000 0.438 543 S N -0.842 114.821 115.700 -0.061 0.000 2.406 543 S HA -0.070 4.414 4.470 0.023 0.000 0.228 543 S C 1.784 176.303 174.600 -0.134 0.000 1.020 543 S CA 1.489 59.640 58.200 -0.082 0.000 0.965 543 S CB -0.171 62.982 63.200 -0.079 0.000 0.798 543 S HN 0.274 nan 8.310 nan 0.000 0.488 544 T N 0.025 114.445 114.554 -0.224 0.000 3.010 544 T HA 0.281 4.645 4.350 0.023 0.000 0.252 544 T C 0.850 175.167 174.700 -0.638 0.000 1.047 544 T CA 0.753 62.550 62.100 -0.506 0.000 1.140 544 T CB -0.143 68.263 68.868 -0.770 0.000 0.885 544 T HN 0.580 nan 8.240 nan 0.000 0.464 545 Y N -0.200 120.121 120.300 0.035 0.000 2.817 545 Y HA 0.465 5.029 4.550 0.024 0.000 0.257 545 Y C 1.984 177.916 175.900 0.054 0.000 1.055 545 Y CA -0.701 57.441 58.100 0.069 0.000 1.319 545 Y CB -0.321 38.197 38.460 0.096 0.000 1.481 545 Y HN -0.033 nan 8.280 nan 0.000 0.471 546 I N 0.748 121.438 120.570 0.200 0.000 2.208 546 I HA -0.293 3.891 4.170 0.023 0.000 0.245 546 I C 1.447 177.593 176.117 0.048 0.000 1.097 546 I CA 1.844 63.207 61.300 0.105 0.000 1.363 546 I CB -0.192 37.842 38.000 0.056 0.000 1.051 546 I HN 0.271 nan 8.210 nan 0.000 0.413 547 D N 0.206 120.619 120.400 0.021 0.000 2.149 547 D HA -0.047 4.607 4.640 0.023 0.000 0.206 547 D C -0.426 175.872 176.300 -0.004 0.000 0.967 547 D CA 1.157 55.156 54.000 -0.003 0.000 0.848 547 D CB -1.569 39.218 40.800 -0.021 0.000 0.998 547 D HN 0.265 nan 8.370 nan 0.000 0.474 548 P HA 0.028 nan 4.420 nan 0.000 0.220 548 P C 1.764 179.071 177.300 0.011 0.000 1.152 548 P CA 0.568 63.658 63.100 -0.016 0.000 0.812 548 P CB 0.116 31.792 31.700 -0.039 0.000 0.792 549 L N -0.267 120.984 121.223 0.046 0.000 2.017 549 L HA -0.088 4.266 4.340 0.023 0.000 0.208 549 L C -0.351 176.541 176.870 0.036 0.000 1.073 549 L CA 1.998 56.877 54.840 0.064 0.000 0.745 549 L CB -2.240 39.879 42.059 0.099 0.000 0.894 549 L HN 0.026 nan 8.230 nan 0.000 0.432 550 P HA -0.148 nan 4.420 nan 0.000 0.218 550 P C 0.684 178.000 177.300 0.027 0.000 1.148 550 P CA 1.276 64.387 63.100 0.017 0.000 0.822 550 P CB -0.032 31.675 31.700 0.012 0.000 0.784 551 D N -1.356 119.052 120.400 0.014 0.000 2.363 551 D HA 0.032 4.686 4.640 0.023 0.000 0.226 551 D C 1.297 177.598 176.300 0.002 0.000 1.020 551 D CA 0.637 54.636 54.000 -0.002 0.000 0.892 551 D CB -0.109 40.671 40.800 -0.034 0.000 0.900 551 D HN 0.264 nan 8.370 nan 0.000 0.531 552 L N 0.298 121.554 121.223 0.056 0.000 2.728 552 L HA 0.156 4.510 4.340 0.023 0.000 0.238 552 L C 0.318 177.398 176.870 0.349 0.000 1.143 552 L CA -0.258 54.657 54.840 0.124 0.000 0.937 552 L CB 0.728 42.851 42.059 0.106 0.000 1.225 552 L HN -0.154 nan 8.230 nan 0.000 0.507 553 I N 0.668 121.390 120.570 0.253 0.000 2.598 553 I HA -0.059 4.125 4.170 0.023 0.000 0.284 553 I C 0.784 177.123 176.117 0.370 0.000 1.140 553 I CA 0.417 61.877 61.300 0.267 0.000 1.420 553 I CB -0.099 37.985 38.000 0.139 0.000 1.387 553 I HN 0.112 nan 8.210 nan 0.000 0.553 554 H N 9.095 128.311 119.070 0.244 0.000 2.764 554 H HA 0.116 4.686 4.556 0.023 0.000 0.341 554 H C -1.669 173.661 175.328 0.003 0.000 1.072 554 H CA -1.271 54.768 56.048 -0.016 0.000 1.444 554 H CB 1.688 31.260 29.762 -0.317 0.000 1.458 554 H HN 0.301 nan 8.280 nan 0.000 0.572 555 P HA -0.082 nan 4.420 nan 0.000 0.216 555 P C 1.239 178.580 177.300 0.068 0.000 1.153 555 P CA 1.461 64.535 63.100 -0.043 0.000 0.848 555 P CB 0.324 31.945 31.700 -0.132 0.000 0.787 556 R N -0.914 119.714 120.500 0.214 0.000 2.075 556 R HA -0.011 4.344 4.340 0.023 0.000 0.226 556 R C 2.286 178.634 176.300 0.079 0.000 1.114 556 R CA 1.996 58.173 56.100 0.128 0.000 0.972 556 R CB -1.195 29.163 30.300 0.097 0.000 0.869 556 R HN 0.322 nan 8.270 nan 0.000 0.437 557 T N -3.368 111.254 114.554 0.113 0.000 3.044 557 T HA 0.140 4.504 4.350 0.023 0.000 0.255 557 T C 1.524 176.269 174.700 0.075 0.000 1.073 557 T CA 0.599 62.741 62.100 0.070 0.000 1.125 557 T CB 0.459 69.414 68.868 0.145 0.000 0.908 557 T HN 0.368 nan 8.240 nan 0.000 0.480 558 G N 1.747 110.614 108.800 0.111 0.000 2.179 558 G HA2 -0.264 3.710 3.960 0.023 0.000 0.257 558 G HA3 -0.264 3.710 3.960 0.023 0.000 0.257 558 G C 0.091 175.025 174.900 0.057 0.000 1.010 558 G CA 0.418 45.563 45.100 0.075 0.000 0.736 558 G HN 0.759 nan 8.290 nan 0.000 0.513 559 R N -1.776 118.781 120.500 0.096 0.000 2.930 559 R HA 0.761 5.115 4.340 0.023 0.000 0.257 559 R C -0.810 175.491 176.300 0.002 0.000 1.107 559 R CA -1.189 54.894 56.100 -0.028 0.000 0.999 559 R CB 1.079 31.269 30.300 -0.184 0.000 1.209 559 R HN 0.115 nan 8.270 nan 0.000 0.486 560 L N 1.749 122.908 121.223 -0.108 0.000 2.264 560 L HA 0.331 4.685 4.340 0.023 0.000 0.289 560 L C -1.157 175.637 176.870 -0.126 0.000 1.044 560 L CA -0.170 54.680 54.840 0.017 0.000 0.807 560 L CB 0.535 42.616 42.059 0.037 0.000 1.192 560 L HN 0.502 nan 8.230 nan 0.000 0.425 561 H N 2.188 121.337 119.070 0.132 0.000 2.638 561 H HA 0.453 5.023 4.556 0.024 0.000 0.317 561 H C 0.042 175.422 175.328 0.087 0.000 1.006 561 H CA -0.310 55.785 56.048 0.078 0.000 1.222 561 H CB 1.444 31.210 29.762 0.007 0.000 1.419 561 H HN 0.600 nan 8.280 nan 0.000 0.489 562 T N 2.266 116.862 114.554 0.070 0.000 2.897 562 T HA 0.488 4.852 4.350 0.023 0.000 0.278 562 T C -0.024 174.589 174.700 -0.146 0.000 0.981 562 T CA -0.880 61.178 62.100 -0.071 0.000 0.973 562 T CB 0.583 69.291 68.868 -0.267 0.000 1.092 562 T HN 0.599 nan 8.240 nan 0.000 0.543 563 R N 1.314 121.692 120.500 -0.203 0.000 2.387 563 R HA 0.381 4.735 4.340 0.023 0.000 0.314 563 R C -1.194 174.934 176.300 -0.288 0.000 0.958 563 R CA -0.456 55.559 56.100 -0.142 0.000 0.846 563 R CB 0.908 31.197 30.300 -0.019 0.000 1.147 563 R HN 0.440 nan 8.270 nan 0.000 0.447 564 F N 2.358 122.329 119.950 0.035 0.000 2.377 564 F HA 0.226 4.767 4.527 0.023 0.000 0.360 564 F C 0.277 176.079 175.800 0.004 0.000 1.147 564 F CA -0.733 57.278 58.000 0.018 0.000 1.170 564 F CB 0.423 39.425 39.000 0.004 0.000 1.339 564 F HN 0.383 nan 8.300 nan 0.000 0.552 565 N N 2.901 121.676 118.700 0.125 0.000 2.452 565 N HA 0.054 4.809 4.740 0.023 0.000 0.266 565 N C 0.801 176.324 175.510 0.022 0.000 1.175 565 N CA -0.193 52.888 53.050 0.051 0.000 0.945 565 N CB 0.848 39.349 38.487 0.024 0.000 1.063 565 N HN 0.658 nan 8.380 nan 0.000 0.472 566 Q N 1.115 120.885 119.800 -0.050 0.000 2.396 566 Q HA 0.004 4.358 4.340 0.023 0.000 0.209 566 Q C -0.024 175.723 176.000 -0.422 0.000 0.906 566 Q CA 0.552 56.283 55.803 -0.120 0.000 0.927 566 Q CB 0.600 29.298 28.738 -0.066 0.000 1.069 566 Q HN 0.758 nan 8.270 nan 0.000 0.523 567 T N -3.338 110.912 114.554 -0.507 0.000 3.532 567 T HA 0.665 5.029 4.350 0.023 0.000 0.241 567 T C 0.061 174.491 174.700 -0.450 0.000 1.238 567 T CA -0.049 61.417 62.100 -1.057 0.000 1.405 567 T CB 1.244 69.719 68.868 -0.656 0.000 0.971 567 T HN 0.097 nan 8.240 nan 0.000 0.640 568 A N 1.100 123.790 122.820 -0.217 0.000 2.498 568 A HA 0.544 4.878 4.320 0.023 0.000 0.238 568 A C 1.074 178.729 177.584 0.119 0.000 1.225 568 A CA 0.319 52.358 52.037 0.004 0.000 0.978 568 A CB 0.386 19.388 19.000 0.004 0.000 1.142 568 A HN 0.779 nan 8.150 nan 0.000 0.552 569 T N -4.432 110.254 114.554 0.220 0.000 2.924 569 T HA 0.654 5.018 4.350 0.023 0.000 0.291 569 T C 0.782 175.639 174.700 0.261 0.000 1.045 569 T CA 0.102 62.329 62.100 0.213 0.000 1.015 569 T CB 1.801 70.770 68.868 0.169 0.000 1.103 569 T HN 0.564 nan 8.240 nan 0.000 0.496 570 A N 0.895 123.797 122.820 0.137 0.000 2.169 570 A HA 0.184 4.518 4.320 0.023 0.000 0.212 570 A C 2.095 179.705 177.584 0.043 0.000 1.153 570 A CA 1.226 53.310 52.037 0.078 0.000 0.756 570 A CB -0.909 18.123 19.000 0.053 0.000 0.813 570 A HN 1.075 nan 8.150 nan 0.000 0.471 571 T N -5.921 108.675 114.554 0.071 0.000 3.001 571 T HA 0.435 4.799 4.350 0.023 0.000 0.251 571 T C 1.319 176.066 174.700 0.078 0.000 1.040 571 T CA 1.111 63.243 62.100 0.053 0.000 0.985 571 T CB 0.487 69.380 68.868 0.042 0.000 1.011 571 T HN 1.496 nan 8.240 nan 0.000 0.509 572 G N 1.514 110.410 108.800 0.160 0.000 2.179 572 G HA2 -0.190 3.784 3.960 0.023 0.000 0.220 572 G HA3 -0.190 3.784 3.960 0.023 0.000 0.220 572 G C 0.156 175.188 174.900 0.220 0.000 0.990 572 G CA -0.395 44.843 45.100 0.230 0.000 0.646 572 G HN 0.619 nan 8.290 nan 0.000 0.517 573 R N -0.226 120.383 120.500 0.181 0.000 2.679 573 R HA 0.578 4.932 4.340 0.023 0.000 0.269 573 R C 1.044 177.462 176.300 0.198 0.000 1.076 573 R CA -0.245 55.962 56.100 0.178 0.000 1.160 573 R CB 0.383 30.764 30.300 0.134 0.000 1.054 573 R HN 0.280 nan 8.270 nan 0.000 0.507 574 L N 0.401 121.754 121.223 0.218 0.000 2.468 574 L HA 0.281 4.635 4.340 0.023 0.000 0.254 574 L C 0.630 177.655 176.870 0.259 0.000 1.171 574 L CA -0.185 54.777 54.840 0.202 0.000 0.809 574 L CB 1.096 43.275 42.059 0.199 0.000 1.155 574 L HN 0.719 nan 8.230 nan 0.000 0.473 575 S N -0.588 115.240 115.700 0.214 0.000 2.632 575 S HA 0.647 5.131 4.470 0.023 0.000 0.289 575 S C -0.862 173.824 174.600 0.143 0.000 1.115 575 S CA -0.703 57.616 58.200 0.198 0.000 0.889 575 S CB 2.029 65.308 63.200 0.131 0.000 1.116 575 S HN 0.548 nan 8.310 nan 0.000 0.486 576 S N 0.744 116.487 115.700 0.072 0.000 2.521 576 S HA 0.830 5.314 4.470 0.023 0.000 0.295 576 S C -0.891 173.682 174.600 -0.046 0.000 1.098 576 S CA -0.181 57.967 58.200 -0.085 0.000 0.999 576 S CB 0.937 64.043 63.200 -0.157 0.000 1.034 576 S HN 1.680 nan 8.310 nan 0.000 0.483 577 S N 2.484 118.138 115.700 -0.076 0.000 2.579 577 S HA 0.619 5.103 4.470 0.023 0.000 0.272 577 S C -1.463 173.130 174.600 -0.011 0.000 1.141 577 S CA -0.781 57.407 58.200 -0.020 0.000 0.843 577 S CB 1.349 64.550 63.200 0.002 0.000 1.122 577 S HN 0.754 nan 8.310 nan 0.000 0.468 578 D N 0.381 120.791 120.400 0.017 0.000 2.716 578 D HA -0.073 4.581 4.640 0.023 0.000 0.239 578 D C -2.433 173.916 176.300 0.081 0.000 1.125 578 D CA 0.779 54.802 54.000 0.037 0.000 0.681 578 D CB -1.494 39.336 40.800 0.050 0.000 1.070 578 D HN 0.584 nan 8.370 nan 0.000 0.432 579 P HA 0.183 nan 4.420 nan 0.000 0.283 579 P C -0.110 177.222 177.300 0.052 0.000 1.271 579 P CA -0.632 62.509 63.100 0.069 0.000 0.841 579 P CB 0.924 32.694 31.700 0.117 0.000 1.122 580 N N 1.279 120.018 118.700 0.065 0.000 2.405 580 N HA 0.078 4.832 4.740 0.023 0.000 0.260 580 N C 0.348 175.937 175.510 0.132 0.000 1.152 580 N CA 0.107 53.198 53.050 0.069 0.000 0.948 580 N CB -0.460 38.080 38.487 0.088 0.000 1.111 580 N HN 0.327 nan 8.380 nan 0.000 0.485 581 L N 2.684 123.959 121.223 0.086 0.000 2.769 581 L HA 0.195 4.549 4.340 0.023 0.000 0.240 581 L C 1.242 178.207 176.870 0.159 0.000 1.163 581 L CA 0.089 55.021 54.840 0.153 0.000 0.962 581 L CB 0.142 42.291 42.059 0.149 0.000 1.258 581 L HN 0.510 nan 8.230 nan 0.000 0.513 582 Q N 0.924 120.795 119.800 0.118 0.000 2.360 582 Q HA 0.056 4.410 4.340 0.023 0.000 0.202 582 Q C 0.447 176.512 176.000 0.109 0.000 0.915 582 Q CA 0.160 56.023 55.803 0.100 0.000 0.943 582 Q CB 0.334 29.087 28.738 0.025 0.000 1.064 582 Q HN 0.457 nan 8.270 nan 0.000 0.511 583 N N -0.347 118.422 118.700 0.114 0.000 2.517 583 N HA 0.067 4.821 4.740 0.023 0.000 0.285 583 N C -0.639 174.868 175.510 -0.005 0.000 1.528 583 N CA -0.219 52.886 53.050 0.091 0.000 0.892 583 N CB 0.330 38.917 38.487 0.166 0.000 1.356 583 N HN -0.077 nan 8.380 nan 0.000 0.495 584 I N 1.550 122.025 120.570 -0.158 0.000 2.556 584 I HA 0.257 4.441 4.170 0.023 0.000 0.284 584 I C -1.842 173.944 176.117 -0.551 0.000 1.114 584 I CA -1.926 59.103 61.300 -0.452 0.000 1.418 584 I CB -0.003 37.704 38.000 -0.487 0.000 1.394 584 I HN -0.017 nan 8.210 nan 0.000 0.552 585 P HA 0.084 nan 4.420 nan 0.000 0.269 585 P C 0.438 177.528 177.300 -0.349 0.000 1.215 585 P CA 0.222 63.063 63.100 -0.432 0.000 0.780 585 P CB 1.239 32.697 31.700 -0.404 0.000 0.898 586 V N 2.264 122.032 119.914 -0.244 0.000 3.410 586 V HA 0.083 4.217 4.120 0.023 0.000 0.257 586 V C 1.509 177.528 176.094 -0.126 0.000 1.757 586 V CA 0.467 62.633 62.300 -0.223 0.000 1.047 586 V CB -0.038 31.606 31.823 -0.297 0.000 0.915 586 V HN 0.370 nan 8.190 nan 0.000 0.371 587 R N 1.107 121.552 120.500 -0.091 0.000 2.240 587 R HA 0.167 4.521 4.340 0.023 0.000 0.203 587 R C 0.913 177.195 176.300 -0.029 0.000 1.011 587 R CA 1.196 57.269 56.100 -0.044 0.000 1.007 587 R CB 0.117 30.404 30.300 -0.021 0.000 0.911 587 R HN 0.677 nan 8.270 nan 0.000 0.468 588 T N -3.074 111.458 114.554 -0.036 0.000 2.950 588 T HA 0.326 4.690 4.350 0.023 0.000 0.288 588 T C -2.262 172.426 174.700 -0.021 0.000 1.035 588 T CA -2.299 59.790 62.100 -0.019 0.000 1.028 588 T CB 2.286 71.147 68.868 -0.011 0.000 1.109 588 T HN -0.319 nan 8.240 nan 0.000 0.514 589 P HA -0.055 nan 4.420 nan 0.000 0.215 589 P C 1.645 178.944 177.300 -0.001 0.000 1.153 589 P CA 0.362 63.460 63.100 -0.002 0.000 0.853 589 P CB -0.022 31.681 31.700 0.004 0.000 0.788 590 L N -0.329 120.891 121.223 -0.004 0.000 2.093 590 L HA 0.028 4.382 4.340 0.023 0.000 0.208 590 L C 2.211 179.076 176.870 -0.009 0.000 1.085 590 L CA 2.161 57.001 54.840 -0.001 0.000 0.755 590 L CB -1.686 40.371 42.059 -0.004 0.000 0.904 590 L HN -0.055 nan 8.230 nan 0.000 0.435 591 G N -1.221 107.557 108.800 -0.037 0.000 2.446 591 G HA2 -0.314 3.660 3.960 0.023 0.000 0.217 591 G HA3 -0.314 3.660 3.960 0.023 0.000 0.217 591 G C 1.455 176.306 174.900 -0.081 0.000 1.168 591 G CA 0.824 45.872 45.100 -0.087 0.000 0.771 591 G HN 0.521 nan 8.290 nan 0.000 0.551 592 Q N -0.166 119.599 119.800 -0.058 0.000 2.135 592 Q HA -0.058 4.296 4.340 0.023 0.000 0.204 592 Q C 2.774 178.786 176.000 0.018 0.000 0.981 592 Q CA 1.135 56.911 55.803 -0.046 0.000 0.856 592 Q CB -0.134 28.586 28.738 -0.029 0.000 0.902 592 Q HN 0.418 nan 8.270 nan 0.000 0.425 593 R N -0.014 120.521 120.500 0.058 0.000 2.152 593 R HA -0.069 4.285 4.340 0.023 0.000 0.232 593 R C 2.044 178.488 176.300 0.239 0.000 1.117 593 R CA 0.969 57.162 56.100 0.155 0.000 0.981 593 R CB -0.159 30.215 30.300 0.122 0.000 0.870 593 R HN 0.317 nan 8.270 nan 0.000 0.451 594 I N 0.237 120.889 120.570 0.137 0.000 2.406 594 I HA -0.171 4.013 4.170 0.023 0.000 0.249 594 I C 2.277 178.536 176.117 0.237 0.000 1.122 594 I CA 0.703 62.112 61.300 0.182 0.000 1.431 594 I CB -0.154 37.885 38.000 0.066 0.000 1.087 594 I HN 0.050 nan 8.210 nan 0.000 0.424 595 R N 1.033 121.583 120.500 0.083 0.000 2.127 595 R HA -0.131 4.223 4.340 0.023 0.000 0.238 595 R C 2.187 178.639 176.300 0.252 0.000 1.134 595 R CA 1.113 57.248 56.100 0.059 0.000 0.975 595 R CB -0.553 29.632 30.300 -0.191 0.000 0.865 595 R HN 0.421 nan 8.270 nan 0.000 0.447 596 R N 0.015 120.607 120.500 0.153 0.000 2.193 596 R HA -0.029 4.325 4.340 0.023 0.000 0.229 596 R C 2.062 178.320 176.300 -0.071 0.000 1.110 596 R CA 1.004 57.108 56.100 0.008 0.000 0.988 596 R CB -0.199 30.009 30.300 -0.154 0.000 0.871 596 R HN 0.160 nan 8.270 nan 0.000 0.458 597 A N 0.698 123.588 122.820 0.116 0.000 2.067 597 A HA -0.056 4.278 4.320 0.023 0.000 0.219 597 A C 0.527 178.097 177.584 -0.022 0.000 1.158 597 A CA 0.615 52.684 52.037 0.054 0.000 0.661 597 A CB -0.155 18.945 19.000 0.168 0.000 0.801 597 A HN 0.122 nan 8.150 nan 0.000 0.452 598 F N 1.141 121.166 119.950 0.125 0.000 2.413 598 F HA 0.470 5.012 4.527 0.024 0.000 0.359 598 F C 0.375 176.217 175.800 0.069 0.000 1.122 598 F CA -0.485 57.596 58.000 0.135 0.000 1.160 598 F CB 0.461 39.639 39.000 0.297 0.000 1.146 598 F HN 0.207 nan 8.300 nan 0.000 0.514 599 I N 0.206 120.841 120.570 0.108 0.000 2.957 599 I HA 0.928 5.112 4.170 0.023 0.000 0.310 599 I C -0.434 175.696 176.117 0.023 0.000 1.063 599 I CA -1.463 59.869 61.300 0.054 0.000 1.033 599 I CB 1.721 39.723 38.000 0.002 0.000 1.230 599 I HN 0.440 nan 8.210 nan 0.000 0.447 600 A N 2.038 124.876 122.820 0.030 0.000 2.322 600 A HA 0.271 4.605 4.320 0.023 0.000 0.269 600 A C 0.162 177.744 177.584 -0.004 0.000 1.094 600 A CA -0.309 51.744 52.037 0.027 0.000 0.807 600 A CB 0.386 19.452 19.000 0.109 0.000 1.047 600 A HN 0.891 nan 8.150 nan 0.000 0.487 601 E N 1.208 121.352 120.200 -0.092 0.000 2.436 601 E HA 0.004 4.368 4.350 0.023 0.000 0.262 601 E C 0.158 176.790 176.600 0.053 0.000 1.063 601 E CA -0.152 56.170 56.400 -0.129 0.000 0.944 601 E CB 0.465 29.899 29.700 -0.444 0.000 0.950 601 E HN 0.674 nan 8.360 nan 0.000 0.444 602 E N 3.044 123.282 120.200 0.063 0.000 2.417 602 E HA 0.061 4.425 4.350 0.023 0.000 0.261 602 E C 0.621 177.362 176.600 0.235 0.000 1.000 602 E CA 0.591 57.062 56.400 0.117 0.000 0.919 602 E CB 0.858 30.600 29.700 0.070 0.000 0.955 602 E HN 0.833 nan 8.360 nan 0.000 0.455 603 G N 2.718 111.640 108.800 0.203 0.000 2.176 603 G HA2 -0.240 3.734 3.960 0.023 0.000 0.232 603 G HA3 -0.240 3.734 3.960 0.023 0.000 0.232 603 G C -0.576 174.410 174.900 0.144 0.000 0.986 603 G CA 0.024 45.224 45.100 0.167 0.000 0.643 603 G HN 0.512 nan 8.290 nan 0.000 0.522 604 W N -0.330 120.960 121.300 -0.017 0.000 2.762 604 W HA 0.857 5.531 4.660 0.023 0.000 0.355 604 W C 0.273 176.780 176.519 -0.020 0.000 1.124 604 W CA -1.037 56.295 57.345 -0.021 0.000 1.141 604 W CB 0.969 30.414 29.460 -0.025 0.000 1.432 604 W HN 0.079 nan 8.180 nan 0.000 0.586 605 L N 1.363 122.718 121.223 0.219 0.000 2.350 605 L HA 0.520 4.874 4.340 0.023 0.000 0.260 605 L C -0.599 176.343 176.870 0.120 0.000 1.015 605 L CA -1.214 53.699 54.840 0.123 0.000 0.821 605 L CB 1.665 43.755 42.059 0.053 0.000 1.370 605 L HN 0.086 nan 8.230 nan 0.000 0.416 606 L N 2.019 123.285 121.223 0.071 0.000 2.326 606 L HA 0.468 4.822 4.340 0.023 0.000 0.278 606 L C -0.690 176.192 176.870 0.021 0.000 1.092 606 L CA -0.673 54.185 54.840 0.030 0.000 0.810 606 L CB 1.614 43.674 42.059 0.003 0.000 1.153 606 L HN 0.239 nan 8.230 nan 0.000 0.439 607 V N 2.576 122.489 119.914 -0.001 0.000 2.409 607 V HA 0.608 4.742 4.120 0.023 0.000 0.291 607 V C 0.087 176.167 176.094 -0.023 0.000 1.020 607 V CA -0.547 61.750 62.300 -0.005 0.000 0.848 607 V CB 1.554 33.372 31.823 -0.008 0.000 0.990 607 V HN 0.852 nan 8.190 nan 0.000 0.430 608 A N 6.230 129.053 122.820 0.005 0.000 2.318 608 A HA 0.936 5.270 4.320 0.023 0.000 0.317 608 A C -1.093 176.499 177.584 0.012 0.000 1.159 608 A CA -0.427 51.624 52.037 0.023 0.000 0.799 608 A CB 0.791 19.861 19.000 0.118 0.000 1.194 608 A HN 0.730 nan 8.150 nan 0.000 0.479 609 L N 2.296 123.510 121.223 -0.015 0.000 2.362 609 L HA 0.562 4.916 4.340 0.023 0.000 0.275 609 L C -0.493 176.338 176.870 -0.066 0.000 0.998 609 L CA -0.262 54.541 54.840 -0.063 0.000 0.820 609 L CB 2.100 44.088 42.059 -0.119 0.000 1.270 609 L HN 0.671 nan 8.230 nan 0.000 0.415 610 D N 1.608 121.966 120.400 -0.071 0.000 2.620 610 D HA 0.202 4.856 4.640 0.023 0.000 0.252 610 D C -1.212 175.068 176.300 -0.033 0.000 1.207 610 D CA -0.511 53.482 54.000 -0.011 0.000 0.884 610 D CB 1.132 41.964 40.800 0.053 0.000 1.262 610 D HN 0.236 nan 8.370 nan 0.000 0.552 611 Y N 1.608 121.928 120.300 0.033 0.000 2.569 611 Y HA 0.064 4.628 4.550 0.023 0.000 0.332 611 Y C 1.168 177.078 175.900 0.016 0.000 1.120 611 Y CA 0.276 58.383 58.100 0.012 0.000 1.416 611 Y CB 0.662 39.122 38.460 0.001 0.000 1.210 611 Y HN 0.142 nan 8.280 nan 0.000 0.528 612 S N 4.371 120.170 115.700 0.164 0.000 2.488 612 S HA 0.071 4.555 4.470 0.023 0.000 0.278 612 S C 0.107 174.754 174.600 0.078 0.000 1.259 612 S CA -0.684 57.582 58.200 0.110 0.000 1.061 612 S CB 0.170 63.418 63.200 0.080 0.000 0.910 612 S HN 0.697 nan 8.310 nan 0.000 0.491 613 Q N 0.620 120.483 119.800 0.105 0.000 2.435 613 Q HA -0.229 4.125 4.340 0.023 0.000 0.312 613 Q C 0.610 176.599 176.000 -0.017 0.000 1.333 613 Q CA 0.522 56.383 55.803 0.096 0.000 0.883 613 Q CB -1.874 26.922 28.738 0.097 0.000 1.170 613 Q HN 0.817 nan 8.270 nan 0.000 0.443 614 I N -0.233 120.323 120.570 -0.023 0.000 2.286 614 I HA -0.296 3.888 4.170 0.023 0.000 0.248 614 I C 1.897 177.921 176.117 -0.154 0.000 1.115 614 I CA 1.600 62.818 61.300 -0.136 0.000 1.392 614 I CB 0.128 38.023 38.000 -0.176 0.000 1.065 614 I HN 0.427 nan 8.210 nan 0.000 0.418 615 E N 0.513 120.664 120.200 -0.083 0.000 2.106 615 E HA -0.217 4.147 4.350 0.023 0.000 0.192 615 E C 2.294 178.851 176.600 -0.071 0.000 0.984 615 E CA 1.111 57.464 56.400 -0.078 0.000 0.806 615 E CB -0.130 29.539 29.700 -0.052 0.000 0.750 615 E HN 0.537 nan 8.360 nan 0.000 0.458 616 L N 0.617 121.833 121.223 -0.011 0.000 2.093 616 L HA -0.168 4.186 4.340 0.023 0.000 0.208 616 L C 2.603 179.462 176.870 -0.019 0.000 1.085 616 L CA 1.101 55.970 54.840 0.049 0.000 0.755 616 L CB -0.201 41.986 42.059 0.213 0.000 0.904 616 L HN 0.066 nan 8.230 nan 0.000 0.435 617 R N -0.965 119.363 120.500 -0.287 0.000 2.075 617 R HA -0.120 4.234 4.340 0.023 0.000 0.232 617 R C 2.218 178.362 176.300 -0.261 0.000 1.126 617 R CA 1.102 56.865 56.100 -0.563 0.000 0.963 617 R CB -0.499 29.344 30.300 -0.762 0.000 0.858 617 R HN 0.146 nan 8.270 nan 0.000 0.435 618 V N 1.605 121.385 119.914 -0.223 0.000 2.332 618 V HA -0.254 3.880 4.120 0.023 0.000 0.248 618 V C 2.222 178.211 176.094 -0.176 0.000 1.055 618 V CA 1.656 63.850 62.300 -0.177 0.000 1.038 618 V CB -0.453 31.260 31.823 -0.184 0.000 0.651 618 V HN 0.247 nan 8.190 nan 0.000 0.450 619 L N 0.737 121.837 121.223 -0.206 0.000 2.042 619 L HA -0.120 4.234 4.340 0.023 0.000 0.210 619 L C 2.463 179.177 176.870 -0.260 0.000 1.076 619 L CA 2.413 57.064 54.840 -0.315 0.000 0.749 619 L CB -0.992 40.933 42.059 -0.224 0.000 0.893 619 L HN 0.237 nan 8.230 nan 0.000 0.432 620 A N -1.342 121.420 122.820 -0.095 0.000 1.883 620 A HA -0.329 4.005 4.320 0.023 0.000 0.217 620 A C 2.287 179.849 177.584 -0.037 0.000 1.186 620 A CA 2.002 54.029 52.037 -0.017 0.000 0.624 620 A CB -1.085 18.025 19.000 0.184 0.000 0.822 620 A HN 0.735 nan 8.150 nan 0.000 0.444 621 H N -0.163 118.832 119.070 -0.125 0.000 2.270 621 H HA -0.012 4.557 4.556 0.023 0.000 0.299 621 H C 1.822 177.071 175.328 -0.133 0.000 1.077 621 H CA 2.005 57.991 56.048 -0.104 0.000 1.294 621 H CB -0.310 29.390 29.762 -0.103 0.000 1.371 621 H HN 0.330 nan 8.280 nan 0.000 0.491 622 L N -0.066 121.038 121.223 -0.198 0.000 2.043 622 L HA -0.211 4.144 4.340 0.023 0.000 0.212 622 L C 2.701 179.342 176.870 -0.381 0.000 1.075 622 L CA 1.807 56.458 54.840 -0.315 0.000 0.752 622 L CB -0.634 41.112 42.059 -0.521 0.000 0.891 622 L HN 0.496 nan 8.230 nan 0.000 0.432 623 S N -1.171 114.244 115.700 -0.475 0.000 2.439 623 S HA 0.086 4.570 4.470 0.023 0.000 0.224 623 S C 1.648 176.213 174.600 -0.060 0.000 1.029 623 S CA 0.518 58.577 58.200 -0.235 0.000 0.946 623 S CB 0.377 63.445 63.200 -0.219 0.000 0.797 623 S HN 0.534 nan 8.310 nan 0.000 0.504 624 G N 1.341 110.079 108.800 -0.103 0.000 2.148 624 G HA2 -0.281 3.693 3.960 0.023 0.000 0.254 624 G HA3 -0.281 3.693 3.960 0.023 0.000 0.254 624 G C -0.254 174.635 174.900 -0.017 0.000 0.981 624 G CA 0.190 45.255 45.100 -0.058 0.000 0.670 624 G HN 0.747 nan 8.290 nan 0.000 0.528 625 D N -0.024 120.367 120.400 -0.015 0.000 2.472 625 D HA 0.397 5.051 4.640 0.023 0.000 0.248 625 D C 1.508 177.821 176.300 0.021 0.000 1.174 625 D CA 0.384 54.392 54.000 0.013 0.000 0.883 625 D CB 0.451 41.262 40.800 0.018 0.000 1.149 625 D HN 0.400 nan 8.370 nan 0.000 0.488 626 E N 2.230 122.445 120.200 0.024 0.000 2.047 626 E HA -0.152 4.212 4.350 0.023 0.000 0.191 626 E C 1.461 178.085 176.600 0.041 0.000 0.987 626 E CA 0.824 57.241 56.400 0.029 0.000 0.799 626 E CB 0.019 29.732 29.700 0.022 0.000 0.752 626 E HN 0.447 nan 8.360 nan 0.000 0.449 627 N N 0.256 118.979 118.700 0.038 0.000 2.104 627 N HA -0.159 4.596 4.740 0.023 0.000 0.190 627 N C 1.624 177.204 175.510 0.116 0.000 1.024 627 N CA 0.722 53.804 53.050 0.054 0.000 0.853 627 N CB -0.308 38.092 38.487 -0.144 0.000 1.008 627 N HN 0.072 nan 8.380 nan 0.000 0.424 628 L N 1.234 122.517 121.223 0.099 0.000 2.005 628 L HA 0.015 4.370 4.340 0.023 0.000 0.207 628 L C 2.064 178.884 176.870 -0.083 0.000 1.072 628 L CA 1.231 55.991 54.840 -0.133 0.000 0.744 628 L CB -0.722 41.192 42.059 -0.242 0.000 0.895 628 L HN 0.139 nan 8.230 nan 0.000 0.433 629 I N -0.856 119.741 120.570 0.045 0.000 2.163 629 I HA -0.357 3.827 4.170 0.023 0.000 0.243 629 I C 2.725 178.898 176.117 0.094 0.000 1.085 629 I CA 1.449 62.824 61.300 0.125 0.000 1.347 629 I CB -0.474 37.580 38.000 0.091 0.000 1.044 629 I HN 0.341 nan 8.210 nan 0.000 0.408 630 R N 1.065 121.597 120.500 0.054 0.000 2.096 630 R HA -0.201 4.153 4.340 0.023 0.000 0.240 630 R C 2.298 178.613 176.300 0.026 0.000 1.139 630 R CA 2.173 58.304 56.100 0.052 0.000 0.952 630 R CB -0.447 29.891 30.300 0.064 0.000 0.854 630 R HN 0.202 nan 8.270 nan 0.000 0.436 631 V N 0.887 120.773 119.914 -0.046 0.000 2.282 631 V HA -0.280 3.854 4.120 0.023 0.000 0.249 631 V C 2.211 178.214 176.094 -0.152 0.000 1.057 631 V CA 2.085 64.296 62.300 -0.148 0.000 1.032 631 V CB -0.645 30.968 31.823 -0.349 0.000 0.645 631 V HN 0.230 nan 8.190 nan 0.000 0.447 632 F N -0.046 119.910 119.950 0.010 0.000 2.163 632 F HA -0.073 4.470 4.527 0.026 0.000 0.297 632 F C 2.608 178.413 175.800 0.008 0.000 1.094 632 F CA 1.234 59.231 58.000 -0.003 0.000 1.290 632 F CB -0.848 38.140 39.000 -0.019 0.000 1.017 632 F HN 0.107 nan 8.300 nan 0.000 0.483 633 Q N -0.011 119.904 119.800 0.191 0.000 2.226 633 Q HA -0.174 4.180 4.340 0.023 0.000 0.204 633 Q C 1.582 177.631 176.000 0.081 0.000 0.975 633 Q CA 1.268 57.140 55.803 0.116 0.000 0.866 633 Q CB -0.221 28.571 28.738 0.090 0.000 0.915 633 Q HN 0.513 nan 8.270 nan 0.000 0.440 634 E N -0.779 119.462 120.200 0.068 0.000 2.502 634 E HA 0.019 4.383 4.350 0.023 0.000 0.194 634 E C 0.644 177.272 176.600 0.046 0.000 1.062 634 E CA 0.272 56.700 56.400 0.046 0.000 0.867 634 E CB 0.277 29.997 29.700 0.032 0.000 0.888 634 E HN 0.487 nan 8.360 nan 0.000 0.510 635 G N 2.391 111.233 108.800 0.070 0.000 2.160 635 G HA2 -0.284 3.690 3.960 0.023 0.000 0.251 635 G HA3 -0.284 3.690 3.960 0.023 0.000 0.251 635 G C 0.192 175.123 174.900 0.052 0.000 1.008 635 G CA 0.027 45.169 45.100 0.071 0.000 0.724 635 G HN 0.045 nan 8.290 nan 0.000 0.514 636 R N 0.108 120.627 120.500 0.031 0.000 2.577 636 R HA 0.414 4.768 4.340 0.023 0.000 0.269 636 R C -0.378 175.915 176.300 -0.012 0.000 1.084 636 R CA -0.597 55.502 56.100 -0.003 0.000 1.163 636 R CB 0.451 30.735 30.300 -0.027 0.000 1.100 636 R HN 0.278 nan 8.270 nan 0.000 0.547 637 D N 1.474 121.861 120.400 -0.023 0.000 2.428 637 D HA 0.100 4.754 4.640 0.023 0.000 0.221 637 D C 1.123 177.367 176.300 -0.093 0.000 1.123 637 D CA -0.597 53.381 54.000 -0.037 0.000 0.869 637 D CB 0.461 41.258 40.800 -0.006 0.000 1.032 637 D HN 0.353 nan 8.370 nan 0.000 0.506 638 I N 2.735 123.182 120.570 -0.204 0.000 2.143 638 I HA -0.324 3.860 4.170 0.023 0.000 0.245 638 I C 1.914 177.994 176.117 -0.060 0.000 1.068 638 I CA 1.477 62.632 61.300 -0.241 0.000 1.326 638 I CB -1.105 36.669 38.000 -0.375 0.000 1.028 638 I HN 0.441 nan 8.210 nan 0.000 0.412 639 H N 0.956 120.015 119.070 -0.018 0.000 2.421 639 H HA -0.054 4.515 4.556 0.022 0.000 0.298 639 H C 2.461 177.775 175.328 -0.022 0.000 1.087 639 H CA 2.097 58.123 56.048 -0.037 0.000 1.330 639 H CB -1.086 28.641 29.762 -0.058 0.000 1.388 639 H HN 0.597 nan 8.280 nan 0.000 0.526 640 T N -1.105 113.503 114.554 0.090 0.000 3.014 640 T HA -0.018 4.346 4.350 0.023 0.000 0.263 640 T C 1.729 176.442 174.700 0.022 0.000 1.078 640 T CA 0.560 62.682 62.100 0.037 0.000 1.135 640 T CB 0.303 69.181 68.868 0.016 0.000 0.895 640 T HN 0.166 nan 8.240 nan 0.000 0.480 641 E N 1.599 121.829 120.200 0.050 0.000 2.051 641 E HA -0.018 4.346 4.350 0.023 0.000 0.189 641 E C 2.811 179.603 176.600 0.321 0.000 0.979 641 E CA 1.760 58.226 56.400 0.110 0.000 0.803 641 E CB -1.031 28.751 29.700 0.137 0.000 0.761 641 E HN 0.759 nan 8.360 nan 0.000 0.451 642 T N 1.051 115.792 114.554 0.313 0.000 2.759 642 T HA -0.055 4.309 4.350 0.023 0.000 0.269 642 T C 1.954 176.840 174.700 0.310 0.000 1.042 642 T CA 2.362 64.695 62.100 0.388 0.000 1.140 642 T CB -0.247 68.757 68.868 0.227 0.000 0.864 642 T HN 0.153 nan 8.240 nan 0.000 0.455 643 A N 0.933 123.822 122.820 0.115 0.000 2.119 643 A HA 0.445 4.779 4.320 0.023 0.000 0.216 643 A C 2.866 180.398 177.584 -0.087 0.000 1.152 643 A CA 1.668 53.691 52.037 -0.024 0.000 0.708 643 A CB -0.931 18.038 19.000 -0.052 0.000 0.805 643 A HN 0.720 nan 8.150 nan 0.000 0.460 644 S N -0.691 114.942 115.700 -0.113 0.000 2.442 644 S HA -0.144 4.340 4.470 0.023 0.000 0.236 644 S C 1.301 175.552 174.600 -0.581 0.000 1.007 644 S CA 1.183 59.175 58.200 -0.346 0.000 0.965 644 S CB -0.767 62.151 63.200 -0.470 0.000 0.773 644 S HN 0.717 nan 8.310 nan 0.000 0.504 645 W N 0.245 121.263 121.300 -0.471 0.000 3.447 645 W HA 0.556 5.231 4.660 0.026 0.000 0.348 645 W C 0.221 176.339 176.519 -0.668 0.000 1.220 645 W CA -0.602 56.217 57.345 -0.877 0.000 1.809 645 W CB -0.694 28.299 29.460 -0.779 0.000 1.040 645 W HN 0.080 nan 8.180 nan 0.000 0.735 646 M N 0.935 120.367 119.600 -0.280 0.000 3.561 646 M HA 0.203 4.697 4.480 0.023 0.000 0.230 646 M C -0.170 176.075 176.300 -0.092 0.000 1.387 646 M CA -0.454 54.735 55.300 -0.184 0.000 1.570 646 M CB -0.744 31.744 32.600 -0.186 0.000 1.057 646 M HN -0.210 nan 8.290 nan 0.000 0.607 647 F N 1.161 121.090 119.950 -0.034 0.000 2.518 647 F HA 0.034 4.567 4.527 0.011 0.000 0.329 647 F C 1.675 177.426 175.800 -0.082 0.000 1.009 647 F CA 1.862 59.817 58.000 -0.075 0.000 1.248 647 F CB 0.043 39.018 39.000 -0.042 0.000 0.933 647 F HN 0.741 nan 8.300 nan 0.000 0.625 648 G N 0.351 109.253 108.800 0.170 0.000 2.144 648 G HA2 -0.021 3.953 3.960 0.023 0.000 0.218 648 G HA3 -0.021 3.953 3.960 0.023 0.000 0.218 648 G C -0.882 174.009 174.900 -0.014 0.000 0.988 648 G CA -0.220 44.912 45.100 0.054 0.000 0.659 648 G HN 1.234 nan 8.290 nan 0.000 0.522 649 V N -1.801 118.074 119.914 -0.066 0.000 2.555 649 V HA 0.449 4.583 4.120 0.023 0.000 0.283 649 V C -0.701 175.297 176.094 -0.160 0.000 1.020 649 V CA -0.836 61.406 62.300 -0.096 0.000 0.883 649 V CB 1.597 33.370 31.823 -0.084 0.000 1.030 649 V HN 0.046 nan 8.190 nan 0.000 0.448 650 P HA -0.097 nan 4.420 nan 0.000 0.213 650 P C 0.080 177.295 177.300 -0.141 0.000 1.170 650 P CA 1.264 64.263 63.100 -0.169 0.000 0.898 650 P CB 0.275 31.905 31.700 -0.115 0.000 0.787 651 R N -0.197 120.247 120.500 -0.093 0.000 2.772 651 R HA 0.167 4.521 4.340 0.023 0.000 0.288 651 R C 0.181 176.451 176.300 -0.049 0.000 1.365 651 R CA -0.430 55.629 56.100 -0.068 0.000 1.023 651 R CB 0.478 30.747 30.300 -0.050 0.000 1.261 651 R HN 0.115 nan 8.270 nan 0.000 0.422 658 M N 3.268 122.865 119.600 -0.004 0.000 2.209 658 M HA 0.336 4.830 4.480 0.023 0.000 0.355 658 M C 0.896 177.179 176.300 -0.029 0.000 1.171 658 M CA 0.106 55.401 55.300 -0.009 0.000 1.069 658 M CB 1.201 33.802 32.600 0.001 0.000 1.622 658 M HN 0.660 nan 8.290 nan 0.000 0.459 659 R N 2.505 122.987 120.500 -0.031 0.000 2.200 659 R HA 0.019 4.373 4.340 0.023 0.000 0.208 659 R C 0.963 177.202 176.300 -0.101 0.000 1.033 659 R CA 0.777 56.852 56.100 -0.042 0.000 1.000 659 R CB 0.315 30.612 30.300 -0.005 0.000 0.906 659 R HN 0.491 nan 8.270 nan 0.000 0.462 660 R N 0.368 120.813 120.500 -0.092 0.000 2.285 660 R HA 0.015 4.369 4.340 0.023 0.000 0.213 660 R C 1.686 177.902 176.300 -0.141 0.000 1.068 660 R CA 0.986 57.006 56.100 -0.133 0.000 1.004 660 R CB -0.544 29.713 30.300 -0.071 0.000 0.873 660 R HN 0.297 nan 8.270 nan 0.000 0.467 661 A N 1.005 123.768 122.820 -0.095 0.000 1.878 661 A HA 0.172 4.506 4.320 0.023 0.000 0.213 661 A C 2.307 179.813 177.584 -0.130 0.000 1.192 661 A CA 1.052 53.052 52.037 -0.062 0.000 0.619 661 A CB -0.470 18.538 19.000 0.014 0.000 0.837 661 A HN 0.260 nan 8.150 nan 0.000 0.446 662 A N -0.206 122.524 122.820 -0.150 0.000 1.972 662 A HA -0.141 4.193 4.320 0.023 0.000 0.219 662 A C 2.093 179.513 177.584 -0.274 0.000 1.169 662 A CA 1.949 53.900 52.037 -0.144 0.000 0.635 662 A CB -0.387 18.581 19.000 -0.054 0.000 0.810 662 A HN 0.526 nan 8.150 nan 0.000 0.446 663 K N -0.977 119.140 120.400 -0.472 0.000 2.031 663 K HA -0.092 4.242 4.320 0.023 0.000 0.205 663 K C 1.976 178.008 176.600 -0.947 0.000 1.049 663 K CA 1.644 57.329 56.287 -1.003 0.000 0.939 663 K CB -0.246 31.672 32.500 -0.970 0.000 0.717 663 K HN 0.413 nan 8.250 nan 0.000 0.438 664 T N 1.517 115.769 114.554 -0.504 0.000 2.833 664 T HA -0.100 4.264 4.350 0.023 0.000 0.269 664 T C 1.757 176.327 174.700 -0.216 0.000 1.054 664 T CA 1.227 63.157 62.100 -0.283 0.000 1.135 664 T CB -0.085 68.716 68.868 -0.110 0.000 0.869 664 T HN 0.175 nan 8.240 nan 0.000 0.466 665 I N 1.191 121.619 120.570 -0.236 0.000 2.193 665 I HA -0.148 4.036 4.170 0.023 0.000 0.240 665 I C 2.514 178.429 176.117 -0.336 0.000 1.084 665 I CA 0.832 61.993 61.300 -0.232 0.000 1.365 665 I CB -0.390 37.490 38.000 -0.199 0.000 1.064 665 I HN 0.149 nan 8.210 nan 0.000 0.410 666 N N 0.996 119.510 118.700 -0.309 0.000 2.060 666 N HA -0.220 4.534 4.740 0.023 0.000 0.195 666 N C 1.795 177.267 175.510 -0.064 0.000 1.028 666 N CA 1.689 54.619 53.050 -0.199 0.000 0.861 666 N CB -0.439 38.039 38.487 -0.016 0.000 1.029 666 N HN 0.192 nan 8.380 nan 0.000 0.428 667 F N 0.849 120.656 119.950 -0.237 0.000 2.102 667 F HA 0.021 4.565 4.527 0.029 0.000 0.298 667 F C 2.683 178.204 175.800 -0.465 0.000 1.105 667 F CA 0.743 58.526 58.000 -0.361 0.000 1.239 667 F CB -1.520 37.352 39.000 -0.213 0.000 0.991 667 F HN 0.060 nan 8.300 nan 0.000 0.474 668 G N -0.049 108.722 108.800 -0.049 0.000 2.485 668 G HA2 -0.181 3.793 3.960 0.023 0.000 0.221 668 G HA3 -0.181 3.793 3.960 0.023 0.000 0.221 668 G C 1.809 176.678 174.900 -0.053 0.000 1.115 668 G CA 1.226 46.314 45.100 -0.020 0.000 0.751 668 G HN 0.299 nan 8.290 nan 0.000 0.567 669 V N 0.384 120.191 119.914 -0.178 0.000 2.453 669 V HA -0.040 4.094 4.120 0.023 0.000 0.247 669 V C 2.716 178.858 176.094 0.081 0.000 1.048 669 V CA 0.909 63.133 62.300 -0.127 0.000 1.049 669 V CB -0.267 31.317 31.823 -0.398 0.000 0.672 669 V HN 0.225 nan 8.190 nan 0.000 0.457 670 L N -0.897 120.277 121.223 -0.082 0.000 2.201 670 L HA -0.097 4.257 4.340 0.023 0.000 0.212 670 L C 2.023 178.954 176.870 0.102 0.000 1.105 670 L CA 1.809 56.618 54.840 -0.052 0.000 0.775 670 L CB -0.922 40.918 42.059 -0.365 0.000 0.913 670 L HN 0.394 nan 8.230 nan 0.000 0.440 671 Y N -1.117 119.284 120.300 0.169 0.000 2.444 671 Y HA 0.514 5.078 4.550 0.024 0.000 0.249 671 Y C 1.805 177.779 175.900 0.123 0.000 1.134 671 Y CA -0.495 57.646 58.100 0.069 0.000 1.261 671 Y CB -0.416 38.071 38.460 0.045 0.000 1.143 671 Y HN 0.119 nan 8.280 nan 0.000 0.523 672 G N 1.102 110.160 108.800 0.431 0.000 2.171 672 G HA2 -0.327 3.647 3.960 0.023 0.000 0.238 672 G HA3 -0.327 3.647 3.960 0.023 0.000 0.238 672 G C 0.256 175.327 174.900 0.285 0.000 1.039 672 G CA 0.163 45.540 45.100 0.462 0.000 0.759 672 G HN 0.343 nan 8.290 nan 0.000 0.501 673 M N 1.890 121.634 119.600 0.238 0.000 2.238 673 M HA 0.445 4.939 4.480 0.023 0.000 0.350 673 M C 1.081 177.475 176.300 0.157 0.000 1.321 673 M CA 0.536 55.948 55.300 0.186 0.000 1.097 673 M CB 0.433 33.133 32.600 0.166 0.000 1.713 673 M HN 0.734 nan 8.290 nan 0.000 0.455 674 S N 4.149 119.940 115.700 0.151 0.000 2.713 674 S HA 0.627 5.112 4.470 0.023 0.000 0.283 674 S C 0.963 175.631 174.600 0.112 0.000 1.161 674 S CA -0.443 57.842 58.200 0.141 0.000 0.999 674 S CB 1.457 64.752 63.200 0.159 0.000 1.039 674 S HN 0.857 nan 8.310 nan 0.000 0.548 675 A N 0.661 123.517 122.820 0.059 0.000 1.892 675 A HA -0.219 4.115 4.320 0.023 0.000 0.218 675 A C 2.140 179.701 177.584 -0.038 0.000 1.188 675 A CA 1.999 53.977 52.037 -0.099 0.000 0.631 675 A CB -1.766 17.011 19.000 -0.371 0.000 0.822 675 A HN 1.052 nan 8.150 nan 0.000 0.447 676 H N -0.674 118.465 119.070 0.115 0.000 2.426 676 H HA -0.163 4.408 4.556 0.025 0.000 0.298 676 H C 2.322 177.733 175.328 0.139 0.000 1.107 676 H CA 2.095 58.309 56.048 0.276 0.000 1.298 676 H CB 0.090 30.035 29.762 0.306 0.000 1.377 676 H HN 0.431 nan 8.280 nan 0.000 0.519 677 R N 0.554 121.150 120.500 0.160 0.000 2.093 677 R HA 0.009 4.363 4.340 0.023 0.000 0.224 677 R C 2.737 179.059 176.300 0.036 0.000 1.101 677 R CA 0.626 56.783 56.100 0.096 0.000 0.979 677 R CB -0.528 29.852 30.300 0.132 0.000 0.877 677 R HN 0.307 nan 8.270 nan 0.000 0.441 678 L N 0.042 121.278 121.223 0.022 0.000 2.127 678 L HA -0.193 4.161 4.340 0.023 0.000 0.211 678 L C 2.011 178.863 176.870 -0.031 0.000 1.089 678 L CA 1.511 56.352 54.840 0.001 0.000 0.757 678 L CB -0.305 41.747 42.059 -0.011 0.000 0.899 678 L HN 0.288 nan 8.230 nan 0.000 0.434 679 S N -0.527 115.133 115.700 -0.068 0.000 2.354 679 S HA -0.314 4.170 4.470 0.023 0.000 0.219 679 S C 2.317 176.882 174.600 -0.059 0.000 1.035 679 S CA 1.778 59.930 58.200 -0.080 0.000 1.037 679 S CB -0.721 62.425 63.200 -0.091 0.000 0.956 679 S HN 0.606 nan 8.310 nan 0.000 0.428 680 Q N 0.578 120.334 119.800 -0.074 0.000 2.135 680 Q HA -0.075 4.279 4.340 0.023 0.000 0.204 680 Q C 1.872 177.871 176.000 -0.003 0.000 0.981 680 Q CA 2.023 57.803 55.803 -0.038 0.000 0.856 680 Q CB -1.628 27.089 28.738 -0.036 0.000 0.902 680 Q HN 0.878 nan 8.270 nan 0.000 0.425 681 E N -0.394 119.810 120.200 0.007 0.000 2.445 681 E HA 0.531 4.895 4.350 0.023 0.000 0.189 681 E C 1.310 177.922 176.600 0.020 0.000 1.069 681 E CA 0.549 56.965 56.400 0.027 0.000 0.871 681 E CB -0.037 29.692 29.700 0.048 0.000 0.991 681 E HN 0.666 nan 8.360 nan 0.000 0.481 682 L N -2.600 118.628 121.223 0.008 0.000 3.689 682 L HA 0.436 4.790 4.340 0.023 0.000 0.344 682 L C 1.371 178.244 176.870 0.004 0.000 1.221 682 L CA 0.318 55.166 54.840 0.013 0.000 1.171 682 L CB 0.773 42.846 42.059 0.023 0.000 1.540 682 L HN 0.361 nan 8.230 nan 0.000 0.631 683 A N 1.119 123.937 122.820 -0.004 0.000 2.799 683 A HA -0.219 4.115 4.320 0.023 0.000 0.287 683 A C 0.138 177.712 177.584 -0.017 0.000 1.484 683 A CA 0.871 52.905 52.037 -0.006 0.000 0.813 683 A CB -1.896 17.108 19.000 0.006 0.000 1.009 683 A HN 0.224 nan 8.150 nan 0.000 0.545 684 I N -0.137 120.410 120.570 -0.039 0.000 2.404 684 I HA 0.377 4.561 4.170 0.023 0.000 0.293 684 I C -2.106 173.965 176.117 -0.077 0.000 0.992 684 I CA -2.475 58.782 61.300 -0.073 0.000 1.149 684 I CB 1.358 39.279 38.000 -0.132 0.000 1.315 684 I HN -0.054 nan 8.210 nan 0.000 0.446 685 P HA -0.097 nan 4.420 nan 0.000 0.264 685 P C 0.727 178.020 177.300 -0.013 0.000 1.179 685 P CA 0.343 63.433 63.100 -0.017 0.000 0.763 685 P CB 0.374 32.064 31.700 -0.016 0.000 0.806 686 Y N 3.405 123.666 120.300 -0.065 0.000 2.228 686 Y HA -0.337 4.228 4.550 0.025 0.000 0.285 686 Y C 1.881 177.752 175.900 -0.048 0.000 1.178 686 Y CA 1.818 59.891 58.100 -0.044 0.000 1.202 686 Y CB -0.061 38.405 38.460 0.010 0.000 0.974 686 Y HN 0.355 nan 8.280 nan 0.000 0.527 687 E N 0.014 120.249 120.200 0.058 0.000 2.047 687 E HA -0.191 4.173 4.350 0.023 0.000 0.191 687 E C 2.350 178.859 176.600 -0.152 0.000 0.987 687 E CA 1.591 57.988 56.400 -0.005 0.000 0.799 687 E CB -0.779 28.942 29.700 0.036 0.000 0.752 687 E HN 0.749 nan 8.360 nan 0.000 0.449 688 E N 0.894 120.958 120.200 -0.226 0.000 2.482 688 E HA 0.192 4.556 4.350 0.023 0.000 0.196 688 E C 1.808 177.993 176.600 -0.692 0.000 1.047 688 E CA 0.958 57.100 56.400 -0.430 0.000 0.869 688 E CB -0.399 29.026 29.700 -0.459 0.000 0.836 688 E HN 0.285 nan 8.360 nan 0.000 0.520 689 A N 1.011 123.558 122.820 -0.455 0.000 1.871 689 A HA -0.083 4.251 4.320 0.023 0.000 0.211 689 A C 2.404 179.854 177.584 -0.223 0.000 1.207 689 A CA 1.398 53.218 52.037 -0.362 0.000 0.620 689 A CB -0.260 18.556 19.000 -0.306 0.000 0.860 689 A HN 0.541 nan 8.150 nan 0.000 0.450 690 Q N -0.177 119.440 119.800 -0.304 0.000 2.152 690 Q HA -0.126 4.228 4.340 0.023 0.000 0.206 690 Q C 1.985 177.976 176.000 -0.015 0.000 0.985 690 Q CA 1.852 57.550 55.803 -0.174 0.000 0.863 690 Q CB -0.556 28.050 28.738 -0.221 0.000 0.904 690 Q HN 0.489 nan 8.270 nan 0.000 0.422 691 A N 1.023 123.836 122.820 -0.012 0.000 1.855 691 A HA -0.094 4.240 4.320 0.023 0.000 0.215 691 A C 1.822 179.557 177.584 0.252 0.000 1.191 691 A CA 1.034 53.133 52.037 0.103 0.000 0.613 691 A CB -0.769 18.282 19.000 0.086 0.000 0.829 691 A HN 0.390 nan 8.150 nan 0.000 0.442 692 F N 0.317 120.275 119.950 0.013 0.000 2.184 692 F HA -0.207 4.324 4.527 0.006 0.000 0.301 692 F C 2.132 177.956 175.800 0.040 0.000 1.076 692 F CA 0.762 58.774 58.000 0.021 0.000 1.295 692 F CB -0.758 38.236 39.000 -0.010 0.000 1.026 692 F HN 0.163 nan 8.300 nan 0.000 0.494 693 I N -0.903 119.806 120.570 0.231 0.000 2.406 693 I HA -0.195 3.989 4.170 0.023 0.000 0.249 693 I C 2.332 178.608 176.117 0.265 0.000 1.122 693 I CA 1.003 62.407 61.300 0.173 0.000 1.431 693 I CB -0.269 37.822 38.000 0.153 0.000 1.087 693 I HN -0.013 nan 8.210 nan 0.000 0.424 694 E N 1.355 121.702 120.200 0.246 0.000 2.072 694 E HA -0.166 4.198 4.350 0.023 0.000 0.191 694 E C 2.288 179.021 176.600 0.222 0.000 0.985 694 E CA 1.224 57.780 56.400 0.259 0.000 0.801 694 E CB 0.026 29.831 29.700 0.175 0.000 0.750 694 E HN 0.150 nan 8.360 nan 0.000 0.452 695 R N -0.538 120.067 120.500 0.175 0.000 2.120 695 R HA -0.168 4.186 4.340 0.023 0.000 0.234 695 R C 2.223 178.530 176.300 0.011 0.000 1.123 695 R CA 1.298 57.462 56.100 0.107 0.000 0.975 695 R CB -0.770 29.594 30.300 0.107 0.000 0.866 695 R HN 0.382 nan 8.270 nan 0.000 0.446 696 Y N 0.563 120.810 120.300 -0.088 0.000 2.114 696 Y HA -0.217 4.345 4.550 0.020 0.000 0.284 696 Y C 1.814 177.585 175.900 -0.215 0.000 1.143 696 Y CA 1.617 59.595 58.100 -0.202 0.000 1.135 696 Y CB -0.409 37.885 38.460 -0.277 0.000 0.980 696 Y HN -0.143 nan 8.280 nan 0.000 0.499 697 F N 0.366 120.404 119.950 0.147 0.000 2.546 697 F HA -0.153 4.389 4.527 0.025 0.000 0.298 697 F C 2.184 177.939 175.800 -0.076 0.000 1.120 697 F CA 0.830 58.864 58.000 0.057 0.000 1.456 697 F CB -0.271 38.798 39.000 0.115 0.000 1.088 697 F HN 0.198 nan 8.300 nan 0.000 0.572 698 Q N -0.648 119.164 119.800 0.020 0.000 2.123 698 Q HA -0.033 4.321 4.340 0.023 0.000 0.196 698 Q C 2.364 178.203 176.000 -0.269 0.000 0.958 698 Q CA 1.235 57.004 55.803 -0.056 0.000 0.841 698 Q CB -0.617 28.125 28.738 0.008 0.000 0.915 698 Q HN 0.275 nan 8.270 nan 0.000 0.455 699 S N 0.373 115.724 115.700 -0.583 0.000 2.383 699 S HA -0.010 4.474 4.470 0.023 0.000 0.227 699 S C 0.275 174.026 174.600 -1.414 0.000 1.026 699 S CA 0.766 58.223 58.200 -1.237 0.000 0.981 699 S CB 0.006 61.992 63.200 -2.023 0.000 0.818 699 S HN 0.216 nan 8.310 nan 0.000 0.472 700 F N 0.609 120.212 119.950 -0.579 0.000 2.531 700 F HA 0.408 4.949 4.527 0.022 0.000 0.333 700 F C -2.331 173.354 175.800 -0.193 0.000 1.292 700 F CA -2.616 55.102 58.000 -0.469 0.000 1.184 700 F CB 0.830 39.404 39.000 -0.711 0.000 1.426 700 F HN -0.049 nan 8.300 nan 0.000 0.559 701 P HA -0.165 nan 4.420 nan 0.000 0.215 701 P C 1.313 178.688 177.300 0.124 0.000 1.157 701 P CA 1.611 64.758 63.100 0.079 0.000 0.868 701 P CB 0.272 31.983 31.700 0.018 0.000 0.788 702 K N -0.721 119.737 120.400 0.096 0.000 2.504 702 K HA -0.002 4.332 4.320 0.023 0.000 0.195 702 K C 1.754 178.456 176.600 0.171 0.000 1.036 702 K CA 0.462 56.814 56.287 0.109 0.000 0.984 702 K CB -0.419 32.124 32.500 0.070 0.000 0.788 702 K HN 0.044 nan 8.250 nan 0.000 0.488 703 V N 0.929 120.960 119.914 0.196 0.000 2.379 703 V HA -0.203 3.931 4.120 0.023 0.000 0.245 703 V C 2.361 178.673 176.094 0.363 0.000 1.044 703 V CA 1.505 63.961 62.300 0.259 0.000 1.036 703 V CB -0.354 31.606 31.823 0.229 0.000 0.664 703 V HN 0.289 nan 8.190 nan 0.000 0.453 704 R N 0.097 120.819 120.500 0.370 0.000 2.073 704 R HA -0.166 4.188 4.340 0.023 0.000 0.234 704 R C 2.356 178.686 176.300 0.050 0.000 1.134 704 R CA 1.691 57.872 56.100 0.136 0.000 0.952 704 R CB -0.535 29.722 30.300 -0.072 0.000 0.850 704 R HN 0.490 nan 8.270 nan 0.000 0.433 705 A N -0.047 122.824 122.820 0.086 0.000 1.948 705 A HA -0.242 4.092 4.320 0.023 0.000 0.220 705 A C 1.916 179.550 177.584 0.083 0.000 1.177 705 A CA 1.575 53.646 52.037 0.056 0.000 0.636 705 A CB -1.040 18.001 19.000 0.069 0.000 0.815 705 A HN 0.755 nan 8.150 nan 0.000 0.449 706 W N 0.417 121.707 121.300 -0.016 0.000 2.388 706 W HA -0.085 4.589 4.660 0.023 0.000 0.294 706 W C 1.752 178.249 176.519 -0.037 0.000 1.212 706 W CA 1.637 58.973 57.345 -0.015 0.000 1.271 706 W CB -0.155 29.308 29.460 0.005 0.000 1.126 706 W HN 0.292 nan 8.180 nan 0.000 0.535 707 I N 0.555 121.147 120.570 0.036 0.000 2.142 707 I HA -0.300 3.884 4.170 0.023 0.000 0.240 707 I C 2.340 178.259 176.117 -0.329 0.000 1.078 707 I CA 1.758 62.880 61.300 -0.296 0.000 1.343 707 I CB -0.684 37.095 38.000 -0.367 0.000 1.046 707 I HN -0.077 nan 8.210 nan 0.000 0.405 708 E N 1.123 121.196 120.200 -0.213 0.000 2.058 708 E HA -0.279 4.085 4.350 0.023 0.000 0.194 708 E C 2.077 178.562 176.600 -0.190 0.000 0.997 708 E CA 1.516 57.812 56.400 -0.173 0.000 0.801 708 E CB -0.225 29.400 29.700 -0.124 0.000 0.746 708 E HN 0.306 nan 8.360 nan 0.000 0.450 709 K N -0.491 119.781 120.400 -0.214 0.000 2.097 709 K HA -0.129 4.205 4.320 0.023 0.000 0.206 709 K C 1.896 178.312 176.600 -0.308 0.000 1.049 709 K CA 1.795 57.950 56.287 -0.220 0.000 0.933 709 K CB -0.193 32.199 32.500 -0.180 0.000 0.717 709 K HN 0.091 nan 8.250 nan 0.000 0.442 710 T N 1.990 116.239 114.554 -0.509 0.000 2.708 710 T HA -0.090 4.274 4.350 0.023 0.000 0.266 710 T C 1.829 176.362 174.700 -0.279 0.000 1.037 710 T CA 1.409 63.199 62.100 -0.518 0.000 1.146 710 T CB -0.141 68.187 68.868 -0.900 0.000 0.865 710 T HN 0.160 nan 8.240 nan 0.000 0.435 711 L N 0.725 121.821 121.223 -0.213 0.000 2.017 711 L HA -0.075 4.279 4.340 0.023 0.000 0.208 711 L C 2.982 179.784 176.870 -0.113 0.000 1.073 711 L CA 1.181 55.955 54.840 -0.109 0.000 0.745 711 L CB -0.546 41.477 42.059 -0.058 0.000 0.894 711 L HN 0.152 nan 8.230 nan 0.000 0.432 712 E N 0.464 120.588 120.200 -0.126 0.000 2.085 712 E HA -0.278 4.086 4.350 0.023 0.000 0.194 712 E C 2.025 178.553 176.600 -0.121 0.000 0.994 712 E CA 1.570 57.906 56.400 -0.108 0.000 0.801 712 E CB 0.097 29.736 29.700 -0.102 0.000 0.743 712 E HN 0.437 nan 8.360 nan 0.000 0.453 713 E N -0.714 119.396 120.200 -0.150 0.000 2.106 713 E HA -0.090 4.274 4.350 0.023 0.000 0.192 713 E C 1.982 178.458 176.600 -0.208 0.000 0.984 713 E CA 1.320 57.618 56.400 -0.170 0.000 0.806 713 E CB -0.495 29.099 29.700 -0.176 0.000 0.750 713 E HN 0.274 nan 8.360 nan 0.000 0.458 714 G N 0.381 109.069 108.800 -0.187 0.000 2.422 714 G HA2 -0.271 3.703 3.960 0.023 0.000 0.218 714 G HA3 -0.271 3.703 3.960 0.023 0.000 0.218 714 G C 1.582 176.395 174.900 -0.144 0.000 1.146 714 G CA 0.703 45.694 45.100 -0.182 0.000 0.769 714 G HN 0.157 nan 8.290 nan 0.000 0.547 715 R N -0.160 120.276 120.500 -0.107 0.000 2.073 715 R HA 0.028 4.382 4.340 0.023 0.000 0.234 715 R C 2.781 179.028 176.300 -0.087 0.000 1.134 715 R CA 1.009 57.064 56.100 -0.076 0.000 0.952 715 R CB -0.299 29.965 30.300 -0.059 0.000 0.850 715 R HN 0.248 nan 8.270 nan 0.000 0.433 716 R N 0.452 120.885 120.500 -0.112 0.000 2.097 716 R HA -0.130 4.224 4.340 0.023 0.000 0.236 716 R C 2.253 178.470 176.300 -0.138 0.000 1.135 716 R CA 1.796 57.829 56.100 -0.112 0.000 0.934 716 R CB -0.106 30.120 30.300 -0.122 0.000 0.846 716 R HN 0.237 nan 8.270 nan 0.000 0.431 717 R N -1.590 118.761 120.500 -0.248 0.000 2.223 717 R HA 0.130 4.484 4.340 0.023 0.000 0.198 717 R C 1.293 177.425 176.300 -0.280 0.000 0.984 717 R CA 0.664 56.549 56.100 -0.359 0.000 1.018 717 R CB 0.648 30.485 30.300 -0.771 0.000 0.945 717 R HN 0.509 nan 8.270 nan 0.000 0.479 718 G N 0.880 109.558 108.800 -0.204 0.000 2.175 718 G HA2 -0.301 3.673 3.960 0.023 0.000 0.244 718 G HA3 -0.301 3.673 3.960 0.023 0.000 0.244 718 G C -0.108 174.799 174.900 0.012 0.000 0.982 718 G CA 0.605 45.703 45.100 -0.005 0.000 0.641 718 G HN 0.464 nan 8.290 nan 0.000 0.527 719 Y N -1.375 118.812 120.300 -0.188 0.000 2.615 719 Y HA 0.801 5.365 4.550 0.023 0.000 0.341 719 Y C -0.074 175.694 175.900 -0.220 0.000 1.089 719 Y CA -1.372 56.515 58.100 -0.354 0.000 1.049 719 Y CB 1.081 39.008 38.460 -0.889 0.000 1.296 719 Y HN 0.867 nan 8.280 nan 0.000 0.470 720 V N -1.016 118.925 119.914 0.045 0.000 3.103 720 V HA 0.929 5.063 4.120 0.023 0.000 0.318 720 V C -0.918 175.252 176.094 0.126 0.000 1.114 720 V CA -0.925 61.400 62.300 0.042 0.000 1.020 720 V CB 1.770 33.592 31.823 -0.002 0.000 1.085 720 V HN 1.125 nan 8.190 nan 0.000 0.446 721 E N 0.001 120.266 120.200 0.108 0.000 2.413 721 E HA 0.576 4.940 4.350 0.023 0.000 0.277 721 E C -0.671 175.989 176.600 0.101 0.000 0.958 721 E CA -0.606 55.852 56.400 0.096 0.000 0.779 721 E CB 2.015 31.786 29.700 0.119 0.000 1.278 721 E HN 0.951 nan 8.360 nan 0.000 0.456 722 T N -0.623 113.975 114.554 0.075 0.000 2.754 722 T HA 0.112 4.476 4.350 0.023 0.000 0.286 722 T C 1.181 175.909 174.700 0.046 0.000 0.997 722 T CA -0.573 61.559 62.100 0.053 0.000 0.982 722 T CB 0.708 69.581 68.868 0.008 0.000 1.027 722 T HN 0.526 nan 8.240 nan 0.000 0.529 723 L N -0.293 120.903 121.223 -0.044 0.000 2.129 723 L HA 0.035 4.389 4.340 0.023 0.000 0.212 723 L C 1.677 178.580 176.870 0.055 0.000 1.087 723 L CA 1.839 56.648 54.840 -0.051 0.000 0.757 723 L CB -0.974 40.941 42.059 -0.240 0.000 0.896 723 L HN 0.684 nan 8.230 nan 0.000 0.434 724 F N -0.112 119.802 119.950 -0.060 0.000 2.776 724 F HA 0.386 4.928 4.527 0.024 0.000 0.300 724 F C 2.013 177.793 175.800 -0.034 0.000 1.116 724 F CA 0.083 58.023 58.000 -0.101 0.000 1.375 724 F CB -0.506 38.456 39.000 -0.062 0.000 1.109 724 F HN 0.229 nan 8.300 nan 0.000 0.585 725 G N 0.495 109.394 108.800 0.165 0.000 2.179 725 G HA2 -0.283 3.691 3.960 0.023 0.000 0.220 725 G HA3 -0.283 3.691 3.960 0.023 0.000 0.220 725 G C 0.635 175.570 174.900 0.058 0.000 0.990 725 G CA -0.172 44.985 45.100 0.095 0.000 0.646 725 G HN 0.342 nan 8.290 nan 0.000 0.517 726 R N 0.791 121.343 120.500 0.086 0.000 2.585 726 R HA 0.417 4.771 4.340 0.023 0.000 0.275 726 R C 0.278 176.559 176.300 -0.033 0.000 1.018 726 R CA 0.226 56.345 56.100 0.031 0.000 1.072 726 R CB 0.213 30.548 30.300 0.059 0.000 0.953 726 R HN 0.383 nan 8.270 nan 0.000 0.419 727 R N 2.963 123.396 120.500 -0.112 0.000 2.637 727 R HA 0.375 4.729 4.340 0.023 0.000 0.291 727 R C -0.555 175.656 176.300 -0.149 0.000 0.963 727 R CA -0.889 55.092 56.100 -0.199 0.000 0.901 727 R CB 2.049 32.059 30.300 -0.482 0.000 1.160 727 R HN 0.515 nan 8.270 nan 0.000 0.457 728 R N 2.572 123.002 120.500 -0.116 0.000 2.513 728 R HA 0.258 4.612 4.340 0.023 0.000 0.301 728 R C -1.356 174.919 176.300 -0.040 0.000 0.968 728 R CA -0.600 55.481 56.100 -0.031 0.000 0.872 728 R CB 1.038 31.341 30.300 0.004 0.000 1.177 728 R HN 0.575 nan 8.270 nan 0.000 0.444 729 Y N 3.042 123.376 120.300 0.056 0.000 2.336 729 Y HA 0.242 4.806 4.550 0.024 0.000 0.335 729 Y C 0.130 176.063 175.900 0.054 0.000 1.046 729 Y CA -0.376 57.780 58.100 0.093 0.000 1.198 729 Y CB 1.708 40.211 38.460 0.071 0.000 1.182 729 Y HN 0.199 nan 8.280 nan 0.000 0.502 730 V N 6.475 126.480 119.914 0.152 0.000 2.266 730 V HA 0.164 4.298 4.120 0.023 0.000 0.266 730 V C -2.066 174.072 176.094 0.075 0.000 1.036 730 V CA -1.466 60.886 62.300 0.086 0.000 0.828 730 V CB 0.896 32.741 31.823 0.037 0.000 1.081 730 V HN 0.656 nan 8.190 nan 0.000 0.449 731 P HA -0.080 nan 4.420 nan 0.000 0.217 731 P C 0.919 178.241 177.300 0.036 0.000 1.150 731 P CA 1.083 64.222 63.100 0.064 0.000 0.832 731 P CB 0.288 32.021 31.700 0.056 0.000 0.787 732 D N -0.948 119.470 120.400 0.030 0.000 2.392 732 D HA -0.022 4.632 4.640 0.023 0.000 0.228 732 D C 1.696 178.004 176.300 0.015 0.000 1.003 732 D CA 0.368 54.380 54.000 0.019 0.000 0.917 732 D CB -0.525 40.285 40.800 0.017 0.000 0.890 732 D HN 0.221 nan 8.370 nan 0.000 0.532 733 L N 0.443 121.674 121.223 0.013 0.000 2.261 733 L HA -0.126 4.228 4.340 0.023 0.000 0.216 733 L C 1.427 178.298 176.870 0.002 0.000 1.114 733 L CA 1.120 55.963 54.840 0.006 0.000 0.777 733 L CB -0.137 41.919 42.059 -0.005 0.000 0.910 733 L HN 0.025 nan 8.230 nan 0.000 0.440 734 E N -0.134 120.068 120.200 0.003 0.000 2.624 734 E HA 0.263 4.627 4.350 0.023 0.000 0.210 734 E C 0.475 177.077 176.600 0.002 0.000 0.997 734 E CA -0.207 56.193 56.400 -0.000 0.000 0.999 734 E CB 0.607 30.305 29.700 -0.003 0.000 1.040 734 E HN 0.288 nan 8.360 nan 0.000 0.469 735 A N 1.614 124.437 122.820 0.006 0.000 2.466 735 A HA 0.085 4.419 4.320 0.023 0.000 0.238 735 A C 1.075 178.662 177.584 0.004 0.000 1.074 735 A CA -0.044 51.996 52.037 0.006 0.000 0.774 735 A CB 0.381 19.385 19.000 0.008 0.000 1.015 735 A HN 0.082 nan 8.150 nan 0.000 0.498 736 R N 0.850 121.352 120.500 0.003 0.000 2.334 736 R HA 0.147 4.501 4.340 0.023 0.000 0.216 736 R C -0.520 175.781 176.300 0.002 0.000 0.905 736 R CA 0.192 56.293 56.100 0.002 0.000 1.064 736 R CB -0.398 29.902 30.300 0.000 0.000 1.046 736 R HN 0.412 nan 8.270 nan 0.000 0.508 737 V N 1.917 121.833 119.914 0.004 0.000 2.350 737 V HA 0.156 4.290 4.120 0.023 0.000 0.276 737 V C 1.569 177.667 176.094 0.007 0.000 1.028 737 V CA -0.551 61.751 62.300 0.005 0.000 0.860 737 V CB 1.945 33.771 31.823 0.004 0.000 0.990 737 V HN 0.086 nan 8.190 nan 0.000 0.453 738 K N 3.485 123.890 120.400 0.008 0.000 2.044 738 K HA -0.206 4.128 4.320 0.023 0.000 0.210 738 K C 2.243 178.853 176.600 0.016 0.000 1.049 738 K CA 2.223 58.517 56.287 0.012 0.000 0.927 738 K CB -0.076 32.431 32.500 0.012 0.000 0.713 738 K HN 0.833 nan 8.250 nan 0.000 0.443 739 S N -0.136 115.573 115.700 0.014 0.000 2.370 739 S HA -0.132 4.352 4.470 0.023 0.000 0.226 739 S C 2.033 176.643 174.600 0.017 0.000 1.033 739 S CA 1.531 59.741 58.200 0.016 0.000 1.011 739 S CB -0.649 62.557 63.200 0.011 0.000 0.852 739 S HN 0.144 nan 8.310 nan 0.000 0.457 740 V N 2.294 122.216 119.914 0.013 0.000 2.358 740 V HA -0.073 4.061 4.120 0.023 0.000 0.246 740 V C 2.933 179.036 176.094 0.015 0.000 1.047 740 V CA 2.033 64.340 62.300 0.012 0.000 1.035 740 V CB -0.878 30.950 31.823 0.009 0.000 0.658 740 V HN 0.534 nan 8.190 nan 0.000 0.452 741 R N 0.219 120.729 120.500 0.016 0.000 2.073 741 R HA -0.184 4.170 4.340 0.023 0.000 0.234 741 R C 2.263 178.580 176.300 0.028 0.000 1.134 741 R CA 1.989 58.100 56.100 0.019 0.000 0.952 741 R CB -0.184 30.125 30.300 0.016 0.000 0.850 741 R HN 0.601 nan 8.270 nan 0.000 0.433 742 E N -0.201 120.020 120.200 0.035 0.000 2.152 742 E HA -0.127 4.237 4.350 0.023 0.000 0.192 742 E C 1.936 178.567 176.600 0.052 0.000 0.983 742 E CA 0.859 57.292 56.400 0.055 0.000 0.818 742 E CB -0.040 29.696 29.700 0.059 0.000 0.758 742 E HN 0.470 nan 8.360 nan 0.000 0.467 743 A N 1.661 124.499 122.820 0.031 0.000 1.908 743 A HA -0.165 4.169 4.320 0.023 0.000 0.218 743 A C 2.411 179.993 177.584 -0.003 0.000 1.181 743 A CA 1.754 53.800 52.037 0.014 0.000 0.627 743 A CB -0.639 18.366 19.000 0.009 0.000 0.818 743 A HN 0.297 nan 8.150 nan 0.000 0.445 744 A N -0.311 122.513 122.820 0.006 0.000 1.933 744 A HA -0.170 4.164 4.320 0.023 0.000 0.218 744 A C 1.905 179.487 177.584 -0.003 0.000 1.175 744 A CA 1.657 53.695 52.037 0.001 0.000 0.628 744 A CB -0.509 18.498 19.000 0.012 0.000 0.814 744 A HN 0.654 nan 8.150 nan 0.000 0.444 745 E N -0.473 119.745 120.200 0.029 0.000 2.077 745 E HA -0.185 4.179 4.350 0.023 0.000 0.193 745 E C 2.337 178.933 176.600 -0.006 0.000 0.989 745 E CA 1.105 57.557 56.400 0.087 0.000 0.800 745 E CB -0.164 29.631 29.700 0.158 0.000 0.746 745 E HN 0.552 nan 8.360 nan 0.000 0.452 746 R N 0.254 120.688 120.500 -0.110 0.000 2.073 746 R HA -0.085 4.269 4.340 0.023 0.000 0.234 746 R C 2.421 178.419 176.300 -0.504 0.000 1.134 746 R CA 1.498 57.322 56.100 -0.461 0.000 0.952 746 R CB -0.267 29.933 30.300 -0.167 0.000 0.850 746 R HN 0.207 nan 8.270 nan 0.000 0.433 747 M N 0.139 119.605 119.600 -0.223 0.000 2.149 747 M HA -0.143 4.351 4.480 0.023 0.000 0.261 747 M C 2.516 178.737 176.300 -0.132 0.000 1.064 747 M CA 1.750 56.962 55.300 -0.147 0.000 1.102 747 M CB -0.345 32.215 32.600 -0.068 0.000 1.369 747 M HN 0.248 nan 8.290 nan 0.000 0.408 748 A N 0.863 123.614 122.820 -0.114 0.000 1.855 748 A HA -0.146 4.188 4.320 0.023 0.000 0.215 748 A C 1.856 179.447 177.584 0.013 0.000 1.191 748 A CA 1.610 53.627 52.037 -0.033 0.000 0.613 748 A CB -0.925 18.078 19.000 0.006 0.000 0.829 748 A HN 0.632 nan 8.150 nan 0.000 0.442 749 F N 0.471 120.441 119.950 0.033 0.000 2.615 749 F HA 0.142 4.682 4.527 0.023 0.000 0.297 749 F C 1.421 177.367 175.800 0.243 0.000 1.124 749 F CA 0.817 58.857 58.000 0.066 0.000 1.451 749 F CB -0.960 38.049 39.000 0.016 0.000 1.103 749 F HN 0.253 nan 8.300 nan 0.000 0.569 750 N N 0.347 118.967 118.700 -0.132 0.000 2.270 750 N HA -0.186 4.568 4.740 0.023 0.000 0.181 750 N C 1.972 177.552 175.510 0.116 0.000 1.016 750 N CA 1.301 54.374 53.050 0.038 0.000 0.870 750 N CB -0.236 38.208 38.487 -0.072 0.000 0.979 750 N HN 0.304 nan 8.380 nan 0.000 0.431 751 M N 0.858 120.505 119.600 0.078 0.000 2.065 751 M HA -0.045 4.449 4.480 0.023 0.000 0.259 751 M C -1.078 175.293 176.300 0.118 0.000 1.069 751 M CA 1.691 57.036 55.300 0.076 0.000 1.110 751 M CB -1.624 31.004 32.600 0.047 0.000 1.328 751 M HN 0.056 nan 8.290 nan 0.000 0.405 752 P HA -0.091 nan 4.420 nan 0.000 0.218 752 P C 1.806 179.198 177.300 0.154 0.000 1.148 752 P CA 1.098 64.331 63.100 0.222 0.000 0.822 752 P CB -0.099 31.863 31.700 0.436 0.000 0.784 753 V N -0.291 119.726 119.914 0.170 0.000 2.283 753 V HA -0.223 3.911 4.120 0.023 0.000 0.243 753 V C 2.688 178.788 176.094 0.010 0.000 1.039 753 V CA 1.799 64.126 62.300 0.045 0.000 1.016 753 V CB -1.247 30.612 31.823 0.059 0.000 0.650 753 V HN 0.129 nan 8.190 nan 0.000 0.449 754 Q N 0.082 119.906 119.800 0.040 0.000 2.119 754 Q HA -0.131 4.223 4.340 0.023 0.000 0.201 754 Q C 2.150 178.153 176.000 0.005 0.000 0.972 754 Q CA 1.810 57.622 55.803 0.015 0.000 0.847 754 Q CB -0.340 28.413 28.738 0.026 0.000 0.903 754 Q HN 0.662 nan 8.270 nan 0.000 0.433 755 G N -0.763 108.048 108.800 0.018 0.000 2.408 755 G HA2 -0.156 3.818 3.960 0.023 0.000 0.215 755 G HA3 -0.156 3.818 3.960 0.023 0.000 0.215 755 G C 1.304 176.186 174.900 -0.029 0.000 1.156 755 G CA 1.019 46.129 45.100 0.017 0.000 0.793 755 G HN 0.319 nan 8.290 nan 0.000 0.535 756 T N 1.694 116.202 114.554 -0.077 0.000 2.777 756 T HA 0.044 4.408 4.350 0.023 0.000 0.266 756 T C 2.825 177.395 174.700 -0.217 0.000 1.040 756 T CA 1.355 63.333 62.100 -0.203 0.000 1.141 756 T CB -0.305 68.432 68.868 -0.219 0.000 0.868 756 T HN 0.334 nan 8.240 nan 0.000 0.444 757 A N 1.413 124.140 122.820 -0.155 0.000 1.933 757 A HA 0.134 4.468 4.320 0.023 0.000 0.218 757 A C 2.605 180.129 177.584 -0.099 0.000 1.175 757 A CA 1.818 53.758 52.037 -0.162 0.000 0.628 757 A CB -1.001 17.927 19.000 -0.121 0.000 0.814 757 A HN 0.506 nan 8.150 nan 0.000 0.444 758 A N 0.089 122.890 122.820 -0.032 0.000 1.898 758 A HA -0.154 4.180 4.320 0.023 0.000 0.216 758 A C 1.770 179.378 177.584 0.040 0.000 1.181 758 A CA 1.777 53.835 52.037 0.034 0.000 0.620 758 A CB -0.530 18.514 19.000 0.073 0.000 0.819 758 A HN 0.460 nan 8.150 nan 0.000 0.442 759 D N 0.250 120.660 120.400 0.017 0.000 2.097 759 D HA -0.130 4.524 4.640 0.023 0.000 0.195 759 D C 1.964 178.319 176.300 0.092 0.000 0.989 759 D CA 1.111 55.166 54.000 0.093 0.000 0.827 759 D CB -0.439 40.402 40.800 0.068 0.000 0.966 759 D HN 0.443 nan 8.370 nan 0.000 0.456 760 L N -0.021 121.161 121.223 -0.067 0.000 2.042 760 L HA -0.198 4.156 4.340 0.023 0.000 0.210 760 L C 2.438 179.319 176.870 0.018 0.000 1.076 760 L CA 0.916 55.721 54.840 -0.059 0.000 0.749 760 L CB -0.327 41.585 42.059 -0.245 0.000 0.893 760 L HN 0.065 nan 8.230 nan 0.000 0.432 761 M N 0.005 119.607 119.600 0.003 0.000 2.132 761 M HA -0.165 4.329 4.480 0.023 0.000 0.263 761 M C 2.135 178.501 176.300 0.110 0.000 1.065 761 M CA 1.809 57.178 55.300 0.115 0.000 1.122 761 M CB -0.263 32.411 32.600 0.123 0.000 1.365 761 M HN -0.065 nan 8.290 nan 0.000 0.411 762 K N -0.273 120.179 120.400 0.086 0.000 2.009 762 K HA -0.190 4.144 4.320 0.023 0.000 0.210 762 K C 1.928 178.571 176.600 0.071 0.000 1.049 762 K CA 1.738 58.065 56.287 0.066 0.000 0.929 762 K CB -0.832 31.714 32.500 0.076 0.000 0.714 762 K HN 0.325 nan 8.250 nan 0.000 0.440 763 L N 1.197 122.490 121.223 0.116 0.000 2.079 763 L HA -0.146 4.208 4.340 0.023 0.000 0.210 763 L C 2.161 179.102 176.870 0.119 0.000 1.081 763 L CA 1.875 56.788 54.840 0.121 0.000 0.752 763 L CB -0.782 41.412 42.059 0.225 0.000 0.896 763 L HN 0.153 nan 8.230 nan 0.000 0.433 764 A N -0.748 122.160 122.820 0.146 0.000 1.933 764 A HA -0.225 4.109 4.320 0.023 0.000 0.218 764 A C 2.256 179.905 177.584 0.108 0.000 1.175 764 A CA 2.077 54.207 52.037 0.154 0.000 0.628 764 A CB -0.524 18.614 19.000 0.231 0.000 0.814 764 A HN 0.547 nan 8.150 nan 0.000 0.444 765 M N -0.871 118.780 119.600 0.085 0.000 2.117 765 M HA -0.126 4.368 4.480 0.023 0.000 0.262 765 M C 2.101 178.443 176.300 0.070 0.000 1.065 765 M CA 1.340 56.676 55.300 0.059 0.000 1.114 765 M CB -0.505 32.097 32.600 0.004 0.000 1.361 765 M HN 0.232 nan 8.290 nan 0.000 0.408 766 V N 0.911 120.848 119.914 0.040 0.000 2.287 766 V HA -0.298 3.837 4.120 0.023 0.000 0.248 766 V C 2.243 178.378 176.094 0.068 0.000 1.053 766 V CA 1.917 64.232 62.300 0.025 0.000 1.027 766 V CB -0.682 31.127 31.823 -0.023 0.000 0.646 766 V HN 0.464 nan 8.190 nan 0.000 0.447 767 K N -0.559 119.883 120.400 0.070 0.000 2.097 767 K HA -0.125 4.209 4.320 0.023 0.000 0.205 767 K C 2.040 178.684 176.600 0.073 0.000 1.050 767 K CA 1.169 57.498 56.287 0.071 0.000 0.938 767 K CB -0.278 32.270 32.500 0.080 0.000 0.718 767 K HN 0.271 nan 8.250 nan 0.000 0.442 768 L N 0.485 121.759 121.223 0.084 0.000 2.131 768 L HA -0.011 4.343 4.340 0.023 0.000 0.206 768 L C 1.941 178.850 176.870 0.064 0.000 1.087 768 L CA 1.197 56.073 54.840 0.060 0.000 0.767 768 L CB -0.481 41.609 42.059 0.052 0.000 0.917 768 L HN 0.029 nan 8.230 nan 0.000 0.441 769 F N 1.537 121.470 119.950 -0.028 0.000 2.069 769 F HA -0.142 4.399 4.527 0.023 0.000 0.298 769 F C -0.551 175.221 175.800 -0.048 0.000 1.113 769 F CA 1.904 59.879 58.000 -0.042 0.000 1.214 769 F CB -1.566 37.407 39.000 -0.045 0.000 0.978 769 F HN 0.167 nan 8.300 nan 0.000 0.474 770 P HA -0.164 nan 4.420 nan 0.000 0.216 770 P C 1.283 178.491 177.300 -0.153 0.000 1.150 770 P CA 1.545 64.598 63.100 -0.078 0.000 0.837 770 P CB -0.172 31.542 31.700 0.024 0.000 0.786 771 R N -0.532 119.905 120.500 -0.106 0.000 2.115 771 R HA 0.030 4.384 4.340 0.023 0.000 0.230 771 R C 2.332 178.546 176.300 -0.143 0.000 1.111 771 R CA 0.935 56.976 56.100 -0.098 0.000 0.976 771 R CB -1.644 28.623 30.300 -0.054 0.000 0.870 771 R HN 0.327 nan 8.270 nan 0.000 0.445 772 L N 0.720 121.819 121.223 -0.206 0.000 2.056 772 L HA -0.117 4.237 4.340 0.023 0.000 0.207 772 L C 2.312 179.031 176.870 -0.252 0.000 1.078 772 L CA 1.287 55.997 54.840 -0.216 0.000 0.749 772 L CB -0.455 41.461 42.059 -0.240 0.000 0.901 772 L HN 0.210 nan 8.230 nan 0.000 0.433 773 E N 0.422 120.390 120.200 -0.387 0.000 2.058 773 E HA -0.283 4.081 4.350 0.023 0.000 0.194 773 E C 2.016 178.508 176.600 -0.180 0.000 0.997 773 E CA 1.749 57.956 56.400 -0.322 0.000 0.801 773 E CB -0.120 29.347 29.700 -0.388 0.000 0.746 773 E HN 0.625 nan 8.360 nan 0.000 0.450 774 E N 0.610 120.717 120.200 -0.154 0.000 2.150 774 E HA -0.183 4.181 4.350 0.023 0.000 0.193 774 E C 1.819 178.362 176.600 -0.094 0.000 0.985 774 E CA 1.050 57.388 56.400 -0.103 0.000 0.814 774 E CB -0.205 29.444 29.700 -0.084 0.000 0.752 774 E HN 0.288 nan 8.360 nan 0.000 0.466 775 M N 0.299 119.837 119.600 -0.104 0.000 2.561 775 M HA 0.178 4.672 4.480 0.023 0.000 0.238 775 M C 0.922 177.158 176.300 -0.106 0.000 1.131 775 M CA 0.699 55.940 55.300 -0.099 0.000 1.046 775 M CB 0.600 33.143 32.600 -0.096 0.000 1.532 775 M HN 0.347 nan 8.290 nan 0.000 0.497 776 G N 1.755 110.499 108.800 -0.093 0.000 2.256 776 G HA2 -0.121 3.853 3.960 0.023 0.000 0.272 776 G HA3 -0.121 3.853 3.960 0.023 0.000 0.272 776 G C -0.121 174.770 174.900 -0.016 0.000 1.076 776 G CA 0.178 45.243 45.100 -0.058 0.000 0.882 776 G HN 0.676 nan 8.290 nan 0.000 0.497 777 A N -0.675 122.139 122.820 -0.010 0.000 2.346 777 A HA 0.996 5.330 4.320 0.023 0.000 0.313 777 A C 0.223 177.859 177.584 0.085 0.000 1.140 777 A CA -0.803 51.289 52.037 0.091 0.000 0.826 777 A CB 1.265 20.266 19.000 0.001 0.000 1.332 777 A HN 0.534 nan 8.150 nan 0.000 0.457 778 R N 0.029 120.619 120.500 0.151 0.000 2.534 778 R HA 0.480 4.834 4.340 0.023 0.000 0.301 778 R C -0.846 175.479 176.300 0.043 0.000 0.961 778 R CA -0.398 55.740 56.100 0.062 0.000 0.871 778 R CB 2.085 32.397 30.300 0.021 0.000 1.170 778 R HN 0.796 nan 8.270 nan 0.000 0.446 779 M N 4.254 123.895 119.600 0.068 0.000 2.146 779 M HA 0.206 4.700 4.480 0.023 0.000 0.357 779 M C -0.197 176.125 176.300 0.036 0.000 1.261 779 M CA 0.021 55.359 55.300 0.064 0.000 1.106 779 M CB 0.682 33.374 32.600 0.153 0.000 1.612 779 M HN 0.678 nan 8.290 nan 0.000 0.470 780 L N 4.694 125.901 121.223 -0.026 0.000 2.453 780 L HA 0.372 4.726 4.340 0.023 0.000 0.190 780 L C -0.243 176.625 176.870 -0.002 0.000 1.093 780 L CA 0.260 55.080 54.840 -0.033 0.000 0.834 780 L CB 0.215 42.213 42.059 -0.101 0.000 1.090 780 L HN 0.577 nan 8.230 nan 0.000 0.489 781 L N -0.369 120.806 121.223 -0.079 0.000 2.393 781 L HA 0.476 4.830 4.340 0.023 0.000 0.260 781 L C -0.896 175.905 176.870 -0.114 0.000 1.002 781 L CA -0.487 54.351 54.840 -0.004 0.000 0.818 781 L CB 2.233 44.240 42.059 -0.087 0.000 1.369 781 L HN -0.017 nan 8.230 nan 0.000 0.412 782 Q N 1.656 121.373 119.800 -0.139 0.000 2.340 782 Q HA 0.473 4.827 4.340 0.023 0.000 0.268 782 Q C -1.660 174.330 176.000 -0.015 0.000 1.031 782 Q CA -0.474 55.254 55.803 -0.124 0.000 0.804 782 Q CB 2.574 31.152 28.738 -0.266 0.000 1.286 782 Q HN 0.525 nan 8.270 nan 0.000 0.448 783 V N 6.476 126.379 119.914 -0.018 0.000 2.446 783 V HA 0.228 4.362 4.120 0.023 0.000 0.257 783 V C 0.256 176.286 176.094 -0.106 0.000 1.036 783 V CA -0.312 61.914 62.300 -0.123 0.000 1.196 783 V CB -0.461 31.415 31.823 0.089 0.000 1.446 783 V HN 0.924 nan 8.190 nan 0.000 0.558 784 H N 1.817 120.959 119.070 0.120 0.000 4.905 784 H HA -0.216 4.354 4.556 0.023 0.000 0.065 784 H C 1.271 176.660 175.328 0.102 0.000 0.584 784 H CA 2.243 58.349 56.048 0.097 0.000 0.984 784 H CB -0.962 28.849 29.762 0.082 0.000 0.446 784 H HN 0.821 nan 8.280 nan 0.000 0.786 785 D N 1.722 122.268 120.400 0.243 0.000 2.527 785 D HA 0.234 4.888 4.640 0.023 0.000 0.224 785 D C 0.108 176.552 176.300 0.240 0.000 1.217 785 D CA 0.125 54.275 54.000 0.251 0.000 0.819 785 D CB 0.616 41.539 40.800 0.206 0.000 1.061 785 D HN 0.533 nan 8.370 nan 0.000 0.515 786 E N -0.174 120.123 120.200 0.162 0.000 2.312 786 E HA 0.603 4.967 4.350 0.023 0.000 0.267 786 E C -1.371 175.265 176.600 0.060 0.000 0.894 786 E CA -1.088 55.377 56.400 0.109 0.000 0.773 786 E CB 2.452 32.239 29.700 0.144 0.000 1.241 786 E HN -0.108 nan 8.360 nan 0.000 0.432 787 L N 1.527 122.758 121.223 0.012 0.000 2.386 787 L HA 0.470 4.824 4.340 0.023 0.000 0.271 787 L C -1.315 175.520 176.870 -0.057 0.000 0.993 787 L CA -0.882 53.938 54.840 -0.032 0.000 0.819 787 L CB 2.205 44.239 42.059 -0.042 0.000 1.294 787 L HN 0.365 nan 8.230 nan 0.000 0.414 788 V N 5.092 124.933 119.914 -0.122 0.000 2.409 788 V HA 0.561 4.695 4.120 0.023 0.000 0.291 788 V C -0.125 175.881 176.094 -0.146 0.000 1.020 788 V CA -0.545 61.633 62.300 -0.202 0.000 0.848 788 V CB 1.656 33.188 31.823 -0.485 0.000 0.990 788 V HN 0.534 nan 8.190 nan 0.000 0.430 789 L N 3.403 124.571 121.223 -0.093 0.000 2.303 789 L HA 0.730 5.084 4.340 0.023 0.000 0.266 789 L C -0.251 176.617 176.870 -0.003 0.000 1.011 789 L CA -0.722 54.096 54.840 -0.037 0.000 0.818 789 L CB 2.144 44.195 42.059 -0.014 0.000 1.326 789 L HN 0.552 nan 8.230 nan 0.000 0.435 790 E N 0.554 120.794 120.200 0.068 0.000 2.199 790 E HA 0.717 5.081 4.350 0.023 0.000 0.265 790 E C -1.587 175.273 176.600 0.434 0.000 0.882 790 E CA -0.564 55.951 56.400 0.192 0.000 0.759 790 E CB 2.171 31.914 29.700 0.071 0.000 1.148 790 E HN 0.689 nan 8.360 nan 0.000 0.412 791 A N 4.743 127.809 122.820 0.411 0.000 2.475 791 A HA 0.649 4.983 4.320 0.023 0.000 0.301 791 A C -2.744 174.655 177.584 -0.309 0.000 1.059 791 A CA -1.788 50.294 52.037 0.074 0.000 0.710 791 A CB 1.444 20.423 19.000 -0.034 0.000 1.288 791 A HN 0.428 nan 8.150 nan 0.000 0.408 792 P HA 0.060 nan 4.420 nan 0.000 0.265 792 P C 0.545 177.581 177.300 -0.440 0.000 1.193 792 P CA 0.175 62.647 63.100 -1.045 0.000 0.765 792 P CB 0.518 31.675 31.700 -0.905 0.000 0.823 793 K N 2.888 123.110 120.400 -0.296 0.000 2.107 793 K HA -0.260 4.074 4.320 0.023 0.000 0.211 793 K C 1.775 178.293 176.600 -0.137 0.000 1.049 793 K CA 1.904 58.105 56.287 -0.144 0.000 0.927 793 K CB -0.117 32.330 32.500 -0.089 0.000 0.714 793 K HN 0.634 nan 8.250 nan 0.000 0.452 794 E N 0.725 120.826 120.200 -0.165 0.000 2.150 794 E HA -0.200 4.164 4.350 0.023 0.000 0.193 794 E C 1.457 177.981 176.600 -0.127 0.000 0.985 794 E CA 1.216 57.539 56.400 -0.129 0.000 0.814 794 E CB -0.119 29.505 29.700 -0.127 0.000 0.752 794 E HN 0.354 nan 8.360 nan 0.000 0.466 795 R N 0.155 120.556 120.500 -0.166 0.000 2.362 795 R HA 0.344 4.698 4.340 0.023 0.000 0.227 795 R C 2.209 178.440 176.300 -0.115 0.000 0.905 795 R CA 0.472 56.487 56.100 -0.142 0.000 1.067 795 R CB 0.201 30.398 30.300 -0.172 0.000 1.078 795 R HN 0.180 nan 8.270 nan 0.000 0.516 796 A N 1.827 124.580 122.820 -0.111 0.000 1.892 796 A HA -0.219 4.115 4.320 0.023 0.000 0.218 796 A C 1.960 179.513 177.584 -0.051 0.000 1.188 796 A CA 1.388 53.382 52.037 -0.071 0.000 0.631 796 A CB -0.216 18.754 19.000 -0.050 0.000 0.822 796 A HN 0.143 nan 8.150 nan 0.000 0.447 797 E N -0.337 119.834 120.200 -0.049 0.000 2.058 797 E HA -0.170 4.194 4.350 0.023 0.000 0.194 797 E C 2.400 178.976 176.600 -0.040 0.000 0.997 797 E CA 1.319 57.696 56.400 -0.038 0.000 0.801 797 E CB -0.477 29.202 29.700 -0.035 0.000 0.746 797 E HN 0.554 nan 8.360 nan 0.000 0.450 798 A N 0.698 123.489 122.820 -0.049 0.000 1.933 798 A HA -0.129 4.205 4.320 0.023 0.000 0.218 798 A C 2.580 180.135 177.584 -0.048 0.000 1.175 798 A CA 1.348 53.356 52.037 -0.048 0.000 0.628 798 A CB -0.577 18.389 19.000 -0.056 0.000 0.814 798 A HN 0.144 nan 8.150 nan 0.000 0.444 799 V N -0.176 119.706 119.914 -0.054 0.000 2.295 799 V HA -0.247 3.887 4.120 0.023 0.000 0.246 799 V C 3.068 179.137 176.094 -0.040 0.000 1.049 799 V CA 1.895 64.165 62.300 -0.050 0.000 1.024 799 V CB -1.207 30.585 31.823 -0.052 0.000 0.648 799 V HN 0.618 nan 8.190 nan 0.000 0.447 800 A N 0.037 122.835 122.820 -0.036 0.000 1.883 800 A HA -0.285 4.049 4.320 0.023 0.000 0.217 800 A C 2.428 179.993 177.584 -0.032 0.000 1.186 800 A CA 2.202 54.220 52.037 -0.032 0.000 0.624 800 A CB -0.625 18.360 19.000 -0.025 0.000 0.822 800 A HN 0.476 nan 8.150 nan 0.000 0.444 801 R N -0.623 119.859 120.500 -0.030 0.000 2.080 801 R HA -0.161 4.193 4.340 0.023 0.000 0.236 801 R C 2.174 178.458 176.300 -0.027 0.000 1.137 801 R CA 1.948 58.033 56.100 -0.026 0.000 0.943 801 R CB -0.568 29.718 30.300 -0.024 0.000 0.846 801 R HN 0.477 nan 8.270 nan 0.000 0.431 802 L N 0.834 122.039 121.223 -0.029 0.000 1.976 802 L HA -0.111 4.243 4.340 0.023 0.000 0.209 802 L C 2.474 179.328 176.870 -0.026 0.000 1.071 802 L CA 2.329 57.153 54.840 -0.027 0.000 0.746 802 L CB -0.649 41.391 42.059 -0.033 0.000 0.890 802 L HN 0.279 nan 8.230 nan 0.000 0.432 803 A N -0.399 122.401 122.820 -0.033 0.000 1.917 803 A HA -0.326 4.009 4.320 0.023 0.000 0.219 803 A C 2.458 180.011 177.584 -0.050 0.000 1.182 803 A CA 2.300 54.314 52.037 -0.038 0.000 0.633 803 A CB -0.801 18.172 19.000 -0.044 0.000 0.819 803 A HN 0.566 nan 8.150 nan 0.000 0.448 804 K N -0.628 119.739 120.400 -0.054 0.000 2.032 804 K HA -0.211 4.123 4.320 0.023 0.000 0.209 804 K C 1.844 178.418 176.600 -0.042 0.000 1.048 804 K CA 1.717 57.964 56.287 -0.066 0.000 0.927 804 K CB -0.138 32.332 32.500 -0.049 0.000 0.712 804 K HN 0.449 nan 8.250 nan 0.000 0.441 805 E N 0.390 120.578 120.200 -0.020 0.000 2.072 805 E HA -0.124 4.240 4.350 0.023 0.000 0.191 805 E C 2.191 178.801 176.600 0.017 0.000 0.985 805 E CA 0.943 57.343 56.400 -0.001 0.000 0.801 805 E CB -0.294 29.405 29.700 -0.001 0.000 0.750 805 E HN 0.160 nan 8.360 nan 0.000 0.452 806 V N 1.518 121.440 119.914 0.014 0.000 2.407 806 V HA -0.255 3.879 4.120 0.023 0.000 0.248 806 V C 2.411 178.547 176.094 0.070 0.000 1.055 806 V CA 1.704 64.027 62.300 0.039 0.000 1.049 806 V CB -0.485 31.357 31.823 0.031 0.000 0.662 806 V HN 0.237 nan 8.190 nan 0.000 0.455 807 M N -0.809 118.815 119.600 0.041 0.000 2.200 807 M HA -0.139 4.355 4.480 0.023 0.000 0.265 807 M C 2.145 178.567 176.300 0.203 0.000 1.066 807 M CA 1.682 57.035 55.300 0.088 0.000 1.127 807 M CB -0.445 32.044 32.600 -0.185 0.000 1.379 807 M HN 0.330 nan 8.290 nan 0.000 0.420 808 E N -0.063 120.198 120.200 0.103 0.000 2.208 808 E HA -0.080 4.284 4.350 0.023 0.000 0.193 808 E C 1.821 178.489 176.600 0.113 0.000 0.988 808 E CA 0.955 57.432 56.400 0.129 0.000 0.828 808 E CB -0.117 29.617 29.700 0.057 0.000 0.763 808 E HN 0.584 nan 8.360 nan 0.000 0.478 809 G N 0.688 109.546 108.800 0.096 0.000 3.233 809 G HA2 -0.025 3.949 3.960 0.023 0.000 0.234 809 G HA3 -0.025 3.949 3.960 0.023 0.000 0.234 809 G C 1.342 176.311 174.900 0.115 0.000 1.137 809 G CA -0.202 44.945 45.100 0.079 0.000 0.763 809 G HN 0.139 nan 8.290 nan 0.000 0.549 810 V N -0.297 119.718 119.914 0.167 0.000 2.363 810 V HA -0.090 4.044 4.120 0.023 0.000 0.254 810 V C 0.476 176.758 176.094 0.313 0.000 1.074 810 V CA 1.775 64.207 62.300 0.220 0.000 1.069 810 V CB -0.228 31.740 31.823 0.241 0.000 0.659 810 V HN 0.436 nan 8.190 nan 0.000 0.455 811 Y N -0.290 120.061 120.300 0.086 0.000 2.266 811 Y HA 0.401 4.965 4.550 0.023 0.000 0.321 811 Y C -2.721 173.179 175.900 0.000 0.000 1.194 811 Y CA -2.113 56.036 58.100 0.083 0.000 1.430 811 Y CB 0.615 39.181 38.460 0.177 0.000 1.240 811 Y HN 0.142 nan 8.280 nan 0.000 0.420 812 P HA 0.101 nan 4.420 nan 0.000 0.260 812 P C -0.476 176.701 177.300 -0.205 0.000 1.172 812 P CA 0.915 63.915 63.100 -0.167 0.000 0.760 812 P CB 0.611 32.211 31.700 -0.167 0.000 0.773 813 L N 1.955 123.088 121.223 -0.151 0.000 2.391 813 L HA 0.598 4.952 4.340 0.023 0.000 0.266 813 L C 1.687 178.570 176.870 0.022 0.000 1.035 813 L CA -1.037 53.666 54.840 -0.228 0.000 0.877 813 L CB 0.250 42.053 42.059 -0.425 0.000 1.504 813 L HN 0.175 nan 8.230 nan 0.000 0.503 814 A N -0.004 122.986 122.820 0.284 0.000 2.168 814 A HA 0.171 4.505 4.320 0.023 0.000 0.215 814 A C 0.465 178.116 177.584 0.112 0.000 1.152 814 A CA 0.921 53.082 52.037 0.206 0.000 0.716 814 A CB -0.583 18.545 19.000 0.213 0.000 0.794 814 A HN 0.441 nan 8.150 nan 0.000 0.465 815 V N -4.764 115.189 119.914 0.065 0.000 2.962 815 V HA 0.686 4.820 4.120 0.023 0.000 0.313 815 V C -3.346 172.726 176.094 -0.037 0.000 1.099 815 V CA -2.948 59.372 62.300 0.033 0.000 0.971 815 V CB 1.645 33.481 31.823 0.021 0.000 1.028 815 V HN 0.018 nan 8.190 nan 0.000 0.430 816 P HA 0.434 nan 4.420 nan 0.000 0.275 816 P C -0.881 176.375 177.300 -0.074 0.000 1.228 816 P CA -0.169 62.918 63.100 -0.022 0.000 0.786 816 P CB 0.463 32.175 31.700 0.019 0.000 0.927 817 L N 2.755 123.961 121.223 -0.029 0.000 2.265 817 L HA 0.310 4.664 4.340 0.023 0.000 0.289 817 L C 0.695 177.610 176.870 0.075 0.000 1.033 817 L CA -0.482 54.365 54.840 0.012 0.000 0.814 817 L CB 0.612 42.718 42.059 0.079 0.000 1.203 817 L HN 0.235 nan 8.230 nan 0.000 0.423 818 E N 3.101 123.338 120.200 0.062 0.000 2.214 818 E HA 0.532 4.896 4.350 0.023 0.000 0.274 818 E C -0.874 175.763 176.600 0.061 0.000 0.977 818 E CA -0.584 55.849 56.400 0.056 0.000 0.827 818 E CB 3.081 32.807 29.700 0.044 0.000 1.130 818 E HN 0.155 nan 8.360 nan 0.000 0.394 819 V N 2.494 122.406 119.914 -0.003 0.000 2.483 819 V HA 0.182 4.316 4.120 0.023 0.000 0.297 819 V C -0.350 175.718 176.094 -0.043 0.000 1.027 819 V CA -0.845 61.407 62.300 -0.080 0.000 0.855 819 V CB 1.733 33.435 31.823 -0.202 0.000 0.995 819 V HN 0.537 nan 8.190 nan 0.000 0.424 820 E N 3.085 123.270 120.200 -0.024 0.000 2.289 820 E HA 0.545 4.909 4.350 0.023 0.000 0.278 820 E C -0.765 175.825 176.600 -0.018 0.000 1.032 820 E CA -0.297 56.100 56.400 -0.004 0.000 0.854 820 E CB 2.323 32.036 29.700 0.022 0.000 1.046 820 E HN 0.385 nan 8.360 nan 0.000 0.409 821 V N 2.368 122.276 119.914 -0.011 0.000 2.656 821 V HA 0.818 4.952 4.120 0.023 0.000 0.307 821 V C -0.325 175.773 176.094 0.006 0.000 1.051 821 V CA -0.246 62.046 62.300 -0.012 0.000 0.893 821 V CB 1.815 33.621 31.823 -0.028 0.000 0.999 821 V HN 0.743 nan 8.190 nan 0.000 0.426 822 G N 5.377 114.187 108.800 0.017 0.000 2.642 822 G HA2 0.785 4.759 3.960 0.023 0.000 0.293 822 G HA3 0.785 4.759 3.960 0.023 0.000 0.293 822 G C -1.678 173.239 174.900 0.028 0.000 1.341 822 G CA -0.673 44.443 45.100 0.027 0.000 0.916 822 G HN 0.757 nan 8.290 nan 0.000 0.474 823 I N 0.214 120.801 120.570 0.028 0.000 2.569 823 I HA 0.719 4.903 4.170 0.023 0.000 0.290 823 I C 0.234 176.372 176.117 0.035 0.000 1.088 823 I CA -0.617 60.699 61.300 0.026 0.000 1.047 823 I CB 2.500 40.507 38.000 0.011 0.000 1.237 823 I HN 0.864 nan 8.210 nan 0.000 0.421 824 G N 3.639 112.465 108.800 0.044 0.000 2.559 824 G HA2 0.260 4.234 3.960 0.023 0.000 0.291 824 G HA3 0.260 4.234 3.960 0.023 0.000 0.291 824 G C -0.170 174.762 174.900 0.054 0.000 1.424 824 G CA -0.351 44.778 45.100 0.048 0.000 0.786 824 G HN 0.487 nan 8.290 nan 0.000 0.485 825 E N -0.575 119.653 120.200 0.047 0.000 2.274 825 E HA 0.014 4.378 4.350 0.023 0.000 0.194 825 E C 0.371 177.004 176.600 0.055 0.000 0.996 825 E CA 1.557 57.985 56.400 0.046 0.000 0.840 825 E CB 0.192 29.909 29.700 0.029 0.000 0.772 825 E HN 0.704 nan 8.360 nan 0.000 0.491 826 D N -3.093 117.351 120.400 0.073 0.000 2.579 826 D HA 0.032 4.686 4.640 0.023 0.000 0.257 826 D C 0.331 176.755 176.300 0.207 0.000 1.176 826 D CA -0.869 53.203 54.000 0.120 0.000 0.914 826 D CB 0.110 40.954 40.800 0.074 0.000 1.431 826 D HN -0.233 nan 8.370 nan 0.000 0.454 827 W N 0.685 122.017 121.300 0.053 0.000 2.363 827 W HA -0.075 4.599 4.660 0.024 0.000 0.296 827 W C 1.544 178.064 176.519 0.001 0.000 1.212 827 W CA 0.784 58.142 57.345 0.021 0.000 1.260 827 W CB -0.615 28.841 29.460 -0.006 0.000 1.131 827 W HN 0.520 nan 8.180 nan 0.000 0.530 828 L N 1.481 122.821 121.223 0.195 0.000 2.017 828 L HA -0.204 4.150 4.340 0.023 0.000 0.208 828 L C 2.763 179.676 176.870 0.072 0.000 1.073 828 L CA 3.135 58.008 54.840 0.054 0.000 0.745 828 L CB -1.309 40.766 42.059 0.027 0.000 0.894 828 L HN 0.030 nan 8.230 nan 0.000 0.432 829 S N -1.177 114.574 115.700 0.084 0.000 2.489 829 S HA 0.087 4.571 4.470 0.023 0.000 0.228 829 S C 1.961 176.608 174.600 0.079 0.000 0.995 829 S CA 0.413 58.651 58.200 0.065 0.000 0.934 829 S CB -0.600 62.629 63.200 0.048 0.000 0.771 829 S HN 0.443 nan 8.310 nan 0.000 0.522 830 A N 1.834 124.727 122.820 0.121 0.000 2.066 830 A HA 0.157 4.491 4.320 0.023 0.000 0.218 830 A C 1.618 179.272 177.584 0.118 0.000 1.157 830 A CA 0.553 52.660 52.037 0.116 0.000 0.670 830 A CB -0.304 18.777 19.000 0.134 0.000 0.804 830 A HN 0.508 nan 8.150 nan 0.000 0.453 831 K N 1.431 121.911 120.400 0.134 0.000 3.165 831 K HA 0.246 4.580 4.320 0.023 0.000 0.259 831 K C -0.700 175.934 176.600 0.057 0.000 1.282 831 K CA -0.108 56.237 56.287 0.097 0.000 1.259 831 K CB -0.140 32.412 32.500 0.087 0.000 1.546 831 K HN 0.547 nan 8.250 nan 0.000 0.384 832 E N 0.000 120.230 120.200 0.050 0.000 2.725 832 E HA 0.000 4.364 4.350 0.023 0.000 0.291 832 E CA 0.000 56.421 56.400 0.036 0.000 0.976 832 E CB 0.000 29.718 29.700 0.031 0.000 0.812 832 E HN 0.000 nan 8.360 nan 0.000 0.440