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 1nk8_1_A DATA FIRST_RESID 297 DATA SEQUENCE AKMAFTLADR VTEEMLADKA ALVVEVVEEN YHDAPIVGIA VVNEHGRFFL DATA SEQUENCE RPETALADPQ FVAWLGDETK KKSMFDSKRA AVALKWKGIE LCGVSFDLLL DATA SEQUENCE AAYLLDPAQG VDDVAAAAKM KQYEAVRPDE AVYGKGAKRA VPDEPVLAEH DATA SEQUENCE LVRKAAAIWE LERPFLDELR RNEQDRLLVE LEQPLSSILA EMEFAGVKVD DATA SEQUENCE TKRLEQMGKE LAEQLGTVEQ RIYELAGQEF NINSPKQLGV ILFEKLQLPV DATA SEQUENCE LKKTKTGYST SADVLEKLAP YHEIVENILH YRQLGKLQST YIEGLLKVVR DATA SEQUENCE PDTKKVHTIF NQALTQTGRL SSTEPNLQNI PIRLEEGRKI RQAFVPSESD DATA SEQUENCE WLIFAADYSQ IELRVLAHIA EDDNLMEAFR RDLDIHTKTA MDIFQVSEDE DATA SEQUENCE VTPNMRRQAK AVNFGIVYGI SDYGLAQNLN ISRKEAAEFI ERYFESFPGV DATA SEQUENCE KRYMENIVQE AKQKGYVTTL LHRRRYLPDI TSRNFNVRSF AERMAMNTPI DATA SEQUENCE QGSAADIIKK AMIDLNARLK EERLQAHLLL QVHDELILEA PKEEMERLCR DATA SEQUENCE LVPEVMEQAV TLRVPLKVDY HYGSTWYDAK 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 297 A HA 0.000 nan 4.320 nan 0.000 0.244 297 A C 0.000 177.587 177.584 0.004 0.000 1.274 297 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 297 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 298 K N 1.031 121.435 120.400 0.007 0.000 2.580 298 K HA 0.414 4.732 4.320 -0.003 0.000 0.278 298 K C 0.279 176.904 176.600 0.041 0.000 0.960 298 K CA 1.307 57.610 56.287 0.026 0.000 0.988 298 K CB -0.015 32.492 32.500 0.012 0.000 0.887 298 K HN 1.666 nan 8.250 nan 0.000 0.509 299 M N 1.886 121.541 119.600 0.092 0.000 2.209 299 M HA 0.537 5.015 4.480 -0.003 0.000 0.355 299 M C 0.260 176.655 176.300 0.157 0.000 1.171 299 M CA -0.495 54.874 55.300 0.115 0.000 1.069 299 M CB 1.455 34.136 32.600 0.134 0.000 1.622 299 M HN 0.825 nan 8.290 nan 0.000 0.459 300 A N 5.100 127.962 122.820 0.069 0.000 2.425 300 A HA 0.623 4.941 4.320 -0.003 0.000 0.249 300 A C -0.849 176.790 177.584 0.091 0.000 1.084 300 A CA -0.135 51.895 52.037 -0.011 0.000 0.781 300 A CB -0.216 18.756 19.000 -0.047 0.000 1.019 300 A HN 0.929 nan 8.150 nan 0.000 0.490 301 F N -1.351 118.541 119.950 -0.097 0.000 2.769 301 F HA 0.564 5.087 4.527 -0.005 0.000 0.313 301 F C -0.710 175.035 175.800 -0.092 0.000 1.146 301 F CA -0.788 57.130 58.000 -0.138 0.000 0.934 301 F CB 0.744 39.688 39.000 -0.094 0.000 1.283 301 F HN 0.309 nan 8.300 nan 0.000 0.443 302 T N 3.326 117.951 114.554 0.118 0.000 2.744 302 T HA 0.394 4.742 4.350 -0.003 0.000 0.291 302 T C -0.402 174.525 174.700 0.378 0.000 0.957 302 T CA -0.319 61.860 62.100 0.131 0.000 1.002 302 T CB 0.961 69.932 68.868 0.172 0.000 0.919 302 T HN 0.761 nan 8.240 nan 0.000 0.468 303 L N 4.134 125.520 121.223 0.273 0.000 2.375 303 L HA 0.510 4.848 4.340 -0.003 0.000 0.276 303 L C 0.662 177.687 176.870 0.258 0.000 1.162 303 L CA -0.594 54.494 54.840 0.413 0.000 0.991 303 L CB -0.391 41.852 42.059 0.306 0.000 1.315 303 L HN 0.718 nan 8.230 nan 0.000 0.431 304 A N 2.795 125.759 122.820 0.241 0.000 2.407 304 A HA 0.134 4.452 4.320 -0.003 0.000 0.248 304 A C 0.542 178.159 177.584 0.055 0.000 1.082 304 A CA -0.259 51.848 52.037 0.117 0.000 0.785 304 A CB 0.237 19.279 19.000 0.070 0.000 1.020 304 A HN 0.736 nan 8.150 nan 0.000 0.489 305 D N 0.023 120.436 120.400 0.022 0.000 2.379 305 D HA 0.108 4.746 4.640 -0.003 0.000 0.208 305 D C 0.538 176.815 176.300 -0.039 0.000 1.065 305 D CA 0.545 54.545 54.000 0.001 0.000 0.848 305 D CB 0.329 41.135 40.800 0.010 0.000 0.949 305 D HN 0.742 nan 8.370 nan 0.000 0.509 306 R N -1.034 119.431 120.500 -0.058 0.000 2.692 306 R HA 0.448 4.786 4.340 -0.003 0.000 0.269 306 R C -1.372 174.854 176.300 -0.124 0.000 1.030 306 R CA -0.749 55.299 56.100 -0.086 0.000 0.882 306 R CB 0.991 31.256 30.300 -0.059 0.000 1.250 306 R HN -0.306 nan 8.270 nan 0.000 0.465 307 V N 1.926 121.751 119.914 -0.148 0.000 2.614 307 V HA 0.317 4.435 4.120 -0.003 0.000 0.291 307 V C 0.492 176.492 176.094 -0.158 0.000 1.049 307 V CA 0.217 62.408 62.300 -0.183 0.000 1.038 307 V CB 1.104 32.841 31.823 -0.143 0.000 0.980 307 V HN 0.959 nan 8.190 nan 0.000 0.481 308 T N 0.343 114.763 114.554 -0.224 0.000 2.930 308 T HA 0.459 4.807 4.350 -0.003 0.000 0.290 308 T C 0.680 175.235 174.700 -0.241 0.000 1.052 308 T CA -0.578 61.400 62.100 -0.203 0.000 1.017 308 T CB 2.027 70.773 68.868 -0.203 0.000 1.137 308 T HN 0.468 nan 8.240 nan 0.000 0.511 309 E N 0.800 120.888 120.200 -0.188 0.000 2.085 309 E HA -0.186 4.162 4.350 -0.003 0.000 0.194 309 E C 1.925 178.384 176.600 -0.236 0.000 0.994 309 E CA 2.105 58.399 56.400 -0.177 0.000 0.801 309 E CB -0.307 29.318 29.700 -0.124 0.000 0.743 309 E HN 0.906 nan 8.360 nan 0.000 0.453 310 E N -0.567 119.451 120.200 -0.303 0.000 2.401 310 E HA -0.168 4.180 4.350 -0.003 0.000 0.199 310 E C 1.660 178.081 176.600 -0.298 0.000 1.023 310 E CA 0.869 57.057 56.400 -0.353 0.000 0.859 310 E CB -0.286 29.134 29.700 -0.466 0.000 0.780 310 E HN 0.340 nan 8.360 nan 0.000 0.523 311 M N 0.547 119.814 119.600 -0.555 0.000 2.595 311 M HA 0.118 4.596 4.480 -0.003 0.000 0.248 311 M C 0.863 176.745 176.300 -0.696 0.000 1.119 311 M CA 0.622 55.477 55.300 -0.742 0.000 1.079 311 M CB 0.328 32.450 32.600 -0.797 0.000 1.472 311 M HN 0.118 nan 8.290 nan 0.000 0.501 312 L N 0.047 120.936 121.223 -0.556 0.000 3.062 312 L HA 0.441 4.779 4.340 -0.003 0.000 0.255 312 L C 0.703 177.486 176.870 -0.146 0.000 1.274 312 L CA -0.808 53.578 54.840 -0.756 0.000 1.047 312 L CB -0.441 41.349 42.059 -0.448 0.000 1.402 312 L HN 0.026 nan 8.230 nan 0.000 0.550 313 A N 0.550 123.379 122.820 0.015 0.000 2.429 313 A HA 0.088 4.406 4.320 -0.003 0.000 0.242 313 A C 0.909 178.710 177.584 0.362 0.000 1.088 313 A CA 0.121 52.283 52.037 0.208 0.000 0.784 313 A CB 0.190 19.297 19.000 0.179 0.000 1.038 313 A HN 0.534 nan 8.150 nan 0.000 0.501 314 D N -1.045 119.514 120.400 0.266 0.000 2.338 314 D HA 0.184 4.822 4.640 -0.003 0.000 0.239 314 D C 0.056 176.483 176.300 0.212 0.000 1.095 314 D CA 0.369 54.508 54.000 0.232 0.000 0.888 314 D CB -0.039 40.845 40.800 0.139 0.000 0.899 314 D HN 0.310 nan 8.370 nan 0.000 0.525 315 K N 0.008 120.574 120.400 0.276 0.000 2.588 315 K HA 0.695 5.013 4.320 -0.003 0.000 0.250 315 K C -1.922 174.928 176.600 0.418 0.000 0.972 315 K CA -0.438 56.034 56.287 0.308 0.000 0.821 315 K CB 1.780 34.447 32.500 0.280 0.000 1.249 315 K HN 0.047 nan 8.250 nan 0.000 0.442 316 A N 2.064 125.159 122.820 0.459 0.000 2.597 316 A HA 0.808 5.126 4.320 -0.003 0.000 0.292 316 A C -1.571 176.267 177.584 0.423 0.000 1.057 316 A CA -0.445 51.829 52.037 0.394 0.000 0.674 316 A CB 1.203 20.405 19.000 0.336 0.000 1.278 316 A HN 0.866 nan 8.150 nan 0.000 0.416 317 A N 0.425 123.459 122.820 0.357 0.000 2.301 317 A HA 0.671 4.989 4.320 -0.003 0.000 0.298 317 A C -0.667 177.061 177.584 0.240 0.000 1.185 317 A CA -0.243 51.995 52.037 0.335 0.000 0.830 317 A CB 0.359 19.567 19.000 0.346 0.000 1.112 317 A HN 1.937 nan 8.150 nan 0.000 0.508 318 L N 3.381 124.745 121.223 0.234 0.000 2.365 318 L HA 0.753 5.091 4.340 -0.003 0.000 0.273 318 L C -1.151 175.818 176.870 0.165 0.000 1.000 318 L CA -0.336 54.643 54.840 0.232 0.000 0.819 318 L CB 2.245 44.477 42.059 0.287 0.000 1.284 318 L HN 0.385 nan 8.230 nan 0.000 0.418 319 V N 5.541 125.542 119.914 0.145 0.000 2.443 319 V HA 0.485 4.603 4.120 -0.003 0.000 0.293 319 V C -0.756 175.401 176.094 0.105 0.000 1.021 319 V CA -0.567 61.796 62.300 0.105 0.000 0.848 319 V CB 1.877 33.740 31.823 0.066 0.000 0.998 319 V HN 0.513 nan 8.190 nan 0.000 0.424 320 V N 3.968 123.937 119.914 0.092 0.000 2.289 320 V HA 0.334 4.452 4.120 -0.003 0.000 0.272 320 V C 0.059 176.188 176.094 0.059 0.000 1.026 320 V CA -0.651 61.697 62.300 0.079 0.000 0.807 320 V CB 1.288 33.158 31.823 0.078 0.000 1.044 320 V HN 0.924 nan 8.190 nan 0.000 0.443 321 E N 3.517 123.758 120.200 0.068 0.000 2.265 321 E HA 0.315 4.663 4.350 -0.003 0.000 0.272 321 E C -0.754 175.866 176.600 0.034 0.000 1.067 321 E CA 0.174 56.616 56.400 0.071 0.000 0.900 321 E CB 1.064 30.838 29.700 0.123 0.000 1.017 321 E HN 0.425 nan 8.360 nan 0.000 0.431 322 V N 6.502 126.427 119.914 0.018 0.000 2.349 322 V HA 0.100 4.218 4.120 -0.003 0.000 0.284 322 V C 0.816 176.885 176.094 -0.041 0.000 1.014 322 V CA -0.536 61.763 62.300 -0.001 0.000 0.826 322 V CB 1.437 33.279 31.823 0.030 0.000 1.009 322 V HN 0.691 nan 8.190 nan 0.000 0.431 323 V N 2.418 122.252 119.914 -0.133 0.000 2.488 323 V HA 0.025 4.144 4.120 -0.003 0.000 0.246 323 V C 1.267 177.272 176.094 -0.148 0.000 1.046 323 V CA 0.900 63.039 62.300 -0.267 0.000 1.053 323 V CB -0.204 31.320 31.823 -0.499 0.000 0.679 323 V HN 0.795 nan 8.190 nan 0.000 0.458 324 E N 0.816 120.964 120.200 -0.087 0.000 2.465 324 E HA -0.046 4.302 4.350 -0.003 0.000 0.260 324 E C 1.112 177.698 176.600 -0.024 0.000 0.980 324 E CA 0.228 56.594 56.400 -0.056 0.000 0.927 324 E CB 0.805 30.474 29.700 -0.051 0.000 0.934 324 E HN 0.494 nan 8.360 nan 0.000 0.459 325 E N 1.941 122.125 120.200 -0.027 0.000 2.058 325 E HA -0.177 4.171 4.350 -0.003 0.000 0.194 325 E C 0.688 177.247 176.600 -0.069 0.000 0.997 325 E CA 0.721 57.112 56.400 -0.014 0.000 0.801 325 E CB 0.137 29.828 29.700 -0.015 0.000 0.746 325 E HN 0.278 nan 8.360 nan 0.000 0.450 326 N N 0.453 119.086 118.700 -0.111 0.000 2.415 326 N HA -0.045 4.693 4.740 -0.003 0.000 0.246 326 N C -0.143 175.244 175.510 -0.205 0.000 1.078 326 N CA -0.043 52.874 53.050 -0.222 0.000 0.942 326 N CB 0.433 38.843 38.487 -0.128 0.000 1.140 326 N HN 0.106 nan 8.380 nan 0.000 0.501 327 Y N 1.333 121.558 120.300 -0.126 0.000 2.529 327 Y HA 0.245 4.793 4.550 -0.003 0.000 0.290 327 Y C 0.335 176.097 175.900 -0.229 0.000 1.177 327 Y CA -0.443 57.562 58.100 -0.158 0.000 1.305 327 Y CB -0.880 37.504 38.460 -0.126 0.000 1.047 327 Y HN 0.372 nan 8.280 nan 0.000 0.522 328 H N 2.761 121.780 119.070 -0.085 0.000 2.975 328 H HA 0.016 4.570 4.556 -0.003 0.000 0.303 328 H C 0.356 175.162 175.328 -0.869 0.000 1.023 328 H CA 0.916 56.760 56.048 -0.341 0.000 1.473 328 H CB 0.461 30.083 29.762 -0.234 0.000 1.498 328 H HN 0.344 nan 8.280 nan 0.000 0.549 329 D N 0.852 120.420 120.400 -1.387 0.000 2.882 329 D HA -0.181 4.457 4.640 -0.003 0.000 0.229 329 D C -0.120 175.963 176.300 -0.361 0.000 1.167 329 D CA 0.892 54.335 54.000 -0.928 0.000 0.759 329 D CB -0.695 39.414 40.800 -1.152 0.000 1.088 329 D HN 0.750 nan 8.370 nan 0.000 0.425 330 A N -0.185 122.503 122.820 -0.220 0.000 2.271 330 A HA 0.684 5.002 4.320 -0.003 0.000 0.288 330 A C -2.136 175.422 177.584 -0.044 0.000 1.094 330 A CA -0.987 50.989 52.037 -0.103 0.000 0.828 330 A CB 0.644 19.612 19.000 -0.052 0.000 1.091 330 A HN 0.098 nan 8.150 nan 0.000 0.493 331 P HA 0.371 nan 4.420 nan 0.000 0.275 331 P C -0.970 176.330 177.300 -0.001 0.000 1.228 331 P CA 0.066 63.158 63.100 -0.012 0.000 0.786 331 P CB 0.508 32.198 31.700 -0.016 0.000 0.927 332 I N 2.581 123.158 120.570 0.011 0.000 2.328 332 I HA 0.062 4.230 4.170 -0.003 0.000 0.287 332 I C 1.449 177.579 176.117 0.021 0.000 1.012 332 I CA -0.522 60.789 61.300 0.018 0.000 1.195 332 I CB 1.495 39.510 38.000 0.025 0.000 1.350 332 I HN 0.199 nan 8.210 nan 0.000 0.464 333 V N 3.172 123.105 119.914 0.033 0.000 3.306 333 V HA 0.457 4.575 4.120 -0.003 0.000 0.264 333 V C 0.721 176.883 176.094 0.113 0.000 1.149 333 V CA 0.781 63.120 62.300 0.065 0.000 1.143 333 V CB -0.467 31.396 31.823 0.067 0.000 0.767 333 V HN 0.814 nan 8.190 nan 0.000 0.476 334 G N -0.670 108.181 108.800 0.085 0.000 2.387 334 G HA2 0.593 4.551 3.960 -0.003 0.000 0.294 334 G HA3 0.593 4.551 3.960 -0.003 0.000 0.294 334 G C -1.739 173.142 174.900 -0.032 0.000 1.509 334 G CA -0.710 44.426 45.100 0.060 0.000 0.806 334 G HN 0.208 nan 8.290 nan 0.000 0.546 335 I N 0.283 120.700 120.570 -0.254 0.000 2.647 335 I HA 0.719 4.887 4.170 -0.003 0.000 0.295 335 I C 0.072 176.081 176.117 -0.180 0.000 1.078 335 I CA -1.016 60.187 61.300 -0.162 0.000 1.048 335 I CB 2.353 40.235 38.000 -0.196 0.000 1.239 335 I HN 0.840 nan 8.210 nan 0.000 0.421 336 A N 5.349 128.173 122.820 0.007 0.000 2.449 336 A HA 0.893 5.211 4.320 -0.003 0.000 0.302 336 A C -1.396 176.247 177.584 0.099 0.000 1.048 336 A CA -0.539 51.530 52.037 0.054 0.000 0.708 336 A CB 1.889 20.926 19.000 0.063 0.000 1.274 336 A HN 0.390 nan 8.150 nan 0.000 0.410 337 V N 1.918 121.909 119.914 0.128 0.000 2.638 337 V HA 0.595 4.713 4.120 -0.003 0.000 0.306 337 V C -0.792 175.384 176.094 0.136 0.000 1.052 337 V CA -0.526 61.866 62.300 0.153 0.000 0.885 337 V CB 1.800 33.693 31.823 0.117 0.000 0.999 337 V HN 0.727 nan 8.190 nan 0.000 0.424 338 V N 5.252 125.155 119.914 -0.019 0.000 2.525 338 V HA 0.652 4.770 4.120 -0.003 0.000 0.299 338 V C -0.470 175.245 176.094 -0.633 0.000 1.034 338 V CA -0.478 61.654 62.300 -0.280 0.000 0.863 338 V CB 1.805 33.429 31.823 -0.330 0.000 0.999 338 V HN 1.131 nan 8.190 nan 0.000 0.423 339 N N 2.330 120.644 118.700 -0.644 0.000 3.387 339 N HA 0.273 5.011 4.740 -0.003 0.000 0.322 339 N C 0.702 175.872 175.510 -0.567 0.000 1.588 339 N CA -0.393 52.173 53.050 -0.805 0.000 0.778 339 N CB 0.581 38.941 38.487 -0.211 0.000 1.883 339 N HN 0.521 nan 8.380 nan 0.000 0.628 340 E N -1.494 118.540 120.200 -0.276 0.000 2.333 340 E HA -0.214 4.134 4.350 -0.003 0.000 0.198 340 E C 0.241 176.727 176.600 -0.189 0.000 1.007 340 E CA 1.159 57.475 56.400 -0.140 0.000 0.845 340 E CB -0.463 29.158 29.700 -0.133 0.000 0.766 340 E HN 0.519 nan 8.360 nan 0.000 0.507 341 H N 0.336 119.440 119.070 0.057 0.000 2.562 341 H HA 0.342 4.896 4.556 -0.004 0.000 0.267 341 H C 1.158 176.518 175.328 0.052 0.000 0.959 341 H CA 0.895 57.009 56.048 0.109 0.000 1.204 341 H CB 1.125 31.004 29.762 0.195 0.000 1.430 341 H HN 0.366 nan 8.280 nan 0.000 0.545 342 G N 0.365 109.155 108.800 -0.017 0.000 2.320 342 G HA2 0.054 4.012 3.960 -0.003 0.000 0.274 342 G HA3 0.054 4.012 3.960 -0.003 0.000 0.274 342 G C -1.376 173.156 174.900 -0.614 0.000 1.324 342 G CA -1.154 43.750 45.100 -0.327 0.000 0.957 342 G HN 0.121 nan 8.290 nan 0.000 0.481 343 R N -0.537 119.497 120.500 -0.778 0.000 2.494 343 R HA 0.704 5.042 4.340 -0.003 0.000 0.305 343 R C -1.392 174.453 176.300 -0.758 0.000 0.959 343 R CA -0.448 55.316 56.100 -0.561 0.000 0.864 343 R CB 1.440 31.625 30.300 -0.192 0.000 1.159 343 R HN 0.320 nan 8.270 nan 0.000 0.446 344 F N 1.790 121.767 119.950 0.044 0.000 2.576 344 F HA 0.469 4.997 4.527 0.002 0.000 0.313 344 F C -0.589 175.258 175.800 0.079 0.000 1.078 344 F CA -1.121 56.932 58.000 0.088 0.000 0.921 344 F CB 1.499 40.497 39.000 -0.003 0.000 1.232 344 F HN 0.336 nan 8.300 nan 0.000 0.459 345 F N 3.590 123.649 119.950 0.182 0.000 2.482 345 F HA 0.822 5.347 4.527 -0.003 0.000 0.331 345 F C -1.759 174.069 175.800 0.046 0.000 1.115 345 F CA -1.002 57.020 58.000 0.037 0.000 0.955 345 F CB 1.085 40.077 39.000 -0.014 0.000 1.136 345 F HN 0.338 nan 8.300 nan 0.000 0.452 346 L N 6.142 126.812 121.223 -0.921 0.000 2.408 346 L HA 0.559 4.897 4.340 -0.003 0.000 0.268 346 L C -0.476 175.856 176.870 -0.896 0.000 0.986 346 L CA -1.025 53.389 54.840 -0.710 0.000 0.820 346 L CB 2.307 44.026 42.059 -0.566 0.000 1.303 346 L HN 0.560 nan 8.230 nan 0.000 0.411 347 R N 2.796 122.997 120.500 -0.498 0.000 2.389 347 R HA 0.170 4.508 4.340 -0.003 0.000 0.295 347 R C -1.716 174.434 176.300 -0.249 0.000 1.075 347 R CA -1.577 54.351 56.100 -0.287 0.000 1.005 347 R CB 0.799 31.051 30.300 -0.079 0.000 0.987 347 R HN 0.315 nan 8.270 nan 0.000 0.452 348 P HA -0.225 nan 4.420 nan 0.000 0.215 348 P C 0.380 177.625 177.300 -0.092 0.000 1.157 348 P CA 1.371 64.396 63.100 -0.125 0.000 0.874 348 P CB 0.293 31.961 31.700 -0.054 0.000 0.790 349 E N -1.051 119.112 120.200 -0.062 0.000 2.097 349 E HA -0.167 4.181 4.350 -0.003 0.000 0.196 349 E C 1.906 178.471 176.600 -0.058 0.000 1.000 349 E CA 1.963 58.340 56.400 -0.039 0.000 0.804 349 E CB -1.473 28.213 29.700 -0.022 0.000 0.740 349 E HN 0.302 nan 8.360 nan 0.000 0.454 350 T N 0.408 114.903 114.554 -0.097 0.000 2.668 350 T HA -0.045 4.303 4.350 -0.003 0.000 0.258 350 T C 2.035 176.638 174.700 -0.162 0.000 1.051 350 T CA 1.221 63.251 62.100 -0.116 0.000 1.155 350 T CB -0.567 68.219 68.868 -0.136 0.000 0.864 350 T HN 0.293 nan 8.240 nan 0.000 0.413 351 A N 1.618 124.262 122.820 -0.292 0.000 1.865 351 A HA -0.019 4.299 4.320 -0.003 0.000 0.217 351 A C 2.271 179.769 177.584 -0.144 0.000 1.191 351 A CA 1.384 53.129 52.037 -0.486 0.000 0.623 351 A CB -1.082 17.320 19.000 -0.998 0.000 0.826 351 A HN 0.491 nan 8.150 nan 0.000 0.444 352 L N -1.143 120.052 121.223 -0.046 0.000 2.456 352 L HA -0.095 4.243 4.340 -0.003 0.000 0.224 352 L C 2.569 179.481 176.870 0.070 0.000 1.148 352 L CA 0.694 55.587 54.840 0.087 0.000 0.825 352 L CB -0.381 41.715 42.059 0.061 0.000 0.937 352 L HN 0.474 nan 8.230 nan 0.000 0.450 353 A N -1.839 120.997 122.820 0.025 0.000 2.220 353 A HA -0.023 4.295 4.320 -0.003 0.000 0.211 353 A C 0.826 178.430 177.584 0.034 0.000 1.176 353 A CA -0.122 51.930 52.037 0.025 0.000 0.834 353 A CB -0.013 18.989 19.000 0.003 0.000 0.868 353 A HN 0.223 nan 8.150 nan 0.000 0.488 354 D N 1.030 121.456 120.400 0.043 0.000 2.325 354 D HA 0.130 4.768 4.640 -0.003 0.000 0.251 354 D C -1.475 174.887 176.300 0.104 0.000 1.196 354 D CA -1.603 52.431 54.000 0.056 0.000 0.866 354 D CB 1.424 42.244 40.800 0.034 0.000 1.101 354 D HN 0.089 nan 8.370 nan 0.000 0.476 355 P HA -0.197 nan 4.420 nan 0.000 0.218 355 P C 0.934 178.283 177.300 0.082 0.000 1.148 355 P CA 1.186 64.326 63.100 0.067 0.000 0.822 355 P CB 0.599 32.323 31.700 0.040 0.000 0.784 356 Q N -0.939 118.912 119.800 0.086 0.000 2.046 356 Q HA -0.095 4.243 4.340 -0.003 0.000 0.200 356 Q C 2.086 178.176 176.000 0.150 0.000 0.975 356 Q CA 1.285 57.142 55.803 0.091 0.000 0.836 356 Q CB -1.428 27.343 28.738 0.056 0.000 0.896 356 Q HN 0.225 nan 8.270 nan 0.000 0.428 357 F N 0.058 120.026 119.950 0.030 0.000 2.102 357 F HA -0.182 4.342 4.527 -0.004 0.000 0.298 357 F C 1.898 177.800 175.800 0.170 0.000 1.105 357 F CA 0.893 58.940 58.000 0.078 0.000 1.239 357 F CB -0.226 38.773 39.000 -0.000 0.000 0.991 357 F HN -0.133 nan 8.300 nan 0.000 0.474 358 V N 0.374 120.399 119.914 0.185 0.000 2.287 358 V HA -0.339 3.779 4.120 -0.003 0.000 0.248 358 V C 2.709 178.803 176.094 -0.001 0.000 1.053 358 V CA 1.871 64.216 62.300 0.076 0.000 1.027 358 V CB -1.567 30.308 31.823 0.088 0.000 0.646 358 V HN 0.466 nan 8.190 nan 0.000 0.447 359 A N -1.057 121.782 122.820 0.033 0.000 1.902 359 A HA -0.286 4.032 4.320 -0.003 0.000 0.217 359 A C 1.956 179.537 177.584 -0.004 0.000 1.181 359 A CA 1.956 54.000 52.037 0.011 0.000 0.623 359 A CB -0.918 18.104 19.000 0.036 0.000 0.818 359 A HN 0.750 nan 8.150 nan 0.000 0.443 360 W N 0.681 121.872 121.300 -0.181 0.000 2.358 360 W HA -0.154 4.504 4.660 -0.003 0.000 0.303 360 W C 1.725 178.082 176.519 -0.270 0.000 1.208 360 W CA 1.857 59.068 57.345 -0.223 0.000 1.274 360 W CB -0.342 28.944 29.460 -0.289 0.000 1.138 360 W HN 0.252 nan 8.180 nan 0.000 0.515 361 L N 0.211 121.240 121.223 -0.323 0.000 2.042 361 L HA -0.122 4.216 4.340 -0.003 0.000 0.210 361 L C 2.529 179.174 176.870 -0.374 0.000 1.076 361 L CA 1.604 56.167 54.840 -0.461 0.000 0.749 361 L CB -1.400 40.493 42.059 -0.275 0.000 0.893 361 L HN 0.241 nan 8.230 nan 0.000 0.432 362 G N -1.829 106.827 108.800 -0.241 0.000 2.920 362 G HA2 -0.131 3.827 3.960 -0.003 0.000 0.208 362 G HA3 -0.131 3.827 3.960 -0.003 0.000 0.208 362 G C 0.283 175.071 174.900 -0.187 0.000 1.159 362 G CA -0.189 44.799 45.100 -0.186 0.000 0.784 362 G HN 0.163 nan 8.290 nan 0.000 0.535 363 D N 0.726 120.984 120.400 -0.237 0.000 2.336 363 D HA 0.116 4.754 4.640 -0.003 0.000 0.249 363 D C 1.285 177.450 176.300 -0.225 0.000 1.213 363 D CA -0.345 53.538 54.000 -0.195 0.000 0.870 363 D CB 1.293 41.989 40.800 -0.173 0.000 1.076 363 D HN 0.113 nan 8.370 nan 0.000 0.483 364 E N 1.948 122.055 120.200 -0.155 0.000 2.265 364 E HA -0.168 4.180 4.350 -0.003 0.000 0.196 364 E C 1.550 178.079 176.600 -0.119 0.000 0.996 364 E CA 1.582 57.901 56.400 -0.136 0.000 0.832 364 E CB 0.011 29.655 29.700 -0.094 0.000 0.756 364 E HN 0.532 nan 8.360 nan 0.000 0.491 365 T N -2.203 112.291 114.554 -0.101 0.000 3.113 365 T HA 0.083 4.431 4.350 -0.003 0.000 0.256 365 T C 0.481 175.139 174.700 -0.069 0.000 1.131 365 T CA -0.119 61.942 62.100 -0.065 0.000 1.074 365 T CB 0.067 68.914 68.868 -0.035 0.000 0.944 365 T HN -0.172 nan 8.240 nan 0.000 0.516 366 K N 2.803 123.112 120.400 -0.152 0.000 2.266 366 K HA 0.340 4.658 4.320 -0.003 0.000 0.274 366 K C -0.333 176.133 176.600 -0.224 0.000 1.090 366 K CA -0.397 55.782 56.287 -0.178 0.000 0.925 366 K CB 1.069 33.304 32.500 -0.442 0.000 1.225 366 K HN 0.177 nan 8.250 nan 0.000 0.458 367 K N 2.651 123.011 120.400 -0.066 0.000 2.322 367 K HA 0.220 4.538 4.320 -0.003 0.000 0.283 367 K C -0.064 176.544 176.600 0.013 0.000 1.042 367 K CA -0.441 55.825 56.287 -0.036 0.000 0.958 367 K CB 0.669 33.184 32.500 0.024 0.000 0.984 367 K HN 0.264 nan 8.250 nan 0.000 0.473 368 K N 0.635 121.023 120.400 -0.019 0.000 2.316 368 K HA 0.377 4.695 4.320 -0.003 0.000 0.251 368 K C -0.697 175.977 176.600 0.123 0.000 0.934 368 K CA -0.441 55.880 56.287 0.056 0.000 0.802 368 K CB 1.955 34.419 32.500 -0.060 0.000 1.171 368 K HN 0.298 nan 8.250 nan 0.000 0.426 369 S N 2.776 118.604 115.700 0.213 0.000 2.449 369 S HA 0.621 5.089 4.470 -0.003 0.000 0.310 369 S C -0.658 174.079 174.600 0.227 0.000 1.096 369 S CA -0.784 57.586 58.200 0.284 0.000 1.095 369 S CB 0.420 63.829 63.200 0.348 0.000 1.007 369 S HN 0.459 nan 8.310 nan 0.000 0.474 370 M N 1.935 121.624 119.600 0.147 0.000 2.846 370 M HA 0.595 5.073 4.480 -0.003 0.000 0.282 370 M C -1.631 174.706 176.300 0.062 0.000 1.266 370 M CA -0.761 54.602 55.300 0.104 0.000 0.766 370 M CB 1.598 34.226 32.600 0.046 0.000 1.739 370 M HN 0.583 nan 8.290 nan 0.000 0.442 371 F N 1.764 121.678 119.950 -0.061 0.000 2.499 371 F HA 0.366 4.892 4.527 -0.002 0.000 0.333 371 F C -0.482 175.271 175.800 -0.077 0.000 1.138 371 F CA -0.296 57.648 58.000 -0.093 0.000 0.945 371 F CB 0.789 39.749 39.000 -0.066 0.000 1.181 371 F HN 0.696 nan 8.300 nan 0.000 0.435 372 D N 3.399 123.545 120.400 -0.423 0.000 2.848 372 D HA -0.210 4.428 4.640 -0.003 0.000 0.245 372 D C 0.942 177.158 176.300 -0.140 0.000 1.122 372 D CA 1.010 54.858 54.000 -0.253 0.000 0.769 372 D CB -0.739 40.019 40.800 -0.071 0.000 1.025 372 D HN 0.622 nan 8.370 nan 0.000 0.423 373 S N 0.530 116.135 115.700 -0.157 0.000 2.423 373 S HA -0.214 4.254 4.470 -0.003 0.000 0.231 373 S C 1.853 176.358 174.600 -0.160 0.000 1.014 373 S CA 1.353 59.477 58.200 -0.127 0.000 0.965 373 S CB 0.046 63.176 63.200 -0.118 0.000 0.785 373 S HN 0.543 nan 8.310 nan 0.000 0.495 374 K N 1.834 122.129 120.400 -0.174 0.000 2.057 374 K HA -0.105 4.213 4.320 -0.003 0.000 0.207 374 K C 2.512 178.865 176.600 -0.412 0.000 1.049 374 K CA 1.223 57.393 56.287 -0.196 0.000 0.931 374 K CB -0.244 32.194 32.500 -0.103 0.000 0.714 374 K HN 0.458 nan 8.250 nan 0.000 0.440 375 R N 0.202 120.389 120.500 -0.521 0.000 2.083 375 R HA -0.163 4.175 4.340 -0.003 0.000 0.237 375 R C 2.101 178.065 176.300 -0.560 0.000 1.137 375 R CA 1.674 57.216 56.100 -0.931 0.000 0.951 375 R CB -0.431 29.627 30.300 -0.402 0.000 0.851 375 R HN 0.281 nan 8.270 nan 0.000 0.434 376 A N 0.712 123.368 122.820 -0.273 0.000 1.873 376 A HA -0.037 4.281 4.320 -0.003 0.000 0.215 376 A C 2.422 179.918 177.584 -0.148 0.000 1.186 376 A CA 1.555 53.504 52.037 -0.148 0.000 0.616 376 A CB -0.876 18.081 19.000 -0.071 0.000 0.823 376 A HN 0.574 nan 8.150 nan 0.000 0.442 377 A N -0.521 122.196 122.820 -0.172 0.000 1.883 377 A HA -0.053 4.265 4.320 -0.003 0.000 0.217 377 A C 2.250 179.738 177.584 -0.161 0.000 1.186 377 A CA 1.990 53.934 52.037 -0.155 0.000 0.624 377 A CB -0.988 17.924 19.000 -0.145 0.000 0.822 377 A HN 0.405 nan 8.150 nan 0.000 0.444 378 V N -0.298 119.513 119.914 -0.172 0.000 2.307 378 V HA -0.203 3.915 4.120 -0.003 0.000 0.245 378 V C 3.058 179.234 176.094 0.137 0.000 1.045 378 V CA 1.839 64.123 62.300 -0.026 0.000 1.024 378 V CB -1.219 30.651 31.823 0.080 0.000 0.651 378 V HN 0.622 nan 8.190 nan 0.000 0.449 379 A N -0.263 122.586 122.820 0.048 0.000 1.940 379 A HA -0.172 4.146 4.320 -0.003 0.000 0.219 379 A C 2.206 179.861 177.584 0.118 0.000 1.176 379 A CA 1.821 53.938 52.037 0.134 0.000 0.631 379 A CB -0.524 18.495 19.000 0.032 0.000 0.814 379 A HN 0.518 nan 8.150 nan 0.000 0.446 380 L N -1.051 120.179 121.223 0.011 0.000 2.109 380 L HA -0.146 4.192 4.340 -0.003 0.000 0.207 380 L C 2.537 179.357 176.870 -0.083 0.000 1.086 380 L CA 1.395 56.225 54.840 -0.016 0.000 0.760 380 L CB -0.377 41.654 42.059 -0.047 0.000 0.910 380 L HN 0.332 nan 8.230 nan 0.000 0.437 381 K N -0.561 119.699 120.400 -0.235 0.000 2.063 381 K HA -0.213 4.105 4.320 -0.003 0.000 0.208 381 K C 1.889 178.191 176.600 -0.497 0.000 1.048 381 K CA 1.796 57.713 56.287 -0.616 0.000 0.928 381 K CB -0.254 31.486 32.500 -1.266 0.000 0.713 381 K HN 0.270 nan 8.250 nan 0.000 0.442 382 W N 1.255 122.453 121.300 -0.170 0.000 2.525 382 W HA -0.087 4.571 4.660 -0.004 0.000 0.259 382 W C 1.408 177.970 176.519 0.071 0.000 1.253 382 W CA 0.711 58.143 57.345 0.144 0.000 1.262 382 W CB 0.199 29.772 29.460 0.189 0.000 1.122 382 W HN -0.039 nan 8.180 nan 0.000 0.607 383 K N -0.372 120.145 120.400 0.196 0.000 2.372 383 K HA 0.249 4.567 4.320 -0.003 0.000 0.200 383 K C 1.252 177.890 176.600 0.063 0.000 1.022 383 K CA 0.521 56.884 56.287 0.127 0.000 1.125 383 K CB 0.380 32.938 32.500 0.096 0.000 0.855 383 K HN 0.036 nan 8.250 nan 0.000 0.524 384 G N 2.071 110.881 108.800 0.017 0.000 2.176 384 G HA2 -0.260 3.698 3.960 -0.003 0.000 0.252 384 G HA3 -0.260 3.698 3.960 -0.003 0.000 0.252 384 G C -0.047 174.831 174.900 -0.036 0.000 1.024 384 G CA 0.010 45.100 45.100 -0.016 0.000 0.755 384 G HN 0.272 nan 8.290 nan 0.000 0.507 385 I N 0.042 120.578 120.570 -0.056 0.000 2.433 385 I HA 0.402 4.570 4.170 -0.003 0.000 0.292 385 I C 0.236 176.294 176.117 -0.098 0.000 1.001 385 I CA -0.816 60.454 61.300 -0.050 0.000 1.119 385 I CB 1.959 39.955 38.000 -0.006 0.000 1.289 385 I HN 0.193 nan 8.210 nan 0.000 0.438 386 E N 5.923 126.064 120.200 -0.098 0.000 2.197 386 E HA 0.382 4.730 4.350 -0.003 0.000 0.281 386 E C -1.540 174.980 176.600 -0.133 0.000 0.995 386 E CA -0.834 55.492 56.400 -0.123 0.000 0.808 386 E CB 1.716 31.349 29.700 -0.111 0.000 1.093 386 E HN 0.381 nan 8.360 nan 0.000 0.394 387 L N 5.862 126.998 121.223 -0.145 0.000 2.280 387 L HA 0.431 4.769 4.340 -0.003 0.000 0.287 387 L C -1.492 175.277 176.870 -0.169 0.000 1.023 387 L CA -0.210 54.532 54.840 -0.164 0.000 0.819 387 L CB 0.687 42.661 42.059 -0.142 0.000 1.212 387 L HN 0.676 nan 8.230 nan 0.000 0.420 388 C N 2.268 121.445 119.300 -0.206 0.000 3.108 388 C HA 0.832 5.290 4.460 -0.003 0.000 0.321 388 C C 1.141 175.999 174.990 -0.221 0.000 1.357 388 C CA -0.043 58.864 59.018 -0.184 0.000 1.562 388 C CB 1.389 29.030 27.740 -0.164 0.000 2.003 388 C HN 1.091 nan 8.230 nan 0.000 0.460 389 G N 0.327 109.026 108.800 -0.169 0.000 2.148 389 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.254 389 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.254 389 G C -0.102 174.722 174.900 -0.128 0.000 0.981 389 G CA 0.313 45.315 45.100 -0.162 0.000 0.670 389 G HN 0.872 nan 8.290 nan 0.000 0.528 390 V N 2.010 121.859 119.914 -0.109 0.000 2.403 390 V HA 0.372 4.490 4.120 -0.003 0.000 0.265 390 V C 1.569 177.649 176.094 -0.024 0.000 1.034 390 V CA 1.024 63.285 62.300 -0.066 0.000 1.036 390 V CB 1.026 32.802 31.823 -0.077 0.000 1.032 390 V HN 0.812 nan 8.190 nan 0.000 0.478 391 S N 4.027 119.743 115.700 0.028 0.000 2.524 391 S HA 0.272 4.740 4.470 -0.003 0.000 0.215 391 S C -0.109 174.590 174.600 0.166 0.000 0.986 391 S CA -0.136 58.104 58.200 0.066 0.000 0.911 391 S CB 0.121 63.356 63.200 0.059 0.000 0.805 391 S HN 0.563 nan 8.310 nan 0.000 0.501 392 F N 1.664 121.600 119.950 -0.023 0.000 2.605 392 F HA 0.511 5.036 4.527 -0.003 0.000 0.320 392 F C -2.134 173.646 175.800 -0.034 0.000 1.159 392 F CA -0.962 57.026 58.000 -0.021 0.000 0.999 392 F CB 1.679 40.671 39.000 -0.013 0.000 1.258 392 F HN -0.035 nan 8.300 nan 0.000 0.464 393 D N 6.198 126.137 120.400 -0.769 0.000 2.440 393 D HA 0.162 4.800 4.640 -0.003 0.000 0.239 393 D C 0.591 176.294 176.300 -0.995 0.000 1.084 393 D CA -0.291 53.319 54.000 -0.650 0.000 0.843 393 D CB 1.793 42.357 40.800 -0.394 0.000 1.097 393 D HN 0.692 nan 8.370 nan 0.000 0.531 394 L N 5.226 125.943 121.223 -0.843 0.000 2.131 394 L HA -0.105 4.233 4.340 -0.003 0.000 0.210 394 L C 1.881 178.455 176.870 -0.495 0.000 1.092 394 L CA 1.462 55.929 54.840 -0.621 0.000 0.759 394 L CB -0.551 41.439 42.059 -0.115 0.000 0.903 394 L HN 0.531 nan 8.230 nan 0.000 0.435 395 L N -0.946 119.791 121.223 -0.811 0.000 2.017 395 L HA -0.178 4.160 4.340 -0.003 0.000 0.208 395 L C 2.224 178.886 176.870 -0.346 0.000 1.073 395 L CA 1.878 56.190 54.840 -0.881 0.000 0.745 395 L CB -0.617 40.654 42.059 -1.312 0.000 0.894 395 L HN 0.279 nan 8.230 nan 0.000 0.432 396 L N -0.614 120.415 121.223 -0.324 0.000 2.093 396 L HA -0.099 4.239 4.340 -0.003 0.000 0.208 396 L C 2.682 179.551 176.870 -0.001 0.000 1.085 396 L CA 0.939 55.715 54.840 -0.106 0.000 0.755 396 L CB -0.966 41.010 42.059 -0.139 0.000 0.904 396 L HN 0.391 nan 8.230 nan 0.000 0.435 397 A N 0.305 123.058 122.820 -0.112 0.000 1.877 397 A HA -0.153 4.165 4.320 -0.003 0.000 0.216 397 A C 2.548 180.296 177.584 0.275 0.000 1.186 397 A CA 1.728 53.817 52.037 0.088 0.000 0.620 397 A CB -0.661 18.404 19.000 0.108 0.000 0.822 397 A HN 0.378 nan 8.150 nan 0.000 0.443 398 A N -1.545 121.439 122.820 0.272 0.000 1.930 398 A HA -0.087 4.231 4.320 -0.003 0.000 0.217 398 A C 2.140 179.895 177.584 0.286 0.000 1.175 398 A CA 1.679 53.963 52.037 0.412 0.000 0.627 398 A CB -0.808 18.410 19.000 0.363 0.000 0.815 398 A HN 0.735 nan 8.150 nan 0.000 0.443 399 Y N 0.694 121.046 120.300 0.087 0.000 2.145 399 Y HA -0.171 4.377 4.550 -0.004 0.000 0.286 399 Y C 1.914 177.859 175.900 0.074 0.000 1.145 399 Y CA 1.801 59.941 58.100 0.067 0.000 1.148 399 Y CB -0.409 38.060 38.460 0.016 0.000 0.981 399 Y HN 0.214 nan 8.280 nan 0.000 0.507 400 L N -0.635 120.574 121.223 -0.024 0.000 2.093 400 L HA -0.232 4.106 4.340 -0.003 0.000 0.208 400 L C 2.491 179.317 176.870 -0.073 0.000 1.085 400 L CA 1.105 55.866 54.840 -0.131 0.000 0.755 400 L CB -0.630 41.425 42.059 -0.008 0.000 0.904 400 L HN 0.289 nan 8.230 nan 0.000 0.435 401 L N -0.901 120.343 121.223 0.034 0.000 2.046 401 L HA -0.103 4.236 4.340 -0.003 0.000 0.208 401 L C 0.356 177.286 176.870 0.100 0.000 1.077 401 L CA 0.990 55.860 54.840 0.050 0.000 0.747 401 L CB -0.048 42.047 42.059 0.059 0.000 0.896 401 L HN 0.261 nan 8.230 nan 0.000 0.432 402 D N -2.404 118.053 120.400 0.094 0.000 2.362 402 D HA 0.139 4.777 4.640 -0.003 0.000 0.228 402 D C -2.157 174.208 176.300 0.108 0.000 1.326 402 D CA -1.142 52.946 54.000 0.146 0.000 0.927 402 D CB 1.223 42.115 40.800 0.152 0.000 1.501 402 D HN -0.244 nan 8.370 nan 0.000 0.519 403 P HA -0.025 nan 4.420 nan 0.000 0.220 403 P C 1.133 178.538 177.300 0.175 0.000 1.148 403 P CA 0.998 64.148 63.100 0.083 0.000 0.803 403 P CB 0.357 32.016 31.700 -0.068 0.000 0.782 404 A N -0.543 122.367 122.820 0.149 0.000 2.067 404 A HA -0.182 4.136 4.320 -0.003 0.000 0.219 404 A C 2.127 179.792 177.584 0.135 0.000 1.158 404 A CA 1.133 53.258 52.037 0.146 0.000 0.661 404 A CB -0.935 18.153 19.000 0.146 0.000 0.801 404 A HN 0.075 nan 8.150 nan 0.000 0.452 405 Q N -0.973 118.910 119.800 0.138 0.000 2.291 405 Q HA -0.028 4.310 4.340 -0.003 0.000 0.205 405 Q C 1.417 177.502 176.000 0.141 0.000 0.970 405 Q CA 0.938 56.818 55.803 0.128 0.000 0.876 405 Q CB -0.665 28.153 28.738 0.134 0.000 0.935 405 Q HN 0.985 nan 8.270 nan 0.000 0.455 406 G N 0.652 109.551 108.800 0.165 0.000 2.221 406 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.265 406 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.265 406 G C 0.108 175.109 174.900 0.168 0.000 1.041 406 G CA 0.332 45.527 45.100 0.159 0.000 0.807 406 G HN 0.227 nan 8.290 nan 0.000 0.502 407 V N 1.281 121.315 119.914 0.200 0.000 2.475 407 V HA 0.260 4.378 4.120 -0.003 0.000 0.292 407 V C 1.175 177.424 176.094 0.259 0.000 1.003 407 V CA 1.339 63.777 62.300 0.231 0.000 1.120 407 V CB 0.912 32.901 31.823 0.277 0.000 0.937 407 V HN 0.654 nan 8.190 nan 0.000 0.476 408 D N 1.740 122.292 120.400 0.253 0.000 2.527 408 D HA 0.164 4.802 4.640 -0.003 0.000 0.224 408 D C -0.084 176.400 176.300 0.308 0.000 1.217 408 D CA -0.190 53.978 54.000 0.281 0.000 0.819 408 D CB 0.417 41.324 40.800 0.178 0.000 1.061 408 D HN 0.633 nan 8.370 nan 0.000 0.515 409 D N -1.548 118.952 120.400 0.166 0.000 2.599 409 D HA 0.087 4.725 4.640 -0.003 0.000 0.252 409 D C 0.916 176.830 176.300 -0.644 0.000 1.232 409 D CA -0.870 52.950 54.000 -0.300 0.000 0.819 409 D CB 1.312 42.053 40.800 -0.099 0.000 1.401 409 D HN -0.228 nan 8.370 nan 0.000 0.429 410 V N 0.862 120.153 119.914 -1.038 0.000 2.324 410 V HA -0.235 3.883 4.120 -0.003 0.000 0.250 410 V C 2.637 178.605 176.094 -0.210 0.000 1.060 410 V CA 2.943 64.839 62.300 -0.672 0.000 1.042 410 V CB -1.169 30.354 31.823 -0.501 0.000 0.650 410 V HN 0.804 nan 8.190 nan 0.000 0.450 411 A N -0.052 122.700 122.820 -0.113 0.000 1.908 411 A HA -0.181 4.137 4.320 -0.003 0.000 0.218 411 A C 2.438 180.059 177.584 0.062 0.000 1.181 411 A CA 2.354 54.403 52.037 0.020 0.000 0.627 411 A CB -0.841 18.185 19.000 0.043 0.000 0.818 411 A HN 0.612 nan 8.150 nan 0.000 0.445 412 A N -0.327 122.526 122.820 0.054 0.000 1.902 412 A HA 0.172 4.490 4.320 -0.003 0.000 0.217 412 A C 2.507 180.191 177.584 0.167 0.000 1.181 412 A CA 2.116 54.220 52.037 0.111 0.000 0.623 412 A CB -0.983 18.091 19.000 0.123 0.000 0.818 412 A HN 1.061 nan 8.150 nan 0.000 0.443 413 A N -0.141 122.787 122.820 0.181 0.000 1.873 413 A HA 0.195 4.513 4.320 -0.003 0.000 0.215 413 A C 2.508 180.274 177.584 0.304 0.000 1.186 413 A CA 1.995 54.193 52.037 0.267 0.000 0.616 413 A CB -1.039 18.080 19.000 0.198 0.000 0.823 413 A HN 1.064 nan 8.150 nan 0.000 0.442 414 A N -0.393 122.531 122.820 0.173 0.000 1.933 414 A HA -0.174 4.144 4.320 -0.003 0.000 0.218 414 A C 2.092 179.839 177.584 0.273 0.000 1.175 414 A CA 1.938 54.098 52.037 0.205 0.000 0.628 414 A CB -0.446 18.639 19.000 0.142 0.000 0.814 414 A HN 0.521 nan 8.150 nan 0.000 0.444 415 K N -0.899 119.630 120.400 0.214 0.000 2.280 415 K HA -0.038 4.280 4.320 -0.003 0.000 0.202 415 K C 1.831 178.524 176.600 0.155 0.000 1.047 415 K CA 1.173 57.563 56.287 0.171 0.000 0.942 415 K CB -0.233 32.343 32.500 0.127 0.000 0.739 415 K HN 0.559 nan 8.250 nan 0.000 0.457 416 M N 0.155 119.870 119.600 0.192 0.000 2.296 416 M HA -0.113 4.365 4.480 -0.003 0.000 0.265 416 M C 0.850 177.195 176.300 0.076 0.000 1.064 416 M CA 1.303 56.680 55.300 0.128 0.000 1.109 416 M CB 0.286 32.984 32.600 0.164 0.000 1.396 416 M HN -0.143 nan 8.290 nan 0.000 0.430 417 K N 0.478 120.967 120.400 0.149 0.000 2.593 417 K HA 0.148 4.466 4.320 -0.003 0.000 0.208 417 K C -0.083 176.607 176.600 0.150 0.000 1.051 417 K CA 0.064 56.422 56.287 0.118 0.000 1.111 417 K CB 0.622 33.223 32.500 0.168 0.000 0.849 417 K HN 0.202 nan 8.250 nan 0.000 0.479 418 Q N -0.705 119.174 119.800 0.132 0.000 2.461 418 Q HA -0.266 4.072 4.340 -0.003 0.000 0.273 418 Q C -0.696 175.391 176.000 0.145 0.000 1.163 418 Q CA 0.959 56.828 55.803 0.109 0.000 0.929 418 Q CB -2.880 25.896 28.738 0.063 0.000 1.334 418 Q HN 0.459 nan 8.270 nan 0.000 0.499 419 Y N 0.082 120.427 120.300 0.075 0.000 2.331 419 Y HA 0.380 4.931 4.550 0.003 0.000 0.338 419 Y C 0.688 176.625 175.900 0.063 0.000 0.976 419 Y CA -0.573 57.570 58.100 0.073 0.000 1.137 419 Y CB 0.975 39.493 38.460 0.097 0.000 1.172 419 Y HN 0.050 nan 8.280 nan 0.000 0.478 420 E N 3.563 123.720 120.200 -0.072 0.000 2.810 420 E HA 0.271 4.619 4.350 -0.003 0.000 0.214 420 E C 0.131 176.700 176.600 -0.052 0.000 0.980 420 E CA -0.100 56.310 56.400 0.017 0.000 1.159 420 E CB 0.745 30.448 29.700 0.005 0.000 1.047 420 E HN 0.648 nan 8.360 nan 0.000 0.484 421 A N 1.322 124.003 122.820 -0.231 0.000 2.840 421 A HA 0.309 4.627 4.320 -0.003 0.000 0.269 421 A C -0.051 177.603 177.584 0.117 0.000 1.439 421 A CA 0.055 52.021 52.037 -0.119 0.000 1.083 421 A CB 0.026 18.856 19.000 -0.285 0.000 1.019 421 A HN 0.104 nan 8.150 nan 0.000 0.607 422 V N -0.368 119.635 119.914 0.148 0.000 3.000 422 V HA 0.456 4.574 4.120 -0.003 0.000 0.300 422 V C -1.015 175.150 176.094 0.118 0.000 1.251 422 V CA -0.995 61.397 62.300 0.154 0.000 0.972 422 V CB 2.028 33.958 31.823 0.179 0.000 1.065 422 V HN 0.673 nan 8.190 nan 0.000 0.431 423 R N 5.064 125.645 120.500 0.135 0.000 2.500 423 R HA 0.567 4.905 4.340 -0.003 0.000 0.277 423 R C -2.586 173.770 176.300 0.092 0.000 1.026 423 R CA -1.683 54.459 56.100 0.069 0.000 1.058 423 R CB 1.022 31.303 30.300 -0.031 0.000 1.078 423 R HN 0.485 nan 8.270 nan 0.000 0.509 424 P HA 0.008 nan 4.420 nan 0.000 0.271 424 P C -0.263 177.023 177.300 -0.023 0.000 1.218 424 P CA -0.120 62.994 63.100 0.023 0.000 0.780 424 P CB 0.634 32.341 31.700 0.012 0.000 0.901 425 D N 1.390 121.821 120.400 0.051 0.000 2.123 425 D HA -0.198 4.440 4.640 -0.003 0.000 0.196 425 D C 1.559 177.859 176.300 -0.000 0.000 0.992 425 D CA 1.411 55.453 54.000 0.070 0.000 0.833 425 D CB -0.159 40.810 40.800 0.281 0.000 0.954 425 D HN 0.600 nan 8.370 nan 0.000 0.455 426 E N 0.383 120.607 120.200 0.039 0.000 2.110 426 E HA -0.166 4.182 4.350 -0.003 0.000 0.193 426 E C 1.960 178.537 176.600 -0.038 0.000 0.988 426 E CA 0.994 57.416 56.400 0.036 0.000 0.804 426 E CB 0.039 29.763 29.700 0.040 0.000 0.745 426 E HN 0.184 nan 8.360 nan 0.000 0.458 427 A N 0.226 122.992 122.820 -0.091 0.000 1.933 427 A HA -0.120 4.198 4.320 -0.003 0.000 0.218 427 A C 2.305 179.763 177.584 -0.209 0.000 1.175 427 A CA 1.381 53.346 52.037 -0.120 0.000 0.628 427 A CB -0.338 18.595 19.000 -0.111 0.000 0.814 427 A HN 0.219 nan 8.150 nan 0.000 0.444 428 V N -1.954 117.722 119.914 -0.396 0.000 2.379 428 V HA -0.149 3.969 4.120 -0.003 0.000 0.243 428 V C 2.131 177.940 176.094 -0.474 0.000 1.035 428 V CA 1.518 63.456 62.300 -0.603 0.000 1.035 428 V CB -0.918 30.170 31.823 -1.226 0.000 0.673 428 V HN 0.644 nan 8.190 nan 0.000 0.457 429 Y N 0.624 120.860 120.300 -0.107 0.000 2.497 429 Y HA 0.526 5.075 4.550 -0.002 0.000 0.265 429 Y C 1.583 177.464 175.900 -0.031 0.000 1.111 429 Y CA 0.110 58.180 58.100 -0.050 0.000 1.288 429 Y CB -0.526 37.921 38.460 -0.020 0.000 1.082 429 Y HN 0.334 nan 8.280 nan 0.000 0.536 430 G N 1.391 110.239 108.800 0.079 0.000 2.741 430 G HA2 -0.205 3.753 3.960 -0.003 0.000 0.222 430 G HA3 -0.205 3.753 3.960 -0.003 0.000 0.222 430 G C -0.508 174.434 174.900 0.071 0.000 1.364 430 G CA -0.206 44.925 45.100 0.052 0.000 0.866 430 G HN 0.428 nan 8.290 nan 0.000 0.555 431 K N -0.999 119.429 120.400 0.047 0.000 2.495 431 K HA 0.798 5.116 4.320 -0.003 0.000 0.268 431 K C 0.923 177.541 176.600 0.029 0.000 1.008 431 K CA 0.015 56.327 56.287 0.043 0.000 0.882 431 K CB 1.502 34.025 32.500 0.038 0.000 1.443 431 K HN 2.603 nan 8.250 nan 0.000 0.447 432 G N 0.647 109.462 108.800 0.024 0.000 2.582 432 G HA2 -0.392 3.566 3.960 -0.003 0.000 0.288 432 G HA3 -0.392 3.566 3.960 -0.003 0.000 0.288 432 G C 0.933 175.841 174.900 0.014 0.000 1.247 432 G CA 0.967 46.077 45.100 0.016 0.000 0.972 432 G HN 1.165 nan 8.290 nan 0.000 0.557 433 A N -0.560 122.266 122.820 0.011 0.000 2.070 433 A HA 0.097 4.415 4.320 -0.003 0.000 0.220 433 A C 2.104 179.695 177.584 0.012 0.000 1.159 433 A CA 2.297 54.339 52.037 0.009 0.000 0.656 433 A CB -0.301 18.703 19.000 0.006 0.000 0.800 433 A HN 0.621 nan 8.150 nan 0.000 0.453 434 K N -0.599 119.811 120.400 0.015 0.000 2.444 434 K HA 0.069 4.387 4.320 -0.003 0.000 0.193 434 K C 0.813 177.431 176.600 0.029 0.000 1.024 434 K CA -0.285 56.013 56.287 0.018 0.000 1.077 434 K CB 0.149 32.659 32.500 0.016 0.000 0.833 434 K HN 0.385 nan 8.250 nan 0.000 0.517 435 R N 1.363 121.882 120.500 0.032 0.000 2.590 435 R HA 0.246 4.584 4.340 -0.003 0.000 0.274 435 R C -0.930 175.398 176.300 0.046 0.000 1.061 435 R CA 0.211 56.340 56.100 0.049 0.000 1.081 435 R CB 0.493 30.815 30.300 0.036 0.000 0.984 435 R HN 0.101 nan 8.270 nan 0.000 0.448 436 A N 2.961 125.829 122.820 0.080 0.000 2.581 436 A HA 0.274 4.592 4.320 -0.003 0.000 0.294 436 A C -1.457 176.218 177.584 0.150 0.000 1.035 436 A CA -0.792 51.289 52.037 0.073 0.000 0.684 436 A CB 1.158 20.190 19.000 0.053 0.000 1.282 436 A HN 0.444 nan 8.150 nan 0.000 0.417 437 V N 3.807 123.792 119.914 0.119 0.000 2.455 437 V HA 0.389 4.507 4.120 -0.003 0.000 0.273 437 V C -1.233 174.948 176.094 0.146 0.000 1.045 437 V CA -0.511 61.905 62.300 0.194 0.000 0.976 437 V CB 0.535 32.425 31.823 0.113 0.000 0.993 437 V HN 0.868 nan 8.190 nan 0.000 0.475 438 P HA 0.208 nan 4.420 nan 0.000 0.277 438 P C -0.455 176.872 177.300 0.045 0.000 1.276 438 P CA -0.602 62.531 63.100 0.054 0.000 0.788 438 P CB 0.682 32.377 31.700 -0.008 0.000 1.114 439 D N 0.033 120.444 120.400 0.017 0.000 2.390 439 D HA -0.059 4.579 4.640 -0.003 0.000 0.236 439 D C 1.332 177.630 176.300 -0.002 0.000 1.189 439 D CA 0.102 54.110 54.000 0.013 0.000 0.887 439 D CB 0.574 41.375 40.800 0.002 0.000 1.198 439 D HN 0.516 nan 8.370 nan 0.000 0.444 440 E N 0.926 121.125 120.200 -0.001 0.000 2.086 440 E HA -0.194 4.154 4.350 -0.003 0.000 0.200 440 E C -0.927 175.594 176.600 -0.130 0.000 1.012 440 E CA 1.269 57.640 56.400 -0.048 0.000 0.812 440 E CB -0.393 29.306 29.700 -0.000 0.000 0.743 440 E HN 0.259 nan 8.360 nan 0.000 0.453 441 P HA -0.162 nan 4.420 nan 0.000 0.215 441 P C 1.438 178.707 177.300 -0.051 0.000 1.153 441 P CA 1.199 64.272 63.100 -0.046 0.000 0.853 441 P CB 0.060 31.748 31.700 -0.020 0.000 0.788 442 V N -0.690 119.192 119.914 -0.054 0.000 2.379 442 V HA -0.182 3.936 4.120 -0.003 0.000 0.245 442 V C 2.369 178.418 176.094 -0.075 0.000 1.044 442 V CA 1.380 63.646 62.300 -0.058 0.000 1.036 442 V CB -1.223 30.562 31.823 -0.063 0.000 0.664 442 V HN 0.047 nan 8.190 nan 0.000 0.453 443 L N 1.161 122.338 121.223 -0.077 0.000 2.017 443 L HA -0.071 4.267 4.340 -0.003 0.000 0.208 443 L C 2.460 179.231 176.870 -0.165 0.000 1.073 443 L CA 2.435 57.254 54.840 -0.034 0.000 0.745 443 L CB -1.001 41.081 42.059 0.040 0.000 0.894 443 L HN 0.205 nan 8.230 nan 0.000 0.432 444 A N -0.610 121.909 122.820 -0.502 0.000 1.908 444 A HA -0.291 4.027 4.320 -0.003 0.000 0.218 444 A C 2.331 179.529 177.584 -0.642 0.000 1.181 444 A CA 1.868 53.328 52.037 -0.962 0.000 0.627 444 A CB -0.825 17.438 19.000 -1.229 0.000 0.818 444 A HN 0.667 nan 8.150 nan 0.000 0.445 445 E N -1.280 118.727 120.200 -0.322 0.000 2.110 445 E HA -0.286 4.062 4.350 -0.003 0.000 0.193 445 E C 1.884 178.413 176.600 -0.120 0.000 0.988 445 E CA 1.465 57.755 56.400 -0.184 0.000 0.804 445 E CB -0.277 29.458 29.700 0.059 0.000 0.745 445 E HN 0.769 nan 8.360 nan 0.000 0.458 446 H N 0.581 119.551 119.070 -0.167 0.000 2.326 446 H HA -0.040 4.513 4.556 -0.005 0.000 0.301 446 H C 1.962 177.237 175.328 -0.088 0.000 1.081 446 H CA 1.968 57.942 56.048 -0.123 0.000 1.334 446 H CB -0.256 29.412 29.762 -0.157 0.000 1.385 446 H HN 0.172 nan 8.280 nan 0.000 0.504 447 L N -0.591 120.541 121.223 -0.151 0.000 2.083 447 L HA -0.132 4.206 4.340 -0.003 0.000 0.209 447 L C 2.512 179.296 176.870 -0.143 0.000 1.083 447 L CA 0.976 55.737 54.840 -0.131 0.000 0.752 447 L CB -0.471 41.642 42.059 0.090 0.000 0.899 447 L HN 0.206 nan 8.230 nan 0.000 0.433 448 V N -0.114 119.667 119.914 -0.220 0.000 2.358 448 V HA -0.227 3.891 4.120 -0.003 0.000 0.246 448 V C 2.620 178.639 176.094 -0.126 0.000 1.047 448 V CA 1.584 63.745 62.300 -0.232 0.000 1.035 448 V CB -0.542 30.965 31.823 -0.527 0.000 0.658 448 V HN 0.399 nan 8.190 nan 0.000 0.452 449 R N -0.125 120.308 120.500 -0.112 0.000 2.115 449 R HA -0.111 4.227 4.340 -0.003 0.000 0.230 449 R C 2.401 178.679 176.300 -0.038 0.000 1.111 449 R CA 1.158 57.246 56.100 -0.020 0.000 0.976 449 R CB -0.217 30.097 30.300 0.023 0.000 0.870 449 R HN 0.494 nan 8.270 nan 0.000 0.445 450 K N 0.132 120.440 120.400 -0.153 0.000 2.057 450 K HA -0.047 4.271 4.320 -0.003 0.000 0.206 450 K C 2.138 178.699 176.600 -0.066 0.000 1.050 450 K CA 1.258 57.448 56.287 -0.162 0.000 0.935 450 K CB -0.094 32.236 32.500 -0.284 0.000 0.715 450 K HN 0.117 nan 8.250 nan 0.000 0.439 451 A N 1.665 124.463 122.820 -0.037 0.000 1.933 451 A HA -0.096 4.222 4.320 -0.003 0.000 0.218 451 A C 2.382 180.009 177.584 0.071 0.000 1.175 451 A CA 1.800 53.856 52.037 0.032 0.000 0.628 451 A CB -0.553 18.460 19.000 0.022 0.000 0.814 451 A HN 0.326 nan 8.150 nan 0.000 0.444 452 A N -0.144 122.704 122.820 0.047 0.000 1.898 452 A HA 0.188 4.506 4.320 -0.003 0.000 0.216 452 A C 2.488 180.135 177.584 0.105 0.000 1.181 452 A CA 1.971 54.075 52.037 0.112 0.000 0.620 452 A CB -0.948 18.123 19.000 0.118 0.000 0.819 452 A HN 1.011 nan 8.150 nan 0.000 0.442 453 A N 0.007 122.808 122.820 -0.032 0.000 1.902 453 A HA -0.073 4.245 4.320 -0.003 0.000 0.217 453 A C 2.109 179.567 177.584 -0.211 0.000 1.181 453 A CA 1.496 53.313 52.037 -0.367 0.000 0.623 453 A CB -0.606 18.183 19.000 -0.352 0.000 0.818 453 A HN 0.492 nan 8.150 nan 0.000 0.443 454 I N -1.713 118.842 120.570 -0.024 0.000 2.226 454 I HA -0.290 3.878 4.170 -0.003 0.000 0.245 454 I C 2.530 178.728 176.117 0.135 0.000 1.100 454 I CA 1.441 62.790 61.300 0.081 0.000 1.374 454 I CB -0.354 37.745 38.000 0.165 0.000 1.057 454 I HN 0.716 nan 8.210 nan 0.000 0.413 455 W N 2.156 123.440 121.300 -0.026 0.000 2.338 455 W HA -0.288 4.367 4.660 -0.008 0.000 0.304 455 W C 2.386 178.878 176.519 -0.046 0.000 1.212 455 W CA 2.095 59.430 57.345 -0.017 0.000 1.264 455 W CB 0.004 29.471 29.460 0.011 0.000 1.142 455 W HN 0.177 nan 8.180 nan 0.000 0.512 456 E N 0.585 120.810 120.200 0.042 0.000 2.158 456 E HA -0.144 4.204 4.350 -0.003 0.000 0.191 456 E C 2.170 178.709 176.600 -0.101 0.000 0.982 456 E CA 1.434 57.802 56.400 -0.054 0.000 0.823 456 E CB -0.808 28.922 29.700 0.049 0.000 0.766 456 E HN 0.339 nan 8.360 nan 0.000 0.468 457 L N 0.374 121.531 121.223 -0.111 0.000 2.446 457 L HA 0.110 4.448 4.340 -0.003 0.000 0.219 457 L C 2.407 179.266 176.870 -0.018 0.000 1.116 457 L CA 0.558 55.396 54.840 -0.003 0.000 0.844 457 L CB -0.304 41.738 42.059 -0.027 0.000 0.970 457 L HN 0.226 nan 8.230 nan 0.000 0.457 458 E N 0.920 120.959 120.200 -0.268 0.000 2.049 458 E HA -0.323 4.025 4.350 -0.003 0.000 0.198 458 E C 2.275 178.572 176.600 -0.505 0.000 1.007 458 E CA 1.575 57.519 56.400 -0.760 0.000 0.809 458 E CB 0.122 29.323 29.700 -0.833 0.000 0.749 458 E HN 0.172 nan 8.360 nan 0.000 0.450 459 R N 0.585 120.896 120.500 -0.314 0.000 2.070 459 R HA -0.083 4.255 4.340 -0.003 0.000 0.233 459 R C -0.805 175.445 176.300 -0.082 0.000 1.137 459 R CA 2.140 58.120 56.100 -0.200 0.000 0.945 459 R CB -1.364 28.828 30.300 -0.179 0.000 0.845 459 R HN 0.321 nan 8.270 nan 0.000 0.430 460 P HA -0.125 nan 4.420 nan 0.000 0.218 460 P C 1.123 178.437 177.300 0.022 0.000 1.149 460 P CA 1.218 64.324 63.100 0.011 0.000 0.817 460 P CB -0.152 31.572 31.700 0.039 0.000 0.785 461 F N -0.057 119.886 119.950 -0.013 0.000 2.146 461 F HA -0.052 4.472 4.527 -0.005 0.000 0.298 461 F C 2.604 178.450 175.800 0.076 0.000 1.096 461 F CA 1.176 59.227 58.000 0.085 0.000 1.275 461 F CB -1.213 37.944 39.000 0.262 0.000 1.008 461 F HN -0.258 nan 8.300 nan 0.000 0.480 462 L N -0.568 120.753 121.223 0.164 0.000 2.093 462 L HA -0.216 4.122 4.340 -0.003 0.000 0.208 462 L C 2.023 178.915 176.870 0.037 0.000 1.085 462 L CA 1.091 55.988 54.840 0.095 0.000 0.755 462 L CB -0.604 41.436 42.059 -0.031 0.000 0.904 462 L HN 0.048 nan 8.230 nan 0.000 0.435 463 D N -0.198 120.201 120.400 -0.002 0.000 2.117 463 D HA -0.221 4.417 4.640 -0.003 0.000 0.197 463 D C 2.044 178.329 176.300 -0.025 0.000 0.987 463 D CA 1.149 55.137 54.000 -0.021 0.000 0.829 463 D CB 0.056 40.835 40.800 -0.035 0.000 0.961 463 D HN 0.355 nan 8.370 nan 0.000 0.460 464 E N 0.128 120.303 120.200 -0.042 0.000 2.106 464 E HA -0.095 4.253 4.350 -0.003 0.000 0.192 464 E C 2.306 178.886 176.600 -0.034 0.000 0.984 464 E CA 0.283 56.645 56.400 -0.064 0.000 0.806 464 E CB -0.004 29.615 29.700 -0.135 0.000 0.750 464 E HN 0.203 nan 8.360 nan 0.000 0.458 465 L N 0.408 121.637 121.223 0.009 0.000 2.083 465 L HA -0.182 4.156 4.340 -0.003 0.000 0.209 465 L C 2.774 179.652 176.870 0.013 0.000 1.083 465 L CA 1.047 55.906 54.840 0.031 0.000 0.752 465 L CB -0.311 41.805 42.059 0.096 0.000 0.899 465 L HN 0.069 nan 8.230 nan 0.000 0.433 466 R N 0.566 121.073 120.500 0.012 0.000 2.081 466 R HA -0.121 4.217 4.340 -0.003 0.000 0.235 466 R C 2.326 178.616 176.300 -0.017 0.000 1.131 466 R CA 1.518 57.619 56.100 0.002 0.000 0.960 466 R CB -0.287 30.013 30.300 0.000 0.000 0.856 466 R HN 0.193 nan 8.270 nan 0.000 0.436 467 R N -0.169 120.316 120.500 -0.024 0.000 2.096 467 R HA -0.036 4.302 4.340 -0.003 0.000 0.235 467 R C 1.249 177.521 176.300 -0.046 0.000 1.127 467 R CA 1.490 57.571 56.100 -0.032 0.000 0.968 467 R CB -0.316 29.964 30.300 -0.033 0.000 0.861 467 R HN 0.247 nan 8.270 nan 0.000 0.440 468 N N 0.786 119.451 118.700 -0.058 0.000 2.461 468 N HA -0.047 4.691 4.740 -0.003 0.000 0.188 468 N C -0.489 174.956 175.510 -0.109 0.000 1.134 468 N CA 0.388 53.383 53.050 -0.092 0.000 0.878 468 N CB 0.188 38.612 38.487 -0.105 0.000 0.972 468 N HN 0.185 nan 8.380 nan 0.000 0.456 469 E N -0.569 119.584 120.200 -0.079 0.000 2.513 469 E HA -0.263 4.085 4.350 -0.003 0.000 0.257 469 E C -0.249 176.349 176.600 -0.003 0.000 1.098 469 E CA 0.273 56.623 56.400 -0.082 0.000 0.752 469 E CB -1.575 27.980 29.700 -0.242 0.000 1.324 469 E HN 0.550 nan 8.360 nan 0.000 0.403 470 Q N -0.551 119.263 119.800 0.022 0.000 2.189 470 Q HA -0.010 4.328 4.340 -0.003 0.000 0.223 470 Q C 1.420 177.460 176.000 0.066 0.000 0.828 470 Q CA 0.278 56.118 55.803 0.062 0.000 0.967 470 Q CB 0.482 29.237 28.738 0.029 0.000 1.139 470 Q HN 0.372 nan 8.270 nan 0.000 0.497 471 D N 1.206 121.643 120.400 0.061 0.000 2.117 471 D HA -0.219 4.419 4.640 -0.003 0.000 0.197 471 D C 1.530 177.868 176.300 0.064 0.000 0.987 471 D CA 1.000 55.040 54.000 0.067 0.000 0.829 471 D CB -0.082 40.750 40.800 0.054 0.000 0.961 471 D HN 0.179 nan 8.370 nan 0.000 0.460 472 R N -0.265 120.271 120.500 0.060 0.000 2.090 472 R HA 0.008 4.346 4.340 -0.003 0.000 0.228 472 R C 2.502 178.825 176.300 0.039 0.000 1.110 472 R CA 0.385 56.513 56.100 0.046 0.000 0.973 472 R CB -0.393 29.934 30.300 0.045 0.000 0.869 472 R HN 0.149 nan 8.270 nan 0.000 0.440 473 L N 1.140 122.393 121.223 0.049 0.000 2.042 473 L HA -0.163 4.175 4.340 -0.003 0.000 0.210 473 L C 2.008 178.898 176.870 0.034 0.000 1.076 473 L CA 1.509 56.369 54.840 0.034 0.000 0.749 473 L CB -0.439 41.647 42.059 0.044 0.000 0.893 473 L HN 0.133 nan 8.230 nan 0.000 0.432 474 L N -1.584 119.667 121.223 0.047 0.000 2.007 474 L HA -0.082 4.256 4.340 -0.003 0.000 0.205 474 L C 2.277 179.164 176.870 0.029 0.000 1.073 474 L CA 1.817 56.682 54.840 0.042 0.000 0.744 474 L CB -0.656 41.445 42.059 0.070 0.000 0.898 474 L HN 0.054 nan 8.230 nan 0.000 0.435 475 V N -0.400 119.539 119.914 0.042 0.000 2.548 475 V HA -0.182 3.936 4.120 -0.003 0.000 0.249 475 V C 2.232 178.335 176.094 0.015 0.000 1.055 475 V CA 1.956 64.276 62.300 0.033 0.000 1.065 475 V CB -0.631 31.219 31.823 0.045 0.000 0.681 475 V HN 0.506 nan 8.190 nan 0.000 0.462 476 E N -1.137 119.071 120.200 0.013 0.000 2.431 476 E HA 0.114 4.462 4.350 -0.003 0.000 0.200 476 E C 1.587 178.184 176.600 -0.004 0.000 0.995 476 E CA 0.194 56.596 56.400 0.002 0.000 0.915 476 E CB 0.624 30.326 29.700 0.002 0.000 0.930 476 E HN 0.439 nan 8.360 nan 0.000 0.496 477 L N 0.171 121.394 121.223 -0.000 0.000 2.919 477 L HA 0.114 4.452 4.340 -0.003 0.000 0.169 477 L C 1.788 178.657 176.870 -0.001 0.000 1.228 477 L CA 0.572 55.410 54.840 -0.003 0.000 0.862 477 L CB 0.191 42.249 42.059 -0.002 0.000 1.313 477 L HN -0.214 nan 8.230 nan 0.000 0.526 478 E N 0.124 120.330 120.200 0.010 0.000 2.051 478 E HA -0.256 4.092 4.350 -0.003 0.000 0.192 478 E C 2.033 178.622 176.600 -0.019 0.000 0.991 478 E CA 1.590 57.996 56.400 0.010 0.000 0.799 478 E CB -0.256 29.467 29.700 0.039 0.000 0.748 478 E HN 0.608 nan 8.360 nan 0.000 0.449 479 Q N -0.324 119.460 119.800 -0.027 0.000 2.079 479 Q HA -0.093 4.245 4.340 -0.003 0.000 0.200 479 Q C -0.562 175.414 176.000 -0.040 0.000 0.974 479 Q CA 1.359 57.134 55.803 -0.047 0.000 0.840 479 Q CB -0.745 27.966 28.738 -0.045 0.000 0.898 479 Q HN 0.235 nan 8.270 nan 0.000 0.430 480 P HA -0.144 nan 4.420 nan 0.000 0.219 480 P C 1.198 178.480 177.300 -0.030 0.000 1.150 480 P CA 0.803 63.885 63.100 -0.030 0.000 0.814 480 P CB 0.036 31.722 31.700 -0.023 0.000 0.787 481 L N -0.550 120.657 121.223 -0.027 0.000 2.131 481 L HA -0.096 4.242 4.340 -0.003 0.000 0.210 481 L C 2.354 179.206 176.870 -0.030 0.000 1.092 481 L CA 1.843 56.666 54.840 -0.029 0.000 0.759 481 L CB -1.506 40.538 42.059 -0.025 0.000 0.903 481 L HN -0.103 nan 8.230 nan 0.000 0.435 482 S N -1.304 114.376 115.700 -0.033 0.000 2.370 482 S HA -0.205 4.263 4.470 -0.003 0.000 0.226 482 S C 2.074 176.659 174.600 -0.024 0.000 1.033 482 S CA 1.760 59.940 58.200 -0.033 0.000 1.011 482 S CB -0.359 62.804 63.200 -0.062 0.000 0.852 482 S HN 0.677 nan 8.310 nan 0.000 0.457 483 S N 0.972 116.651 115.700 -0.034 0.000 2.406 483 S HA 0.112 4.580 4.470 -0.003 0.000 0.228 483 S C 1.720 176.313 174.600 -0.012 0.000 1.020 483 S CA 1.116 59.296 58.200 -0.034 0.000 0.965 483 S CB -0.333 62.840 63.200 -0.046 0.000 0.798 483 S HN 0.533 nan 8.310 nan 0.000 0.488 484 I N 1.349 121.912 120.570 -0.011 0.000 2.252 484 I HA -0.142 4.026 4.170 -0.003 0.000 0.245 484 I C 1.982 178.112 176.117 0.022 0.000 1.102 484 I CA 1.035 62.333 61.300 -0.003 0.000 1.385 484 I CB -0.355 37.632 38.000 -0.021 0.000 1.064 484 I HN 0.229 nan 8.210 nan 0.000 0.414 485 L N 0.576 121.811 121.223 0.021 0.000 2.083 485 L HA -0.197 4.141 4.340 -0.003 0.000 0.209 485 L C 2.865 179.852 176.870 0.195 0.000 1.083 485 L CA 1.228 56.119 54.840 0.085 0.000 0.752 485 L CB -0.740 41.367 42.059 0.080 0.000 0.899 485 L HN 0.244 nan 8.230 nan 0.000 0.433 486 A N 0.174 123.072 122.820 0.130 0.000 1.902 486 A HA -0.220 4.098 4.320 -0.003 0.000 0.217 486 A C 2.168 179.862 177.584 0.184 0.000 1.181 486 A CA 1.702 53.826 52.037 0.145 0.000 0.623 486 A CB -0.403 18.614 19.000 0.028 0.000 0.818 486 A HN 0.478 nan 8.150 nan 0.000 0.443 487 E N -0.625 119.646 120.200 0.119 0.000 2.072 487 E HA -0.179 4.169 4.350 -0.003 0.000 0.191 487 E C 2.096 178.793 176.600 0.162 0.000 0.985 487 E CA 1.428 57.902 56.400 0.123 0.000 0.801 487 E CB -0.314 29.416 29.700 0.049 0.000 0.750 487 E HN 0.670 nan 8.360 nan 0.000 0.452 488 M N 0.773 120.473 119.600 0.168 0.000 2.086 488 M HA -0.190 4.288 4.480 -0.003 0.000 0.261 488 M C 2.118 178.587 176.300 0.281 0.000 1.067 488 M CA 1.614 57.033 55.300 0.198 0.000 1.116 488 M CB -0.216 32.516 32.600 0.219 0.000 1.348 488 M HN 0.048 nan 8.290 nan 0.000 0.407 489 E N -0.196 120.244 120.200 0.400 0.000 2.051 489 E HA -0.212 4.136 4.350 -0.003 0.000 0.192 489 E C 1.830 178.758 176.600 0.548 0.000 0.991 489 E CA 1.324 58.017 56.400 0.489 0.000 0.799 489 E CB -0.304 29.776 29.700 0.633 0.000 0.748 489 E HN 0.389 nan 8.360 nan 0.000 0.449 490 F N 1.549 121.689 119.950 0.317 0.000 2.171 490 F HA -0.137 4.388 4.527 -0.003 0.000 0.300 490 F C 2.180 178.006 175.800 0.043 0.000 1.090 490 F CA 1.259 59.322 58.000 0.105 0.000 1.293 490 F CB -0.381 38.561 39.000 -0.098 0.000 1.013 490 F HN -0.061 nan 8.300 nan 0.000 0.486 491 A N 0.231 123.022 122.820 -0.047 0.000 1.902 491 A HA 0.276 4.594 4.320 -0.003 0.000 0.217 491 A C 1.720 179.204 177.584 -0.166 0.000 1.181 491 A CA 1.327 53.239 52.037 -0.208 0.000 0.623 491 A CB -1.541 17.339 19.000 -0.200 0.000 0.818 491 A HN 1.000 nan 8.150 nan 0.000 0.443 492 G N -2.524 106.211 108.800 -0.108 0.000 2.855 492 G HA2 0.014 3.972 3.960 -0.003 0.000 0.352 492 G HA3 0.014 3.972 3.960 -0.003 0.000 0.352 492 G C -0.475 174.300 174.900 -0.208 0.000 1.415 492 G CA -0.310 44.560 45.100 -0.383 0.000 0.871 492 G HN 1.182 nan 8.290 nan 0.000 0.543 493 V N 0.459 120.255 119.914 -0.198 0.000 2.588 493 V HA 0.597 4.715 4.120 -0.003 0.000 0.304 493 V C 0.392 176.452 176.094 -0.058 0.000 1.042 493 V CA -0.787 61.491 62.300 -0.037 0.000 0.877 493 V CB 1.760 33.648 31.823 0.108 0.000 0.996 493 V HN 0.991 nan 8.190 nan 0.000 0.425 494 K N 3.315 123.694 120.400 -0.034 0.000 2.350 494 K HA 0.461 4.779 4.320 -0.003 0.000 0.279 494 K C -0.904 175.653 176.600 -0.072 0.000 1.027 494 K CA 0.146 56.397 56.287 -0.060 0.000 0.969 494 K CB 0.956 33.428 32.500 -0.047 0.000 0.954 494 K HN 0.466 nan 8.250 nan 0.000 0.474 495 V N 4.010 123.845 119.914 -0.131 0.000 2.495 495 V HA 0.167 4.285 4.120 -0.003 0.000 0.298 495 V C -0.604 175.400 176.094 -0.150 0.000 1.031 495 V CA -0.946 61.220 62.300 -0.225 0.000 0.871 495 V CB 1.670 33.319 31.823 -0.289 0.000 0.988 495 V HN 0.791 nan 8.190 nan 0.000 0.432 496 D N 3.394 123.709 120.400 -0.142 0.000 2.483 496 D HA 0.069 4.707 4.640 -0.003 0.000 0.220 496 D C 1.532 177.773 176.300 -0.098 0.000 1.173 496 D CA 0.281 54.229 54.000 -0.087 0.000 0.964 496 D CB 1.186 41.953 40.800 -0.056 0.000 1.046 496 D HN 0.763 nan 8.370 nan 0.000 0.517 497 T N 0.734 115.235 114.554 -0.088 0.000 2.833 497 T HA -0.158 4.190 4.350 -0.003 0.000 0.269 497 T C 1.700 176.366 174.700 -0.056 0.000 1.054 497 T CA 0.850 62.904 62.100 -0.077 0.000 1.135 497 T CB 0.042 68.873 68.868 -0.062 0.000 0.869 497 T HN 0.256 nan 8.240 nan 0.000 0.466 498 K N 0.312 120.684 120.400 -0.047 0.000 2.097 498 K HA 0.018 4.336 4.320 -0.003 0.000 0.206 498 K C 2.786 179.363 176.600 -0.039 0.000 1.049 498 K CA 0.686 56.951 56.287 -0.037 0.000 0.933 498 K CB -0.145 32.337 32.500 -0.030 0.000 0.717 498 K HN 0.105 nan 8.250 nan 0.000 0.442 499 R N 1.448 121.921 120.500 -0.045 0.000 2.073 499 R HA -0.054 4.284 4.340 -0.003 0.000 0.234 499 R C 2.179 178.450 176.300 -0.048 0.000 1.134 499 R CA 1.256 57.329 56.100 -0.046 0.000 0.952 499 R CB -0.671 29.599 30.300 -0.049 0.000 0.850 499 R HN 0.226 nan 8.270 nan 0.000 0.433 500 L N 0.542 121.731 121.223 -0.056 0.000 2.046 500 L HA -0.178 4.160 4.340 -0.003 0.000 0.208 500 L C 2.321 179.170 176.870 -0.035 0.000 1.077 500 L CA 1.595 56.407 54.840 -0.047 0.000 0.747 500 L CB -0.373 41.649 42.059 -0.062 0.000 0.896 500 L HN 0.264 nan 8.230 nan 0.000 0.432 501 E N -0.676 119.502 120.200 -0.036 0.000 2.110 501 E HA -0.288 4.060 4.350 -0.003 0.000 0.193 501 E C 2.091 178.675 176.600 -0.027 0.000 0.988 501 E CA 1.020 57.403 56.400 -0.029 0.000 0.804 501 E CB 0.002 29.685 29.700 -0.028 0.000 0.745 501 E HN 0.311 nan 8.360 nan 0.000 0.458 502 Q N 0.686 120.468 119.800 -0.029 0.000 2.046 502 Q HA -0.099 4.239 4.340 -0.003 0.000 0.200 502 Q C 1.966 177.949 176.000 -0.028 0.000 0.975 502 Q CA 1.596 57.382 55.803 -0.028 0.000 0.836 502 Q CB -0.061 28.659 28.738 -0.030 0.000 0.896 502 Q HN 0.271 nan 8.270 nan 0.000 0.428 503 M N -1.020 118.562 119.600 -0.031 0.000 2.117 503 M HA -0.082 4.396 4.480 -0.003 0.000 0.262 503 M C 2.092 178.376 176.300 -0.025 0.000 1.065 503 M CA 1.624 56.906 55.300 -0.030 0.000 1.114 503 M CB -0.737 31.845 32.600 -0.029 0.000 1.361 503 M HN 0.392 nan 8.290 nan 0.000 0.408 504 G N 0.688 109.474 108.800 -0.023 0.000 2.440 504 G HA2 -0.260 3.698 3.960 -0.003 0.000 0.218 504 G HA3 -0.260 3.698 3.960 -0.003 0.000 0.218 504 G C 1.570 176.454 174.900 -0.026 0.000 1.154 504 G CA 1.210 46.296 45.100 -0.023 0.000 0.767 504 G HN 0.443 nan 8.290 nan 0.000 0.552 505 K N 0.453 120.839 120.400 -0.024 0.000 2.032 505 K HA -0.128 4.190 4.320 -0.003 0.000 0.209 505 K C 2.400 178.987 176.600 -0.023 0.000 1.048 505 K CA 1.685 57.959 56.287 -0.022 0.000 0.927 505 K CB -0.211 32.278 32.500 -0.019 0.000 0.712 505 K HN 0.409 nan 8.250 nan 0.000 0.441 506 E N 0.598 120.783 120.200 -0.024 0.000 2.051 506 E HA -0.186 4.162 4.350 -0.003 0.000 0.192 506 E C 2.121 178.704 176.600 -0.029 0.000 0.991 506 E CA 1.386 57.772 56.400 -0.023 0.000 0.799 506 E CB -0.068 29.619 29.700 -0.022 0.000 0.748 506 E HN 0.292 nan 8.360 nan 0.000 0.449 507 L N 0.391 121.592 121.223 -0.036 0.000 2.046 507 L HA -0.191 4.147 4.340 -0.003 0.000 0.208 507 L C 2.547 179.379 176.870 -0.063 0.000 1.077 507 L CA 0.926 55.733 54.840 -0.054 0.000 0.747 507 L CB -0.448 41.577 42.059 -0.056 0.000 0.896 507 L HN 0.178 nan 8.230 nan 0.000 0.432 508 A N -0.214 122.578 122.820 -0.047 0.000 1.940 508 A HA -0.270 4.048 4.320 -0.003 0.000 0.219 508 A C 2.148 179.713 177.584 -0.033 0.000 1.176 508 A CA 1.988 54.001 52.037 -0.041 0.000 0.631 508 A CB -0.411 18.572 19.000 -0.028 0.000 0.814 508 A HN 0.410 nan 8.150 nan 0.000 0.446 509 E N 0.018 120.201 120.200 -0.028 0.000 2.028 509 E HA -0.194 4.154 4.350 -0.003 0.000 0.191 509 E C 2.190 178.775 176.600 -0.024 0.000 0.988 509 E CA 1.821 58.210 56.400 -0.020 0.000 0.799 509 E CB -0.328 29.364 29.700 -0.015 0.000 0.755 509 E HN 0.704 nan 8.360 nan 0.000 0.447 510 Q N -0.184 119.594 119.800 -0.036 0.000 2.084 510 Q HA -0.133 4.205 4.340 -0.003 0.000 0.202 510 Q C 2.441 178.394 176.000 -0.078 0.000 0.978 510 Q CA 1.432 57.205 55.803 -0.050 0.000 0.844 510 Q CB -0.173 28.525 28.738 -0.068 0.000 0.898 510 Q HN 0.332 nan 8.270 nan 0.000 0.426 511 L N -0.160 121.008 121.223 -0.092 0.000 2.042 511 L HA -0.170 4.168 4.340 -0.003 0.000 0.210 511 L C 2.390 179.261 176.870 0.002 0.000 1.076 511 L CA 1.228 56.025 54.840 -0.072 0.000 0.749 511 L CB -0.767 41.225 42.059 -0.111 0.000 0.893 511 L HN 0.359 nan 8.230 nan 0.000 0.432 512 G N -1.174 107.619 108.800 -0.011 0.000 2.422 512 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.218 512 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.218 512 G C 1.560 176.446 174.900 -0.023 0.000 1.146 512 G CA 1.261 46.357 45.100 -0.006 0.000 0.769 512 G HN 0.292 nan 8.290 nan 0.000 0.547 513 T N 0.991 115.534 114.554 -0.019 0.000 2.701 513 T HA -0.134 4.214 4.350 -0.003 0.000 0.263 513 T C 2.711 177.393 174.700 -0.029 0.000 1.040 513 T CA 1.941 64.032 62.100 -0.015 0.000 1.147 513 T CB -0.483 68.387 68.868 0.003 0.000 0.865 513 T HN 0.317 nan 8.240 nan 0.000 0.426 514 V N 0.564 120.463 119.914 -0.024 0.000 2.515 514 V HA -0.078 4.040 4.120 -0.003 0.000 0.250 514 V C 2.245 178.257 176.094 -0.136 0.000 1.058 514 V CA 1.869 64.155 62.300 -0.022 0.000 1.064 514 V CB -0.769 31.062 31.823 0.014 0.000 0.675 514 V HN 0.451 nan 8.190 nan 0.000 0.461 515 E N -0.181 119.914 120.200 -0.176 0.000 2.051 515 E HA -0.259 4.089 4.350 -0.003 0.000 0.192 515 E C 2.391 178.562 176.600 -0.715 0.000 0.991 515 E CA 1.709 57.807 56.400 -0.503 0.000 0.799 515 E CB -0.114 29.401 29.700 -0.308 0.000 0.748 515 E HN 0.629 nan 8.360 nan 0.000 0.449 516 Q N 0.255 119.858 119.800 -0.329 0.000 2.124 516 Q HA -0.176 4.162 4.340 -0.003 0.000 0.202 516 Q C 2.204 178.131 176.000 -0.121 0.000 0.977 516 Q CA 1.180 56.887 55.803 -0.159 0.000 0.850 516 Q CB -0.431 28.295 28.738 -0.020 0.000 0.901 516 Q HN 0.083 nan 8.270 nan 0.000 0.429 517 R N 1.007 121.439 120.500 -0.113 0.000 2.096 517 R HA -0.030 4.308 4.340 -0.003 0.000 0.235 517 R C 2.104 178.370 176.300 -0.056 0.000 1.127 517 R CA 1.110 57.181 56.100 -0.047 0.000 0.968 517 R CB -0.622 29.666 30.300 -0.019 0.000 0.861 517 R HN 0.280 nan 8.270 nan 0.000 0.440 518 I N -0.354 120.107 120.570 -0.181 0.000 2.226 518 I HA -0.282 3.886 4.170 -0.003 0.000 0.245 518 I C 1.552 177.682 176.117 0.022 0.000 1.100 518 I CA 1.166 62.378 61.300 -0.147 0.000 1.374 518 I CB -0.347 37.434 38.000 -0.366 0.000 1.057 518 I HN 0.152 nan 8.210 nan 0.000 0.413 519 Y N 0.764 121.058 120.300 -0.009 0.000 2.293 519 Y HA -0.218 4.330 4.550 -0.003 0.000 0.291 519 Y C 2.514 178.450 175.900 0.060 0.000 1.137 519 Y CA 1.025 59.154 58.100 0.049 0.000 1.202 519 Y CB -0.973 37.478 38.460 -0.014 0.000 0.990 519 Y HN 0.192 nan 8.280 nan 0.000 0.537 520 E N 0.789 121.094 120.200 0.175 0.000 2.023 520 E HA -0.162 4.186 4.350 -0.003 0.000 0.196 520 E C 1.972 178.641 176.600 0.114 0.000 1.003 520 E CA 1.550 58.020 56.400 0.117 0.000 0.809 520 E CB -0.631 29.113 29.700 0.073 0.000 0.755 520 E HN 0.457 nan 8.360 nan 0.000 0.449 521 L N -0.290 121.004 121.223 0.118 0.000 2.201 521 L HA -0.016 4.322 4.340 -0.003 0.000 0.212 521 L C 2.361 179.311 176.870 0.133 0.000 1.105 521 L CA 0.922 55.855 54.840 0.155 0.000 0.775 521 L CB -0.401 41.772 42.059 0.190 0.000 0.913 521 L HN 0.196 nan 8.230 nan 0.000 0.440 522 A N -0.513 122.381 122.820 0.124 0.000 2.072 522 A HA 0.240 4.558 4.320 -0.003 0.000 0.216 522 A C 1.908 179.522 177.584 0.050 0.000 1.156 522 A CA 0.922 52.997 52.037 0.063 0.000 0.701 522 A CB -0.310 18.810 19.000 0.200 0.000 0.816 522 A HN 0.482 nan 8.150 nan 0.000 0.458 523 G N -1.220 107.636 108.800 0.094 0.000 2.159 523 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.256 523 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.256 523 G C -0.025 174.908 174.900 0.055 0.000 0.977 523 G CA 0.852 45.989 45.100 0.061 0.000 0.652 523 G HN 1.579 nan 8.290 nan 0.000 0.531 524 Q N -1.424 118.434 119.800 0.098 0.000 2.776 524 Q HA 0.591 4.929 4.340 -0.003 0.000 0.289 524 Q C -1.353 174.703 176.000 0.093 0.000 0.912 524 Q CA -1.064 54.774 55.803 0.058 0.000 0.789 524 Q CB 0.715 29.466 28.738 0.022 0.000 1.498 524 Q HN 0.284 nan 8.270 nan 0.000 0.408 525 E N 0.987 121.096 120.200 -0.153 0.000 2.277 525 E HA 0.670 5.018 4.350 -0.003 0.000 0.274 525 E C -0.838 175.679 176.600 -0.138 0.000 1.022 525 E CA -0.493 55.519 56.400 -0.648 0.000 0.853 525 E CB 1.142 30.302 29.700 -0.901 0.000 1.086 525 E HN 0.475 nan 8.360 nan 0.000 0.397 526 F N -1.180 118.579 119.950 -0.319 0.000 2.773 526 F HA 0.318 4.843 4.527 -0.003 0.000 0.314 526 F C -1.012 174.807 175.800 0.031 0.000 1.160 526 F CA -1.452 56.497 58.000 -0.086 0.000 0.920 526 F CB 0.778 39.761 39.000 -0.029 0.000 1.323 526 F HN 0.153 nan 8.300 nan 0.000 0.457 527 N N 2.171 120.911 118.700 0.066 0.000 2.402 527 N HA 0.231 4.969 4.740 -0.003 0.000 0.259 527 N C 0.923 176.422 175.510 -0.019 0.000 1.167 527 N CA 0.066 53.111 53.050 -0.008 0.000 0.949 527 N CB 0.420 38.946 38.487 0.066 0.000 1.212 527 N HN 0.800 nan 8.380 nan 0.000 0.493 528 I N 2.089 122.482 120.570 -0.293 0.000 2.264 528 I HA -0.255 3.913 4.170 -0.003 0.000 0.248 528 I C 1.300 177.451 176.117 0.056 0.000 1.111 528 I CA 0.778 61.931 61.300 -0.245 0.000 1.382 528 I CB -0.127 37.461 38.000 -0.686 0.000 1.060 528 I HN 0.417 nan 8.210 nan 0.000 0.418 529 N N 0.741 119.505 118.700 0.108 0.000 2.501 529 N HA -0.033 4.705 4.740 -0.003 0.000 0.195 529 N C 0.411 175.993 175.510 0.119 0.000 1.213 529 N CA 0.346 53.486 53.050 0.149 0.000 0.864 529 N CB 0.110 38.683 38.487 0.143 0.000 0.999 529 N HN 0.103 nan 8.380 nan 0.000 0.454 530 S N 0.914 116.692 115.700 0.130 0.000 2.532 530 S HA 0.365 4.833 4.470 -0.003 0.000 0.318 530 S C -1.773 172.916 174.600 0.148 0.000 1.083 530 S CA -1.735 56.541 58.200 0.127 0.000 1.131 530 S CB 1.305 64.581 63.200 0.126 0.000 0.973 530 S HN -0.116 nan 8.310 nan 0.000 0.468 531 P HA -0.155 nan 4.420 nan 0.000 0.217 531 P C 1.309 178.708 177.300 0.166 0.000 1.148 531 P CA 0.974 64.164 63.100 0.150 0.000 0.828 531 P CB 0.211 31.988 31.700 0.129 0.000 0.783 532 K N -0.083 120.398 120.400 0.135 0.000 2.001 532 K HA -0.184 4.134 4.320 -0.003 0.000 0.208 532 K C 2.162 178.843 176.600 0.135 0.000 1.048 532 K CA 1.480 57.845 56.287 0.130 0.000 0.932 532 K CB -0.312 32.240 32.500 0.086 0.000 0.715 532 K HN 0.093 nan 8.250 nan 0.000 0.437 533 Q N 0.387 120.265 119.800 0.130 0.000 2.084 533 Q HA -0.172 4.166 4.340 -0.003 0.000 0.202 533 Q C 2.194 178.231 176.000 0.062 0.000 0.978 533 Q CA 1.297 57.174 55.803 0.122 0.000 0.844 533 Q CB -0.134 28.732 28.738 0.212 0.000 0.898 533 Q HN 0.255 nan 8.270 nan 0.000 0.426 534 L N 0.557 121.871 121.223 0.152 0.000 2.046 534 L HA -0.066 4.272 4.340 -0.003 0.000 0.208 534 L C 2.088 178.903 176.870 -0.091 0.000 1.077 534 L CA 2.256 57.142 54.840 0.077 0.000 0.747 534 L CB -1.016 41.157 42.059 0.190 0.000 0.896 534 L HN 0.171 nan 8.230 nan 0.000 0.432 535 G N -1.085 107.761 108.800 0.077 0.000 2.442 535 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.219 535 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.219 535 G C 1.517 176.422 174.900 0.009 0.000 1.141 535 G CA 1.120 46.334 45.100 0.190 0.000 0.763 535 G HN 0.352 nan 8.290 nan 0.000 0.554 536 V N 1.439 121.377 119.914 0.040 0.000 2.358 536 V HA -0.128 3.990 4.120 -0.003 0.000 0.246 536 V C 2.794 178.753 176.094 -0.224 0.000 1.047 536 V CA 1.044 63.331 62.300 -0.023 0.000 1.035 536 V CB -0.326 31.496 31.823 -0.001 0.000 0.658 536 V HN 0.266 nan 8.190 nan 0.000 0.452 537 I N -0.184 120.160 120.570 -0.377 0.000 2.142 537 I HA -0.218 3.950 4.170 -0.003 0.000 0.240 537 I C 2.375 178.197 176.117 -0.493 0.000 1.078 537 I CA 1.897 62.887 61.300 -0.516 0.000 1.343 537 I CB -1.047 36.409 38.000 -0.907 0.000 1.046 537 I HN 0.271 nan 8.210 nan 0.000 0.405 538 L N -0.597 120.256 121.223 -0.618 0.000 2.005 538 L HA -0.182 4.156 4.340 -0.003 0.000 0.207 538 L C 2.356 178.719 176.870 -0.844 0.000 1.072 538 L CA 1.472 55.814 54.840 -0.829 0.000 0.744 538 L CB -0.660 40.657 42.059 -1.237 0.000 0.895 538 L HN 0.101 nan 8.230 nan 0.000 0.433 539 F N -0.834 118.880 119.950 -0.394 0.000 2.754 539 F HA 0.085 4.610 4.527 -0.003 0.000 0.297 539 F C 2.133 177.720 175.800 -0.355 0.000 1.122 539 F CA 0.153 57.864 58.000 -0.482 0.000 1.400 539 F CB -0.156 38.272 39.000 -0.954 0.000 1.117 539 F HN 0.046 nan 8.300 nan 0.000 0.587 540 E N -0.082 120.015 120.200 -0.171 0.000 2.280 540 E HA 0.012 4.360 4.350 -0.003 0.000 0.197 540 E C 1.879 178.416 176.600 -0.104 0.000 0.913 540 E CA -0.002 56.347 56.400 -0.084 0.000 0.995 540 E CB 0.143 29.829 29.700 -0.024 0.000 0.991 540 E HN 0.106 nan 8.360 nan 0.000 0.484 541 K N 1.117 121.425 120.400 -0.152 0.000 2.031 541 K HA -0.013 4.305 4.320 -0.003 0.000 0.205 541 K C 1.836 178.351 176.600 -0.141 0.000 1.049 541 K CA 0.936 57.138 56.287 -0.142 0.000 0.939 541 K CB 0.136 32.527 32.500 -0.181 0.000 0.717 541 K HN 0.046 nan 8.250 nan 0.000 0.438 542 L N 0.693 121.793 121.223 -0.205 0.000 2.592 542 L HA 0.065 4.403 4.340 -0.003 0.000 0.227 542 L C 0.191 176.986 176.870 -0.125 0.000 1.127 542 L CA 0.010 54.739 54.840 -0.186 0.000 0.884 542 L CB 0.216 42.070 42.059 -0.341 0.000 1.065 542 L HN 0.278 nan 8.230 nan 0.000 0.457 543 Q N 0.163 119.889 119.800 -0.124 0.000 2.480 543 Q HA -0.195 4.143 4.340 -0.003 0.000 0.265 543 Q C -0.007 175.941 176.000 -0.087 0.000 1.072 543 Q CA 0.858 56.613 55.803 -0.080 0.000 1.018 543 Q CB -2.102 26.605 28.738 -0.051 0.000 1.433 543 Q HN 0.486 nan 8.270 nan 0.000 0.513 544 L N 1.888 123.046 121.223 -0.108 0.000 2.467 544 L HA 0.188 4.526 4.340 -0.003 0.000 0.270 544 L C -1.218 175.663 176.870 0.018 0.000 1.205 544 L CA -1.339 53.441 54.840 -0.100 0.000 0.828 544 L CB -0.246 41.749 42.059 -0.107 0.000 1.101 544 L HN -0.085 nan 8.230 nan 0.000 0.479 545 P HA 0.035 nan 4.420 nan 0.000 0.271 545 P C -0.727 176.536 177.300 -0.061 0.000 1.218 545 P CA -0.228 62.809 63.100 -0.105 0.000 0.780 545 P CB 1.003 32.581 31.700 -0.204 0.000 0.901 546 V N 4.926 124.732 119.914 -0.181 0.000 2.320 546 V HA 0.085 4.203 4.120 -0.003 0.000 0.265 546 V C 1.580 177.558 176.094 -0.193 0.000 1.048 546 V CA 0.078 62.148 62.300 -0.385 0.000 0.865 546 V CB 0.211 31.839 31.823 -0.326 0.000 1.043 546 V HN 0.472 nan 8.190 nan 0.000 0.474 547 L N 3.352 124.483 121.223 -0.154 0.000 2.513 547 L HA 0.356 4.694 4.340 -0.003 0.000 0.222 547 L C 0.908 177.749 176.870 -0.049 0.000 1.096 547 L CA 0.570 55.377 54.840 -0.056 0.000 0.857 547 L CB 0.116 42.179 42.059 0.007 0.000 1.026 547 L HN 0.525 nan 8.230 nan 0.000 0.469 548 K N 0.560 120.908 120.400 -0.088 0.000 2.557 548 K HA 0.431 4.749 4.320 -0.003 0.000 0.261 548 K C -1.494 175.065 176.600 -0.069 0.000 0.932 548 K CA -0.637 55.620 56.287 -0.050 0.000 0.829 548 K CB 2.257 34.753 32.500 -0.008 0.000 1.358 548 K HN -0.199 nan 8.250 nan 0.000 0.430 549 K N 1.155 121.529 120.400 -0.045 0.000 2.340 549 K HA 0.394 4.712 4.320 -0.003 0.000 0.244 549 K C -0.613 175.970 176.600 -0.029 0.000 0.973 549 K CA -0.926 55.335 56.287 -0.043 0.000 0.828 549 K CB 2.092 34.554 32.500 -0.063 0.000 1.226 549 K HN 0.785 nan 8.250 nan 0.000 0.437 550 T N -2.419 112.119 114.554 -0.027 0.000 2.936 550 T HA 0.178 4.526 4.350 -0.003 0.000 0.282 550 T C 1.112 175.789 174.700 -0.039 0.000 1.003 550 T CA -0.829 61.261 62.100 -0.018 0.000 1.005 550 T CB 1.189 70.060 68.868 0.004 0.000 1.097 550 T HN 0.707 nan 8.240 nan 0.000 0.532 551 K N -0.086 120.295 120.400 -0.031 0.000 2.218 551 K HA -0.165 4.153 4.320 -0.003 0.000 0.205 551 K C 1.627 178.199 176.600 -0.047 0.000 1.046 551 K CA 2.056 58.321 56.287 -0.036 0.000 0.933 551 K CB -0.848 31.636 32.500 -0.027 0.000 0.728 551 K HN 0.746 nan 8.250 nan 0.000 0.454 552 T N -4.068 110.458 114.554 -0.047 0.000 3.010 552 T HA 0.428 4.776 4.350 -0.003 0.000 0.257 552 T C 0.729 175.368 174.700 -0.102 0.000 1.020 552 T CA -0.058 62.006 62.100 -0.059 0.000 0.938 552 T CB 0.994 69.841 68.868 -0.034 0.000 1.049 552 T HN 0.439 nan 8.240 nan 0.000 0.522 553 G N 0.140 108.867 108.800 -0.123 0.000 2.474 553 G HA2 0.442 4.400 3.960 -0.003 0.000 0.234 553 G HA3 0.442 4.400 3.960 -0.003 0.000 0.234 553 G C -1.936 172.839 174.900 -0.210 0.000 1.204 553 G CA -0.991 43.964 45.100 -0.242 0.000 0.939 553 G HN 0.169 nan 8.290 nan 0.000 0.491 554 Y N 0.968 121.269 120.300 0.001 0.000 2.304 554 Y HA 0.627 5.175 4.550 -0.003 0.000 0.328 554 Y C 1.115 177.029 175.900 0.023 0.000 1.123 554 Y CA -0.261 57.802 58.100 -0.062 0.000 1.218 554 Y CB 1.646 40.114 38.460 0.014 0.000 1.207 554 Y HN 0.391 nan 8.280 nan 0.000 0.495 555 S N 1.033 116.807 115.700 0.123 0.000 2.565 555 S HA 0.291 4.759 4.470 -0.003 0.000 0.276 555 S C 0.639 175.385 174.600 0.244 0.000 1.326 555 S CA 0.018 58.298 58.200 0.133 0.000 1.045 555 S CB 0.178 63.417 63.200 0.064 0.000 0.918 555 S HN 0.854 nan 8.310 nan 0.000 0.505 556 T N 0.238 114.926 114.554 0.224 0.000 3.337 556 T HA 0.288 4.636 4.350 -0.003 0.000 0.299 556 T C 0.350 175.146 174.700 0.161 0.000 0.998 556 T CA -0.065 62.177 62.100 0.237 0.000 0.948 556 T CB -0.648 68.352 68.868 0.220 0.000 1.170 556 T HN 0.648 nan 8.240 nan 0.000 0.508 557 S N 0.772 116.552 115.700 0.133 0.000 2.576 557 S HA 0.595 5.063 4.470 -0.003 0.000 0.272 557 S C 1.915 176.575 174.600 0.101 0.000 1.352 557 S CA -0.219 58.043 58.200 0.103 0.000 1.021 557 S CB 0.872 64.122 63.200 0.083 0.000 0.887 557 S HN 0.555 nan 8.310 nan 0.000 0.542 558 A N 1.953 124.824 122.820 0.085 0.000 1.917 558 A HA -0.215 4.103 4.320 -0.003 0.000 0.219 558 A C 1.974 179.602 177.584 0.073 0.000 1.182 558 A CA 1.868 53.952 52.037 0.078 0.000 0.633 558 A CB -1.244 17.794 19.000 0.064 0.000 0.819 558 A HN 1.012 nan 8.150 nan 0.000 0.448 559 D N -0.034 120.405 120.400 0.065 0.000 2.182 559 D HA -0.128 4.510 4.640 -0.003 0.000 0.201 559 D C 1.813 178.158 176.300 0.076 0.000 0.986 559 D CA 1.683 55.719 54.000 0.060 0.000 0.847 559 D CB -0.751 40.081 40.800 0.052 0.000 0.942 559 D HN 0.310 nan 8.370 nan 0.000 0.467 560 V N 1.161 121.130 119.914 0.093 0.000 2.346 560 V HA -0.143 3.975 4.120 -0.003 0.000 0.244 560 V C 2.860 179.037 176.094 0.137 0.000 1.037 560 V CA 0.764 63.133 62.300 0.115 0.000 1.029 560 V CB -0.520 31.382 31.823 0.132 0.000 0.663 560 V HN 0.144 nan 8.190 nan 0.000 0.454 561 L N -0.237 121.066 121.223 0.134 0.000 2.079 561 L HA -0.181 4.157 4.340 -0.003 0.000 0.210 561 L C 2.762 179.698 176.870 0.109 0.000 1.081 561 L CA 1.376 56.292 54.840 0.126 0.000 0.752 561 L CB -0.741 41.383 42.059 0.107 0.000 0.896 561 L HN 0.356 nan 8.230 nan 0.000 0.433 562 E N 0.838 121.091 120.200 0.090 0.000 2.070 562 E HA -0.247 4.101 4.350 -0.003 0.000 0.197 562 E C 2.122 178.768 176.600 0.077 0.000 1.004 562 E CA 1.479 57.921 56.400 0.070 0.000 0.805 562 E CB -0.203 29.530 29.700 0.054 0.000 0.744 562 E HN 0.528 nan 8.360 nan 0.000 0.451 563 K N 0.295 120.753 120.400 0.097 0.000 2.283 563 K HA -0.023 4.295 4.320 -0.003 0.000 0.202 563 K C 2.170 178.879 176.600 0.181 0.000 1.048 563 K CA 0.604 56.961 56.287 0.115 0.000 0.948 563 K CB -0.023 32.550 32.500 0.122 0.000 0.742 563 K HN 0.118 nan 8.250 nan 0.000 0.458 564 L N -0.133 121.216 121.223 0.209 0.000 2.477 564 L HA 0.109 4.447 4.340 -0.003 0.000 0.220 564 L C 2.388 179.410 176.870 0.254 0.000 1.106 564 L CA 0.032 55.067 54.840 0.324 0.000 0.851 564 L CB -0.410 41.800 42.059 0.252 0.000 0.994 564 L HN 0.081 nan 8.230 nan 0.000 0.462 565 A N 1.607 124.506 122.820 0.132 0.000 1.915 565 A HA -0.188 4.131 4.320 -0.003 0.000 0.220 565 A C 0.033 177.639 177.584 0.036 0.000 1.198 565 A CA 2.042 54.128 52.037 0.081 0.000 0.647 565 A CB -1.844 17.183 19.000 0.045 0.000 0.825 565 A HN 0.286 nan 8.150 nan 0.000 0.456 566 P HA -0.155 nan 4.420 nan 0.000 0.218 566 P C 0.747 177.934 177.300 -0.188 0.000 1.148 566 P CA 1.175 64.165 63.100 -0.183 0.000 0.822 566 P CB -0.182 31.317 31.700 -0.336 0.000 0.784 567 Y N -2.898 117.429 120.300 0.045 0.000 2.314 567 Y HA 0.005 4.553 4.550 -0.003 0.000 0.293 567 Y C 1.501 177.454 175.900 0.089 0.000 1.129 567 Y CA 1.073 59.207 58.100 0.058 0.000 1.201 567 Y CB -0.193 38.310 38.460 0.072 0.000 0.999 567 Y HN 0.062 nan 8.280 nan 0.000 0.541 568 H N -0.888 118.260 119.070 0.130 0.000 3.086 568 H HA 0.120 4.674 4.556 -0.003 0.000 0.353 568 H C 0.135 175.486 175.328 0.037 0.000 1.134 568 H CA -0.548 55.539 56.048 0.066 0.000 1.248 568 H CB 1.658 31.448 29.762 0.046 0.000 1.878 568 H HN 0.181 nan 8.280 nan 0.000 0.527 569 E N 3.821 124.050 120.200 0.049 0.000 2.333 569 E HA -0.090 4.258 4.350 -0.003 0.000 0.198 569 E C 1.677 178.395 176.600 0.198 0.000 1.007 569 E CA 0.589 57.043 56.400 0.091 0.000 0.845 569 E CB 0.287 29.986 29.700 -0.003 0.000 0.766 569 E HN 0.616 nan 8.360 nan 0.000 0.507 570 I N -0.097 120.716 120.570 0.404 0.000 2.394 570 I HA -0.235 3.933 4.170 -0.003 0.000 0.251 570 I C 1.860 178.035 176.117 0.097 0.000 1.136 570 I CA 0.560 61.967 61.300 0.179 0.000 1.425 570 I CB 0.129 38.136 38.000 0.010 0.000 1.079 570 I HN 0.027 nan 8.210 nan 0.000 0.425 571 V N 2.343 122.320 119.914 0.105 0.000 2.255 571 V HA -0.340 3.778 4.120 -0.003 0.000 0.247 571 V C 2.472 178.616 176.094 0.083 0.000 1.051 571 V CA 2.501 64.847 62.300 0.077 0.000 1.018 571 V CB -1.186 30.693 31.823 0.094 0.000 0.641 571 V HN 0.633 nan 8.190 nan 0.000 0.445 572 E N 0.446 120.695 120.200 0.081 0.000 2.118 572 E HA -0.270 4.078 4.350 -0.003 0.000 0.195 572 E C 1.887 178.547 176.600 0.100 0.000 0.992 572 E CA 1.760 58.202 56.400 0.070 0.000 0.804 572 E CB -0.514 29.210 29.700 0.039 0.000 0.741 572 E HN 0.637 nan 8.360 nan 0.000 0.458 573 N N 0.781 119.543 118.700 0.103 0.000 2.188 573 N HA -0.085 4.653 4.740 -0.003 0.000 0.184 573 N C 1.906 177.498 175.510 0.137 0.000 1.018 573 N CA 1.088 54.214 53.050 0.127 0.000 0.858 573 N CB -0.029 38.504 38.487 0.077 0.000 0.989 573 N HN 0.248 nan 8.380 nan 0.000 0.426 574 I N 1.673 122.303 120.570 0.100 0.000 2.226 574 I HA -0.193 3.975 4.170 -0.003 0.000 0.245 574 I C 2.350 178.568 176.117 0.169 0.000 1.100 574 I CA 0.819 62.183 61.300 0.108 0.000 1.374 574 I CB -1.100 36.947 38.000 0.078 0.000 1.057 574 I HN 0.097 nan 8.210 nan 0.000 0.413 575 L N -0.409 120.901 121.223 0.145 0.000 2.046 575 L HA -0.254 4.084 4.340 -0.003 0.000 0.208 575 L C 2.723 179.705 176.870 0.187 0.000 1.077 575 L CA 1.432 56.357 54.840 0.142 0.000 0.747 575 L CB -0.801 41.322 42.059 0.107 0.000 0.896 575 L HN 0.349 nan 8.230 nan 0.000 0.432 576 H N -1.469 117.647 119.070 0.076 0.000 2.389 576 H HA -0.250 4.304 4.556 -0.003 0.000 0.299 576 H C 2.282 177.654 175.328 0.074 0.000 1.081 576 H CA 1.598 57.681 56.048 0.059 0.000 1.345 576 H CB 0.176 29.968 29.762 0.050 0.000 1.393 576 H HN 0.306 nan 8.280 nan 0.000 0.520 577 Y N 1.502 121.789 120.300 -0.022 0.000 2.181 577 Y HA -0.176 4.372 4.550 -0.003 0.000 0.288 577 Y C 2.565 178.431 175.900 -0.056 0.000 1.146 577 Y CA 1.286 59.321 58.100 -0.107 0.000 1.164 577 Y CB -0.092 38.312 38.460 -0.093 0.000 0.982 577 Y HN 0.039 nan 8.280 nan 0.000 0.515 578 R N 0.325 120.886 120.500 0.101 0.000 2.096 578 R HA -0.215 4.123 4.340 -0.003 0.000 0.235 578 R C 2.297 178.584 176.300 -0.023 0.000 1.127 578 R CA 1.753 57.875 56.100 0.038 0.000 0.968 578 R CB -0.676 29.688 30.300 0.106 0.000 0.861 578 R HN 0.579 nan 8.270 nan 0.000 0.440 579 Q N 0.794 120.600 119.800 0.011 0.000 2.016 579 Q HA -0.112 4.226 4.340 -0.003 0.000 0.200 579 Q C 2.234 178.212 176.000 -0.038 0.000 0.978 579 Q CA 1.261 57.076 55.803 0.021 0.000 0.833 579 Q CB -0.068 28.722 28.738 0.087 0.000 0.895 579 Q HN 0.280 nan 8.270 nan 0.000 0.427 580 L N 0.095 121.245 121.223 -0.122 0.000 2.046 580 L HA -0.098 4.240 4.340 -0.003 0.000 0.208 580 L C 2.560 179.308 176.870 -0.203 0.000 1.077 580 L CA 1.119 55.855 54.840 -0.174 0.000 0.747 580 L CB -0.913 40.973 42.059 -0.290 0.000 0.896 580 L HN 0.442 nan 8.230 nan 0.000 0.432 581 G N 0.208 108.807 108.800 -0.335 0.000 2.422 581 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.218 581 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.218 581 G C 1.663 176.469 174.900 -0.157 0.000 1.146 581 G CA 0.977 45.871 45.100 -0.343 0.000 0.769 581 G HN 0.204 nan 8.290 nan 0.000 0.547 582 K N -0.115 120.235 120.400 -0.084 0.000 2.026 582 K HA 0.015 4.333 4.320 -0.003 0.000 0.208 582 K C 2.333 178.976 176.600 0.071 0.000 1.048 582 K CA 0.757 57.044 56.287 0.000 0.000 0.929 582 K CB -0.580 31.958 32.500 0.062 0.000 0.713 582 K HN 0.188 nan 8.250 nan 0.000 0.439 583 L N 1.017 122.303 121.223 0.104 0.000 1.994 583 L HA -0.128 4.210 4.340 -0.003 0.000 0.208 583 L C 2.542 179.472 176.870 0.099 0.000 1.071 583 L CA 1.817 56.767 54.840 0.184 0.000 0.745 583 L CB -1.211 40.896 42.059 0.080 0.000 0.892 583 L HN 0.356 nan 8.230 nan 0.000 0.431 584 Q N -0.745 119.054 119.800 -0.001 0.000 2.002 584 Q HA -0.164 4.174 4.340 -0.003 0.000 0.204 584 Q C 2.354 178.332 176.000 -0.036 0.000 0.988 584 Q CA 2.517 58.302 55.803 -0.030 0.000 0.843 584 Q CB -0.316 28.374 28.738 -0.079 0.000 0.908 584 Q HN 0.432 nan 8.270 nan 0.000 0.420 585 S N -0.796 114.867 115.700 -0.063 0.000 2.355 585 S HA -0.094 4.374 4.470 -0.003 0.000 0.222 585 S C 1.951 176.490 174.600 -0.102 0.000 1.031 585 S CA 1.526 59.683 58.200 -0.072 0.000 0.993 585 S CB -0.456 62.699 63.200 -0.075 0.000 0.859 585 S HN 0.506 nan 8.310 nan 0.000 0.453 586 T N 0.428 114.882 114.554 -0.165 0.000 2.901 586 T HA 0.080 4.428 4.350 -0.003 0.000 0.252 586 T C 1.268 175.722 174.700 -0.410 0.000 1.035 586 T CA 0.902 62.788 62.100 -0.356 0.000 1.142 586 T CB -0.266 68.232 68.868 -0.617 0.000 0.869 586 T HN 0.403 nan 8.240 nan 0.000 0.442 587 Y N -0.046 120.265 120.300 0.018 0.000 2.510 587 Y HA 0.432 4.981 4.550 -0.003 0.000 0.273 587 Y C 1.819 177.739 175.900 0.035 0.000 1.119 587 Y CA -0.309 57.818 58.100 0.045 0.000 1.286 587 Y CB -0.076 38.413 38.460 0.049 0.000 1.061 587 Y HN 0.183 nan 8.280 nan 0.000 0.542 588 I N -0.713 119.926 120.570 0.115 0.000 2.962 588 I HA -0.079 4.089 4.170 -0.003 0.000 0.246 588 I C 1.832 177.958 176.117 0.015 0.000 1.091 588 I CA 0.554 61.888 61.300 0.056 0.000 1.469 588 I CB -0.011 38.007 38.000 0.029 0.000 1.324 588 I HN 0.036 nan 8.210 nan 0.000 0.461 589 E N 1.220 121.417 120.200 -0.005 0.000 2.072 589 E HA -0.132 4.216 4.350 -0.003 0.000 0.191 589 E C 2.160 178.747 176.600 -0.022 0.000 0.985 589 E CA 1.245 57.634 56.400 -0.019 0.000 0.801 589 E CB -0.300 29.384 29.700 -0.027 0.000 0.750 589 E HN 0.563 nan 8.360 nan 0.000 0.452 590 G N 1.646 110.426 108.800 -0.033 0.000 2.421 590 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.216 590 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.216 590 G C 1.614 176.509 174.900 -0.008 0.000 1.171 590 G CA 0.477 45.553 45.100 -0.040 0.000 0.775 590 G HN 0.067 nan 8.290 nan 0.000 0.543 591 L N -0.106 121.132 121.223 0.024 0.000 2.017 591 L HA 0.009 4.347 4.340 -0.003 0.000 0.208 591 L C 2.942 179.813 176.870 0.001 0.000 1.073 591 L CA 0.590 55.457 54.840 0.044 0.000 0.745 591 L CB -0.396 41.713 42.059 0.084 0.000 0.894 591 L HN 0.183 nan 8.230 nan 0.000 0.432 592 L N -0.302 120.914 121.223 -0.012 0.000 2.129 592 L HA -0.273 4.065 4.340 -0.003 0.000 0.212 592 L C 2.555 179.413 176.870 -0.021 0.000 1.087 592 L CA 1.385 56.210 54.840 -0.025 0.000 0.757 592 L CB -0.495 41.549 42.059 -0.025 0.000 0.896 592 L HN 0.261 nan 8.230 nan 0.000 0.434 593 K N -0.366 120.024 120.400 -0.016 0.000 2.211 593 K HA -0.104 4.214 4.320 -0.003 0.000 0.203 593 K C 1.632 178.223 176.600 -0.014 0.000 1.050 593 K CA 1.476 57.753 56.287 -0.016 0.000 0.945 593 K CB 0.029 32.518 32.500 -0.018 0.000 0.732 593 K HN 0.382 nan 8.250 nan 0.000 0.451 594 V N -2.430 117.478 119.914 -0.009 0.000 3.578 594 V HA 0.162 4.280 4.120 -0.003 0.000 0.290 594 V C 0.539 176.633 176.094 -0.001 0.000 1.376 594 V CA -0.525 61.772 62.300 -0.004 0.000 1.083 594 V CB 0.187 32.012 31.823 0.003 0.000 0.911 594 V HN -0.214 nan 8.190 nan 0.000 0.433 595 V N 3.136 123.043 119.914 -0.011 0.000 2.614 595 V HA 0.305 4.423 4.120 -0.003 0.000 0.291 595 V C 0.760 176.854 176.094 0.000 0.000 1.049 595 V CA -0.358 61.931 62.300 -0.018 0.000 1.038 595 V CB 0.739 32.536 31.823 -0.043 0.000 0.980 595 V HN 0.498 nan 8.190 nan 0.000 0.481 596 R N 5.736 126.253 120.500 0.028 0.000 2.316 596 R HA 0.174 4.512 4.340 -0.003 0.000 0.314 596 R C -1.810 174.503 176.300 0.022 0.000 1.069 596 R CA -1.641 54.485 56.100 0.044 0.000 0.959 596 R CB 0.565 30.938 30.300 0.120 0.000 0.987 596 R HN 0.476 nan 8.270 nan 0.000 0.446 597 P HA -0.203 nan 4.420 nan 0.000 0.216 597 P C 0.766 178.070 177.300 0.006 0.000 1.150 597 P CA 1.337 64.437 63.100 0.001 0.000 0.843 597 P CB 0.225 31.923 31.700 -0.003 0.000 0.787 598 D N -1.425 118.987 120.400 0.020 0.000 2.162 598 D HA -0.097 4.541 4.640 -0.003 0.000 0.203 598 D C 1.498 177.811 176.300 0.022 0.000 0.967 598 D CA 2.049 56.063 54.000 0.024 0.000 0.840 598 D CB -1.312 39.512 40.800 0.039 0.000 0.972 598 D HN 0.243 nan 8.370 nan 0.000 0.482 599 T N -3.906 110.669 114.554 0.035 0.000 2.990 599 T HA 0.239 4.587 4.350 -0.003 0.000 0.250 599 T C 0.627 175.321 174.700 -0.010 0.000 1.041 599 T CA -0.152 61.959 62.100 0.018 0.000 1.010 599 T CB 0.295 69.193 68.868 0.051 0.000 1.003 599 T HN -0.094 nan 8.240 nan 0.000 0.499 600 K N 0.607 121.001 120.400 -0.009 0.000 3.230 600 K HA -0.098 4.220 4.320 -0.003 0.000 0.285 600 K C -0.546 176.016 176.600 -0.064 0.000 1.196 600 K CA 0.672 56.937 56.287 -0.038 0.000 0.838 600 K CB -1.952 30.519 32.500 -0.048 0.000 1.262 600 K HN 0.599 nan 8.250 nan 0.000 0.492 601 K N -0.279 120.088 120.400 -0.055 0.000 2.221 601 K HA 0.664 4.982 4.320 -0.003 0.000 0.243 601 K C -0.220 176.278 176.600 -0.171 0.000 0.968 601 K CA -0.864 55.331 56.287 -0.152 0.000 0.846 601 K CB 2.155 34.505 32.500 -0.250 0.000 1.141 601 K HN 0.010 nan 8.250 nan 0.000 0.434 602 V N -0.948 118.821 119.914 -0.242 0.000 2.513 602 V HA 0.432 4.550 4.120 -0.003 0.000 0.299 602 V C -0.636 175.245 176.094 -0.355 0.000 1.035 602 V CA -0.685 61.520 62.300 -0.159 0.000 0.889 602 V CB 1.452 33.266 31.823 -0.016 0.000 0.988 602 V HN 0.717 nan 8.190 nan 0.000 0.440 603 H N 2.532 121.525 119.070 -0.128 0.000 2.786 603 H HA 0.388 4.942 4.556 -0.003 0.000 0.284 603 H C 0.268 175.475 175.328 -0.202 0.000 1.104 603 H CA -0.181 55.703 56.048 -0.275 0.000 1.339 603 H CB 1.701 31.050 29.762 -0.688 0.000 1.427 603 H HN 0.881 nan 8.280 nan 0.000 0.497 604 T N 2.556 117.083 114.554 -0.044 0.000 2.726 604 T HA 0.375 4.723 4.350 -0.003 0.000 0.294 604 T C 0.525 175.215 174.700 -0.017 0.000 1.013 604 T CA -0.297 61.739 62.100 -0.106 0.000 0.996 604 T CB 0.350 69.019 68.868 -0.333 0.000 1.016 604 T HN 0.425 nan 8.240 nan 0.000 0.529 605 I N 2.426 122.909 120.570 -0.145 0.000 2.447 605 I HA 0.321 4.490 4.170 -0.003 0.000 0.287 605 I C -1.047 174.985 176.117 -0.142 0.000 1.023 605 I CA -0.741 60.514 61.300 -0.074 0.000 1.083 605 I CB 1.493 39.385 38.000 -0.180 0.000 1.245 605 I HN 0.525 nan 8.210 nan 0.000 0.434 606 F N 4.914 124.942 119.950 0.129 0.000 2.421 606 F HA 0.233 4.758 4.527 -0.004 0.000 0.358 606 F C 0.918 176.759 175.800 0.069 0.000 1.115 606 F CA -0.405 57.649 58.000 0.090 0.000 1.160 606 F CB 0.359 39.409 39.000 0.084 0.000 1.123 606 F HN 0.403 nan 8.300 nan 0.000 0.508 607 N N 3.800 122.621 118.700 0.201 0.000 2.402 607 N HA -0.016 4.722 4.740 -0.003 0.000 0.252 607 N C 0.681 176.219 175.510 0.047 0.000 1.118 607 N CA 0.271 53.380 53.050 0.098 0.000 0.945 607 N CB 0.751 39.275 38.487 0.062 0.000 1.147 607 N HN 0.773 nan 8.380 nan 0.000 0.495 608 Q N 2.760 122.546 119.800 -0.024 0.000 2.425 608 Q HA 0.162 4.500 4.340 -0.003 0.000 0.204 608 Q C -0.187 175.531 176.000 -0.470 0.000 0.933 608 Q CA 0.247 55.978 55.803 -0.121 0.000 0.939 608 Q CB 0.338 29.034 28.738 -0.070 0.000 1.044 608 Q HN 0.619 nan 8.270 nan 0.000 0.513 609 A N 0.498 122.969 122.820 -0.582 0.000 2.956 609 A HA 0.319 4.637 4.320 -0.003 0.000 0.294 609 A C 0.054 177.228 177.584 -0.682 0.000 0.993 609 A CA -0.376 50.937 52.037 -1.207 0.000 1.032 609 A CB 0.153 18.780 19.000 -0.622 0.000 1.129 609 A HN 0.452 nan 8.150 nan 0.000 0.505 610 L N -0.506 120.493 121.223 -0.374 0.000 2.666 610 L HA 0.250 4.588 4.340 -0.003 0.000 0.184 610 L C 1.374 178.375 176.870 0.219 0.000 1.092 610 L CA 1.020 55.870 54.840 0.018 0.000 0.857 610 L CB 0.321 42.402 42.059 0.036 0.000 1.281 610 L HN 0.429 nan 8.230 nan 0.000 0.489 611 T N -1.731 112.957 114.554 0.224 0.000 2.932 611 T HA -0.044 4.304 4.350 -0.003 0.000 0.312 611 T C 0.610 175.486 174.700 0.292 0.000 1.071 611 T CA -0.065 62.180 62.100 0.241 0.000 1.128 611 T CB 0.938 69.925 68.868 0.199 0.000 0.984 611 T HN 0.386 nan 8.240 nan 0.000 0.549 612 Q N 0.944 120.858 119.800 0.189 0.000 2.444 612 Q HA 0.018 4.356 4.340 -0.003 0.000 0.206 612 Q C 1.906 177.951 176.000 0.076 0.000 0.948 612 Q CA 0.990 56.870 55.803 0.129 0.000 0.946 612 Q CB 0.121 28.931 28.738 0.121 0.000 1.027 612 Q HN 1.025 nan 8.270 nan 0.000 0.513 613 T N -5.153 109.459 114.554 0.095 0.000 3.040 613 T HA 0.301 4.649 4.350 -0.003 0.000 0.250 613 T C 1.310 176.049 174.700 0.065 0.000 1.058 613 T CA 0.535 62.669 62.100 0.057 0.000 0.988 613 T CB 0.861 69.758 68.868 0.049 0.000 0.993 613 T HN 0.303 nan 8.240 nan 0.000 0.519 614 G N 1.579 110.461 108.800 0.136 0.000 2.176 614 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.232 614 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.232 614 G C 0.184 175.196 174.900 0.187 0.000 0.986 614 G CA -0.328 44.875 45.100 0.172 0.000 0.643 614 G HN 0.636 nan 8.290 nan 0.000 0.522 615 R N -0.298 120.306 120.500 0.173 0.000 2.615 615 R HA 0.632 4.970 4.340 -0.003 0.000 0.270 615 R C 0.812 177.246 176.300 0.224 0.000 1.081 615 R CA -0.300 55.916 56.100 0.194 0.000 1.154 615 R CB 0.507 30.897 30.300 0.149 0.000 1.063 615 R HN 0.261 nan 8.270 nan 0.000 0.519 616 L N 0.449 121.823 121.223 0.252 0.000 2.416 616 L HA 0.354 4.692 4.340 -0.003 0.000 0.262 616 L C 0.476 177.533 176.870 0.313 0.000 1.093 616 L CA -0.344 54.628 54.840 0.221 0.000 0.801 616 L CB 1.490 43.640 42.059 0.152 0.000 1.191 616 L HN 0.746 nan 8.230 nan 0.000 0.459 617 S N -0.478 115.390 115.700 0.281 0.000 2.667 617 S HA 0.699 5.167 4.470 -0.003 0.000 0.292 617 S C -0.800 173.946 174.600 0.243 0.000 1.126 617 S CA -0.724 57.633 58.200 0.261 0.000 0.881 617 S CB 2.013 65.321 63.200 0.180 0.000 1.132 617 S HN 0.532 nan 8.310 nan 0.000 0.492 618 S N 0.646 116.429 115.700 0.138 0.000 2.547 618 S HA 0.811 5.279 4.470 -0.003 0.000 0.281 618 S C -0.800 173.779 174.600 -0.035 0.000 1.118 618 S CA -0.205 57.973 58.200 -0.037 0.000 0.947 618 S CB 1.159 64.302 63.200 -0.095 0.000 1.053 618 S HN 1.400 nan 8.310 nan 0.000 0.482 619 T N 0.619 115.121 114.554 -0.085 0.000 2.896 619 T HA 0.625 4.973 4.350 -0.003 0.000 0.297 619 T C -0.688 173.979 174.700 -0.056 0.000 1.108 619 T CA -0.766 61.308 62.100 -0.044 0.000 1.004 619 T CB 1.156 70.010 68.868 -0.024 0.000 1.159 619 T HN 0.705 nan 8.240 nan 0.000 0.499 620 E N 1.490 121.673 120.200 -0.028 0.000 2.197 620 E HA -0.129 4.219 4.350 -0.003 0.000 0.184 620 E C -2.350 174.244 176.600 -0.010 0.000 1.439 620 E CA 0.199 56.587 56.400 -0.019 0.000 0.688 620 E CB -0.813 28.871 29.700 -0.027 0.000 1.090 620 E HN 0.591 nan 8.360 nan 0.000 0.341 621 P HA 0.111 nan 4.420 nan 0.000 0.283 621 P C -0.595 176.713 177.300 0.014 0.000 1.278 621 P CA -0.676 62.439 63.100 0.026 0.000 0.834 621 P CB 0.846 32.593 31.700 0.079 0.000 1.150 622 N N 1.224 119.948 118.700 0.040 0.000 2.411 622 N HA 0.069 4.807 4.740 -0.003 0.000 0.259 622 N C 0.093 175.667 175.510 0.106 0.000 1.103 622 N CA -0.025 53.056 53.050 0.051 0.000 0.954 622 N CB -0.490 38.041 38.487 0.073 0.000 1.085 622 N HN 0.158 nan 8.380 nan 0.000 0.485 623 L N 2.995 124.264 121.223 0.076 0.000 2.700 623 L HA 0.261 4.599 4.340 -0.003 0.000 0.234 623 L C 1.249 178.228 176.870 0.182 0.000 1.156 623 L CA 0.590 55.508 54.840 0.131 0.000 0.946 623 L CB -0.339 41.764 42.059 0.074 0.000 1.216 623 L HN 0.669 nan 8.230 nan 0.000 0.493 624 Q N -0.046 119.849 119.800 0.158 0.000 2.282 624 Q HA 0.140 4.478 4.340 -0.003 0.000 0.206 624 Q C 0.363 176.464 176.000 0.169 0.000 0.878 624 Q CA 0.106 56.002 55.803 0.154 0.000 0.944 624 Q CB 0.358 29.154 28.738 0.097 0.000 1.100 624 Q HN 0.457 nan 8.270 nan 0.000 0.509 625 N N -0.391 118.411 118.700 0.170 0.000 2.466 625 N HA 0.069 4.807 4.740 -0.003 0.000 0.272 625 N C -0.536 175.030 175.510 0.093 0.000 1.455 625 N CA -0.236 52.907 53.050 0.156 0.000 0.875 625 N CB 0.347 38.958 38.487 0.206 0.000 1.372 625 N HN -0.073 nan 8.380 nan 0.000 0.492 626 I N 1.576 122.126 120.570 -0.034 0.000 2.618 626 I HA 0.232 4.400 4.170 -0.003 0.000 0.284 626 I C -1.793 174.070 176.117 -0.423 0.000 1.146 626 I CA -1.972 59.157 61.300 -0.285 0.000 1.425 626 I CB -0.272 37.475 38.000 -0.422 0.000 1.383 626 I HN -0.068 nan 8.210 nan 0.000 0.562 627 P HA 0.088 nan 4.420 nan 0.000 0.266 627 P C 0.642 177.756 177.300 -0.311 0.000 1.186 627 P CA 0.477 63.330 63.100 -0.411 0.000 0.767 627 P CB 1.014 32.443 31.700 -0.452 0.000 0.820 628 I N 0.908 121.349 120.570 -0.214 0.000 5.362 628 I HA 0.085 4.253 4.170 -0.003 0.000 0.359 628 I C 1.904 177.946 176.117 -0.126 0.000 1.172 628 I CA -0.058 61.125 61.300 -0.194 0.000 1.577 628 I CB 0.219 38.088 38.000 -0.217 0.000 1.845 628 I HN 0.111 nan 8.210 nan 0.000 0.632 629 R N 1.176 121.621 120.500 -0.092 0.000 2.070 629 R HA 0.060 4.398 4.340 -0.003 0.000 0.233 629 R C 0.381 176.649 176.300 -0.054 0.000 1.137 629 R CA 1.101 57.164 56.100 -0.061 0.000 0.945 629 R CB 0.027 30.302 30.300 -0.040 0.000 0.845 629 R HN 0.222 nan 8.270 nan 0.000 0.430 630 L N 1.124 122.317 121.223 -0.051 0.000 2.292 630 L HA 0.127 4.465 4.340 -0.003 0.000 0.284 630 L C 1.110 177.963 176.870 -0.029 0.000 1.065 630 L CA -0.495 54.325 54.840 -0.033 0.000 0.806 630 L CB 1.601 43.648 42.059 -0.021 0.000 1.175 630 L HN 0.122 nan 8.230 nan 0.000 0.431 631 E N 2.149 122.342 120.200 -0.012 0.000 2.130 631 E HA -0.248 4.100 4.350 -0.003 0.000 0.196 631 E C 1.487 178.101 176.600 0.023 0.000 0.998 631 E CA 1.878 58.289 56.400 0.018 0.000 0.806 631 E CB 0.267 29.980 29.700 0.022 0.000 0.738 631 E HN 0.674 nan 8.360 nan 0.000 0.459 632 E N -0.594 119.610 120.200 0.007 0.000 2.023 632 E HA -0.119 4.229 4.350 -0.003 0.000 0.196 632 E C 2.143 178.734 176.600 -0.016 0.000 1.003 632 E CA 1.531 57.933 56.400 0.003 0.000 0.809 632 E CB -0.962 28.749 29.700 0.019 0.000 0.755 632 E HN 0.409 nan 8.360 nan 0.000 0.449 633 G N 0.375 109.154 108.800 -0.036 0.000 2.422 633 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.218 633 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.218 633 G C 1.549 176.388 174.900 -0.102 0.000 1.140 633 G CA 0.659 45.707 45.100 -0.086 0.000 0.775 633 G HN 0.117 nan 8.290 nan 0.000 0.545 634 R N 0.687 121.152 120.500 -0.058 0.000 2.139 634 R HA -0.086 4.252 4.340 -0.003 0.000 0.243 634 R C 2.302 178.670 176.300 0.114 0.000 1.145 634 R CA 1.509 57.603 56.100 -0.010 0.000 0.976 634 R CB -0.193 30.128 30.300 0.035 0.000 0.866 634 R HN 0.279 nan 8.270 nan 0.000 0.449 635 K N 0.147 120.570 120.400 0.039 0.000 2.281 635 K HA -0.111 4.207 4.320 -0.003 0.000 0.203 635 K C 1.820 178.376 176.600 -0.074 0.000 1.046 635 K CA 0.761 56.970 56.287 -0.131 0.000 0.938 635 K CB -0.035 32.366 32.500 -0.165 0.000 0.737 635 K HN 0.225 nan 8.250 nan 0.000 0.458 636 I N 1.360 121.920 120.570 -0.017 0.000 2.335 636 I HA -0.270 3.898 4.170 -0.003 0.000 0.251 636 I C 1.909 178.134 176.117 0.180 0.000 1.129 636 I CA 1.512 62.842 61.300 0.049 0.000 1.402 636 I CB -0.759 37.252 38.000 0.018 0.000 1.069 636 I HN 0.205 nan 8.210 nan 0.000 0.424 637 R N 0.433 121.012 120.500 0.132 0.000 2.285 637 R HA -0.139 4.199 4.340 -0.003 0.000 0.213 637 R C 1.967 178.490 176.300 0.373 0.000 1.068 637 R CA 0.585 56.830 56.100 0.240 0.000 1.004 637 R CB -0.191 30.041 30.300 -0.114 0.000 0.873 637 R HN 0.571 nan 8.270 nan 0.000 0.467 638 Q N -0.101 119.803 119.800 0.173 0.000 2.369 638 Q HA -0.012 4.326 4.340 -0.003 0.000 0.206 638 Q C 1.831 177.901 176.000 0.116 0.000 0.963 638 Q CA 1.076 56.935 55.803 0.093 0.000 0.894 638 Q CB 0.140 28.787 28.738 -0.151 0.000 0.965 638 Q HN 0.325 nan 8.270 nan 0.000 0.475 639 A N 0.221 123.109 122.820 0.115 0.000 2.119 639 A HA 0.026 4.344 4.320 -0.003 0.000 0.216 639 A C 0.173 177.685 177.584 -0.119 0.000 1.152 639 A CA 0.214 52.226 52.037 -0.042 0.000 0.708 639 A CB 0.047 18.952 19.000 -0.157 0.000 0.805 639 A HN 0.170 nan 8.150 nan 0.000 0.460 640 F N 0.593 120.653 119.950 0.183 0.000 2.371 640 F HA 0.453 4.978 4.527 -0.003 0.000 0.363 640 F C 0.382 176.292 175.800 0.183 0.000 1.122 640 F CA -0.616 57.512 58.000 0.214 0.000 1.129 640 F CB 1.256 40.500 39.000 0.407 0.000 1.173 640 F HN 0.065 nan 8.300 nan 0.000 0.489 641 V N 1.657 121.694 119.914 0.206 0.000 3.113 641 V HA 0.760 4.878 4.120 -0.003 0.000 0.316 641 V C -2.829 173.340 176.094 0.125 0.000 1.125 641 V CA -3.259 59.137 62.300 0.159 0.000 1.026 641 V CB 1.843 33.720 31.823 0.089 0.000 1.080 641 V HN 0.320 nan 8.190 nan 0.000 0.444 642 P HA 0.215 nan 4.420 nan 0.000 0.269 642 P C 0.632 177.939 177.300 0.013 0.000 1.215 642 P CA 0.252 63.424 63.100 0.120 0.000 0.780 642 P CB 0.767 32.587 31.700 0.201 0.000 0.898 643 S N -0.216 115.444 115.700 -0.067 0.000 2.562 643 S HA 0.076 4.544 4.470 -0.003 0.000 0.221 643 S C 0.354 174.767 174.600 -0.312 0.000 0.975 643 S CA 0.267 58.366 58.200 -0.170 0.000 0.918 643 S CB -0.354 62.745 63.200 -0.169 0.000 0.772 643 S HN 0.436 nan 8.310 nan 0.000 0.531 644 E N 0.865 120.801 120.200 -0.441 0.000 2.393 644 E HA 0.423 4.771 4.350 -0.003 0.000 0.273 644 E C -1.173 175.282 176.600 -0.242 0.000 0.918 644 E CA -0.818 55.259 56.400 -0.539 0.000 0.773 644 E CB 2.009 30.974 29.700 -1.225 0.000 1.275 644 E HN 0.123 nan 8.360 nan 0.000 0.451 645 S N 1.676 117.304 115.700 -0.121 0.000 2.549 645 S HA 0.024 4.492 4.470 -0.003 0.000 0.286 645 S C 0.031 174.733 174.600 0.169 0.000 1.314 645 S CA -0.006 58.209 58.200 0.025 0.000 1.062 645 S CB 0.070 63.281 63.200 0.020 0.000 0.865 645 S HN 0.627 nan 8.310 nan 0.000 0.498 646 D N -0.396 120.114 120.400 0.184 0.000 2.981 646 D HA -0.134 4.504 4.640 -0.003 0.000 0.223 646 D C -0.910 175.588 176.300 0.330 0.000 1.151 646 D CA 0.992 55.122 54.000 0.217 0.000 0.827 646 D CB -1.046 39.857 40.800 0.171 0.000 1.101 646 D HN 0.536 nan 8.370 nan 0.000 0.426 647 W N 0.068 121.372 121.300 0.007 0.000 2.576 647 W HA 0.729 5.387 4.660 -0.003 0.000 0.360 647 W C 0.545 177.079 176.519 0.024 0.000 1.109 647 W CA -0.408 56.933 57.345 -0.006 0.000 1.237 647 W CB 0.777 30.223 29.460 -0.023 0.000 1.369 647 W HN -0.173 nan 8.180 nan 0.000 0.609 648 L N 2.690 124.038 121.223 0.208 0.000 2.359 648 L HA 0.501 4.839 4.340 -0.003 0.000 0.256 648 L C -0.704 176.284 176.870 0.197 0.000 1.026 648 L CA -1.350 53.607 54.840 0.195 0.000 0.828 648 L CB 1.740 43.903 42.059 0.173 0.000 1.406 648 L HN -0.002 nan 8.230 nan 0.000 0.413 649 I N 1.511 122.217 120.570 0.226 0.000 2.331 649 I HA 0.276 4.444 4.170 -0.003 0.000 0.292 649 I C -0.678 175.606 176.117 0.278 0.000 0.998 649 I CA 0.011 61.433 61.300 0.203 0.000 1.267 649 I CB 1.018 39.128 38.000 0.183 0.000 1.386 649 I HN 0.327 nan 8.210 nan 0.000 0.476 650 F N 6.044 126.043 119.950 0.081 0.000 2.493 650 F HA 0.726 5.250 4.527 -0.003 0.000 0.329 650 F C -0.383 175.469 175.800 0.087 0.000 1.126 650 F CA -0.612 57.460 58.000 0.120 0.000 0.937 650 F CB 1.493 40.506 39.000 0.022 0.000 1.146 650 F HN 0.494 nan 8.300 nan 0.000 0.442 651 A N 4.660 127.405 122.820 -0.126 0.000 2.343 651 A HA 0.917 5.235 4.320 -0.003 0.000 0.316 651 A C -1.469 176.062 177.584 -0.089 0.000 1.104 651 A CA -0.300 51.744 52.037 0.011 0.000 0.768 651 A CB 0.975 20.059 19.000 0.140 0.000 1.213 651 A HN 1.252 nan 8.150 nan 0.000 0.456 652 A N 2.972 125.827 122.820 0.059 0.000 2.374 652 A HA 0.769 5.087 4.320 -0.003 0.000 0.305 652 A C -1.151 176.438 177.584 0.009 0.000 1.053 652 A CA -0.514 51.551 52.037 0.048 0.000 0.726 652 A CB 1.012 20.104 19.000 0.154 0.000 1.229 652 A HN 0.915 nan 8.150 nan 0.000 0.431 653 D N 1.237 121.633 120.400 -0.008 0.000 2.671 653 D HA 0.417 5.055 4.640 -0.003 0.000 0.232 653 D C -1.300 174.978 176.300 -0.037 0.000 1.114 653 D CA -0.350 53.653 54.000 0.004 0.000 0.858 653 D CB 0.926 41.783 40.800 0.096 0.000 1.544 653 D HN 0.348 nan 8.370 nan 0.000 0.471 654 Y N 0.433 120.764 120.300 0.052 0.000 2.425 654 Y HA 0.190 4.738 4.550 -0.003 0.000 0.331 654 Y C 1.360 177.272 175.900 0.020 0.000 1.157 654 Y CA 0.114 58.227 58.100 0.021 0.000 1.372 654 Y CB 1.201 39.657 38.460 -0.006 0.000 1.253 654 Y HN 0.302 nan 8.280 nan 0.000 0.536 655 S N 4.415 120.216 115.700 0.167 0.000 2.411 655 S HA 0.135 4.603 4.470 -0.003 0.000 0.294 655 S C -0.351 174.287 174.600 0.063 0.000 1.115 655 S CA -0.664 57.601 58.200 0.108 0.000 1.071 655 S CB -0.061 63.191 63.200 0.087 0.000 0.967 655 S HN 0.712 nan 8.310 nan 0.000 0.488 656 Q N 2.754 122.589 119.800 0.058 0.000 2.451 656 Q HA -0.221 4.117 4.340 -0.003 0.000 0.305 656 Q C 0.664 176.572 176.000 -0.154 0.000 1.345 656 Q CA 0.758 56.558 55.803 -0.005 0.000 0.854 656 Q CB -2.176 26.611 28.738 0.081 0.000 1.162 656 Q HN 0.922 nan 8.270 nan 0.000 0.440 657 I N -0.577 119.924 120.570 -0.116 0.000 2.286 657 I HA -0.300 3.868 4.170 -0.003 0.000 0.248 657 I C 1.741 177.698 176.117 -0.266 0.000 1.115 657 I CA 1.768 62.925 61.300 -0.240 0.000 1.392 657 I CB 0.345 38.153 38.000 -0.321 0.000 1.065 657 I HN 0.258 nan 8.210 nan 0.000 0.418 658 E N 0.885 120.962 120.200 -0.204 0.000 2.051 658 E HA -0.211 4.137 4.350 -0.003 0.000 0.192 658 E C 2.130 178.614 176.600 -0.193 0.000 0.991 658 E CA 1.501 57.778 56.400 -0.206 0.000 0.799 658 E CB -0.303 29.260 29.700 -0.229 0.000 0.748 658 E HN 0.489 nan 8.360 nan 0.000 0.449 659 L N 0.186 121.314 121.223 -0.159 0.000 2.217 659 L HA -0.075 4.263 4.340 -0.003 0.000 0.211 659 L C 2.342 179.093 176.870 -0.198 0.000 1.107 659 L CA 0.859 55.661 54.840 -0.064 0.000 0.783 659 L CB -0.175 41.987 42.059 0.171 0.000 0.919 659 L HN 0.058 nan 8.230 nan 0.000 0.442 660 R N -0.793 119.357 120.500 -0.583 0.000 2.073 660 R HA -0.089 4.249 4.340 -0.003 0.000 0.229 660 R C 2.264 178.383 176.300 -0.303 0.000 1.120 660 R CA 0.910 56.569 56.100 -0.734 0.000 0.967 660 R CB -0.355 29.460 30.300 -0.808 0.000 0.862 660 R HN 0.125 nan 8.270 nan 0.000 0.436 661 V N 1.509 121.266 119.914 -0.262 0.000 2.343 661 V HA -0.231 3.887 4.120 -0.003 0.000 0.247 661 V C 2.166 178.186 176.094 -0.122 0.000 1.051 661 V CA 1.528 63.721 62.300 -0.178 0.000 1.036 661 V CB -0.422 31.283 31.823 -0.197 0.000 0.654 661 V HN 0.251 nan 8.190 nan 0.000 0.451 662 L N 1.000 122.135 121.223 -0.146 0.000 2.046 662 L HA -0.067 4.271 4.340 -0.003 0.000 0.208 662 L C 2.439 179.241 176.870 -0.114 0.000 1.077 662 L CA 2.388 57.129 54.840 -0.165 0.000 0.747 662 L CB -1.057 40.937 42.059 -0.109 0.000 0.896 662 L HN 0.212 nan 8.230 nan 0.000 0.432 663 A N -1.190 121.621 122.820 -0.015 0.000 1.908 663 A HA -0.319 3.999 4.320 -0.003 0.000 0.218 663 A C 2.295 179.887 177.584 0.012 0.000 1.181 663 A CA 1.917 53.987 52.037 0.056 0.000 0.627 663 A CB -1.097 18.020 19.000 0.194 0.000 0.818 663 A HN 0.764 nan 8.150 nan 0.000 0.445 664 H N -0.231 118.785 119.070 -0.090 0.000 2.293 664 H HA -0.024 4.530 4.556 -0.003 0.000 0.300 664 H C 1.766 177.024 175.328 -0.116 0.000 1.082 664 H CA 2.093 58.086 56.048 -0.092 0.000 1.308 664 H CB -0.240 29.454 29.762 -0.113 0.000 1.375 664 H HN 0.403 nan 8.280 nan 0.000 0.495 665 I N 0.177 120.645 120.570 -0.169 0.000 2.226 665 I HA -0.199 3.969 4.170 -0.003 0.000 0.245 665 I C 2.508 178.427 176.117 -0.330 0.000 1.100 665 I CA 1.131 62.263 61.300 -0.280 0.000 1.374 665 I CB -0.368 37.431 38.000 -0.335 0.000 1.057 665 I HN 0.448 nan 8.210 nan 0.000 0.413 666 A N -0.407 122.210 122.820 -0.340 0.000 2.123 666 A HA -0.047 4.271 4.320 -0.003 0.000 0.214 666 A C 1.048 178.598 177.584 -0.056 0.000 1.152 666 A CA 0.193 52.130 52.037 -0.167 0.000 0.728 666 A CB -0.293 18.648 19.000 -0.097 0.000 0.814 666 A HN 0.499 nan 8.150 nan 0.000 0.464 667 E N 0.552 120.695 120.200 -0.096 0.000 2.360 667 E HA -0.190 4.158 4.350 -0.003 0.000 0.238 667 E C -0.602 176.004 176.600 0.010 0.000 1.186 667 E CA 0.642 57.007 56.400 -0.058 0.000 0.719 667 E CB -1.312 28.345 29.700 -0.072 0.000 1.236 667 E HN 0.736 nan 8.360 nan 0.000 0.386 668 D N 0.634 121.063 120.400 0.047 0.000 2.325 668 D HA -0.010 4.628 4.640 -0.003 0.000 0.251 668 D C 0.788 177.146 176.300 0.097 0.000 1.196 668 D CA -0.213 53.848 54.000 0.102 0.000 0.866 668 D CB 0.743 41.649 40.800 0.176 0.000 1.101 668 D HN 0.034 nan 8.370 nan 0.000 0.476 669 D N 3.485 123.927 120.400 0.068 0.000 2.123 669 D HA -0.204 4.434 4.640 -0.003 0.000 0.196 669 D C 1.480 177.816 176.300 0.059 0.000 0.992 669 D CA 1.002 55.031 54.000 0.048 0.000 0.833 669 D CB 0.050 40.862 40.800 0.020 0.000 0.954 669 D HN 0.481 nan 8.370 nan 0.000 0.455 670 N N 0.349 119.089 118.700 0.068 0.000 2.106 670 N HA -0.126 4.612 4.740 -0.003 0.000 0.188 670 N C 1.720 177.338 175.510 0.180 0.000 1.029 670 N CA 0.520 53.604 53.050 0.056 0.000 0.848 670 N CB -0.362 38.060 38.487 -0.109 0.000 1.007 670 N HN 0.034 nan 8.380 nan 0.000 0.423 671 L N 0.462 121.868 121.223 0.304 0.000 2.056 671 L HA 0.055 4.393 4.340 -0.003 0.000 0.207 671 L C 2.173 179.133 176.870 0.150 0.000 1.078 671 L CA 1.419 56.373 54.840 0.190 0.000 0.749 671 L CB -0.507 41.620 42.059 0.112 0.000 0.901 671 L HN 0.277 nan 8.230 nan 0.000 0.433 672 M N -1.192 118.503 119.600 0.158 0.000 2.117 672 M HA -0.215 4.263 4.480 -0.003 0.000 0.262 672 M C 2.171 178.545 176.300 0.124 0.000 1.065 672 M CA 1.888 57.285 55.300 0.163 0.000 1.114 672 M CB -0.455 32.207 32.600 0.104 0.000 1.361 672 M HN 0.224 nan 8.290 nan 0.000 0.408 673 E N 0.879 121.121 120.200 0.070 0.000 2.110 673 E HA -0.144 4.204 4.350 -0.003 0.000 0.193 673 E C 1.819 178.422 176.600 0.005 0.000 0.988 673 E CA 1.832 58.254 56.400 0.036 0.000 0.804 673 E CB -0.163 29.545 29.700 0.014 0.000 0.745 673 E HN 0.395 nan 8.360 nan 0.000 0.458 674 A N -0.215 122.578 122.820 -0.046 0.000 1.883 674 A HA -0.156 4.162 4.320 -0.003 0.000 0.217 674 A C 2.039 179.498 177.584 -0.209 0.000 1.186 674 A CA 1.651 53.581 52.037 -0.177 0.000 0.624 674 A CB -0.972 17.837 19.000 -0.318 0.000 0.822 674 A HN 0.379 nan 8.150 nan 0.000 0.444 675 F N -0.405 119.553 119.950 0.012 0.000 2.325 675 F HA 0.028 4.553 4.527 -0.003 0.000 0.299 675 F C 2.439 178.243 175.800 0.008 0.000 1.090 675 F CA 1.071 59.072 58.000 0.002 0.000 1.392 675 F CB -0.309 38.688 39.000 -0.005 0.000 1.053 675 F HN 0.105 nan 8.300 nan 0.000 0.521 676 R N -0.139 120.460 120.500 0.164 0.000 2.148 676 R HA -0.041 4.297 4.340 -0.003 0.000 0.227 676 R C 1.814 178.154 176.300 0.067 0.000 1.103 676 R CA 0.865 57.026 56.100 0.102 0.000 0.983 676 R CB -0.158 30.187 30.300 0.074 0.000 0.874 676 R HN 0.225 nan 8.270 nan 0.000 0.451 677 R N 0.151 120.678 120.500 0.045 0.000 2.317 677 R HA -0.009 4.329 4.340 -0.003 0.000 0.208 677 R C -0.160 176.157 176.300 0.027 0.000 0.914 677 R CA 0.162 56.276 56.100 0.022 0.000 1.060 677 R CB 0.178 30.476 30.300 -0.004 0.000 1.015 677 R HN 0.042 nan 8.270 nan 0.000 0.498 678 D N 1.100 121.536 120.400 0.060 0.000 2.689 678 D HA -0.167 4.471 4.640 -0.003 0.000 0.237 678 D C -0.747 175.566 176.300 0.023 0.000 1.148 678 D CA 0.509 54.558 54.000 0.081 0.000 0.656 678 D CB -0.998 39.847 40.800 0.075 0.000 1.050 678 D HN 0.177 nan 8.370 nan 0.000 0.426 679 L N -0.022 121.175 121.223 -0.044 0.000 2.472 679 L HA 0.205 4.543 4.340 -0.003 0.000 0.260 679 L C 1.242 178.061 176.870 -0.085 0.000 1.209 679 L CA -0.371 54.426 54.840 -0.072 0.000 0.817 679 L CB 0.321 42.313 42.059 -0.112 0.000 1.106 679 L HN 0.147 nan 8.230 nan 0.000 0.479 680 D N 1.370 121.733 120.400 -0.060 0.000 2.346 680 D HA -0.026 4.612 4.640 -0.003 0.000 0.260 680 D C 0.802 177.026 176.300 -0.127 0.000 1.252 680 D CA -0.147 53.817 54.000 -0.059 0.000 0.895 680 D CB 1.058 41.852 40.800 -0.008 0.000 1.097 680 D HN 0.396 nan 8.370 nan 0.000 0.489 681 I N 5.429 125.859 120.570 -0.234 0.000 2.361 681 I HA -0.256 3.912 4.170 -0.003 0.000 0.251 681 I C 1.785 177.780 176.117 -0.203 0.000 1.133 681 I CA 1.411 62.522 61.300 -0.314 0.000 1.413 681 I CB -0.210 37.572 38.000 -0.363 0.000 1.073 681 I HN 0.497 nan 8.210 nan 0.000 0.424 682 H N -0.772 118.308 119.070 0.016 0.000 2.372 682 H HA 0.013 4.567 4.556 -0.003 0.000 0.301 682 H C 2.214 177.562 175.328 0.033 0.000 1.065 682 H CA 1.766 57.835 56.048 0.035 0.000 1.364 682 H CB -0.945 28.846 29.762 0.048 0.000 1.406 682 H HN 0.267 nan 8.280 nan 0.000 0.521 683 T N 1.266 115.893 114.554 0.123 0.000 2.746 683 T HA -0.137 4.211 4.350 -0.003 0.000 0.267 683 T C 2.113 176.844 174.700 0.052 0.000 1.039 683 T CA 1.766 63.915 62.100 0.081 0.000 1.142 683 T CB 0.067 68.965 68.868 0.049 0.000 0.866 683 T HN 0.176 nan 8.240 nan 0.000 0.444 684 K N 1.213 121.621 120.400 0.013 0.000 2.057 684 K HA -0.056 4.262 4.320 -0.003 0.000 0.207 684 K C 2.239 178.861 176.600 0.037 0.000 1.049 684 K CA 1.722 58.008 56.287 -0.002 0.000 0.931 684 K CB -0.949 31.519 32.500 -0.053 0.000 0.714 684 K HN 0.211 nan 8.250 nan 0.000 0.440 685 T N 0.532 115.130 114.554 0.073 0.000 2.746 685 T HA -0.097 4.251 4.350 -0.003 0.000 0.267 685 T C 1.820 176.516 174.700 -0.006 0.000 1.039 685 T CA 1.443 63.614 62.100 0.118 0.000 1.142 685 T CB -0.561 68.404 68.868 0.162 0.000 0.866 685 T HN 0.404 nan 8.240 nan 0.000 0.444 686 A N 1.503 124.340 122.820 0.029 0.000 1.883 686 A HA -0.111 4.207 4.320 -0.003 0.000 0.217 686 A C 2.353 179.982 177.584 0.074 0.000 1.186 686 A CA 1.754 53.833 52.037 0.071 0.000 0.624 686 A CB -0.783 18.366 19.000 0.248 0.000 0.822 686 A HN 0.455 nan 8.150 nan 0.000 0.444 687 M N -0.487 119.148 119.600 0.059 0.000 2.082 687 M HA -0.215 4.263 4.480 -0.003 0.000 0.258 687 M C 1.602 177.883 176.300 -0.031 0.000 1.069 687 M CA 1.997 57.316 55.300 0.033 0.000 1.102 687 M CB -0.588 32.014 32.600 0.004 0.000 1.336 687 M HN 0.371 nan 8.290 nan 0.000 0.404 688 D N 0.374 120.711 120.400 -0.104 0.000 2.103 688 D HA -0.076 4.562 4.640 -0.003 0.000 0.199 688 D C 1.881 178.051 176.300 -0.216 0.000 0.978 688 D CA 1.453 55.336 54.000 -0.195 0.000 0.829 688 D CB -0.456 40.134 40.800 -0.349 0.000 0.981 688 D HN 0.555 nan 8.370 nan 0.000 0.464 689 I N -2.548 117.840 120.570 -0.303 0.000 2.546 689 I HA -0.090 4.078 4.170 -0.003 0.000 0.255 689 I C 1.184 177.069 176.117 -0.387 0.000 1.163 689 I CA 1.108 62.165 61.300 -0.404 0.000 1.457 689 I CB -0.309 37.336 38.000 -0.592 0.000 1.092 689 I HN -0.240 nan 8.210 nan 0.000 0.434 690 F N 1.424 121.358 119.950 -0.027 0.000 2.695 690 F HA 0.315 4.840 4.527 -0.003 0.000 0.303 690 F C 0.666 176.460 175.800 -0.009 0.000 1.091 690 F CA -0.737 57.257 58.000 -0.010 0.000 1.300 690 F CB -0.606 38.380 39.000 -0.024 0.000 1.071 690 F HN 0.121 nan 8.300 nan 0.000 0.578 691 Q N 0.662 120.516 119.800 0.091 0.000 2.453 691 Q HA -0.121 4.217 4.340 -0.003 0.000 0.330 691 Q C -0.732 175.303 176.000 0.057 0.000 1.417 691 Q CA 0.509 56.339 55.803 0.045 0.000 0.902 691 Q CB -1.722 27.040 28.738 0.040 0.000 1.154 691 Q HN 0.314 nan 8.270 nan 0.000 0.395 692 V N -3.360 116.591 119.914 0.061 0.000 3.130 692 V HA 0.862 4.980 4.120 -0.003 0.000 0.310 692 V C 0.467 176.577 176.094 0.028 0.000 1.158 692 V CA -0.488 61.840 62.300 0.047 0.000 1.029 692 V CB 2.153 34.015 31.823 0.064 0.000 1.057 692 V HN 0.374 nan 8.190 nan 0.000 0.436 693 S N 0.110 115.819 115.700 0.016 0.000 2.608 693 S HA 0.230 4.698 4.470 -0.003 0.000 0.261 693 S C 0.970 175.577 174.600 0.013 0.000 1.314 693 S CA 0.704 58.908 58.200 0.007 0.000 0.992 693 S CB 0.835 64.036 63.200 0.003 0.000 0.935 693 S HN 1.078 nan 8.310 nan 0.000 0.564 694 E N 0.872 121.076 120.200 0.007 0.000 2.085 694 E HA -0.246 4.102 4.350 -0.003 0.000 0.194 694 E C 1.391 177.998 176.600 0.012 0.000 0.994 694 E CA 1.677 58.084 56.400 0.010 0.000 0.801 694 E CB -0.310 29.392 29.700 0.003 0.000 0.743 694 E HN 0.880 nan 8.360 nan 0.000 0.453 695 D N -0.114 120.290 120.400 0.007 0.000 2.371 695 D HA -0.154 4.484 4.640 -0.003 0.000 0.221 695 D C 0.942 177.245 176.300 0.005 0.000 0.986 695 D CA 0.642 54.645 54.000 0.005 0.000 0.899 695 D CB -0.168 40.633 40.800 0.002 0.000 0.902 695 D HN 0.349 nan 8.370 nan 0.000 0.530 696 E N 0.077 120.282 120.200 0.009 0.000 2.474 696 E HA 0.095 4.443 4.350 -0.003 0.000 0.194 696 E C 0.086 176.691 176.600 0.008 0.000 1.041 696 E CA -0.166 56.238 56.400 0.007 0.000 0.874 696 E CB 1.064 30.770 29.700 0.010 0.000 0.914 696 E HN 0.080 nan 8.360 nan 0.000 0.498 697 V N 3.022 122.948 119.914 0.020 0.000 2.470 697 V HA 0.015 4.133 4.120 -0.003 0.000 0.276 697 V C 0.727 176.824 176.094 0.006 0.000 1.040 697 V CA -0.028 62.289 62.300 0.029 0.000 1.008 697 V CB 0.654 32.510 31.823 0.054 0.000 0.990 697 V HN 0.220 nan 8.190 nan 0.000 0.477 698 T N 3.520 118.062 114.554 -0.020 0.000 2.902 698 T HA 0.382 4.730 4.350 -0.003 0.000 0.280 698 T C -1.753 172.934 174.700 -0.021 0.000 0.992 698 T CA -1.948 60.134 62.100 -0.029 0.000 1.015 698 T CB 1.599 70.434 68.868 -0.056 0.000 1.044 698 T HN 0.362 nan 8.240 nan 0.000 0.520 699 P HA -0.077 nan 4.420 nan 0.000 0.215 699 P C 1.418 178.706 177.300 -0.020 0.000 1.153 699 P CA 0.903 63.996 63.100 -0.012 0.000 0.853 699 P CB -0.018 31.674 31.700 -0.014 0.000 0.788 700 N N -1.322 117.354 118.700 -0.039 0.000 2.188 700 N HA -0.093 4.645 4.740 -0.003 0.000 0.184 700 N C 1.634 177.104 175.510 -0.065 0.000 1.018 700 N CA 1.220 54.241 53.050 -0.048 0.000 0.858 700 N CB -0.573 37.878 38.487 -0.061 0.000 0.989 700 N HN 0.029 nan 8.380 nan 0.000 0.426 701 M N -0.351 119.186 119.600 -0.105 0.000 2.086 701 M HA -0.126 4.352 4.480 -0.003 0.000 0.261 701 M C 2.300 178.666 176.300 0.109 0.000 1.067 701 M CA 1.282 56.510 55.300 -0.121 0.000 1.116 701 M CB -0.198 32.306 32.600 -0.160 0.000 1.348 701 M HN 0.136 nan 8.290 nan 0.000 0.407 702 R N 0.361 120.904 120.500 0.071 0.000 2.081 702 R HA -0.170 4.168 4.340 -0.003 0.000 0.235 702 R C 2.324 178.649 176.300 0.041 0.000 1.131 702 R CA 1.671 57.824 56.100 0.088 0.000 0.960 702 R CB -0.230 30.111 30.300 0.068 0.000 0.856 702 R HN 0.264 nan 8.270 nan 0.000 0.436 703 R N 0.431 120.935 120.500 0.007 0.000 2.083 703 R HA -0.187 4.151 4.340 -0.003 0.000 0.237 703 R C 2.182 178.474 176.300 -0.014 0.000 1.137 703 R CA 2.113 58.197 56.100 -0.026 0.000 0.951 703 R CB -0.128 30.159 30.300 -0.022 0.000 0.851 703 R HN 0.420 nan 8.270 nan 0.000 0.434 704 Q N -0.576 119.239 119.800 0.026 0.000 2.119 704 Q HA -0.094 4.244 4.340 -0.003 0.000 0.201 704 Q C 2.129 178.133 176.000 0.006 0.000 0.972 704 Q CA 1.394 57.218 55.803 0.036 0.000 0.847 704 Q CB -0.042 28.725 28.738 0.049 0.000 0.903 704 Q HN 0.452 nan 8.270 nan 0.000 0.433 705 A N 1.613 124.466 122.820 0.054 0.000 1.930 705 A HA -0.206 4.112 4.320 -0.003 0.000 0.217 705 A C 2.016 179.629 177.584 0.047 0.000 1.175 705 A CA 1.517 53.571 52.037 0.028 0.000 0.627 705 A CB -0.372 18.683 19.000 0.091 0.000 0.815 705 A HN 0.208 nan 8.150 nan 0.000 0.443 706 K N -0.244 120.125 120.400 -0.051 0.000 2.097 706 K HA -0.044 4.274 4.320 -0.003 0.000 0.205 706 K C 2.056 178.609 176.600 -0.078 0.000 1.050 706 K CA 1.128 57.234 56.287 -0.302 0.000 0.938 706 K CB -0.290 31.872 32.500 -0.563 0.000 0.718 706 K HN 0.358 nan 8.250 nan 0.000 0.442 707 A N 0.558 123.367 122.820 -0.019 0.000 1.930 707 A HA -0.062 4.256 4.320 -0.003 0.000 0.217 707 A C 2.164 179.830 177.584 0.138 0.000 1.175 707 A CA 1.263 53.331 52.037 0.051 0.000 0.627 707 A CB -0.415 18.604 19.000 0.031 0.000 0.815 707 A HN 0.160 nan 8.150 nan 0.000 0.443 708 V N 0.996 120.955 119.914 0.075 0.000 2.358 708 V HA -0.238 3.880 4.120 -0.003 0.000 0.246 708 V C 2.266 178.359 176.094 -0.003 0.000 1.047 708 V CA 2.060 64.379 62.300 0.033 0.000 1.035 708 V CB -0.897 30.912 31.823 -0.024 0.000 0.658 708 V HN 0.542 nan 8.190 nan 0.000 0.452 709 N N -0.237 118.498 118.700 0.058 0.000 2.166 709 N HA -0.164 4.574 4.740 -0.003 0.000 0.186 709 N C 1.699 177.264 175.510 0.092 0.000 1.019 709 N CA 1.517 54.605 53.050 0.062 0.000 0.856 709 N CB -0.460 38.169 38.487 0.238 0.000 0.993 709 N HN 0.552 nan 8.380 nan 0.000 0.426 710 F N 1.553 121.529 119.950 0.043 0.000 2.095 710 F HA -0.091 4.434 4.527 -0.003 0.000 0.298 710 F C 2.240 178.119 175.800 0.131 0.000 1.104 710 F CA 1.776 59.848 58.000 0.120 0.000 1.232 710 F CB -0.630 38.456 39.000 0.143 0.000 0.987 710 F HN 0.008 nan 8.300 nan 0.000 0.475 711 G N 0.745 109.702 108.800 0.261 0.000 2.440 711 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.218 711 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.218 711 G C 1.773 176.648 174.900 -0.042 0.000 1.154 711 G CA 1.267 46.448 45.100 0.135 0.000 0.767 711 G HN 0.492 nan 8.290 nan 0.000 0.552 712 I N 0.269 120.764 120.570 -0.125 0.000 2.252 712 I HA -0.128 4.040 4.170 -0.003 0.000 0.245 712 I C 2.735 178.730 176.117 -0.204 0.000 1.102 712 I CA 0.438 61.627 61.300 -0.185 0.000 1.385 712 I CB -0.214 37.610 38.000 -0.292 0.000 1.064 712 I HN 0.014 nan 8.210 nan 0.000 0.414 713 V N -0.119 119.615 119.914 -0.300 0.000 2.490 713 V HA -0.274 3.844 4.120 -0.003 0.000 0.250 713 V C 1.729 177.422 176.094 -0.668 0.000 1.061 713 V CA 1.860 63.857 62.300 -0.505 0.000 1.064 713 V CB -0.662 30.751 31.823 -0.682 0.000 0.670 713 V HN 0.385 nan 8.190 nan 0.000 0.461 714 Y N -0.234 119.885 120.300 -0.302 0.000 2.467 714 Y HA 0.478 5.026 4.550 -0.003 0.000 0.250 714 Y C 1.795 177.607 175.900 -0.146 0.000 1.155 714 Y CA -0.032 57.905 58.100 -0.272 0.000 1.249 714 Y CB 0.007 38.184 38.460 -0.471 0.000 1.146 714 Y HN 0.273 nan 8.280 nan 0.000 0.524 715 G N 2.116 110.902 108.800 -0.023 0.000 2.295 715 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.287 715 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.287 715 G C 0.298 175.228 174.900 0.051 0.000 1.055 715 G CA 0.450 45.546 45.100 -0.006 0.000 0.922 715 G HN 0.548 nan 8.290 nan 0.000 0.503 716 I N -1.389 119.237 120.570 0.095 0.000 2.764 716 I HA 0.729 4.897 4.170 -0.003 0.000 0.294 716 I C 0.894 177.097 176.117 0.144 0.000 1.045 716 I CA -0.329 61.063 61.300 0.154 0.000 1.340 716 I CB 1.250 39.377 38.000 0.211 0.000 1.436 716 I HN 0.379 nan 8.210 nan 0.000 0.567 717 S N 1.890 117.700 115.700 0.183 0.000 2.634 717 S HA 0.107 4.575 4.470 -0.003 0.000 0.261 717 S C 0.653 175.345 174.600 0.155 0.000 1.271 717 S CA 0.083 58.393 58.200 0.184 0.000 0.985 717 S CB 1.120 64.485 63.200 0.274 0.000 0.968 717 S HN 0.822 nan 8.310 nan 0.000 0.568 718 D N -0.059 120.395 120.400 0.089 0.000 2.218 718 D HA -0.155 4.483 4.640 -0.003 0.000 0.204 718 D C 1.306 177.607 176.300 0.003 0.000 0.976 718 D CA 1.322 55.326 54.000 0.006 0.000 0.853 718 D CB -0.689 40.057 40.800 -0.090 0.000 0.939 718 D HN 0.633 nan 8.370 nan 0.000 0.481 719 Y N 1.334 121.695 120.300 0.102 0.000 2.163 719 Y HA 0.076 4.624 4.550 -0.003 0.000 0.288 719 Y C 2.891 178.846 175.900 0.091 0.000 1.136 719 Y CA 1.464 59.617 58.100 0.090 0.000 1.147 719 Y CB -0.808 37.706 38.460 0.090 0.000 0.987 719 Y HN 0.142 nan 8.280 nan 0.000 0.509 720 G N -0.332 108.632 108.800 0.274 0.000 2.422 720 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.218 720 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.218 720 G C 1.651 176.660 174.900 0.180 0.000 1.146 720 G CA 1.027 46.253 45.100 0.210 0.000 0.769 720 G HN 0.332 nan 8.290 nan 0.000 0.547 721 L N 1.343 122.668 121.223 0.169 0.000 2.056 721 L HA 0.218 4.556 4.340 -0.003 0.000 0.207 721 L C 3.038 179.986 176.870 0.130 0.000 1.078 721 L CA 2.034 56.966 54.840 0.155 0.000 0.749 721 L CB -0.782 41.364 42.059 0.145 0.000 0.901 721 L HN 0.224 nan 8.230 nan 0.000 0.433 722 A N -1.004 121.882 122.820 0.111 0.000 1.908 722 A HA -0.300 4.018 4.320 -0.003 0.000 0.218 722 A C 2.343 179.985 177.584 0.097 0.000 1.181 722 A CA 1.961 54.051 52.037 0.088 0.000 0.627 722 A CB -0.739 18.304 19.000 0.072 0.000 0.818 722 A HN 0.663 nan 8.150 nan 0.000 0.445 723 Q N -0.513 119.356 119.800 0.114 0.000 2.079 723 Q HA -0.197 4.141 4.340 -0.003 0.000 0.200 723 Q C 1.671 177.713 176.000 0.071 0.000 0.974 723 Q CA 1.590 57.449 55.803 0.094 0.000 0.840 723 Q CB -0.163 28.636 28.738 0.101 0.000 0.898 723 Q HN 0.651 nan 8.270 nan 0.000 0.430 724 N N 0.419 119.161 118.700 0.071 0.000 2.166 724 N HA -0.123 4.615 4.740 -0.003 0.000 0.186 724 N C 1.413 176.940 175.510 0.028 0.000 1.019 724 N CA 1.059 54.125 53.050 0.026 0.000 0.856 724 N CB -0.064 38.429 38.487 0.010 0.000 0.993 724 N HN 0.300 nan 8.380 nan 0.000 0.426 725 L N -0.068 121.197 121.223 0.069 0.000 2.607 725 L HA 0.142 4.480 4.340 -0.003 0.000 0.228 725 L C 0.058 176.974 176.870 0.077 0.000 1.123 725 L CA -0.144 54.747 54.840 0.085 0.000 0.890 725 L CB -0.262 41.890 42.059 0.155 0.000 1.103 725 L HN 0.111 nan 8.230 nan 0.000 0.468 726 N N 1.672 120.412 118.700 0.066 0.000 2.708 726 N HA -0.212 4.526 4.740 -0.003 0.000 0.255 726 N C -0.606 174.938 175.510 0.057 0.000 1.046 726 N CA 0.763 53.848 53.050 0.059 0.000 0.715 726 N CB -1.056 37.461 38.487 0.050 0.000 0.895 726 N HN 0.588 nan 8.380 nan 0.000 0.545 727 I N -3.806 116.797 120.570 0.055 0.000 3.343 727 I HA 0.659 4.827 4.170 -0.003 0.000 0.315 727 I C 0.365 176.491 176.117 0.015 0.000 1.153 727 I CA -1.001 60.316 61.300 0.028 0.000 0.952 727 I CB 1.740 39.749 38.000 0.015 0.000 1.287 727 I HN 0.158 nan 8.210 nan 0.000 0.472 728 S N 1.034 116.724 115.700 -0.016 0.000 2.601 728 S HA 0.318 4.787 4.470 -0.003 0.000 0.271 728 S C 0.950 175.522 174.600 -0.047 0.000 1.305 728 S CA -0.514 57.676 58.200 -0.016 0.000 1.022 728 S CB 1.610 64.796 63.200 -0.025 0.000 0.940 728 S HN 0.890 nan 8.310 nan 0.000 0.525 729 R N 0.875 121.347 120.500 -0.048 0.000 2.117 729 R HA -0.177 4.161 4.340 -0.003 0.000 0.243 729 R C 1.955 178.171 176.300 -0.140 0.000 1.143 729 R CA 1.837 57.852 56.100 -0.141 0.000 0.968 729 R CB -0.409 29.720 30.300 -0.285 0.000 0.863 729 R HN 0.742 nan 8.270 nan 0.000 0.444 730 K N 1.152 121.490 120.400 -0.105 0.000 2.026 730 K HA -0.149 4.169 4.320 -0.003 0.000 0.208 730 K C 1.671 178.192 176.600 -0.130 0.000 1.048 730 K CA 2.107 58.337 56.287 -0.095 0.000 0.929 730 K CB -0.133 32.328 32.500 -0.066 0.000 0.713 730 K HN 0.321 nan 8.250 nan 0.000 0.439 731 E N -0.384 119.714 120.200 -0.169 0.000 2.106 731 E HA -0.133 4.215 4.350 -0.003 0.000 0.192 731 E C 1.945 178.280 176.600 -0.443 0.000 0.984 731 E CA 0.953 57.164 56.400 -0.316 0.000 0.806 731 E CB -0.179 29.339 29.700 -0.304 0.000 0.750 731 E HN 0.452 nan 8.360 nan 0.000 0.458 732 A N 1.633 124.310 122.820 -0.238 0.000 1.877 732 A HA -0.110 4.208 4.320 -0.003 0.000 0.216 732 A C 2.423 179.974 177.584 -0.055 0.000 1.186 732 A CA 1.669 53.639 52.037 -0.111 0.000 0.620 732 A CB -0.668 18.318 19.000 -0.024 0.000 0.822 732 A HN 0.289 nan 8.150 nan 0.000 0.443 733 A N -0.571 122.208 122.820 -0.070 0.000 1.972 733 A HA -0.178 4.140 4.320 -0.003 0.000 0.219 733 A C 1.973 179.563 177.584 0.010 0.000 1.169 733 A CA 1.829 53.857 52.037 -0.015 0.000 0.635 733 A CB -0.502 18.482 19.000 -0.027 0.000 0.810 733 A HN 0.679 nan 8.150 nan 0.000 0.446 734 E N -1.230 118.935 120.200 -0.058 0.000 2.110 734 E HA -0.163 4.185 4.350 -0.003 0.000 0.193 734 E C 1.538 178.198 176.600 0.099 0.000 0.988 734 E CA 1.151 57.534 56.400 -0.027 0.000 0.804 734 E CB -0.175 29.446 29.700 -0.132 0.000 0.745 734 E HN 0.569 nan 8.360 nan 0.000 0.458 735 F N 0.754 120.726 119.950 0.037 0.000 2.146 735 F HA -0.163 4.362 4.527 -0.003 0.000 0.298 735 F C 2.170 177.956 175.800 -0.023 0.000 1.096 735 F CA 0.535 58.545 58.000 0.018 0.000 1.275 735 F CB -0.556 38.465 39.000 0.036 0.000 1.008 735 F HN 0.113 nan 8.300 nan 0.000 0.480 736 I N 0.217 120.872 120.570 0.141 0.000 2.163 736 I HA -0.299 3.869 4.170 -0.003 0.000 0.243 736 I C 2.429 178.496 176.117 -0.085 0.000 1.085 736 I CA 1.536 62.788 61.300 -0.080 0.000 1.347 736 I CB -1.427 36.542 38.000 -0.052 0.000 1.044 736 I HN 0.272 nan 8.210 nan 0.000 0.408 737 E N 1.016 121.284 120.200 0.112 0.000 2.058 737 E HA -0.246 4.102 4.350 -0.003 0.000 0.194 737 E C 2.331 179.039 176.600 0.180 0.000 0.997 737 E CA 1.186 57.715 56.400 0.214 0.000 0.801 737 E CB 0.062 29.863 29.700 0.168 0.000 0.746 737 E HN 0.281 nan 8.360 nan 0.000 0.450 738 R N -0.243 120.339 120.500 0.137 0.000 2.120 738 R HA -0.168 4.170 4.340 -0.003 0.000 0.234 738 R C 2.218 178.552 176.300 0.057 0.000 1.123 738 R CA 1.238 57.391 56.100 0.088 0.000 0.975 738 R CB -0.974 29.374 30.300 0.080 0.000 0.866 738 R HN 0.422 nan 8.270 nan 0.000 0.446 739 Y N 0.443 120.706 120.300 -0.062 0.000 2.200 739 Y HA -0.190 4.358 4.550 -0.003 0.000 0.290 739 Y C 1.848 177.810 175.900 0.103 0.000 1.137 739 Y CA 1.329 59.413 58.100 -0.025 0.000 1.163 739 Y CB -0.317 38.029 38.460 -0.190 0.000 0.988 739 Y HN -0.145 nan 8.280 nan 0.000 0.518 740 F N 0.798 120.961 119.950 0.356 0.000 2.293 740 F HA -0.105 4.420 4.527 -0.003 0.000 0.300 740 F C 2.194 178.048 175.800 0.091 0.000 1.086 740 F CA 1.380 59.533 58.000 0.255 0.000 1.375 740 F CB -0.756 38.365 39.000 0.203 0.000 1.045 740 F HN 0.168 nan 8.300 nan 0.000 0.516 741 E N -0.320 120.002 120.200 0.203 0.000 2.106 741 E HA -0.135 4.213 4.350 -0.003 0.000 0.192 741 E C 2.138 178.692 176.600 -0.077 0.000 0.984 741 E CA 1.524 57.962 56.400 0.062 0.000 0.806 741 E CB -0.248 29.474 29.700 0.038 0.000 0.750 741 E HN 0.374 nan 8.360 nan 0.000 0.458 742 S N -0.209 115.360 115.700 -0.218 0.000 2.528 742 S HA 0.044 4.512 4.470 -0.003 0.000 0.219 742 S C 0.541 174.612 174.600 -0.881 0.000 0.985 742 S CA 0.008 57.877 58.200 -0.552 0.000 0.914 742 S CB 0.132 62.903 63.200 -0.715 0.000 0.776 742 S HN 0.061 nan 8.310 nan 0.000 0.526 743 F N 2.244 122.091 119.950 -0.171 0.000 2.564 743 F HA 0.432 4.958 4.527 -0.003 0.000 0.329 743 F C -1.978 173.875 175.800 0.088 0.000 1.458 743 F CA -2.465 55.473 58.000 -0.104 0.000 1.117 743 F CB 1.463 40.294 39.000 -0.281 0.000 1.383 743 F HN -0.023 nan 8.300 nan 0.000 0.571 744 P HA -0.152 nan 4.420 nan 0.000 0.219 744 P C 1.708 179.095 177.300 0.146 0.000 1.146 744 P CA 1.545 64.727 63.100 0.136 0.000 0.808 744 P CB 0.338 32.070 31.700 0.054 0.000 0.779 745 G N 0.266 109.162 108.800 0.161 0.000 2.408 745 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.217 745 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.217 745 G C 1.713 176.735 174.900 0.204 0.000 1.150 745 G CA 0.541 45.728 45.100 0.146 0.000 0.776 745 G HN 0.188 nan 8.290 nan 0.000 0.542 746 V N 0.688 120.781 119.914 0.298 0.000 2.427 746 V HA -0.115 4.003 4.120 -0.003 0.000 0.248 746 V C 2.648 178.951 176.094 0.349 0.000 1.051 746 V CA 2.109 64.641 62.300 0.386 0.000 1.048 746 V CB -0.309 31.829 31.823 0.526 0.000 0.666 746 V HN 0.410 nan 8.190 nan 0.000 0.456 747 K N 0.400 120.949 120.400 0.248 0.000 2.057 747 K HA -0.223 4.095 4.320 -0.003 0.000 0.207 747 K C 2.421 178.938 176.600 -0.138 0.000 1.049 747 K CA 1.666 57.832 56.287 -0.202 0.000 0.931 747 K CB -0.167 32.192 32.500 -0.236 0.000 0.714 747 K HN 0.322 nan 8.250 nan 0.000 0.440 748 R N -0.279 120.219 120.500 -0.005 0.000 2.081 748 R HA -0.216 4.122 4.340 -0.003 0.000 0.235 748 R C 2.365 178.671 176.300 0.009 0.000 1.131 748 R CA 1.785 57.882 56.100 -0.006 0.000 0.960 748 R CB -0.518 29.802 30.300 0.034 0.000 0.856 748 R HN 0.343 nan 8.270 nan 0.000 0.436 749 Y N 1.039 121.326 120.300 -0.022 0.000 2.145 749 Y HA -0.250 4.298 4.550 -0.003 0.000 0.286 749 Y C 2.306 178.183 175.900 -0.037 0.000 1.145 749 Y CA 2.175 60.263 58.100 -0.019 0.000 1.148 749 Y CB -0.434 38.032 38.460 0.010 0.000 0.981 749 Y HN 0.066 nan 8.280 nan 0.000 0.507 750 M N 0.203 119.618 119.600 -0.307 0.000 2.080 750 M HA -0.256 4.222 4.480 -0.003 0.000 0.260 750 M C 1.847 177.949 176.300 -0.330 0.000 1.068 750 M CA 2.424 57.493 55.300 -0.385 0.000 1.109 750 M CB -0.212 32.280 32.600 -0.180 0.000 1.342 750 M HN 0.427 nan 8.290 nan 0.000 0.405 751 E N 0.137 120.188 120.200 -0.248 0.000 2.051 751 E HA -0.189 4.159 4.350 -0.003 0.000 0.192 751 E C 1.722 178.216 176.600 -0.178 0.000 0.991 751 E CA 1.362 57.650 56.400 -0.188 0.000 0.799 751 E CB -0.280 29.331 29.700 -0.149 0.000 0.748 751 E HN 0.587 nan 8.360 nan 0.000 0.449 752 N N 0.955 119.547 118.700 -0.180 0.000 2.142 752 N HA -0.137 4.601 4.740 -0.003 0.000 0.186 752 N C 1.850 177.243 175.510 -0.196 0.000 1.023 752 N CA 0.713 53.674 53.050 -0.148 0.000 0.852 752 N CB -0.217 38.218 38.487 -0.087 0.000 0.998 752 N HN 0.105 nan 8.380 nan 0.000 0.424 753 I N 0.716 121.082 120.570 -0.340 0.000 2.315 753 I HA -0.136 4.032 4.170 -0.003 0.000 0.248 753 I C 1.889 177.860 176.117 -0.243 0.000 1.117 753 I CA 0.701 61.798 61.300 -0.338 0.000 1.404 753 I CB -0.171 37.461 38.000 -0.613 0.000 1.071 753 I HN -0.159 nan 8.210 nan 0.000 0.419 754 V N 0.377 120.151 119.914 -0.234 0.000 2.343 754 V HA -0.264 3.854 4.120 -0.003 0.000 0.247 754 V C 2.529 178.547 176.094 -0.127 0.000 1.051 754 V CA 1.606 63.808 62.300 -0.163 0.000 1.036 754 V CB -0.740 30.998 31.823 -0.143 0.000 0.654 754 V HN 0.431 nan 8.190 nan 0.000 0.451 755 Q N -0.316 119.411 119.800 -0.122 0.000 2.119 755 Q HA -0.206 4.132 4.340 -0.003 0.000 0.201 755 Q C 2.225 178.163 176.000 -0.103 0.000 0.972 755 Q CA 1.625 57.372 55.803 -0.095 0.000 0.847 755 Q CB -0.319 28.369 28.738 -0.083 0.000 0.903 755 Q HN 0.766 nan 8.270 nan 0.000 0.433 756 E N 0.129 120.254 120.200 -0.126 0.000 2.072 756 E HA -0.136 4.212 4.350 -0.003 0.000 0.191 756 E C 1.788 178.280 176.600 -0.181 0.000 0.985 756 E CA 0.914 57.226 56.400 -0.147 0.000 0.801 756 E CB 0.073 29.683 29.700 -0.149 0.000 0.750 756 E HN 0.283 nan 8.360 nan 0.000 0.452 757 A N 1.399 124.120 122.820 -0.165 0.000 1.933 757 A HA -0.205 4.113 4.320 -0.003 0.000 0.218 757 A C 2.089 179.611 177.584 -0.103 0.000 1.175 757 A CA 1.664 53.609 52.037 -0.154 0.000 0.628 757 A CB -0.409 18.521 19.000 -0.116 0.000 0.814 757 A HN 0.178 nan 8.150 nan 0.000 0.444 758 K N -0.807 119.543 120.400 -0.083 0.000 2.057 758 K HA -0.173 4.145 4.320 -0.003 0.000 0.206 758 K C 2.356 178.929 176.600 -0.045 0.000 1.050 758 K CA 1.418 57.676 56.287 -0.048 0.000 0.935 758 K CB -0.153 32.321 32.500 -0.043 0.000 0.715 758 K HN 0.544 nan 8.250 nan 0.000 0.439 759 Q N 1.058 120.815 119.800 -0.071 0.000 2.049 759 Q HA -0.144 4.194 4.340 -0.003 0.000 0.198 759 Q C 1.476 177.435 176.000 -0.068 0.000 0.971 759 Q CA 1.643 57.409 55.803 -0.062 0.000 0.833 759 Q CB 0.160 28.856 28.738 -0.070 0.000 0.896 759 Q HN 0.271 nan 8.270 nan 0.000 0.434 760 K N -1.400 118.910 120.400 -0.149 0.000 2.262 760 K HA 0.074 4.392 4.320 -0.003 0.000 0.200 760 K C 1.158 177.723 176.600 -0.060 0.000 1.049 760 K CA 0.682 56.850 56.287 -0.200 0.000 0.979 760 K CB 0.360 32.512 32.500 -0.580 0.000 0.773 760 K HN 0.456 nan 8.250 nan 0.000 0.474 761 G N 0.883 109.655 108.800 -0.048 0.000 2.176 761 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.232 761 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.232 761 G C -0.151 174.900 174.900 0.252 0.000 0.986 761 G CA 0.474 45.669 45.100 0.159 0.000 0.643 761 G HN 0.382 nan 8.290 nan 0.000 0.522 762 Y N -1.938 118.348 120.300 -0.024 0.000 2.725 762 Y HA 0.756 5.304 4.550 -0.003 0.000 0.333 762 Y C -0.327 175.491 175.900 -0.137 0.000 1.242 762 Y CA -1.265 56.737 58.100 -0.162 0.000 1.059 762 Y CB 0.874 39.025 38.460 -0.515 0.000 1.306 762 Y HN 1.003 nan 8.280 nan 0.000 0.454 763 V N -0.926 118.981 119.914 -0.012 0.000 3.074 763 V HA 1.006 5.124 4.120 -0.003 0.000 0.314 763 V C -0.498 175.647 176.094 0.086 0.000 1.117 763 V CA -0.249 62.028 62.300 -0.039 0.000 1.014 763 V CB 1.339 33.137 31.823 -0.042 0.000 1.057 763 V HN 1.400 nan 8.190 nan 0.000 0.438 764 T N -0.877 113.723 114.554 0.076 0.000 2.901 764 T HA 0.800 5.148 4.350 -0.003 0.000 0.293 764 T C -0.023 174.722 174.700 0.074 0.000 1.084 764 T CA 0.007 62.168 62.100 0.101 0.000 1.008 764 T CB 1.681 70.650 68.868 0.167 0.000 1.170 764 T HN 1.492 nan 8.240 nan 0.000 0.509 765 T N -0.394 114.196 114.554 0.058 0.000 2.910 765 T HA 0.477 4.825 4.350 -0.003 0.000 0.279 765 T C 1.291 175.995 174.700 0.005 0.000 0.989 765 T CA -0.795 61.317 62.100 0.020 0.000 0.968 765 T CB 0.867 69.726 68.868 -0.014 0.000 1.135 765 T HN 0.520 nan 8.240 nan 0.000 0.562 766 L N 0.163 121.359 121.223 -0.045 0.000 2.043 766 L HA 0.075 4.413 4.340 -0.003 0.000 0.212 766 L C 1.808 178.541 176.870 -0.228 0.000 1.075 766 L CA 1.789 56.572 54.840 -0.095 0.000 0.752 766 L CB -0.826 41.164 42.059 -0.115 0.000 0.891 766 L HN 0.700 nan 8.230 nan 0.000 0.432 767 L N -0.743 120.354 121.223 -0.210 0.000 2.728 767 L HA 0.136 4.474 4.340 -0.003 0.000 0.235 767 L C 0.103 176.826 176.870 -0.246 0.000 1.197 767 L CA -0.184 54.478 54.840 -0.297 0.000 0.992 767 L CB -0.602 41.366 42.059 -0.151 0.000 1.263 767 L HN 0.412 nan 8.230 nan 0.000 0.484 768 H N -1.239 117.824 119.070 -0.012 0.000 2.969 768 H HA -0.157 4.397 4.556 -0.003 0.000 0.269 768 H C 0.867 176.172 175.328 -0.039 0.000 1.230 768 H CA 0.395 56.435 56.048 -0.014 0.000 1.123 768 H CB -1.361 28.395 29.762 -0.010 0.000 1.289 768 H HN 0.429 nan 8.280 nan 0.000 0.364 769 R N 0.969 121.496 120.500 0.044 0.000 2.641 769 R HA 0.412 4.750 4.340 -0.003 0.000 0.269 769 R C 0.591 176.866 176.300 -0.042 0.000 1.074 769 R CA -0.211 55.873 56.100 -0.027 0.000 1.133 769 R CB 0.904 31.177 30.300 -0.045 0.000 1.029 769 R HN 0.316 nan 8.270 nan 0.000 0.488 770 R N 2.038 122.465 120.500 -0.121 0.000 2.807 770 R HA 0.401 4.739 4.340 -0.003 0.000 0.276 770 R C -1.370 174.808 176.300 -0.203 0.000 0.979 770 R CA -0.820 55.172 56.100 -0.179 0.000 0.928 770 R CB 1.508 31.588 30.300 -0.366 0.000 1.191 770 R HN 0.647 nan 8.270 nan 0.000 0.471 771 R N 3.333 123.722 120.500 -0.186 0.000 2.510 771 R HA 0.237 4.575 4.340 -0.003 0.000 0.294 771 R C -1.668 174.563 176.300 -0.115 0.000 1.056 771 R CA -0.542 55.490 56.100 -0.114 0.000 0.918 771 R CB 0.903 31.184 30.300 -0.032 0.000 1.187 771 R HN 0.546 nan 8.270 nan 0.000 0.437 772 Y N 4.147 124.494 120.300 0.078 0.000 2.359 772 Y HA 0.249 4.798 4.550 -0.003 0.000 0.330 772 Y C 0.403 176.352 175.900 0.081 0.000 1.143 772 Y CA -0.131 58.034 58.100 0.109 0.000 1.318 772 Y CB 1.089 39.590 38.460 0.068 0.000 1.234 772 Y HN 0.409 nan 8.280 nan 0.000 0.522 773 L N 6.476 127.828 121.223 0.215 0.000 2.556 773 L HA 0.259 4.597 4.340 -0.003 0.000 0.243 773 L C -1.687 175.255 176.870 0.120 0.000 1.331 773 L CA -1.357 53.559 54.840 0.128 0.000 0.927 773 L CB 1.129 43.218 42.059 0.050 0.000 1.219 773 L HN 0.517 nan 8.230 nan 0.000 0.490 774 P HA -0.148 nan 4.420 nan 0.000 0.222 774 P C 0.459 177.804 177.300 0.074 0.000 1.147 774 P CA 1.043 64.200 63.100 0.096 0.000 0.790 774 P CB 0.457 32.206 31.700 0.082 0.000 0.780 775 D N -0.389 120.061 120.400 0.082 0.000 2.371 775 D HA -0.031 4.607 4.640 -0.003 0.000 0.221 775 D C 1.752 178.084 176.300 0.053 0.000 0.986 775 D CA 0.239 54.284 54.000 0.075 0.000 0.899 775 D CB -0.679 40.186 40.800 0.109 0.000 0.902 775 D HN 0.206 nan 8.370 nan 0.000 0.530 776 I N 0.751 121.345 120.570 0.039 0.000 2.850 776 I HA -0.195 3.973 4.170 -0.003 0.000 0.266 776 I C 1.667 177.792 176.117 0.013 0.000 1.257 776 I CA 1.159 62.465 61.300 0.011 0.000 1.465 776 I CB 0.088 38.084 38.000 -0.006 0.000 1.091 776 I HN -0.025 nan 8.210 nan 0.000 0.467 777 T N -3.351 111.218 114.554 0.026 0.000 3.054 777 T HA 0.180 4.528 4.350 -0.003 0.000 0.255 777 T C 0.916 175.635 174.700 0.033 0.000 1.035 777 T CA 0.031 62.146 62.100 0.026 0.000 0.941 777 T CB -0.303 68.581 68.868 0.026 0.000 1.026 777 T HN 0.194 nan 8.240 nan 0.000 0.533 778 S N 1.033 116.755 115.700 0.037 0.000 2.558 778 S HA 0.196 4.664 4.470 -0.003 0.000 0.288 778 S C 0.962 175.593 174.600 0.051 0.000 1.318 778 S CA -0.507 57.718 58.200 0.043 0.000 1.056 778 S CB 0.521 63.748 63.200 0.045 0.000 0.853 778 S HN 0.351 nan 8.310 nan 0.000 0.505 779 R N 2.435 122.967 120.500 0.054 0.000 2.356 779 R HA 0.269 4.607 4.340 -0.003 0.000 0.234 779 R C 0.200 176.553 176.300 0.087 0.000 0.929 779 R CA 0.005 56.144 56.100 0.066 0.000 1.084 779 R CB -0.249 30.082 30.300 0.052 0.000 1.105 779 R HN 0.514 nan 8.270 nan 0.000 0.515 780 N N 0.404 119.156 118.700 0.086 0.000 2.437 780 N HA -0.035 4.703 4.740 -0.003 0.000 0.259 780 N C 0.343 175.935 175.510 0.136 0.000 0.983 780 N CA -0.145 52.969 53.050 0.107 0.000 0.937 780 N CB 0.501 39.032 38.487 0.073 0.000 1.122 780 N HN -0.043 nan 8.380 nan 0.000 0.499 781 F N 5.421 125.402 119.950 0.052 0.000 2.063 781 F HA -0.252 4.273 4.527 -0.003 0.000 0.298 781 F C 1.710 177.563 175.800 0.087 0.000 1.109 781 F CA 1.781 59.821 58.000 0.066 0.000 1.212 781 F CB -0.094 38.946 39.000 0.067 0.000 0.973 781 F HN 0.542 nan 8.300 nan 0.000 0.480 782 N N 0.330 119.040 118.700 0.017 0.000 2.120 782 N HA -0.152 4.586 4.740 -0.003 0.000 0.188 782 N C 2.073 177.552 175.510 -0.050 0.000 1.024 782 N CA 1.782 54.794 53.050 -0.064 0.000 0.852 782 N CB -0.741 37.783 38.487 0.062 0.000 1.003 782 N HN 0.270 nan 8.380 nan 0.000 0.424 783 V N 1.538 121.453 119.914 0.001 0.000 2.295 783 V HA -0.179 3.939 4.120 -0.003 0.000 0.246 783 V C 2.585 178.711 176.094 0.053 0.000 1.049 783 V CA 1.480 63.805 62.300 0.041 0.000 1.024 783 V CB -0.449 31.398 31.823 0.041 0.000 0.648 783 V HN 0.290 nan 8.190 nan 0.000 0.447 784 R N 0.050 120.543 120.500 -0.013 0.000 2.073 784 R HA -0.146 4.192 4.340 -0.003 0.000 0.234 784 R C 2.507 178.754 176.300 -0.088 0.000 1.134 784 R CA 1.863 57.945 56.100 -0.031 0.000 0.952 784 R CB -0.324 29.959 30.300 -0.028 0.000 0.850 784 R HN 0.495 nan 8.270 nan 0.000 0.433 785 S N 0.468 116.028 115.700 -0.233 0.000 2.370 785 S HA -0.177 4.291 4.470 -0.003 0.000 0.226 785 S C 1.430 175.985 174.600 -0.075 0.000 1.033 785 S CA 1.435 59.481 58.200 -0.256 0.000 1.011 785 S CB -0.432 62.447 63.200 -0.536 0.000 0.852 785 S HN 0.403 nan 8.310 nan 0.000 0.457 786 F N 2.610 122.490 119.950 -0.117 0.000 2.102 786 F HA -0.100 4.424 4.527 -0.004 0.000 0.298 786 F C 2.328 178.109 175.800 -0.032 0.000 1.105 786 F CA 1.034 59.005 58.000 -0.048 0.000 1.239 786 F CB -0.836 38.148 39.000 -0.027 0.000 0.991 786 F HN 0.170 nan 8.300 nan 0.000 0.474 787 A N 0.184 122.979 122.820 -0.043 0.000 1.940 787 A HA -0.221 4.097 4.320 -0.003 0.000 0.219 787 A C 2.109 179.588 177.584 -0.175 0.000 1.176 787 A CA 1.960 53.929 52.037 -0.114 0.000 0.631 787 A CB -0.894 18.115 19.000 0.015 0.000 0.814 787 A HN 0.601 nan 8.150 nan 0.000 0.446 788 E N -0.629 119.487 120.200 -0.140 0.000 2.106 788 E HA -0.159 4.189 4.350 -0.003 0.000 0.192 788 E C 2.284 178.788 176.600 -0.160 0.000 0.984 788 E CA 0.928 57.249 56.400 -0.132 0.000 0.806 788 E CB -0.175 29.464 29.700 -0.102 0.000 0.750 788 E HN 0.538 nan 8.360 nan 0.000 0.458 789 R N 0.004 120.387 120.500 -0.195 0.000 2.115 789 R HA -0.015 4.323 4.340 -0.003 0.000 0.230 789 R C 2.203 178.359 176.300 -0.239 0.000 1.111 789 R CA 0.929 56.920 56.100 -0.182 0.000 0.976 789 R CB -0.010 30.192 30.300 -0.163 0.000 0.870 789 R HN 0.158 nan 8.270 nan 0.000 0.445 790 M N -0.283 119.089 119.600 -0.381 0.000 2.319 790 M HA 0.004 4.482 4.480 -0.003 0.000 0.265 790 M C 2.291 178.489 176.300 -0.171 0.000 1.068 790 M CA 1.033 56.140 55.300 -0.321 0.000 1.118 790 M CB -0.783 31.558 32.600 -0.431 0.000 1.395 790 M HN 0.132 nan 8.290 nan 0.000 0.435 791 A N -0.086 122.638 122.820 -0.161 0.000 1.902 791 A HA -0.169 4.149 4.320 -0.003 0.000 0.217 791 A C 2.289 179.808 177.584 -0.109 0.000 1.181 791 A CA 1.711 53.673 52.037 -0.124 0.000 0.623 791 A CB -0.571 18.346 19.000 -0.139 0.000 0.818 791 A HN 0.504 nan 8.150 nan 0.000 0.443 792 M N -0.776 118.755 119.600 -0.114 0.000 2.236 792 M HA -0.059 4.419 4.480 -0.003 0.000 0.266 792 M C 1.989 178.333 176.300 0.074 0.000 1.070 792 M CA 1.629 56.899 55.300 -0.050 0.000 1.137 792 M CB -0.189 32.383 32.600 -0.047 0.000 1.378 792 M HN 0.576 nan 8.290 nan 0.000 0.426 793 N N -0.868 117.826 118.700 -0.011 0.000 2.250 793 N HA -0.123 4.615 4.740 -0.003 0.000 0.181 793 N C 1.231 176.729 175.510 -0.020 0.000 1.017 793 N CA 1.738 54.775 53.050 -0.022 0.000 0.866 793 N CB 0.056 38.506 38.487 -0.061 0.000 0.985 793 N HN 0.320 nan 8.380 nan 0.000 0.429 794 T N 1.575 116.115 114.554 -0.024 0.000 2.720 794 T HA -0.062 4.286 4.350 -0.003 0.000 0.268 794 T C -1.023 173.677 174.700 -0.001 0.000 1.037 794 T CA 1.185 63.276 62.100 -0.015 0.000 1.144 794 T CB -0.972 67.883 68.868 -0.021 0.000 0.864 794 T HN 0.384 nan 8.240 nan 0.000 0.444 795 P HA 0.072 nan 4.420 nan 0.000 0.220 795 P C 1.250 178.545 177.300 -0.008 0.000 1.148 795 P CA 0.778 63.902 63.100 0.041 0.000 0.803 795 P CB -0.098 31.681 31.700 0.131 0.000 0.782 796 I N -0.957 119.603 120.570 -0.018 0.000 2.188 796 I HA -0.205 3.963 4.170 -0.003 0.000 0.237 796 I C 2.667 178.725 176.117 -0.099 0.000 1.073 796 I CA 1.329 62.582 61.300 -0.078 0.000 1.359 796 I CB -0.666 37.283 38.000 -0.086 0.000 1.083 796 I HN -0.081 nan 8.210 nan 0.000 0.412 797 Q N 1.021 120.767 119.800 -0.090 0.000 2.119 797 Q HA -0.150 4.188 4.340 -0.003 0.000 0.201 797 Q C 2.141 178.108 176.000 -0.055 0.000 0.972 797 Q CA 1.826 57.576 55.803 -0.088 0.000 0.847 797 Q CB -0.213 28.483 28.738 -0.070 0.000 0.903 797 Q HN 0.560 nan 8.270 nan 0.000 0.433 798 G N -0.480 108.298 108.800 -0.037 0.000 2.408 798 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.217 798 G HA3 -0.185 3.773 3.960 -0.003 0.000 0.217 798 G C 1.447 176.322 174.900 -0.043 0.000 1.150 798 G CA 0.778 45.864 45.100 -0.023 0.000 0.776 798 G HN 0.329 nan 8.290 nan 0.000 0.542 799 S N 0.929 116.591 115.700 -0.064 0.000 2.383 799 S HA 0.067 4.535 4.470 -0.003 0.000 0.227 799 S C 2.744 177.267 174.600 -0.128 0.000 1.026 799 S CA 0.975 59.119 58.200 -0.093 0.000 0.981 799 S CB -0.235 62.906 63.200 -0.100 0.000 0.818 799 S HN 0.549 nan 8.310 nan 0.000 0.472 800 A N 1.458 124.195 122.820 -0.137 0.000 1.972 800 A HA 0.141 4.459 4.320 -0.003 0.000 0.219 800 A C 2.289 179.800 177.584 -0.122 0.000 1.169 800 A CA 1.581 53.511 52.037 -0.179 0.000 0.635 800 A CB -0.862 18.038 19.000 -0.167 0.000 0.810 800 A HN 0.500 nan 8.150 nan 0.000 0.446 801 A N 0.141 122.928 122.820 -0.056 0.000 1.898 801 A HA -0.132 4.186 4.320 -0.003 0.000 0.216 801 A C 1.761 179.335 177.584 -0.017 0.000 1.181 801 A CA 1.709 53.746 52.037 -0.001 0.000 0.620 801 A CB -0.521 18.501 19.000 0.038 0.000 0.819 801 A HN 0.438 nan 8.150 nan 0.000 0.442 802 D N 0.303 120.678 120.400 -0.042 0.000 2.104 802 D HA -0.154 4.484 4.640 -0.003 0.000 0.194 802 D C 1.864 178.125 176.300 -0.064 0.000 0.994 802 D CA 1.341 55.311 54.000 -0.049 0.000 0.830 802 D CB -0.406 40.351 40.800 -0.072 0.000 0.959 802 D HN 0.526 nan 8.370 nan 0.000 0.452 803 I N 0.701 121.206 120.570 -0.109 0.000 2.142 803 I HA -0.224 3.944 4.170 -0.003 0.000 0.240 803 I C 2.583 178.667 176.117 -0.054 0.000 1.078 803 I CA 0.757 61.980 61.300 -0.129 0.000 1.343 803 I CB -0.138 37.705 38.000 -0.262 0.000 1.046 803 I HN -0.041 nan 8.210 nan 0.000 0.405 804 I N 0.689 121.238 120.570 -0.036 0.000 2.394 804 I HA -0.281 3.887 4.170 -0.003 0.000 0.251 804 I C 2.428 178.582 176.117 0.062 0.000 1.136 804 I CA 1.477 62.845 61.300 0.114 0.000 1.425 804 I CB -0.099 38.005 38.000 0.173 0.000 1.079 804 I HN 0.159 nan 8.210 nan 0.000 0.425 805 K N 0.543 120.954 120.400 0.018 0.000 2.057 805 K HA -0.238 4.080 4.320 -0.003 0.000 0.206 805 K C 2.170 178.768 176.600 -0.002 0.000 1.050 805 K CA 1.447 57.735 56.287 0.002 0.000 0.935 805 K CB -0.127 32.374 32.500 0.002 0.000 0.715 805 K HN 0.239 nan 8.250 nan 0.000 0.439 806 K N 0.802 121.199 120.400 -0.005 0.000 2.097 806 K HA -0.085 4.233 4.320 -0.003 0.000 0.205 806 K C 2.056 178.658 176.600 0.003 0.000 1.050 806 K CA 1.065 57.346 56.287 -0.010 0.000 0.938 806 K CB -0.041 32.444 32.500 -0.024 0.000 0.718 806 K HN 0.103 nan 8.250 nan 0.000 0.442 807 A N 1.242 124.082 122.820 0.032 0.000 1.933 807 A HA -0.178 4.140 4.320 -0.003 0.000 0.218 807 A C 2.104 179.697 177.584 0.015 0.000 1.175 807 A CA 1.690 53.756 52.037 0.048 0.000 0.628 807 A CB -0.463 18.617 19.000 0.134 0.000 0.814 807 A HN 0.348 nan 8.150 nan 0.000 0.444 808 M N -0.800 118.806 119.600 0.010 0.000 2.117 808 M HA -0.108 4.370 4.480 -0.003 0.000 0.262 808 M C 2.075 178.363 176.300 -0.020 0.000 1.065 808 M CA 1.596 56.889 55.300 -0.013 0.000 1.114 808 M CB -0.511 32.072 32.600 -0.029 0.000 1.361 808 M HN 0.404 nan 8.290 nan 0.000 0.408 809 I N 0.101 120.660 120.570 -0.018 0.000 2.179 809 I HA -0.296 3.872 4.170 -0.003 0.000 0.242 809 I C 1.839 177.942 176.117 -0.022 0.000 1.088 809 I CA 1.143 62.430 61.300 -0.021 0.000 1.357 809 I CB -0.580 37.409 38.000 -0.020 0.000 1.051 809 I HN 0.244 nan 8.210 nan 0.000 0.409 810 D N 0.673 121.061 120.400 -0.020 0.000 2.144 810 D HA -0.166 4.472 4.640 -0.003 0.000 0.199 810 D C 2.003 178.283 176.300 -0.034 0.000 0.984 810 D CA 1.077 55.062 54.000 -0.025 0.000 0.834 810 D CB -0.305 40.483 40.800 -0.020 0.000 0.955 810 D HN 0.175 nan 8.370 nan 0.000 0.465 811 L N 1.161 122.364 121.223 -0.035 0.000 2.017 811 L HA -0.123 4.216 4.340 -0.003 0.000 0.208 811 L C 1.555 178.395 176.870 -0.050 0.000 1.073 811 L CA 1.716 56.526 54.840 -0.050 0.000 0.745 811 L CB -0.768 41.261 42.059 -0.051 0.000 0.894 811 L HN -0.147 nan 8.230 nan 0.000 0.432 812 N N -0.032 118.647 118.700 -0.035 0.000 2.223 812 N HA -0.112 4.626 4.740 -0.003 0.000 0.185 812 N C 1.797 177.288 175.510 -0.032 0.000 1.016 812 N CA 1.423 54.456 53.050 -0.028 0.000 0.863 812 N CB -0.404 38.072 38.487 -0.018 0.000 0.983 812 N HN 0.555 nan 8.380 nan 0.000 0.429 813 A N 0.777 123.577 122.820 -0.034 0.000 1.898 813 A HA -0.075 4.243 4.320 -0.003 0.000 0.216 813 A C 2.162 179.722 177.584 -0.041 0.000 1.181 813 A CA 1.036 53.052 52.037 -0.034 0.000 0.620 813 A CB -0.172 18.809 19.000 -0.031 0.000 0.819 813 A HN 0.092 nan 8.150 nan 0.000 0.442 814 R N -0.328 120.142 120.500 -0.050 0.000 2.073 814 R HA 0.033 4.371 4.340 -0.003 0.000 0.229 814 R C 2.067 178.324 176.300 -0.070 0.000 1.120 814 R CA 1.039 57.103 56.100 -0.061 0.000 0.967 814 R CB -0.977 29.280 30.300 -0.072 0.000 0.862 814 R HN 0.583 nan 8.270 nan 0.000 0.436 815 L N 0.710 121.890 121.223 -0.073 0.000 2.083 815 L HA -0.167 4.171 4.340 -0.003 0.000 0.209 815 L C 2.670 179.505 176.870 -0.059 0.000 1.083 815 L CA 1.406 56.198 54.840 -0.079 0.000 0.752 815 L CB -0.398 41.619 42.059 -0.071 0.000 0.899 815 L HN 0.170 nan 8.230 nan 0.000 0.433 816 K N 0.414 120.788 120.400 -0.043 0.000 2.062 816 K HA -0.164 4.154 4.320 -0.003 0.000 0.205 816 K C 1.926 178.504 176.600 -0.038 0.000 1.051 816 K CA 1.231 57.498 56.287 -0.033 0.000 0.941 816 K CB 0.086 32.570 32.500 -0.026 0.000 0.719 816 K HN 0.327 nan 8.250 nan 0.000 0.440 817 E N 0.331 120.505 120.200 -0.042 0.000 2.110 817 E HA -0.170 4.178 4.350 -0.003 0.000 0.193 817 E C 1.565 178.137 176.600 -0.047 0.000 0.988 817 E CA 0.899 57.274 56.400 -0.041 0.000 0.804 817 E CB 0.087 29.761 29.700 -0.043 0.000 0.745 817 E HN 0.281 nan 8.360 nan 0.000 0.458 818 E N 0.362 120.527 120.200 -0.059 0.000 2.502 818 E HA 0.000 4.348 4.350 -0.003 0.000 0.194 818 E C 0.067 176.627 176.600 -0.067 0.000 1.062 818 E CA 0.080 56.438 56.400 -0.069 0.000 0.867 818 E CB 0.179 29.825 29.700 -0.090 0.000 0.888 818 E HN 0.041 nan 8.360 nan 0.000 0.510 819 R N -0.305 120.161 120.500 -0.055 0.000 3.525 819 R HA -0.172 4.166 4.340 -0.003 0.000 0.276 819 R C -0.395 175.868 176.300 -0.062 0.000 1.116 819 R CA 0.251 56.323 56.100 -0.046 0.000 0.745 819 R CB -2.612 27.665 30.300 -0.038 0.000 1.185 819 R HN 0.144 nan 8.270 nan 0.000 0.454 820 L N 0.035 121.207 121.223 -0.084 0.000 2.395 820 L HA 0.103 4.441 4.340 -0.003 0.000 0.269 820 L C 1.789 178.598 176.870 -0.101 0.000 1.133 820 L CA -0.040 54.725 54.840 -0.125 0.000 0.812 820 L CB 0.755 42.713 42.059 -0.169 0.000 1.125 820 L HN 0.251 nan 8.230 nan 0.000 0.452 821 Q N 1.716 121.427 119.800 -0.148 0.000 2.432 821 Q HA 0.131 4.469 4.340 -0.003 0.000 0.205 821 Q C 0.576 176.488 176.000 -0.146 0.000 0.945 821 Q CA -0.033 55.724 55.803 -0.077 0.000 0.924 821 Q CB 0.302 28.988 28.738 -0.087 0.000 1.016 821 Q HN 0.781 nan 8.270 nan 0.000 0.503 822 A N 2.308 124.946 122.820 -0.303 0.000 2.531 822 A HA 0.062 4.380 4.320 -0.003 0.000 0.236 822 A C -0.160 177.353 177.584 -0.118 0.000 1.062 822 A CA 0.290 52.121 52.037 -0.343 0.000 0.760 822 A CB -0.105 18.686 19.000 -0.347 0.000 0.995 822 A HN 0.427 nan 8.150 nan 0.000 0.501 823 H N 0.035 119.106 119.070 0.001 0.000 3.046 823 H HA 0.505 5.060 4.556 -0.003 0.000 0.361 823 H C -1.459 173.886 175.328 0.028 0.000 1.235 823 H CA -1.147 54.918 56.048 0.028 0.000 1.146 823 H CB 0.578 30.389 29.762 0.082 0.000 1.859 823 H HN 0.495 nan 8.280 nan 0.000 0.548 824 L N 2.106 123.448 121.223 0.198 0.000 2.456 824 L HA 0.027 4.365 4.340 -0.003 0.000 0.272 824 L C 0.969 177.946 176.870 0.178 0.000 1.189 824 L CA -0.113 54.800 54.840 0.122 0.000 0.846 824 L CB 0.599 42.689 42.059 0.052 0.000 1.111 824 L HN 0.588 nan 8.230 nan 0.000 0.475 825 L N 3.265 124.556 121.223 0.113 0.000 2.600 825 L HA 0.350 4.688 4.340 -0.003 0.000 0.213 825 L C -0.083 176.854 176.870 0.111 0.000 1.045 825 L CA 0.201 55.107 54.840 0.109 0.000 0.863 825 L CB 0.455 42.539 42.059 0.042 0.000 1.189 825 L HN 0.417 nan 8.230 nan 0.000 0.484 826 L N -0.548 120.697 121.223 0.038 0.000 2.469 826 L HA 0.469 4.807 4.340 -0.003 0.000 0.256 826 L C -1.156 175.708 176.870 -0.011 0.000 1.006 826 L CA -0.527 54.377 54.840 0.107 0.000 0.832 826 L CB 2.346 44.408 42.059 0.005 0.000 1.421 826 L HN -0.105 nan 8.230 nan 0.000 0.410 827 Q N 1.485 121.255 119.800 -0.050 0.000 2.337 827 Q HA 0.492 4.830 4.340 -0.003 0.000 0.270 827 Q C -1.780 174.194 176.000 -0.042 0.000 1.043 827 Q CA -0.434 55.304 55.803 -0.107 0.000 0.794 827 Q CB 2.614 31.191 28.738 -0.268 0.000 1.281 827 Q HN 0.517 nan 8.270 nan 0.000 0.446 828 V N 6.365 126.265 119.914 -0.022 0.000 2.572 828 V HA 0.225 4.343 4.120 -0.003 0.000 0.274 828 V C 0.222 176.278 176.094 -0.064 0.000 1.075 828 V CA -0.307 61.935 62.300 -0.097 0.000 1.237 828 V CB -0.321 31.561 31.823 0.098 0.000 1.517 828 V HN 0.923 nan 8.190 nan 0.000 0.616 829 H N 1.667 120.821 119.070 0.140 0.000 4.905 829 H HA -0.211 4.343 4.556 -0.003 0.000 0.065 829 H C 1.291 176.697 175.328 0.130 0.000 0.584 829 H CA 2.256 58.380 56.048 0.127 0.000 0.984 829 H CB -0.898 28.951 29.762 0.145 0.000 0.446 829 H HN 0.822 nan 8.280 nan 0.000 0.786 830 D N 1.618 122.186 120.400 0.280 0.000 2.563 830 D HA 0.193 4.831 4.640 -0.003 0.000 0.237 830 D C 0.377 176.849 176.300 0.286 0.000 1.282 830 D CA 0.560 54.736 54.000 0.293 0.000 0.816 830 D CB 0.512 41.459 40.800 0.244 0.000 1.066 830 D HN 0.753 nan 8.370 nan 0.000 0.501 831 E N 0.036 120.351 120.200 0.192 0.000 2.390 831 E HA 0.556 4.904 4.350 -0.003 0.000 0.277 831 E C -1.478 175.171 176.600 0.082 0.000 0.939 831 E CA -1.056 55.417 56.400 0.123 0.000 0.769 831 E CB 1.723 31.508 29.700 0.141 0.000 1.251 831 E HN -0.028 nan 8.360 nan 0.000 0.450 832 L N 2.317 123.572 121.223 0.053 0.000 2.365 832 L HA 0.541 4.879 4.340 -0.003 0.000 0.273 832 L C -0.726 176.172 176.870 0.048 0.000 1.000 832 L CA -1.313 53.547 54.840 0.034 0.000 0.819 832 L CB 1.621 43.692 42.059 0.021 0.000 1.284 832 L HN 0.549 nan 8.230 nan 0.000 0.418 833 I N 4.218 124.783 120.570 -0.007 0.000 2.378 833 I HA 0.511 4.679 4.170 -0.003 0.000 0.291 833 I C -0.254 175.851 176.117 -0.020 0.000 0.992 833 I CA -0.385 60.876 61.300 -0.064 0.000 1.154 833 I CB 1.567 39.370 38.000 -0.328 0.000 1.315 833 I HN 0.395 nan 8.210 nan 0.000 0.448 834 L N 5.551 126.805 121.223 0.052 0.000 2.257 834 L HA 0.626 4.964 4.340 -0.003 0.000 0.257 834 L C -0.035 176.860 176.870 0.042 0.000 1.033 834 L CA -0.578 54.287 54.840 0.042 0.000 0.835 834 L CB 1.589 43.653 42.059 0.009 0.000 1.398 834 L HN 0.657 nan 8.230 nan 0.000 0.429 835 E N 0.267 120.454 120.200 -0.022 0.000 2.340 835 E HA 0.927 5.275 4.350 -0.003 0.000 0.273 835 E C -1.559 174.952 176.600 -0.148 0.000 0.891 835 E CA -1.095 55.325 56.400 0.034 0.000 0.757 835 E CB 2.597 32.394 29.700 0.161 0.000 1.231 835 E HN 0.745 nan 8.360 nan 0.000 0.439 836 A N 2.224 124.907 122.820 -0.229 0.000 2.586 836 A HA 0.597 4.915 4.320 -0.003 0.000 0.291 836 A C -2.985 173.930 177.584 -1.115 0.000 1.062 836 A CA -1.404 50.096 52.037 -0.894 0.000 0.666 836 A CB 1.175 19.802 19.000 -0.621 0.000 1.281 836 A HN 0.502 nan 8.150 nan 0.000 0.421 837 P HA 0.082 nan 4.420 nan 0.000 0.267 837 P C 0.514 177.514 177.300 -0.499 0.000 1.200 837 P CA 0.127 62.564 63.100 -1.106 0.000 0.772 837 P CB 0.533 31.765 31.700 -0.780 0.000 0.855 838 K N 2.105 122.355 120.400 -0.250 0.000 2.211 838 K HA -0.203 4.115 4.320 -0.003 0.000 0.204 838 K C 0.761 177.249 176.600 -0.185 0.000 1.047 838 K CA 1.742 57.937 56.287 -0.153 0.000 0.935 838 K CB -0.422 32.057 32.500 -0.035 0.000 0.728 838 K HN 0.274 nan 8.250 nan 0.000 0.452 839 E N 1.199 121.286 120.200 -0.187 0.000 2.478 839 E HA -0.072 4.276 4.350 -0.003 0.000 0.198 839 E C 0.846 177.322 176.600 -0.207 0.000 1.046 839 E CA 0.781 57.084 56.400 -0.163 0.000 0.870 839 E CB 0.185 29.808 29.700 -0.129 0.000 0.818 839 E HN 0.501 nan 8.360 nan 0.000 0.527 840 E N -0.569 119.460 120.200 -0.285 0.000 2.498 840 E HA 0.077 4.425 4.350 -0.003 0.000 0.203 840 E C 1.253 177.650 176.600 -0.338 0.000 1.013 840 E CA -0.172 56.043 56.400 -0.308 0.000 0.927 840 E CB 0.226 29.701 29.700 -0.375 0.000 1.012 840 E HN 0.199 nan 8.360 nan 0.000 0.482 841 M N 0.895 120.282 119.600 -0.354 0.000 2.065 841 M HA -0.192 4.286 4.480 -0.003 0.000 0.259 841 M C 1.865 177.983 176.300 -0.303 0.000 1.069 841 M CA 1.720 56.759 55.300 -0.434 0.000 1.110 841 M CB -0.925 31.233 32.600 -0.736 0.000 1.328 841 M HN 0.138 nan 8.290 nan 0.000 0.405 842 E N -0.430 119.644 120.200 -0.211 0.000 2.085 842 E HA -0.203 4.145 4.350 -0.003 0.000 0.194 842 E C 2.220 178.733 176.600 -0.144 0.000 0.994 842 E CA 1.022 57.354 56.400 -0.113 0.000 0.801 842 E CB -0.205 29.451 29.700 -0.072 0.000 0.743 842 E HN 0.495 nan 8.360 nan 0.000 0.453 843 R N 0.361 120.746 120.500 -0.190 0.000 2.092 843 R HA -0.048 4.290 4.340 -0.003 0.000 0.231 843 R C 2.493 178.626 176.300 -0.279 0.000 1.119 843 R CA 0.726 56.704 56.100 -0.202 0.000 0.970 843 R CB -0.199 29.983 30.300 -0.197 0.000 0.864 843 R HN 0.209 nan 8.270 nan 0.000 0.440 844 L N -0.272 120.712 121.223 -0.398 0.000 2.141 844 L HA -0.182 4.156 4.340 -0.003 0.000 0.209 844 L C 2.489 179.023 176.870 -0.561 0.000 1.094 844 L CA 0.728 55.182 54.840 -0.643 0.000 0.763 844 L CB -0.443 40.947 42.059 -1.116 0.000 0.908 844 L HN 0.288 nan 8.230 nan 0.000 0.437 845 C N -0.227 118.904 119.300 -0.282 0.000 2.410 845 C HA -0.143 4.315 4.460 -0.003 0.000 0.281 845 C C 2.924 177.655 174.990 -0.432 0.000 1.318 845 C CA 0.879 59.731 59.018 -0.276 0.000 1.776 845 C CB -0.993 26.750 27.740 0.004 0.000 1.942 845 C HN 0.442 nan 8.230 nan 0.000 0.508 846 R N -0.837 119.505 120.500 -0.263 0.000 2.105 846 R HA 0.083 4.421 4.340 -0.003 0.000 0.214 846 R C 2.043 178.225 176.300 -0.196 0.000 1.091 846 R CA 0.472 56.454 56.100 -0.196 0.000 1.007 846 R CB -0.391 29.834 30.300 -0.124 0.000 0.912 846 R HN 0.332 nan 8.270 nan 0.000 0.450 847 L N 0.722 121.812 121.223 -0.222 0.000 2.023 847 L HA -0.078 4.260 4.340 -0.003 0.000 0.205 847 L C 1.958 178.711 176.870 -0.196 0.000 1.073 847 L CA 1.596 56.317 54.840 -0.197 0.000 0.745 847 L CB -0.402 41.530 42.059 -0.211 0.000 0.900 847 L HN -0.113 nan 8.230 nan 0.000 0.435 848 V N 0.696 120.455 119.914 -0.258 0.000 2.255 848 V HA -0.210 3.908 4.120 -0.003 0.000 0.247 848 V C -0.037 175.984 176.094 -0.122 0.000 1.051 848 V CA 2.411 64.599 62.300 -0.187 0.000 1.018 848 V CB -1.989 29.726 31.823 -0.180 0.000 0.641 848 V HN 0.352 nan 8.190 nan 0.000 0.445 849 P HA -0.163 nan 4.420 nan 0.000 0.215 849 P C 1.633 178.888 177.300 -0.074 0.000 1.153 849 P CA 1.516 64.561 63.100 -0.092 0.000 0.853 849 P CB 0.073 31.721 31.700 -0.087 0.000 0.788 850 E N -0.161 119.990 120.200 -0.082 0.000 2.051 850 E HA -0.143 4.205 4.350 -0.003 0.000 0.192 850 E C 1.835 178.409 176.600 -0.044 0.000 0.991 850 E CA 1.313 57.680 56.400 -0.054 0.000 0.799 850 E CB -1.232 28.429 29.700 -0.064 0.000 0.748 850 E HN -0.089 nan 8.360 nan 0.000 0.449 851 V N 0.612 120.490 119.914 -0.060 0.000 2.343 851 V HA -0.291 3.827 4.120 -0.003 0.000 0.247 851 V C 2.486 178.571 176.094 -0.015 0.000 1.051 851 V CA 2.200 64.474 62.300 -0.043 0.000 1.036 851 V CB -0.523 31.264 31.823 -0.060 0.000 0.654 851 V HN 0.354 nan 8.190 nan 0.000 0.451 852 M N -0.595 118.983 119.600 -0.037 0.000 2.132 852 M HA -0.180 4.298 4.480 -0.003 0.000 0.263 852 M C 2.186 178.562 176.300 0.127 0.000 1.065 852 M CA 1.825 57.121 55.300 -0.008 0.000 1.122 852 M CB -0.493 31.943 32.600 -0.274 0.000 1.365 852 M HN 0.361 nan 8.290 nan 0.000 0.411 853 E N -0.174 120.061 120.200 0.057 0.000 2.204 853 E HA -0.153 4.195 4.350 -0.003 0.000 0.194 853 E C 1.696 178.335 176.600 0.064 0.000 0.989 853 E CA 0.678 57.139 56.400 0.103 0.000 0.824 853 E CB 0.053 29.782 29.700 0.048 0.000 0.756 853 E HN 0.454 nan 8.360 nan 0.000 0.477 854 Q N -0.510 119.309 119.800 0.032 0.000 2.319 854 Q HA 0.201 4.539 4.340 -0.003 0.000 0.202 854 Q C 1.696 177.697 176.000 0.001 0.000 0.896 854 Q CA 0.266 56.074 55.803 0.007 0.000 0.942 854 Q CB 0.690 29.424 28.738 -0.006 0.000 1.083 854 Q HN 0.201 nan 8.270 nan 0.000 0.510 855 A N 1.013 123.847 122.820 0.022 0.000 1.927 855 A HA -0.076 4.242 4.320 -0.003 0.000 0.220 855 A C 1.321 178.887 177.584 -0.031 0.000 1.185 855 A CA 1.907 53.948 52.037 0.007 0.000 0.639 855 A CB -0.227 18.798 19.000 0.041 0.000 0.820 855 A HN 0.241 nan 8.150 nan 0.000 0.451 856 V N -5.419 114.464 119.914 -0.053 0.000 3.130 856 V HA 0.726 4.844 4.120 -0.003 0.000 0.310 856 V C -0.647 175.391 176.094 -0.094 0.000 1.158 856 V CA -0.541 61.706 62.300 -0.089 0.000 1.029 856 V CB 1.704 33.442 31.823 -0.141 0.000 1.057 856 V HN 0.028 nan 8.190 nan 0.000 0.436 857 T N 3.951 118.445 114.554 -0.100 0.000 2.772 857 T HA 0.706 5.054 4.350 -0.003 0.000 0.288 857 T C -0.276 174.344 174.700 -0.134 0.000 0.994 857 T CA -0.201 61.849 62.100 -0.084 0.000 0.951 857 T CB 0.609 69.453 68.868 -0.040 0.000 0.933 857 T HN 0.627 nan 8.240 nan 0.000 0.447 858 L N 2.191 123.319 121.223 -0.159 0.000 2.347 858 L HA 0.564 4.902 4.340 -0.003 0.000 0.268 858 L C 1.711 178.622 176.870 0.069 0.000 1.019 858 L CA -1.196 53.509 54.840 -0.225 0.000 0.806 858 L CB 1.105 42.948 42.059 -0.361 0.000 1.339 858 L HN 0.509 nan 8.230 nan 0.000 0.463 859 R N -0.143 120.562 120.500 0.342 0.000 2.280 859 R HA 0.032 4.370 4.340 -0.003 0.000 0.207 859 R C -0.123 176.241 176.300 0.106 0.000 1.043 859 R CA 0.379 56.592 56.100 0.188 0.000 1.006 859 R CB -0.078 30.305 30.300 0.139 0.000 0.885 859 R HN 0.512 nan 8.270 nan 0.000 0.467 860 V N -2.734 117.228 119.914 0.080 0.000 3.040 860 V HA 0.587 4.705 4.120 -0.003 0.000 0.312 860 V C -2.816 173.279 176.094 0.003 0.000 1.115 860 V CA -3.194 59.139 62.300 0.054 0.000 0.998 860 V CB 2.215 34.080 31.823 0.071 0.000 1.042 860 V HN -0.203 nan 8.190 nan 0.000 0.433 861 P HA 0.474 nan 4.420 nan 0.000 0.274 861 P C -0.948 176.331 177.300 -0.034 0.000 1.246 861 P CA -0.307 62.795 63.100 0.004 0.000 0.795 861 P CB 0.494 32.215 31.700 0.035 0.000 1.006 862 L N 1.352 122.567 121.223 -0.012 0.000 2.334 862 L HA 0.534 4.872 4.340 -0.003 0.000 0.276 862 L C 0.349 177.259 176.870 0.067 0.000 1.014 862 L CA -0.638 54.209 54.840 0.011 0.000 0.815 862 L CB 1.562 43.654 42.059 0.055 0.000 1.268 862 L HN 0.292 nan 8.230 nan 0.000 0.428 863 K N 2.317 122.774 120.400 0.094 0.000 2.443 863 K HA 0.653 4.971 4.320 -0.003 0.000 0.252 863 K C -1.820 174.833 176.600 0.088 0.000 0.933 863 K CA -0.543 55.794 56.287 0.083 0.000 0.792 863 K CB 2.298 34.840 32.500 0.070 0.000 1.185 863 K HN 0.329 nan 8.250 nan 0.000 0.425 864 V N 3.763 123.701 119.914 0.039 0.000 2.487 864 V HA 0.291 4.409 4.120 -0.003 0.000 0.298 864 V C -0.677 175.449 176.094 0.054 0.000 1.028 864 V CA -0.901 61.385 62.300 -0.024 0.000 0.860 864 V CB 1.791 33.524 31.823 -0.149 0.000 0.991 864 V HN 0.822 nan 8.190 nan 0.000 0.427 865 D N 3.101 123.501 120.400 0.001 0.000 2.277 865 D HA 0.625 5.263 4.640 -0.003 0.000 0.250 865 D C -0.906 175.305 176.300 -0.148 0.000 1.032 865 D CA 0.167 54.093 54.000 -0.122 0.000 0.947 865 D CB 2.138 42.862 40.800 -0.126 0.000 1.159 865 D HN 0.594 nan 8.370 nan 0.000 0.460 866 Y N -2.239 117.755 120.300 -0.509 0.000 2.609 866 Y HA 0.609 5.157 4.550 -0.003 0.000 0.336 866 Y C -0.901 174.371 175.900 -1.048 0.000 1.129 866 Y CA -0.965 56.755 58.100 -0.633 0.000 1.040 866 Y CB 1.608 39.828 38.460 -0.399 0.000 1.310 866 Y HN 0.292 nan 8.280 nan 0.000 0.460 867 H N 0.731 119.608 119.070 -0.322 0.000 3.042 867 H HA 0.461 5.015 4.556 -0.003 0.000 0.346 867 H C -1.811 173.357 175.328 -0.267 0.000 1.294 867 H CA -0.967 54.905 56.048 -0.294 0.000 1.141 867 H CB 2.681 32.299 29.762 -0.240 0.000 1.872 867 H HN 0.891 nan 8.280 nan 0.000 0.541 868 Y N -1.301 118.979 120.300 -0.033 0.000 2.597 868 Y HA 0.744 5.292 4.550 -0.003 0.000 0.340 868 Y C -0.414 175.537 175.900 0.085 0.000 1.097 868 Y CA -0.756 57.357 58.100 0.023 0.000 1.037 868 Y CB 1.710 40.242 38.460 0.120 0.000 1.305 868 Y HN 0.965 nan 8.280 nan 0.000 0.463 869 G N -0.039 108.945 108.800 0.307 0.000 2.488 869 G HA2 0.360 4.318 3.960 -0.003 0.000 0.301 869 G HA3 0.360 4.318 3.960 -0.003 0.000 0.301 869 G C -0.658 174.385 174.900 0.240 0.000 1.339 869 G CA -0.458 44.772 45.100 0.217 0.000 0.803 869 G HN 0.629 nan 8.290 nan 0.000 0.482 870 S N -0.812 115.006 115.700 0.197 0.000 2.453 870 S HA 0.164 4.632 4.470 -0.003 0.000 0.231 870 S C 1.238 175.955 174.600 0.196 0.000 1.005 870 S CA 1.558 59.867 58.200 0.182 0.000 0.949 870 S CB -0.234 63.052 63.200 0.144 0.000 0.774 870 S HN 1.285 nan 8.310 nan 0.000 0.510 871 T N -3.566 111.126 114.554 0.231 0.000 2.865 871 T HA 0.339 4.687 4.350 -0.003 0.000 0.294 871 T C -0.026 174.899 174.700 0.376 0.000 1.119 871 T CA -0.818 61.453 62.100 0.285 0.000 1.007 871 T CB 0.855 69.883 68.868 0.266 0.000 1.225 871 T HN 0.135 nan 8.240 nan 0.000 0.515 872 W N 0.616 122.038 121.300 0.204 0.000 2.342 872 W HA -0.102 4.556 4.660 -0.003 0.000 0.297 872 W C 1.876 178.469 176.519 0.125 0.000 1.213 872 W CA 1.025 58.459 57.345 0.149 0.000 1.251 872 W CB -1.120 28.417 29.460 0.128 0.000 1.136 872 W HN 0.909 nan 8.180 nan 0.000 0.526 873 Y N 1.612 122.020 120.300 0.180 0.000 2.165 873 Y HA -0.250 4.298 4.550 -0.003 0.000 0.286 873 Y C 2.089 177.994 175.900 0.009 0.000 1.155 873 Y CA 2.611 60.709 58.100 -0.004 0.000 1.164 873 Y CB -0.615 37.847 38.460 0.003 0.000 0.978 873 Y HN -0.151 nan 8.280 nan 0.000 0.513 874 D N 0.360 120.896 120.400 0.226 0.000 2.312 874 D HA 0.003 4.641 4.640 -0.003 0.000 0.211 874 D C 0.981 177.277 176.300 -0.006 0.000 0.964 874 D CA 0.973 55.027 54.000 0.089 0.000 0.877 874 D CB -0.232 40.671 40.800 0.172 0.000 0.924 874 D HN 0.370 nan 8.370 nan 0.000 0.515 875 A N 1.806 124.672 122.820 0.076 0.000 3.029 875 A HA 0.111 4.429 4.320 -0.003 0.000 0.251 875 A C 0.672 178.218 177.584 -0.063 0.000 1.749 875 A CA -0.123 51.959 52.037 0.075 0.000 1.386 875 A CB -0.788 18.341 19.000 0.214 0.000 1.043 875 A HN 0.185 nan 8.150 nan 0.000 0.638 876 K N 0.000 120.243 120.400 -0.262 0.000 2.780 876 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 876 K CA 0.000 55.947 56.287 -0.567 0.000 0.838 876 K CB 0.000 32.206 32.500 -0.490 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543