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 1nke_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 52.033 52.037 -0.006 0.000 0.836 297 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 298 K N 1.805 122.209 120.400 0.007 0.000 2.542 298 K HA 0.424 4.743 4.320 -0.002 0.000 0.276 298 K C 0.248 176.872 176.600 0.040 0.000 0.963 298 K CA 1.266 57.569 56.287 0.025 0.000 0.975 298 K CB 0.136 32.643 32.500 0.012 0.000 0.901 298 K HN 1.555 nan 8.250 nan 0.000 0.506 299 M N 1.922 121.575 119.600 0.088 0.000 2.209 299 M HA 0.544 5.022 4.480 -0.002 0.000 0.355 299 M C 0.244 176.640 176.300 0.161 0.000 1.171 299 M CA -0.461 54.908 55.300 0.114 0.000 1.069 299 M CB 1.517 34.196 32.600 0.131 0.000 1.622 299 M HN 0.819 nan 8.290 nan 0.000 0.459 300 A N 4.904 127.772 122.820 0.080 0.000 2.388 300 A HA 0.694 5.012 4.320 -0.002 0.000 0.257 300 A C -0.886 176.763 177.584 0.107 0.000 1.095 300 A CA -0.240 51.798 52.037 0.001 0.000 0.791 300 A CB -0.095 18.878 19.000 -0.045 0.000 1.029 300 A HN 0.939 nan 8.150 nan 0.000 0.489 301 F N -1.479 118.411 119.950 -0.099 0.000 2.799 301 F HA 0.567 5.091 4.527 -0.005 0.000 0.316 301 F C -0.742 174.995 175.800 -0.105 0.000 1.155 301 F CA -0.773 57.142 58.000 -0.142 0.000 0.916 301 F CB 0.756 39.699 39.000 -0.094 0.000 1.294 301 F HN 0.327 nan 8.300 nan 0.000 0.447 302 T N 3.216 117.823 114.554 0.089 0.000 2.744 302 T HA 0.416 4.765 4.350 -0.002 0.000 0.291 302 T C -0.512 174.400 174.700 0.354 0.000 0.957 302 T CA -0.344 61.810 62.100 0.092 0.000 1.002 302 T CB 1.036 69.965 68.868 0.101 0.000 0.919 302 T HN 0.772 nan 8.240 nan 0.000 0.468 303 L N 4.133 125.506 121.223 0.250 0.000 2.358 303 L HA 0.559 4.898 4.340 -0.002 0.000 0.274 303 L C 0.526 177.542 176.870 0.243 0.000 1.136 303 L CA -0.591 54.485 54.840 0.393 0.000 0.970 303 L CB -0.353 41.881 42.059 0.291 0.000 1.314 303 L HN 0.712 nan 8.230 nan 0.000 0.427 304 A N 2.894 125.852 122.820 0.229 0.000 2.371 304 A HA 0.208 4.527 4.320 -0.002 0.000 0.257 304 A C 0.455 178.072 177.584 0.055 0.000 1.089 304 A CA -0.401 51.706 52.037 0.116 0.000 0.794 304 A CB 0.294 19.347 19.000 0.088 0.000 1.029 304 A HN 0.752 nan 8.150 nan 0.000 0.488 305 D N 0.578 120.992 120.400 0.025 0.000 2.389 305 D HA 0.114 4.753 4.640 -0.002 0.000 0.206 305 D C 0.325 176.604 176.300 -0.035 0.000 1.055 305 D CA 0.765 54.766 54.000 0.002 0.000 0.856 305 D CB 0.418 41.224 40.800 0.010 0.000 0.957 305 D HN 0.579 nan 8.370 nan 0.000 0.509 306 R N -0.140 120.331 120.500 -0.048 0.000 2.774 306 R HA 0.512 4.851 4.340 -0.002 0.000 0.272 306 R C -1.041 175.193 176.300 -0.109 0.000 1.000 306 R CA -0.817 55.239 56.100 -0.073 0.000 0.906 306 R CB 2.394 32.664 30.300 -0.050 0.000 1.227 306 R HN -0.247 nan 8.270 nan 0.000 0.468 307 V N 1.699 121.534 119.914 -0.132 0.000 2.498 307 V HA 0.301 4.420 4.120 -0.002 0.000 0.279 307 V C 0.487 176.494 176.094 -0.144 0.000 1.048 307 V CA -0.184 62.016 62.300 -0.168 0.000 0.967 307 V CB 1.154 32.893 31.823 -0.139 0.000 0.988 307 V HN 0.956 nan 8.190 nan 0.000 0.473 308 T N 0.317 114.750 114.554 -0.203 0.000 2.942 308 T HA 0.435 4.783 4.350 -0.002 0.000 0.289 308 T C 0.729 175.292 174.700 -0.227 0.000 1.044 308 T CA -0.527 61.463 62.100 -0.183 0.000 1.023 308 T CB 1.991 70.758 68.868 -0.168 0.000 1.123 308 T HN 0.526 nan 8.240 nan 0.000 0.512 309 E N 0.469 120.564 120.200 -0.175 0.000 2.160 309 E HA -0.189 4.160 4.350 -0.002 0.000 0.195 309 E C 1.830 178.290 176.600 -0.233 0.000 0.991 309 E CA 1.675 57.973 56.400 -0.171 0.000 0.810 309 E CB -0.262 29.368 29.700 -0.118 0.000 0.742 309 E HN 0.815 nan 8.360 nan 0.000 0.466 310 E N -0.715 119.314 120.200 -0.286 0.000 2.160 310 E HA -0.178 4.171 4.350 -0.002 0.000 0.195 310 E C 1.614 178.000 176.600 -0.357 0.000 0.991 310 E CA 1.310 57.503 56.400 -0.345 0.000 0.810 310 E CB -0.059 29.480 29.700 -0.269 0.000 0.742 310 E HN 0.431 nan 8.360 nan 0.000 0.466 311 M N -0.028 119.211 119.600 -0.601 0.000 2.595 311 M HA 0.014 4.492 4.480 -0.002 0.000 0.248 311 M C 0.711 176.584 176.300 -0.713 0.000 1.119 311 M CA 0.571 55.401 55.300 -0.783 0.000 1.079 311 M CB 0.408 32.506 32.600 -0.836 0.000 1.472 311 M HN 0.004 nan 8.290 nan 0.000 0.501 312 L N 0.282 121.165 121.223 -0.567 0.000 3.108 312 L HA 0.473 4.811 4.340 -0.002 0.000 0.251 312 L C 0.657 177.439 176.870 -0.146 0.000 1.315 312 L CA -0.825 53.562 54.840 -0.755 0.000 1.048 312 L CB -0.485 41.273 42.059 -0.502 0.000 1.432 312 L HN 0.038 nan 8.230 nan 0.000 0.543 313 A N 0.375 123.208 122.820 0.022 0.000 2.386 313 A HA 0.141 4.460 4.320 -0.002 0.000 0.246 313 A C 0.810 178.610 177.584 0.360 0.000 1.089 313 A CA 0.009 52.173 52.037 0.211 0.000 0.790 313 A CB 0.219 19.333 19.000 0.190 0.000 1.042 313 A HN 0.564 nan 8.150 nan 0.000 0.497 314 D N -1.152 119.405 120.400 0.261 0.000 2.324 314 D HA 0.224 4.863 4.640 -0.002 0.000 0.235 314 D C 0.039 176.460 176.300 0.201 0.000 1.095 314 D CA 0.359 54.492 54.000 0.223 0.000 0.871 314 D CB -0.017 40.864 40.800 0.134 0.000 0.906 314 D HN 0.301 nan 8.370 nan 0.000 0.522 315 K N 0.161 120.720 120.400 0.265 0.000 2.588 315 K HA 0.703 5.022 4.320 -0.002 0.000 0.250 315 K C -1.915 174.932 176.600 0.412 0.000 0.972 315 K CA -0.510 55.953 56.287 0.294 0.000 0.821 315 K CB 1.790 34.448 32.500 0.263 0.000 1.249 315 K HN 0.042 nan 8.250 nan 0.000 0.442 316 A N 2.076 125.167 122.820 0.451 0.000 2.597 316 A HA 0.801 5.119 4.320 -0.002 0.000 0.292 316 A C -1.572 176.265 177.584 0.421 0.000 1.057 316 A CA -0.446 51.834 52.037 0.406 0.000 0.674 316 A CB 1.197 20.406 19.000 0.349 0.000 1.278 316 A HN 0.867 nan 8.150 nan 0.000 0.416 317 A N 0.464 123.499 122.820 0.358 0.000 2.289 317 A HA 0.668 4.986 4.320 -0.002 0.000 0.298 317 A C -0.657 177.068 177.584 0.235 0.000 1.208 317 A CA -0.228 52.009 52.037 0.333 0.000 0.845 317 A CB 0.320 19.530 19.000 0.351 0.000 1.125 317 A HN 1.940 nan 8.150 nan 0.000 0.517 318 L N 3.449 124.808 121.223 0.228 0.000 2.365 318 L HA 0.746 5.084 4.340 -0.002 0.000 0.273 318 L C -1.157 175.809 176.870 0.160 0.000 1.000 318 L CA -0.339 54.635 54.840 0.224 0.000 0.819 318 L CB 2.233 44.456 42.059 0.273 0.000 1.284 318 L HN 0.386 nan 8.230 nan 0.000 0.418 319 V N 5.566 125.564 119.914 0.141 0.000 2.444 319 V HA 0.508 4.626 4.120 -0.002 0.000 0.294 319 V C -0.747 175.409 176.094 0.103 0.000 1.022 319 V CA -0.550 61.812 62.300 0.103 0.000 0.850 319 V CB 1.923 33.786 31.823 0.066 0.000 0.992 319 V HN 0.519 nan 8.190 nan 0.000 0.426 320 V N 4.160 124.128 119.914 0.090 0.000 2.289 320 V HA 0.327 4.446 4.120 -0.002 0.000 0.272 320 V C 0.016 176.145 176.094 0.059 0.000 1.026 320 V CA -0.648 61.699 62.300 0.078 0.000 0.807 320 V CB 1.332 33.200 31.823 0.075 0.000 1.044 320 V HN 0.928 nan 8.190 nan 0.000 0.443 321 E N 3.431 123.672 120.200 0.069 0.000 2.299 321 E HA 0.327 4.676 4.350 -0.002 0.000 0.272 321 E C -0.763 175.859 176.600 0.036 0.000 1.043 321 E CA 0.179 56.623 56.400 0.072 0.000 0.895 321 E CB 1.089 30.864 29.700 0.124 0.000 1.011 321 E HN 0.414 nan 8.360 nan 0.000 0.432 322 V N 6.502 126.427 119.914 0.018 0.000 2.349 322 V HA 0.098 4.217 4.120 -0.002 0.000 0.284 322 V C 0.816 176.887 176.094 -0.039 0.000 1.014 322 V CA -0.541 61.758 62.300 -0.001 0.000 0.826 322 V CB 1.432 33.271 31.823 0.026 0.000 1.009 322 V HN 0.691 nan 8.190 nan 0.000 0.431 323 V N 2.381 122.219 119.914 -0.127 0.000 2.488 323 V HA 0.016 4.135 4.120 -0.002 0.000 0.246 323 V C 1.272 177.282 176.094 -0.140 0.000 1.046 323 V CA 0.935 63.083 62.300 -0.254 0.000 1.053 323 V CB -0.214 31.327 31.823 -0.470 0.000 0.679 323 V HN 0.796 nan 8.190 nan 0.000 0.458 324 E N 0.862 121.012 120.200 -0.082 0.000 2.465 324 E HA -0.046 4.303 4.350 -0.002 0.000 0.260 324 E C 1.164 177.753 176.600 -0.018 0.000 0.980 324 E CA 0.216 56.585 56.400 -0.052 0.000 0.927 324 E CB 0.713 30.384 29.700 -0.049 0.000 0.934 324 E HN 0.523 nan 8.360 nan 0.000 0.459 325 E N 1.851 122.039 120.200 -0.021 0.000 2.085 325 E HA -0.175 4.174 4.350 -0.002 0.000 0.194 325 E C 0.696 177.266 176.600 -0.050 0.000 0.994 325 E CA 0.718 57.115 56.400 -0.004 0.000 0.801 325 E CB 0.109 29.803 29.700 -0.009 0.000 0.743 325 E HN 0.272 nan 8.360 nan 0.000 0.453 326 N N 0.492 119.132 118.700 -0.100 0.000 2.437 326 N HA -0.033 4.705 4.740 -0.002 0.000 0.243 326 N C -0.107 175.281 175.510 -0.203 0.000 1.041 326 N CA -0.085 52.835 53.050 -0.216 0.000 0.940 326 N CB 0.465 38.872 38.487 -0.133 0.000 1.133 326 N HN 0.100 nan 8.380 nan 0.000 0.506 327 Y N 1.288 121.511 120.300 -0.128 0.000 2.529 327 Y HA 0.237 4.785 4.550 -0.002 0.000 0.290 327 Y C 0.367 176.129 175.900 -0.230 0.000 1.177 327 Y CA -0.378 57.626 58.100 -0.161 0.000 1.305 327 Y CB -0.816 37.565 38.460 -0.131 0.000 1.047 327 Y HN 0.373 nan 8.280 nan 0.000 0.522 328 H N 2.808 121.804 119.070 -0.123 0.000 2.975 328 H HA 0.011 4.566 4.556 -0.002 0.000 0.303 328 H C 0.306 175.096 175.328 -0.896 0.000 1.023 328 H CA 0.914 56.733 56.048 -0.382 0.000 1.473 328 H CB 0.420 30.021 29.762 -0.268 0.000 1.498 328 H HN 0.341 nan 8.280 nan 0.000 0.549 329 D N 0.932 120.501 120.400 -1.384 0.000 2.811 329 D HA -0.177 4.462 4.640 -0.002 0.000 0.231 329 D C -0.256 175.829 176.300 -0.357 0.000 1.157 329 D CA 0.880 54.337 54.000 -0.904 0.000 0.716 329 D CB -0.729 39.386 40.800 -1.141 0.000 1.077 329 D HN 0.749 nan 8.370 nan 0.000 0.428 330 A N -0.077 122.616 122.820 -0.212 0.000 2.282 330 A HA 0.719 5.038 4.320 -0.002 0.000 0.319 330 A C -2.204 175.355 177.584 -0.041 0.000 1.121 330 A CA -1.110 50.866 52.037 -0.101 0.000 0.836 330 A CB 0.798 19.764 19.000 -0.057 0.000 1.146 330 A HN 0.081 nan 8.150 nan 0.000 0.494 331 P HA 0.310 nan 4.420 nan 0.000 0.271 331 P C -0.944 176.357 177.300 0.001 0.000 1.216 331 P CA 0.208 63.302 63.100 -0.011 0.000 0.776 331 P CB 0.406 32.097 31.700 -0.015 0.000 0.881 332 I N 2.873 123.451 120.570 0.013 0.000 2.307 332 I HA 0.054 4.223 4.170 -0.002 0.000 0.289 332 I C 1.441 177.571 176.117 0.022 0.000 1.021 332 I CA -0.479 60.833 61.300 0.019 0.000 1.224 332 I CB 1.483 39.498 38.000 0.026 0.000 1.376 332 I HN 0.205 nan 8.210 nan 0.000 0.470 333 V N 3.035 122.970 119.914 0.034 0.000 3.406 333 V HA 0.500 4.618 4.120 -0.002 0.000 0.263 333 V C 0.713 176.876 176.094 0.115 0.000 1.172 333 V CA 0.633 62.972 62.300 0.065 0.000 1.140 333 V CB -0.412 31.450 31.823 0.065 0.000 0.784 333 V HN 0.812 nan 8.190 nan 0.000 0.467 334 G N -0.613 108.240 108.800 0.089 0.000 2.489 334 G HA2 0.610 4.568 3.960 -0.002 0.000 0.291 334 G HA3 0.610 4.568 3.960 -0.002 0.000 0.291 334 G C -1.773 173.104 174.900 -0.037 0.000 1.487 334 G CA -0.700 44.441 45.100 0.068 0.000 0.795 334 G HN 0.190 nan 8.290 nan 0.000 0.513 335 I N 0.188 120.595 120.570 -0.273 0.000 2.686 335 I HA 0.719 4.888 4.170 -0.002 0.000 0.295 335 I C 0.008 176.007 176.117 -0.197 0.000 1.114 335 I CA -1.019 60.175 61.300 -0.178 0.000 1.038 335 I CB 2.377 40.249 38.000 -0.214 0.000 1.238 335 I HN 0.861 nan 8.210 nan 0.000 0.420 336 A N 5.185 128.004 122.820 -0.003 0.000 2.449 336 A HA 0.901 5.220 4.320 -0.002 0.000 0.302 336 A C -1.482 176.157 177.584 0.092 0.000 1.048 336 A CA -0.541 51.524 52.037 0.047 0.000 0.708 336 A CB 1.960 20.997 19.000 0.062 0.000 1.274 336 A HN 0.384 nan 8.150 nan 0.000 0.410 337 V N 1.779 121.766 119.914 0.121 0.000 2.638 337 V HA 0.592 4.710 4.120 -0.002 0.000 0.306 337 V C -0.832 175.342 176.094 0.134 0.000 1.052 337 V CA -0.517 61.867 62.300 0.140 0.000 0.885 337 V CB 1.869 33.744 31.823 0.086 0.000 0.999 337 V HN 0.745 nan 8.190 nan 0.000 0.424 338 V N 5.251 125.152 119.914 -0.021 0.000 2.483 338 V HA 0.657 4.776 4.120 -0.002 0.000 0.297 338 V C -0.453 175.256 176.094 -0.642 0.000 1.027 338 V CA -0.468 61.667 62.300 -0.275 0.000 0.855 338 V CB 1.846 33.467 31.823 -0.338 0.000 0.995 338 V HN 1.134 nan 8.190 nan 0.000 0.424 339 N N 2.336 120.659 118.700 -0.629 0.000 3.387 339 N HA 0.269 5.007 4.740 -0.002 0.000 0.322 339 N C 0.745 175.933 175.510 -0.537 0.000 1.588 339 N CA -0.357 52.232 53.050 -0.768 0.000 0.778 339 N CB 0.569 38.941 38.487 -0.192 0.000 1.883 339 N HN 0.526 nan 8.380 nan 0.000 0.628 340 E N -1.374 118.674 120.200 -0.253 0.000 2.265 340 E HA -0.219 4.129 4.350 -0.002 0.000 0.196 340 E C 0.250 176.732 176.600 -0.197 0.000 0.996 340 E CA 1.158 57.474 56.400 -0.140 0.000 0.832 340 E CB -0.442 29.166 29.700 -0.152 0.000 0.756 340 E HN 0.539 nan 8.360 nan 0.000 0.491 341 H N 0.321 119.431 119.070 0.065 0.000 2.562 341 H HA 0.345 4.899 4.556 -0.003 0.000 0.267 341 H C 1.152 176.519 175.328 0.064 0.000 0.959 341 H CA 0.925 57.040 56.048 0.111 0.000 1.204 341 H CB 1.140 31.012 29.762 0.182 0.000 1.430 341 H HN 0.374 nan 8.280 nan 0.000 0.545 342 G N 0.304 109.121 108.800 0.029 0.000 2.339 342 G HA2 0.120 4.079 3.960 -0.002 0.000 0.275 342 G HA3 0.120 4.079 3.960 -0.002 0.000 0.275 342 G C -1.428 173.173 174.900 -0.500 0.000 1.323 342 G CA -1.150 43.779 45.100 -0.285 0.000 0.927 342 G HN 0.114 nan 8.290 nan 0.000 0.486 343 R N -0.540 119.526 120.500 -0.723 0.000 2.534 343 R HA 0.704 5.043 4.340 -0.002 0.000 0.301 343 R C -1.495 174.406 176.300 -0.664 0.000 0.961 343 R CA -0.479 55.339 56.100 -0.470 0.000 0.871 343 R CB 1.595 31.797 30.300 -0.163 0.000 1.170 343 R HN 0.314 nan 8.270 nan 0.000 0.446 344 F N 1.748 121.724 119.950 0.043 0.000 2.576 344 F HA 0.482 5.011 4.527 0.003 0.000 0.313 344 F C -0.589 175.260 175.800 0.081 0.000 1.078 344 F CA -1.148 56.906 58.000 0.091 0.000 0.921 344 F CB 1.481 40.480 39.000 -0.002 0.000 1.232 344 F HN 0.334 nan 8.300 nan 0.000 0.459 345 F N 3.421 123.485 119.950 0.190 0.000 2.482 345 F HA 0.823 5.349 4.527 -0.002 0.000 0.331 345 F C -1.737 174.094 175.800 0.053 0.000 1.115 345 F CA -1.028 56.998 58.000 0.045 0.000 0.955 345 F CB 1.097 40.101 39.000 0.006 0.000 1.136 345 F HN 0.334 nan 8.300 nan 0.000 0.452 346 L N 6.177 126.846 121.223 -0.923 0.000 2.408 346 L HA 0.556 4.895 4.340 -0.002 0.000 0.268 346 L C -0.410 175.926 176.870 -0.890 0.000 0.986 346 L CA -0.999 53.423 54.840 -0.698 0.000 0.820 346 L CB 2.269 43.995 42.059 -0.556 0.000 1.303 346 L HN 0.567 nan 8.230 nan 0.000 0.411 347 R N 3.354 123.564 120.500 -0.482 0.000 2.438 347 R HA 0.150 4.488 4.340 -0.002 0.000 0.287 347 R C -1.495 174.655 176.300 -0.251 0.000 1.077 347 R CA -1.435 54.500 56.100 -0.276 0.000 1.034 347 R CB 0.786 31.046 30.300 -0.066 0.000 0.993 347 R HN 0.389 nan 8.270 nan 0.000 0.459 348 P HA -0.258 nan 4.420 nan 0.000 0.215 348 P C 0.831 178.077 177.300 -0.090 0.000 1.157 348 P CA 1.517 64.543 63.100 -0.124 0.000 0.868 348 P CB 0.105 31.773 31.700 -0.053 0.000 0.788 349 E N -0.181 119.985 120.200 -0.057 0.000 2.209 349 E HA -0.141 4.207 4.350 -0.002 0.000 0.196 349 E C 1.472 178.039 176.600 -0.055 0.000 0.993 349 E CA 1.554 57.933 56.400 -0.036 0.000 0.819 349 E CB -1.567 28.123 29.700 -0.017 0.000 0.745 349 E HN 0.208 nan 8.360 nan 0.000 0.477 350 T N 1.248 115.744 114.554 -0.096 0.000 2.781 350 T HA 0.173 4.522 4.350 -0.002 0.000 0.252 350 T C 2.070 176.672 174.700 -0.163 0.000 1.039 350 T CA 1.488 63.519 62.100 -0.116 0.000 1.147 350 T CB -0.357 68.429 68.868 -0.135 0.000 0.865 350 T HN 0.396 nan 8.240 nan 0.000 0.423 351 A N 1.590 124.234 122.820 -0.293 0.000 1.883 351 A HA 0.020 4.339 4.320 -0.002 0.000 0.217 351 A C 2.203 179.695 177.584 -0.152 0.000 1.186 351 A CA 1.269 53.011 52.037 -0.492 0.000 0.624 351 A CB -1.024 17.357 19.000 -1.032 0.000 0.822 351 A HN 0.481 nan 8.150 nan 0.000 0.444 352 L N -1.135 120.058 121.223 -0.049 0.000 2.549 352 L HA -0.078 4.260 4.340 -0.002 0.000 0.229 352 L C 2.409 179.321 176.870 0.070 0.000 1.158 352 L CA 0.675 55.568 54.840 0.088 0.000 0.842 352 L CB -0.351 41.745 42.059 0.061 0.000 0.952 352 L HN 0.473 nan 8.230 nan 0.000 0.452 353 A N -1.392 121.444 122.820 0.027 0.000 2.343 353 A HA 0.016 4.335 4.320 -0.002 0.000 0.223 353 A C 0.413 178.016 177.584 0.033 0.000 1.214 353 A CA -0.216 51.836 52.037 0.025 0.000 0.900 353 A CB -0.090 18.912 19.000 0.004 0.000 0.942 353 A HN 0.253 nan 8.150 nan 0.000 0.507 354 D N 0.078 120.506 120.400 0.046 0.000 2.325 354 D HA 0.354 4.992 4.640 -0.002 0.000 0.251 354 D C -1.699 174.663 176.300 0.104 0.000 1.196 354 D CA -1.756 52.279 54.000 0.059 0.000 0.866 354 D CB 1.368 42.195 40.800 0.045 0.000 1.101 354 D HN -0.025 nan 8.370 nan 0.000 0.476 355 P HA -0.187 nan 4.420 nan 0.000 0.216 355 P C 0.938 178.284 177.300 0.077 0.000 1.153 355 P CA 1.185 64.322 63.100 0.062 0.000 0.858 355 P CB 0.266 31.988 31.700 0.037 0.000 0.789 356 Q N -1.900 117.948 119.800 0.079 0.000 2.079 356 Q HA -0.117 4.222 4.340 -0.002 0.000 0.200 356 Q C 1.956 178.039 176.000 0.137 0.000 0.974 356 Q CA 1.341 57.193 55.803 0.082 0.000 0.840 356 Q CB -1.363 27.403 28.738 0.048 0.000 0.898 356 Q HN 0.228 nan 8.270 nan 0.000 0.430 357 F N 0.018 119.979 119.950 0.019 0.000 2.102 357 F HA -0.177 4.348 4.527 -0.003 0.000 0.298 357 F C 1.865 177.760 175.800 0.157 0.000 1.105 357 F CA 0.913 58.950 58.000 0.062 0.000 1.239 357 F CB -0.204 38.791 39.000 -0.010 0.000 0.991 357 F HN -0.136 nan 8.300 nan 0.000 0.474 358 V N 0.334 120.349 119.914 0.169 0.000 2.407 358 V HA -0.316 3.803 4.120 -0.002 0.000 0.248 358 V C 2.687 178.775 176.094 -0.009 0.000 1.055 358 V CA 1.759 64.097 62.300 0.063 0.000 1.049 358 V CB -1.566 30.308 31.823 0.084 0.000 0.662 358 V HN 0.465 nan 8.190 nan 0.000 0.455 359 A N -1.017 121.819 122.820 0.027 0.000 1.930 359 A HA -0.266 4.053 4.320 -0.002 0.000 0.217 359 A C 1.948 179.532 177.584 0.001 0.000 1.175 359 A CA 1.791 53.834 52.037 0.010 0.000 0.627 359 A CB -0.844 18.177 19.000 0.034 0.000 0.815 359 A HN 0.744 nan 8.150 nan 0.000 0.443 360 W N 0.713 121.900 121.300 -0.189 0.000 2.358 360 W HA -0.137 4.522 4.660 -0.002 0.000 0.303 360 W C 1.693 178.049 176.519 -0.271 0.000 1.208 360 W CA 1.796 59.006 57.345 -0.225 0.000 1.274 360 W CB -0.332 28.957 29.460 -0.285 0.000 1.138 360 W HN 0.242 nan 8.180 nan 0.000 0.515 361 L N 0.309 121.343 121.223 -0.314 0.000 2.042 361 L HA -0.129 4.210 4.340 -0.002 0.000 0.210 361 L C 2.486 179.131 176.870 -0.375 0.000 1.076 361 L CA 1.603 56.165 54.840 -0.463 0.000 0.749 361 L CB -1.397 40.489 42.059 -0.289 0.000 0.893 361 L HN 0.251 nan 8.230 nan 0.000 0.432 362 G N -1.815 106.839 108.800 -0.243 0.000 2.985 362 G HA2 -0.115 3.843 3.960 -0.002 0.000 0.209 362 G HA3 -0.115 3.843 3.960 -0.002 0.000 0.209 362 G C 0.158 174.947 174.900 -0.185 0.000 1.165 362 G CA -0.192 44.795 45.100 -0.188 0.000 0.776 362 G HN 0.155 nan 8.290 nan 0.000 0.541 363 D N 0.649 120.908 120.400 -0.235 0.000 2.339 363 D HA 0.096 4.735 4.640 -0.002 0.000 0.241 363 D C 1.125 177.293 176.300 -0.221 0.000 1.183 363 D CA -0.407 53.479 54.000 -0.190 0.000 0.859 363 D CB 1.215 41.917 40.800 -0.164 0.000 1.067 363 D HN 0.301 nan 8.370 nan 0.000 0.484 364 E N 1.769 121.877 120.200 -0.154 0.000 2.338 364 E HA -0.150 4.198 4.350 -0.002 0.000 0.197 364 E C 1.293 177.822 176.600 -0.118 0.000 1.007 364 E CA 1.084 57.401 56.400 -0.138 0.000 0.849 364 E CB 0.287 29.927 29.700 -0.099 0.000 0.774 364 E HN 0.548 nan 8.360 nan 0.000 0.506 365 T N -1.787 112.706 114.554 -0.102 0.000 3.100 365 T HA 0.084 4.432 4.350 -0.002 0.000 0.253 365 T C 0.574 175.232 174.700 -0.070 0.000 1.118 365 T CA -0.184 61.876 62.100 -0.066 0.000 1.058 365 T CB 0.181 69.027 68.868 -0.036 0.000 0.953 365 T HN -0.162 nan 8.240 nan 0.000 0.515 366 K N 2.816 123.127 120.400 -0.148 0.000 2.268 366 K HA 0.352 4.670 4.320 -0.002 0.000 0.276 366 K C -0.352 176.112 176.600 -0.227 0.000 1.080 366 K CA -0.402 55.779 56.287 -0.177 0.000 0.910 366 K CB 1.110 33.357 32.500 -0.421 0.000 1.163 366 K HN 0.181 nan 8.250 nan 0.000 0.465 367 K N 2.627 122.981 120.400 -0.076 0.000 2.276 367 K HA 0.241 4.560 4.320 -0.002 0.000 0.283 367 K C -0.070 176.527 176.600 -0.005 0.000 1.044 367 K CA -0.505 55.753 56.287 -0.048 0.000 0.944 367 K CB 0.714 33.224 32.500 0.016 0.000 1.012 367 K HN 0.262 nan 8.250 nan 0.000 0.472 368 K N 0.603 120.982 120.400 -0.035 0.000 2.316 368 K HA 0.385 4.704 4.320 -0.002 0.000 0.251 368 K C -0.706 175.961 176.600 0.111 0.000 0.934 368 K CA -0.441 55.869 56.287 0.038 0.000 0.802 368 K CB 1.951 34.403 32.500 -0.080 0.000 1.171 368 K HN 0.309 nan 8.250 nan 0.000 0.426 369 S N 2.737 118.559 115.700 0.202 0.000 2.449 369 S HA 0.637 5.106 4.470 -0.002 0.000 0.310 369 S C -0.667 174.066 174.600 0.222 0.000 1.096 369 S CA -0.789 57.575 58.200 0.274 0.000 1.095 369 S CB 0.449 63.850 63.200 0.334 0.000 1.007 369 S HN 0.462 nan 8.310 nan 0.000 0.474 370 M N 1.925 121.613 119.600 0.148 0.000 2.948 370 M HA 0.571 5.050 4.480 -0.002 0.000 0.278 370 M C -1.639 174.703 176.300 0.069 0.000 1.293 370 M CA -0.724 54.639 55.300 0.105 0.000 0.777 370 M CB 1.739 34.365 32.600 0.044 0.000 1.713 370 M HN 0.608 nan 8.290 nan 0.000 0.444 371 F N 1.695 121.607 119.950 -0.063 0.000 2.496 371 F HA 0.364 4.890 4.527 -0.001 0.000 0.341 371 F C -0.437 175.314 175.800 -0.082 0.000 1.134 371 F CA -0.139 57.804 58.000 -0.095 0.000 0.968 371 F CB 0.800 39.761 39.000 -0.064 0.000 1.205 371 F HN 0.703 nan 8.300 nan 0.000 0.436 372 D N 3.455 123.586 120.400 -0.447 0.000 2.872 372 D HA -0.210 4.429 4.640 -0.002 0.000 0.248 372 D C 0.960 177.160 176.300 -0.167 0.000 1.104 372 D CA 0.990 54.811 54.000 -0.298 0.000 0.784 372 D CB -0.729 39.983 40.800 -0.146 0.000 1.036 372 D HN 0.622 nan 8.370 nan 0.000 0.426 373 S N 0.557 116.153 115.700 -0.174 0.000 2.419 373 S HA -0.219 4.249 4.470 -0.002 0.000 0.233 373 S C 1.854 176.354 174.600 -0.167 0.000 1.016 373 S CA 1.374 59.491 58.200 -0.138 0.000 0.974 373 S CB 0.044 63.169 63.200 -0.126 0.000 0.786 373 S HN 0.545 nan 8.310 nan 0.000 0.492 374 K N 1.843 122.132 120.400 -0.185 0.000 2.057 374 K HA -0.104 4.215 4.320 -0.002 0.000 0.207 374 K C 2.527 178.884 176.600 -0.405 0.000 1.049 374 K CA 1.231 57.397 56.287 -0.201 0.000 0.931 374 K CB -0.249 32.181 32.500 -0.116 0.000 0.714 374 K HN 0.461 nan 8.250 nan 0.000 0.440 375 R N 0.223 120.407 120.500 -0.527 0.000 2.083 375 R HA -0.163 4.175 4.340 -0.002 0.000 0.237 375 R C 2.100 178.069 176.300 -0.551 0.000 1.137 375 R CA 1.682 57.218 56.100 -0.941 0.000 0.951 375 R CB -0.446 29.576 30.300 -0.463 0.000 0.851 375 R HN 0.277 nan 8.270 nan 0.000 0.434 376 A N 0.727 123.383 122.820 -0.273 0.000 1.898 376 A HA -0.041 4.278 4.320 -0.002 0.000 0.216 376 A C 2.421 179.920 177.584 -0.141 0.000 1.181 376 A CA 1.575 53.524 52.037 -0.146 0.000 0.620 376 A CB -0.844 18.112 19.000 -0.073 0.000 0.819 376 A HN 0.580 nan 8.150 nan 0.000 0.442 377 A N -0.547 122.173 122.820 -0.167 0.000 1.908 377 A HA -0.031 4.288 4.320 -0.002 0.000 0.218 377 A C 2.243 179.739 177.584 -0.147 0.000 1.181 377 A CA 1.921 53.869 52.037 -0.148 0.000 0.627 377 A CB -0.940 17.974 19.000 -0.143 0.000 0.818 377 A HN 0.393 nan 8.150 nan 0.000 0.445 378 V N -0.266 119.558 119.914 -0.150 0.000 2.307 378 V HA -0.204 3.914 4.120 -0.002 0.000 0.245 378 V C 3.058 179.254 176.094 0.170 0.000 1.045 378 V CA 1.823 64.127 62.300 0.007 0.000 1.024 378 V CB -1.219 30.680 31.823 0.126 0.000 0.651 378 V HN 0.616 nan 8.190 nan 0.000 0.449 379 A N -0.260 122.606 122.820 0.076 0.000 1.940 379 A HA -0.177 4.142 4.320 -0.002 0.000 0.219 379 A C 2.209 179.873 177.584 0.133 0.000 1.176 379 A CA 1.840 53.967 52.037 0.150 0.000 0.631 379 A CB -0.532 18.492 19.000 0.041 0.000 0.814 379 A HN 0.516 nan 8.150 nan 0.000 0.446 380 L N -1.070 120.168 121.223 0.026 0.000 2.109 380 L HA -0.146 4.193 4.340 -0.002 0.000 0.207 380 L C 2.535 179.363 176.870 -0.070 0.000 1.086 380 L CA 1.373 56.209 54.840 -0.006 0.000 0.760 380 L CB -0.364 41.670 42.059 -0.041 0.000 0.910 380 L HN 0.341 nan 8.230 nan 0.000 0.437 381 K N -0.598 119.674 120.400 -0.214 0.000 2.103 381 K HA -0.209 4.110 4.320 -0.002 0.000 0.207 381 K C 1.881 178.217 176.600 -0.440 0.000 1.048 381 K CA 1.741 57.673 56.287 -0.591 0.000 0.930 381 K CB -0.243 31.499 32.500 -1.264 0.000 0.716 381 K HN 0.270 nan 8.250 nan 0.000 0.444 382 W N 1.276 122.506 121.300 -0.115 0.000 2.525 382 W HA -0.088 4.571 4.660 -0.003 0.000 0.259 382 W C 1.439 178.005 176.519 0.079 0.000 1.253 382 W CA 0.730 58.171 57.345 0.160 0.000 1.262 382 W CB 0.199 29.770 29.460 0.185 0.000 1.122 382 W HN -0.038 nan 8.180 nan 0.000 0.607 383 K N -0.467 120.054 120.400 0.201 0.000 2.372 383 K HA 0.250 4.569 4.320 -0.002 0.000 0.200 383 K C 1.254 177.892 176.600 0.064 0.000 1.022 383 K CA 0.528 56.892 56.287 0.128 0.000 1.125 383 K CB 0.438 32.997 32.500 0.099 0.000 0.855 383 K HN 0.034 nan 8.250 nan 0.000 0.524 384 G N 2.015 110.825 108.800 0.017 0.000 2.147 384 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.244 384 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.244 384 G C -0.047 174.830 174.900 -0.038 0.000 1.005 384 G CA -0.060 45.030 45.100 -0.017 0.000 0.713 384 G HN 0.259 nan 8.290 nan 0.000 0.515 385 I N 0.230 120.766 120.570 -0.056 0.000 2.433 385 I HA 0.385 4.554 4.170 -0.002 0.000 0.292 385 I C 0.258 176.315 176.117 -0.100 0.000 1.001 385 I CA -0.773 60.496 61.300 -0.052 0.000 1.119 385 I CB 1.909 39.905 38.000 -0.008 0.000 1.289 385 I HN 0.172 nan 8.210 nan 0.000 0.438 386 E N 5.979 126.118 120.200 -0.101 0.000 2.227 386 E HA 0.357 4.706 4.350 -0.002 0.000 0.282 386 E C -1.492 175.028 176.600 -0.134 0.000 1.015 386 E CA -0.844 55.480 56.400 -0.127 0.000 0.823 386 E CB 1.671 31.303 29.700 -0.114 0.000 1.081 386 E HN 0.369 nan 8.360 nan 0.000 0.396 387 L N 5.867 127.003 121.223 -0.145 0.000 2.287 387 L HA 0.427 4.765 4.340 -0.002 0.000 0.287 387 L C -1.467 175.301 176.870 -0.169 0.000 1.022 387 L CA -0.206 54.536 54.840 -0.164 0.000 0.814 387 L CB 0.702 42.676 42.059 -0.142 0.000 1.217 387 L HN 0.658 nan 8.230 nan 0.000 0.420 388 C N 2.291 121.468 119.300 -0.206 0.000 3.044 388 C HA 0.837 5.296 4.460 -0.002 0.000 0.315 388 C C 1.119 175.976 174.990 -0.221 0.000 1.320 388 C CA -0.077 58.830 59.018 -0.185 0.000 1.582 388 C CB 1.343 28.983 27.740 -0.166 0.000 2.039 388 C HN 1.105 nan 8.230 nan 0.000 0.466 389 G N 0.273 108.971 108.800 -0.171 0.000 2.148 389 G HA2 -0.184 3.774 3.960 -0.002 0.000 0.254 389 G HA3 -0.184 3.774 3.960 -0.002 0.000 0.254 389 G C -0.112 174.709 174.900 -0.131 0.000 0.981 389 G CA 0.284 45.284 45.100 -0.166 0.000 0.670 389 G HN 0.894 nan 8.290 nan 0.000 0.528 390 V N 2.078 121.925 119.914 -0.112 0.000 2.403 390 V HA 0.361 4.480 4.120 -0.002 0.000 0.265 390 V C 1.610 177.687 176.094 -0.029 0.000 1.034 390 V CA 1.045 63.303 62.300 -0.071 0.000 1.036 390 V CB 0.958 32.731 31.823 -0.082 0.000 1.032 390 V HN 0.817 nan 8.190 nan 0.000 0.478 391 S N 4.056 119.768 115.700 0.021 0.000 2.517 391 S HA 0.250 4.719 4.470 -0.002 0.000 0.214 391 S C -0.070 174.625 174.600 0.159 0.000 0.991 391 S CA -0.103 58.133 58.200 0.060 0.000 0.906 391 S CB 0.108 63.341 63.200 0.054 0.000 0.789 391 S HN 0.560 nan 8.310 nan 0.000 0.513 392 F N 1.640 121.572 119.950 -0.029 0.000 2.605 392 F HA 0.530 5.056 4.527 -0.002 0.000 0.320 392 F C -2.103 173.673 175.800 -0.040 0.000 1.159 392 F CA -1.005 56.978 58.000 -0.028 0.000 0.999 392 F CB 1.761 40.749 39.000 -0.021 0.000 1.258 392 F HN -0.038 nan 8.300 nan 0.000 0.464 393 D N 6.248 126.169 120.400 -0.800 0.000 2.462 393 D HA 0.156 4.794 4.640 -0.002 0.000 0.245 393 D C 0.598 176.307 176.300 -0.986 0.000 1.122 393 D CA -0.291 53.311 54.000 -0.664 0.000 0.864 393 D CB 1.739 42.300 40.800 -0.398 0.000 1.098 393 D HN 0.689 nan 8.370 nan 0.000 0.541 394 L N 5.168 125.890 121.223 -0.836 0.000 2.127 394 L HA -0.115 4.223 4.340 -0.002 0.000 0.211 394 L C 1.868 178.473 176.870 -0.441 0.000 1.089 394 L CA 1.507 55.989 54.840 -0.596 0.000 0.757 394 L CB -0.555 41.453 42.059 -0.085 0.000 0.899 394 L HN 0.530 nan 8.230 nan 0.000 0.434 395 L N -0.901 119.891 121.223 -0.719 0.000 2.017 395 L HA -0.184 4.155 4.340 -0.002 0.000 0.208 395 L C 2.257 178.937 176.870 -0.316 0.000 1.073 395 L CA 1.896 56.264 54.840 -0.786 0.000 0.745 395 L CB -0.661 40.633 42.059 -1.275 0.000 0.894 395 L HN 0.279 nan 8.230 nan 0.000 0.432 396 L N -0.568 120.470 121.223 -0.309 0.000 2.093 396 L HA -0.134 4.205 4.340 -0.002 0.000 0.208 396 L C 2.680 179.549 176.870 -0.002 0.000 1.085 396 L CA 1.011 55.790 54.840 -0.102 0.000 0.755 396 L CB -0.995 40.980 42.059 -0.139 0.000 0.904 396 L HN 0.406 nan 8.230 nan 0.000 0.435 397 A N 0.259 123.007 122.820 -0.120 0.000 1.877 397 A HA -0.148 4.171 4.320 -0.002 0.000 0.216 397 A C 2.553 180.286 177.584 0.248 0.000 1.186 397 A CA 1.708 53.782 52.037 0.063 0.000 0.620 397 A CB -0.669 18.358 19.000 0.045 0.000 0.822 397 A HN 0.380 nan 8.150 nan 0.000 0.443 398 A N -1.527 121.433 122.820 0.233 0.000 1.933 398 A HA -0.103 4.216 4.320 -0.002 0.000 0.218 398 A C 2.138 179.889 177.584 0.277 0.000 1.175 398 A CA 1.693 53.958 52.037 0.380 0.000 0.628 398 A CB -0.825 18.375 19.000 0.334 0.000 0.814 398 A HN 0.741 nan 8.150 nan 0.000 0.444 399 Y N 0.624 120.973 120.300 0.080 0.000 2.165 399 Y HA -0.169 4.379 4.550 -0.003 0.000 0.286 399 Y C 1.891 177.834 175.900 0.073 0.000 1.155 399 Y CA 1.800 59.938 58.100 0.062 0.000 1.164 399 Y CB -0.349 38.117 38.460 0.011 0.000 0.978 399 Y HN 0.219 nan 8.280 nan 0.000 0.513 400 L N -0.743 120.469 121.223 -0.018 0.000 2.109 400 L HA -0.204 4.135 4.340 -0.002 0.000 0.207 400 L C 2.441 179.280 176.870 -0.052 0.000 1.086 400 L CA 0.932 55.702 54.840 -0.117 0.000 0.760 400 L CB -0.551 41.508 42.059 0.000 0.000 0.910 400 L HN 0.271 nan 8.230 nan 0.000 0.437 401 L N -0.820 120.434 121.223 0.052 0.000 2.093 401 L HA -0.099 4.240 4.340 -0.002 0.000 0.208 401 L C 0.236 177.171 176.870 0.108 0.000 1.085 401 L CA 0.923 55.803 54.840 0.068 0.000 0.755 401 L CB -0.047 42.061 42.059 0.080 0.000 0.904 401 L HN 0.265 nan 8.230 nan 0.000 0.435 402 D N -2.407 118.048 120.400 0.091 0.000 2.349 402 D HA 0.122 4.761 4.640 -0.002 0.000 0.224 402 D C -2.159 174.197 176.300 0.094 0.000 1.323 402 D CA -1.025 53.054 54.000 0.131 0.000 0.917 402 D CB 1.058 41.924 40.800 0.110 0.000 1.524 402 D HN -0.257 nan 8.370 nan 0.000 0.505 403 P HA -0.040 nan 4.420 nan 0.000 0.219 403 P C 1.145 178.539 177.300 0.157 0.000 1.146 403 P CA 1.113 64.246 63.100 0.056 0.000 0.808 403 P CB 0.333 31.974 31.700 -0.098 0.000 0.779 404 A N -0.581 122.319 122.820 0.133 0.000 2.067 404 A HA -0.176 4.142 4.320 -0.002 0.000 0.219 404 A C 2.121 179.779 177.584 0.123 0.000 1.158 404 A CA 1.108 53.224 52.037 0.131 0.000 0.661 404 A CB -0.905 18.172 19.000 0.128 0.000 0.801 404 A HN 0.077 nan 8.150 nan 0.000 0.452 405 Q N -0.941 118.934 119.800 0.125 0.000 2.291 405 Q HA -0.022 4.317 4.340 -0.002 0.000 0.205 405 Q C 1.391 177.471 176.000 0.134 0.000 0.970 405 Q CA 0.893 56.767 55.803 0.118 0.000 0.876 405 Q CB -0.656 28.155 28.738 0.123 0.000 0.935 405 Q HN 0.965 nan 8.270 nan 0.000 0.455 406 G N 0.783 109.677 108.800 0.158 0.000 2.249 406 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.273 406 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.273 406 G C 0.134 175.131 174.900 0.162 0.000 1.036 406 G CA 0.336 45.529 45.100 0.154 0.000 0.824 406 G HN 0.226 nan 8.290 nan 0.000 0.504 407 V N 0.838 120.868 119.914 0.193 0.000 2.509 407 V HA 0.274 4.392 4.120 -0.002 0.000 0.297 407 V C 1.156 177.400 176.094 0.249 0.000 1.014 407 V CA 1.519 63.954 62.300 0.224 0.000 1.127 407 V CB 0.947 32.932 31.823 0.271 0.000 0.925 407 V HN 0.712 nan 8.190 nan 0.000 0.480 408 D N 1.140 121.693 120.400 0.255 0.000 2.539 408 D HA 0.194 4.832 4.640 -0.002 0.000 0.232 408 D C -0.194 176.301 176.300 0.324 0.000 1.256 408 D CA -0.244 53.927 54.000 0.285 0.000 0.810 408 D CB 0.406 41.313 40.800 0.178 0.000 1.090 408 D HN 0.630 nan 8.370 nan 0.000 0.519 409 D N -1.449 119.066 120.400 0.193 0.000 2.599 409 D HA 0.092 4.731 4.640 -0.002 0.000 0.252 409 D C 0.860 176.787 176.300 -0.623 0.000 1.232 409 D CA -0.905 52.948 54.000 -0.244 0.000 0.819 409 D CB 1.264 42.020 40.800 -0.072 0.000 1.401 409 D HN -0.210 nan 8.370 nan 0.000 0.429 410 V N 0.779 120.093 119.914 -1.000 0.000 2.332 410 V HA -0.206 3.913 4.120 -0.002 0.000 0.248 410 V C 2.616 178.583 176.094 -0.211 0.000 1.055 410 V CA 2.840 64.726 62.300 -0.690 0.000 1.038 410 V CB -1.131 30.381 31.823 -0.518 0.000 0.651 410 V HN 0.800 nan 8.190 nan 0.000 0.450 411 A N -0.062 122.693 122.820 -0.109 0.000 1.908 411 A HA -0.168 4.150 4.320 -0.002 0.000 0.218 411 A C 2.418 180.040 177.584 0.063 0.000 1.181 411 A CA 2.234 54.284 52.037 0.022 0.000 0.627 411 A CB -0.760 18.265 19.000 0.043 0.000 0.818 411 A HN 0.601 nan 8.150 nan 0.000 0.445 412 A N -0.382 122.470 122.820 0.053 0.000 1.930 412 A HA 0.212 4.530 4.320 -0.002 0.000 0.217 412 A C 2.471 180.153 177.584 0.163 0.000 1.175 412 A CA 1.943 54.045 52.037 0.108 0.000 0.627 412 A CB -0.872 18.200 19.000 0.119 0.000 0.815 412 A HN 1.003 nan 8.150 nan 0.000 0.443 413 A N -0.093 122.832 122.820 0.175 0.000 1.873 413 A HA 0.228 4.547 4.320 -0.002 0.000 0.215 413 A C 2.499 180.277 177.584 0.324 0.000 1.186 413 A CA 1.853 54.054 52.037 0.274 0.000 0.616 413 A CB -1.033 18.087 19.000 0.201 0.000 0.823 413 A HN 1.038 nan 8.150 nan 0.000 0.442 414 A N -0.407 122.531 122.820 0.198 0.000 1.978 414 A HA -0.178 4.141 4.320 -0.002 0.000 0.220 414 A C 2.094 179.841 177.584 0.272 0.000 1.170 414 A CA 1.904 54.083 52.037 0.236 0.000 0.636 414 A CB -0.442 18.685 19.000 0.211 0.000 0.810 414 A HN 0.508 nan 8.150 nan 0.000 0.448 415 K N -1.036 119.488 120.400 0.208 0.000 2.280 415 K HA -0.031 4.288 4.320 -0.002 0.000 0.202 415 K C 1.855 178.539 176.600 0.139 0.000 1.047 415 K CA 1.204 57.586 56.287 0.158 0.000 0.942 415 K CB -0.224 32.346 32.500 0.117 0.000 0.739 415 K HN 0.557 nan 8.250 nan 0.000 0.457 416 M N 0.190 119.893 119.600 0.170 0.000 2.279 416 M HA -0.133 4.345 4.480 -0.002 0.000 0.264 416 M C 0.820 177.145 176.300 0.041 0.000 1.062 416 M CA 1.366 56.727 55.300 0.101 0.000 1.099 416 M CB 0.290 32.970 32.600 0.133 0.000 1.394 416 M HN -0.172 nan 8.290 nan 0.000 0.426 417 K N 0.355 120.822 120.400 0.110 0.000 2.618 417 K HA 0.157 4.475 4.320 -0.002 0.000 0.207 417 K C -0.091 176.586 176.600 0.129 0.000 1.058 417 K CA 0.065 56.400 56.287 0.080 0.000 1.086 417 K CB 0.643 33.204 32.500 0.102 0.000 0.827 417 K HN 0.201 nan 8.250 nan 0.000 0.481 418 Q N -0.870 119.000 119.800 0.117 0.000 2.481 418 Q HA -0.271 4.068 4.340 -0.002 0.000 0.272 418 Q C -0.656 175.427 176.000 0.137 0.000 1.157 418 Q CA 0.915 56.778 55.803 0.100 0.000 0.935 418 Q CB -2.879 25.894 28.738 0.057 0.000 1.338 418 Q HN 0.500 nan 8.270 nan 0.000 0.494 419 Y N 0.115 120.456 120.300 0.068 0.000 2.335 419 Y HA 0.317 4.869 4.550 0.003 0.000 0.339 419 Y C 0.820 176.756 175.900 0.059 0.000 0.987 419 Y CA -0.229 57.912 58.100 0.069 0.000 1.140 419 Y CB 0.885 39.402 38.460 0.096 0.000 1.173 419 Y HN 0.027 nan 8.280 nan 0.000 0.486 420 E N 3.671 123.795 120.200 -0.126 0.000 2.758 420 E HA 0.241 4.590 4.350 -0.002 0.000 0.215 420 E C 0.167 176.709 176.600 -0.095 0.000 0.985 420 E CA -0.140 56.242 56.400 -0.030 0.000 1.102 420 E CB 0.826 30.515 29.700 -0.018 0.000 1.042 420 E HN 0.648 nan 8.360 nan 0.000 0.480 421 A N 1.375 124.022 122.820 -0.289 0.000 2.840 421 A HA 0.314 4.633 4.320 -0.002 0.000 0.269 421 A C -0.064 177.562 177.584 0.071 0.000 1.439 421 A CA 0.010 51.949 52.037 -0.163 0.000 1.083 421 A CB 0.051 18.860 19.000 -0.319 0.000 1.019 421 A HN 0.103 nan 8.150 nan 0.000 0.607 422 V N -0.296 119.687 119.914 0.114 0.000 2.924 422 V HA 0.447 4.565 4.120 -0.002 0.000 0.300 422 V C -0.989 175.170 176.094 0.108 0.000 1.227 422 V CA -0.989 61.395 62.300 0.139 0.000 0.954 422 V CB 1.961 33.889 31.823 0.175 0.000 1.055 422 V HN 0.680 nan 8.190 nan 0.000 0.429 423 R N 5.184 125.758 120.500 0.122 0.000 2.500 423 R HA 0.556 4.895 4.340 -0.002 0.000 0.275 423 R C -2.566 173.781 176.300 0.079 0.000 1.051 423 R CA -1.629 54.505 56.100 0.057 0.000 1.088 423 R CB 0.820 31.096 30.300 -0.041 0.000 1.063 423 R HN 0.490 nan 8.270 nan 0.000 0.511 424 P HA 0.018 nan 4.420 nan 0.000 0.271 424 P C -0.283 177.001 177.300 -0.027 0.000 1.218 424 P CA -0.138 62.973 63.100 0.019 0.000 0.780 424 P CB 0.648 32.353 31.700 0.009 0.000 0.901 425 D N 1.393 121.820 120.400 0.045 0.000 2.123 425 D HA -0.203 4.435 4.640 -0.002 0.000 0.196 425 D C 1.560 177.856 176.300 -0.007 0.000 0.992 425 D CA 1.416 55.452 54.000 0.060 0.000 0.833 425 D CB -0.216 40.746 40.800 0.271 0.000 0.954 425 D HN 0.607 nan 8.370 nan 0.000 0.455 426 E N 0.405 120.629 120.200 0.040 0.000 2.160 426 E HA -0.173 4.176 4.350 -0.002 0.000 0.195 426 E C 1.900 178.479 176.600 -0.035 0.000 0.991 426 E CA 1.051 57.474 56.400 0.038 0.000 0.810 426 E CB 0.024 29.750 29.700 0.042 0.000 0.742 426 E HN 0.190 nan 8.360 nan 0.000 0.466 427 A N 0.237 123.003 122.820 -0.091 0.000 1.969 427 A HA -0.086 4.233 4.320 -0.002 0.000 0.218 427 A C 2.279 179.737 177.584 -0.209 0.000 1.169 427 A CA 1.237 53.202 52.037 -0.120 0.000 0.635 427 A CB -0.219 18.714 19.000 -0.111 0.000 0.810 427 A HN 0.223 nan 8.150 nan 0.000 0.445 428 V N -1.979 117.699 119.914 -0.393 0.000 2.379 428 V HA -0.155 3.964 4.120 -0.002 0.000 0.243 428 V C 2.084 177.909 176.094 -0.448 0.000 1.035 428 V CA 1.452 63.398 62.300 -0.590 0.000 1.035 428 V CB -0.894 30.205 31.823 -1.206 0.000 0.673 428 V HN 0.703 nan 8.190 nan 0.000 0.457 429 Y N 0.336 120.576 120.300 -0.100 0.000 2.500 429 Y HA 0.486 5.035 4.550 -0.001 0.000 0.270 429 Y C 1.640 177.524 175.900 -0.028 0.000 1.134 429 Y CA 0.327 58.401 58.100 -0.045 0.000 1.293 429 Y CB 0.129 38.580 38.460 -0.015 0.000 1.063 429 Y HN 0.372 nan 8.280 nan 0.000 0.534 430 G N 1.805 110.654 108.800 0.082 0.000 2.693 430 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.226 430 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.226 430 G C -0.760 174.184 174.900 0.073 0.000 1.354 430 G CA -0.144 44.988 45.100 0.054 0.000 0.873 430 G HN 0.395 nan 8.290 nan 0.000 0.562 431 K N -1.111 119.318 120.400 0.049 0.000 2.533 431 K HA 0.767 5.086 4.320 -0.002 0.000 0.272 431 K C 0.851 177.469 176.600 0.031 0.000 0.985 431 K CA 0.069 56.383 56.287 0.045 0.000 0.876 431 K CB 1.508 34.032 32.500 0.041 0.000 1.452 431 K HN 2.625 nan 8.250 nan 0.000 0.439 432 G N 0.781 109.597 108.800 0.026 0.000 2.566 432 G HA2 -0.383 3.575 3.960 -0.002 0.000 0.280 432 G HA3 -0.383 3.575 3.960 -0.002 0.000 0.280 432 G C 0.937 175.846 174.900 0.015 0.000 1.225 432 G CA 0.984 46.095 45.100 0.018 0.000 0.966 432 G HN 1.219 nan 8.290 nan 0.000 0.560 433 A N -0.537 122.290 122.820 0.012 0.000 2.070 433 A HA 0.063 4.382 4.320 -0.002 0.000 0.220 433 A C 2.144 179.735 177.584 0.012 0.000 1.159 433 A CA 2.363 54.406 52.037 0.010 0.000 0.656 433 A CB -0.331 18.673 19.000 0.008 0.000 0.800 433 A HN 0.638 nan 8.150 nan 0.000 0.453 434 K N -0.873 119.537 120.400 0.017 0.000 2.426 434 K HA 0.064 4.382 4.320 -0.002 0.000 0.193 434 K C 0.731 177.349 176.600 0.030 0.000 1.028 434 K CA -0.290 56.009 56.287 0.020 0.000 1.047 434 K CB 0.117 32.627 32.500 0.018 0.000 0.821 434 K HN 0.283 nan 8.250 nan 0.000 0.513 435 R N 1.629 122.149 120.500 0.033 0.000 2.638 435 R HA 0.094 4.433 4.340 -0.002 0.000 0.268 435 R C -0.935 175.392 176.300 0.045 0.000 1.006 435 R CA 0.598 56.727 56.100 0.048 0.000 1.088 435 R CB 0.262 30.580 30.300 0.030 0.000 0.950 435 R HN 0.181 nan 8.270 nan 0.000 0.419 436 A N 2.670 125.536 122.820 0.077 0.000 2.586 436 A HA 0.342 4.660 4.320 -0.002 0.000 0.296 436 A C -1.573 176.095 177.584 0.140 0.000 1.040 436 A CA -0.819 51.260 52.037 0.070 0.000 0.701 436 A CB 0.976 20.007 19.000 0.053 0.000 1.277 436 A HN 0.431 nan 8.150 nan 0.000 0.413 437 V N 3.994 123.971 119.914 0.106 0.000 2.488 437 V HA 0.421 4.540 4.120 -0.002 0.000 0.277 437 V C -1.255 174.924 176.094 0.141 0.000 1.046 437 V CA -0.524 61.880 62.300 0.173 0.000 0.986 437 V CB 0.641 32.520 31.823 0.093 0.000 0.989 437 V HN 0.872 nan 8.190 nan 0.000 0.475 438 P HA 0.268 nan 4.420 nan 0.000 0.277 438 P C -0.639 176.690 177.300 0.048 0.000 1.271 438 P CA -0.651 62.487 63.100 0.062 0.000 0.795 438 P CB 0.708 32.412 31.700 0.007 0.000 1.101 439 D N 0.058 120.470 120.400 0.020 0.000 2.400 439 D HA -0.050 4.589 4.640 -0.002 0.000 0.238 439 D C 1.362 177.661 176.300 -0.002 0.000 1.157 439 D CA 0.098 54.106 54.000 0.013 0.000 0.889 439 D CB 0.405 41.206 40.800 0.003 0.000 1.199 439 D HN 0.507 nan 8.370 nan 0.000 0.436 440 E N 1.215 121.414 120.200 -0.002 0.000 2.108 440 E HA -0.215 4.134 4.350 -0.002 0.000 0.203 440 E C -0.949 175.575 176.600 -0.127 0.000 1.022 440 E CA 1.400 57.770 56.400 -0.050 0.000 0.823 440 E CB -0.341 29.358 29.700 -0.003 0.000 0.744 440 E HN 0.293 nan 8.360 nan 0.000 0.456 441 P HA -0.148 nan 4.420 nan 0.000 0.215 441 P C 1.409 178.681 177.300 -0.047 0.000 1.153 441 P CA 1.114 64.187 63.100 -0.045 0.000 0.853 441 P CB 0.086 31.773 31.700 -0.021 0.000 0.788 442 V N -0.648 119.235 119.914 -0.051 0.000 2.323 442 V HA -0.178 3.941 4.120 -0.002 0.000 0.244 442 V C 2.362 178.415 176.094 -0.069 0.000 1.041 442 V CA 1.358 63.625 62.300 -0.054 0.000 1.025 442 V CB -1.202 30.586 31.823 -0.059 0.000 0.656 442 V HN 0.041 nan 8.190 nan 0.000 0.451 443 L N 1.146 122.327 121.223 -0.070 0.000 1.994 443 L HA -0.103 4.236 4.340 -0.002 0.000 0.208 443 L C 2.470 179.244 176.870 -0.159 0.000 1.071 443 L CA 2.515 57.339 54.840 -0.027 0.000 0.745 443 L CB -0.977 41.106 42.059 0.040 0.000 0.892 443 L HN 0.210 nan 8.230 nan 0.000 0.431 444 A N -0.846 121.680 122.820 -0.490 0.000 1.908 444 A HA -0.295 4.024 4.320 -0.002 0.000 0.218 444 A C 2.350 179.572 177.584 -0.603 0.000 1.181 444 A CA 1.964 53.439 52.037 -0.938 0.000 0.627 444 A CB -0.837 17.430 19.000 -1.222 0.000 0.818 444 A HN 0.657 nan 8.150 nan 0.000 0.445 445 E N -1.414 118.614 120.200 -0.287 0.000 2.110 445 E HA -0.275 4.074 4.350 -0.002 0.000 0.193 445 E C 1.914 178.446 176.600 -0.113 0.000 0.988 445 E CA 1.334 57.636 56.400 -0.163 0.000 0.804 445 E CB -0.213 29.528 29.700 0.068 0.000 0.745 445 E HN 0.796 nan 8.360 nan 0.000 0.458 446 H N 0.647 119.621 119.070 -0.160 0.000 2.293 446 H HA -0.065 4.488 4.556 -0.004 0.000 0.300 446 H C 2.029 177.305 175.328 -0.087 0.000 1.082 446 H CA 1.869 57.844 56.048 -0.120 0.000 1.308 446 H CB -0.316 29.355 29.762 -0.153 0.000 1.375 446 H HN 0.134 nan 8.280 nan 0.000 0.495 447 L N -0.598 120.532 121.223 -0.155 0.000 2.083 447 L HA -0.144 4.195 4.340 -0.002 0.000 0.209 447 L C 2.546 179.329 176.870 -0.146 0.000 1.083 447 L CA 1.065 55.823 54.840 -0.137 0.000 0.752 447 L CB -0.506 41.607 42.059 0.090 0.000 0.899 447 L HN 0.213 nan 8.230 nan 0.000 0.433 448 V N -0.159 119.622 119.914 -0.221 0.000 2.427 448 V HA -0.227 3.892 4.120 -0.002 0.000 0.248 448 V C 2.618 178.636 176.094 -0.126 0.000 1.051 448 V CA 1.552 63.712 62.300 -0.234 0.000 1.048 448 V CB -0.532 30.965 31.823 -0.543 0.000 0.666 448 V HN 0.400 nan 8.190 nan 0.000 0.456 449 R N -0.205 120.228 120.500 -0.112 0.000 2.115 449 R HA -0.132 4.207 4.340 -0.002 0.000 0.230 449 R C 2.375 178.657 176.300 -0.030 0.000 1.111 449 R CA 1.255 57.344 56.100 -0.018 0.000 0.976 449 R CB -0.197 30.116 30.300 0.022 0.000 0.870 449 R HN 0.487 nan 8.270 nan 0.000 0.445 450 K N 0.045 120.359 120.400 -0.143 0.000 2.057 450 K HA -0.035 4.284 4.320 -0.002 0.000 0.206 450 K C 2.094 178.661 176.600 -0.056 0.000 1.050 450 K CA 1.242 57.440 56.287 -0.148 0.000 0.935 450 K CB -0.054 32.286 32.500 -0.266 0.000 0.715 450 K HN 0.110 nan 8.250 nan 0.000 0.439 451 A N 1.432 124.235 122.820 -0.029 0.000 1.933 451 A HA -0.101 4.217 4.320 -0.002 0.000 0.218 451 A C 2.344 179.973 177.584 0.075 0.000 1.175 451 A CA 1.791 53.849 52.037 0.036 0.000 0.628 451 A CB -0.662 18.352 19.000 0.023 0.000 0.814 451 A HN 0.325 nan 8.150 nan 0.000 0.444 452 A N -0.103 122.749 122.820 0.053 0.000 1.902 452 A HA 0.169 4.487 4.320 -0.002 0.000 0.217 452 A C 2.498 180.147 177.584 0.109 0.000 1.181 452 A CA 2.048 54.156 52.037 0.117 0.000 0.623 452 A CB -0.979 18.096 19.000 0.125 0.000 0.818 452 A HN 1.017 nan 8.150 nan 0.000 0.443 453 A N -0.023 122.788 122.820 -0.015 0.000 1.877 453 A HA -0.076 4.242 4.320 -0.002 0.000 0.216 453 A C 2.112 179.575 177.584 -0.201 0.000 1.186 453 A CA 1.508 53.337 52.037 -0.346 0.000 0.620 453 A CB -0.627 18.196 19.000 -0.296 0.000 0.822 453 A HN 0.488 nan 8.150 nan 0.000 0.443 454 I N -1.675 118.884 120.570 -0.019 0.000 2.208 454 I HA -0.302 3.867 4.170 -0.002 0.000 0.245 454 I C 2.522 178.718 176.117 0.132 0.000 1.097 454 I CA 1.503 62.851 61.300 0.081 0.000 1.363 454 I CB -0.335 37.762 38.000 0.162 0.000 1.051 454 I HN 0.712 nan 8.210 nan 0.000 0.413 455 W N 2.065 123.345 121.300 -0.032 0.000 2.338 455 W HA -0.287 4.369 4.660 -0.007 0.000 0.304 455 W C 2.407 178.893 176.519 -0.054 0.000 1.212 455 W CA 2.091 59.422 57.345 -0.023 0.000 1.264 455 W CB 0.020 29.485 29.460 0.009 0.000 1.142 455 W HN 0.188 nan 8.180 nan 0.000 0.512 456 E N 0.591 120.808 120.200 0.027 0.000 2.112 456 E HA -0.143 4.206 4.350 -0.002 0.000 0.190 456 E C 2.164 178.693 176.600 -0.117 0.000 0.979 456 E CA 1.423 57.778 56.400 -0.076 0.000 0.814 456 E CB -0.862 28.837 29.700 -0.002 0.000 0.762 456 E HN 0.332 nan 8.360 nan 0.000 0.460 457 L N 0.542 121.692 121.223 -0.121 0.000 2.418 457 L HA 0.088 4.427 4.340 -0.002 0.000 0.218 457 L C 2.433 179.302 176.870 -0.002 0.000 1.125 457 L CA 0.750 55.595 54.840 0.009 0.000 0.835 457 L CB -0.358 41.702 42.059 0.003 0.000 0.953 457 L HN 0.256 nan 8.230 nan 0.000 0.454 458 E N 0.956 120.994 120.200 -0.269 0.000 2.049 458 E HA -0.320 4.029 4.350 -0.002 0.000 0.198 458 E C 2.307 178.622 176.600 -0.476 0.000 1.007 458 E CA 1.524 57.480 56.400 -0.740 0.000 0.809 458 E CB 0.086 29.286 29.700 -0.835 0.000 0.749 458 E HN 0.160 nan 8.360 nan 0.000 0.450 459 R N 0.695 121.015 120.500 -0.301 0.000 2.073 459 R HA -0.068 4.271 4.340 -0.002 0.000 0.234 459 R C -0.802 175.454 176.300 -0.074 0.000 1.134 459 R CA 2.046 58.032 56.100 -0.190 0.000 0.952 459 R CB -1.430 28.764 30.300 -0.176 0.000 0.850 459 R HN 0.330 nan 8.270 nan 0.000 0.433 460 P HA -0.133 nan 4.420 nan 0.000 0.217 460 P C 1.168 178.473 177.300 0.008 0.000 1.150 460 P CA 1.257 64.359 63.100 0.002 0.000 0.832 460 P CB -0.187 31.527 31.700 0.023 0.000 0.787 461 F N -0.149 119.792 119.950 -0.015 0.000 2.113 461 F HA -0.065 4.459 4.527 -0.004 0.000 0.297 461 F C 2.640 178.481 175.800 0.069 0.000 1.103 461 F CA 1.172 59.218 58.000 0.076 0.000 1.248 461 F CB -1.295 37.849 39.000 0.239 0.000 0.999 461 F HN -0.260 nan 8.300 nan 0.000 0.475 462 L N -0.476 120.852 121.223 0.175 0.000 2.083 462 L HA -0.232 4.107 4.340 -0.002 0.000 0.209 462 L C 2.018 178.916 176.870 0.047 0.000 1.083 462 L CA 1.157 56.058 54.840 0.101 0.000 0.752 462 L CB -0.624 41.422 42.059 -0.021 0.000 0.899 462 L HN 0.066 nan 8.230 nan 0.000 0.433 463 D N -0.249 120.156 120.400 0.008 0.000 2.117 463 D HA -0.223 4.416 4.640 -0.002 0.000 0.197 463 D C 2.051 178.344 176.300 -0.012 0.000 0.987 463 D CA 1.165 55.159 54.000 -0.011 0.000 0.829 463 D CB 0.041 40.823 40.800 -0.029 0.000 0.961 463 D HN 0.352 nan 8.370 nan 0.000 0.460 464 E N 0.082 120.265 120.200 -0.029 0.000 2.106 464 E HA -0.096 4.253 4.350 -0.002 0.000 0.192 464 E C 2.278 178.872 176.600 -0.011 0.000 0.984 464 E CA 0.313 56.686 56.400 -0.046 0.000 0.806 464 E CB -0.022 29.609 29.700 -0.115 0.000 0.750 464 E HN 0.200 nan 8.360 nan 0.000 0.458 465 L N 0.358 121.600 121.223 0.032 0.000 2.046 465 L HA -0.179 4.160 4.340 -0.002 0.000 0.208 465 L C 2.864 179.759 176.870 0.041 0.000 1.077 465 L CA 1.318 56.191 54.840 0.055 0.000 0.747 465 L CB -0.347 41.780 42.059 0.113 0.000 0.896 465 L HN 0.110 nan 8.230 nan 0.000 0.432 466 R N 0.129 120.651 120.500 0.036 0.000 2.081 466 R HA -0.135 4.203 4.340 -0.002 0.000 0.235 466 R C 2.472 178.783 176.300 0.019 0.000 1.131 466 R CA 1.265 57.383 56.100 0.030 0.000 0.960 466 R CB -0.038 30.274 30.300 0.020 0.000 0.856 466 R HN 0.240 nan 8.270 nan 0.000 0.436 467 R N -0.151 120.352 120.500 0.005 0.000 2.120 467 R HA -0.049 4.290 4.340 -0.002 0.000 0.234 467 R C 1.372 177.667 176.300 -0.009 0.000 1.123 467 R CA 1.344 57.442 56.100 -0.003 0.000 0.975 467 R CB -0.226 30.067 30.300 -0.012 0.000 0.866 467 R HN 0.255 nan 8.270 nan 0.000 0.446 468 N N 0.787 119.477 118.700 -0.017 0.000 2.461 468 N HA -0.046 4.692 4.740 -0.002 0.000 0.188 468 N C -0.505 174.992 175.510 -0.023 0.000 1.134 468 N CA 0.385 53.407 53.050 -0.046 0.000 0.878 468 N CB 0.205 38.651 38.487 -0.067 0.000 0.972 468 N HN 0.180 nan 8.380 nan 0.000 0.456 469 E N -0.599 119.618 120.200 0.029 0.000 2.416 469 E HA -0.260 4.089 4.350 -0.002 0.000 0.249 469 E C -0.229 176.485 176.600 0.189 0.000 1.124 469 E CA 0.252 56.716 56.400 0.107 0.000 0.732 469 E CB -1.465 28.293 29.700 0.097 0.000 1.286 469 E HN 0.514 nan 8.360 nan 0.000 0.394 470 Q N -0.686 119.176 119.800 0.103 0.000 2.149 470 Q HA -0.008 4.330 4.340 -0.002 0.000 0.221 470 Q C 1.305 177.349 176.000 0.074 0.000 0.807 470 Q CA 0.262 56.121 55.803 0.094 0.000 1.000 470 Q CB 0.526 29.298 28.738 0.056 0.000 1.157 470 Q HN 0.384 nan 8.270 nan 0.000 0.487 471 D N 0.988 121.430 120.400 0.071 0.000 2.144 471 D HA -0.203 4.436 4.640 -0.002 0.000 0.199 471 D C 1.505 177.836 176.300 0.051 0.000 0.984 471 D CA 0.871 54.912 54.000 0.068 0.000 0.834 471 D CB -0.023 40.813 40.800 0.060 0.000 0.955 471 D HN 0.170 nan 8.370 nan 0.000 0.465 472 R N -0.295 120.226 120.500 0.034 0.000 2.115 472 R HA 0.021 4.360 4.340 -0.002 0.000 0.226 472 R C 2.430 178.733 176.300 0.004 0.000 1.100 472 R CA 0.269 56.376 56.100 0.011 0.000 0.980 472 R CB -0.322 29.972 30.300 -0.010 0.000 0.875 472 R HN 0.133 nan 8.270 nan 0.000 0.445 473 L N 1.096 122.325 121.223 0.010 0.000 2.042 473 L HA -0.157 4.182 4.340 -0.002 0.000 0.210 473 L C 1.974 178.856 176.870 0.020 0.000 1.076 473 L CA 1.545 56.389 54.840 0.007 0.000 0.749 473 L CB -0.485 41.587 42.059 0.021 0.000 0.893 473 L HN 0.132 nan 8.230 nan 0.000 0.432 474 L N -1.495 119.749 121.223 0.035 0.000 2.023 474 L HA -0.088 4.250 4.340 -0.002 0.000 0.205 474 L C 2.275 179.157 176.870 0.020 0.000 1.073 474 L CA 1.851 56.711 54.840 0.035 0.000 0.745 474 L CB -0.643 41.455 42.059 0.064 0.000 0.900 474 L HN 0.073 nan 8.230 nan 0.000 0.435 475 V N -0.397 119.535 119.914 0.031 0.000 2.548 475 V HA -0.166 3.953 4.120 -0.002 0.000 0.249 475 V C 2.189 178.285 176.094 0.004 0.000 1.055 475 V CA 1.917 64.231 62.300 0.023 0.000 1.065 475 V CB -0.649 31.195 31.823 0.034 0.000 0.681 475 V HN 0.510 nan 8.190 nan 0.000 0.462 476 E N -1.041 119.159 120.200 -0.001 0.000 2.431 476 E HA 0.125 4.474 4.350 -0.002 0.000 0.200 476 E C 1.586 178.177 176.600 -0.015 0.000 0.995 476 E CA 0.190 56.583 56.400 -0.011 0.000 0.915 476 E CB 0.627 30.318 29.700 -0.016 0.000 0.930 476 E HN 0.436 nan 8.360 nan 0.000 0.496 477 L N 0.252 121.469 121.223 -0.011 0.000 2.919 477 L HA 0.109 4.447 4.340 -0.002 0.000 0.169 477 L C 1.830 178.695 176.870 -0.007 0.000 1.228 477 L CA 0.551 55.385 54.840 -0.011 0.000 0.862 477 L CB 0.241 42.295 42.059 -0.008 0.000 1.313 477 L HN -0.217 nan 8.230 nan 0.000 0.526 478 E N 0.144 120.346 120.200 0.003 0.000 2.051 478 E HA -0.249 4.099 4.350 -0.002 0.000 0.192 478 E C 2.014 178.598 176.600 -0.026 0.000 0.991 478 E CA 1.583 57.985 56.400 0.003 0.000 0.799 478 E CB -0.270 29.449 29.700 0.031 0.000 0.748 478 E HN 0.609 nan 8.360 nan 0.000 0.449 479 Q N -0.236 119.543 119.800 -0.035 0.000 2.046 479 Q HA -0.095 4.244 4.340 -0.002 0.000 0.200 479 Q C -0.520 175.452 176.000 -0.047 0.000 0.975 479 Q CA 1.357 57.128 55.803 -0.054 0.000 0.836 479 Q CB -0.871 27.836 28.738 -0.052 0.000 0.896 479 Q HN 0.234 nan 8.270 nan 0.000 0.428 480 P HA -0.156 nan 4.420 nan 0.000 0.217 480 P C 1.278 178.556 177.300 -0.036 0.000 1.150 480 P CA 0.860 63.939 63.100 -0.036 0.000 0.832 480 P CB 0.004 31.687 31.700 -0.029 0.000 0.787 481 L N -0.625 120.578 121.223 -0.034 0.000 2.083 481 L HA -0.103 4.235 4.340 -0.002 0.000 0.209 481 L C 2.381 179.228 176.870 -0.039 0.000 1.083 481 L CA 1.848 56.666 54.840 -0.037 0.000 0.752 481 L CB -1.485 40.554 42.059 -0.032 0.000 0.899 481 L HN -0.100 nan 8.230 nan 0.000 0.433 482 S N -1.290 114.384 115.700 -0.042 0.000 2.370 482 S HA -0.212 4.256 4.470 -0.002 0.000 0.226 482 S C 2.091 176.671 174.600 -0.033 0.000 1.033 482 S CA 1.772 59.946 58.200 -0.043 0.000 1.011 482 S CB -0.373 62.784 63.200 -0.071 0.000 0.852 482 S HN 0.676 nan 8.310 nan 0.000 0.457 483 S N 1.028 116.702 115.700 -0.042 0.000 2.383 483 S HA 0.079 4.547 4.470 -0.002 0.000 0.227 483 S C 1.727 176.316 174.600 -0.018 0.000 1.026 483 S CA 1.222 59.398 58.200 -0.040 0.000 0.981 483 S CB -0.360 62.810 63.200 -0.051 0.000 0.818 483 S HN 0.536 nan 8.310 nan 0.000 0.472 484 I N 1.274 121.833 120.570 -0.018 0.000 2.252 484 I HA -0.142 4.026 4.170 -0.002 0.000 0.245 484 I C 1.977 178.102 176.117 0.014 0.000 1.102 484 I CA 1.005 62.299 61.300 -0.009 0.000 1.385 484 I CB -0.334 37.650 38.000 -0.027 0.000 1.064 484 I HN 0.231 nan 8.210 nan 0.000 0.414 485 L N 0.525 121.753 121.223 0.009 0.000 2.083 485 L HA -0.187 4.152 4.340 -0.002 0.000 0.209 485 L C 2.872 179.858 176.870 0.194 0.000 1.083 485 L CA 1.226 56.107 54.840 0.067 0.000 0.752 485 L CB -0.739 41.355 42.059 0.058 0.000 0.899 485 L HN 0.234 nan 8.230 nan 0.000 0.433 486 A N 0.102 123.000 122.820 0.131 0.000 1.908 486 A HA -0.238 4.080 4.320 -0.002 0.000 0.218 486 A C 2.168 179.865 177.584 0.187 0.000 1.181 486 A CA 1.810 53.937 52.037 0.149 0.000 0.627 486 A CB -0.433 18.585 19.000 0.030 0.000 0.818 486 A HN 0.464 nan 8.150 nan 0.000 0.445 487 E N -0.735 119.537 120.200 0.120 0.000 2.077 487 E HA -0.178 4.170 4.350 -0.002 0.000 0.193 487 E C 2.111 178.814 176.600 0.172 0.000 0.989 487 E CA 1.498 57.973 56.400 0.124 0.000 0.800 487 E CB -0.276 29.453 29.700 0.048 0.000 0.746 487 E HN 0.678 nan 8.360 nan 0.000 0.452 488 M N 0.546 120.254 119.600 0.179 0.000 2.086 488 M HA -0.184 4.295 4.480 -0.002 0.000 0.261 488 M C 2.096 178.576 176.300 0.300 0.000 1.067 488 M CA 1.549 56.979 55.300 0.216 0.000 1.116 488 M CB -0.192 32.548 32.600 0.233 0.000 1.348 488 M HN 0.047 nan 8.290 nan 0.000 0.407 489 E N -0.129 120.319 120.200 0.414 0.000 2.051 489 E HA -0.211 4.137 4.350 -0.002 0.000 0.192 489 E C 1.831 178.757 176.600 0.543 0.000 0.991 489 E CA 1.344 58.039 56.400 0.491 0.000 0.799 489 E CB -0.288 29.788 29.700 0.626 0.000 0.748 489 E HN 0.394 nan 8.360 nan 0.000 0.449 490 F N 1.550 121.687 119.950 0.311 0.000 2.134 490 F HA -0.145 4.381 4.527 -0.002 0.000 0.299 490 F C 2.171 177.994 175.800 0.039 0.000 1.097 490 F CA 1.279 59.333 58.000 0.090 0.000 1.264 490 F CB -0.400 38.543 39.000 -0.096 0.000 1.001 490 F HN -0.061 nan 8.300 nan 0.000 0.479 491 A N 0.284 123.086 122.820 -0.030 0.000 1.877 491 A HA 0.262 4.581 4.320 -0.002 0.000 0.216 491 A C 1.716 179.219 177.584 -0.136 0.000 1.186 491 A CA 1.417 53.347 52.037 -0.178 0.000 0.620 491 A CB -1.560 17.362 19.000 -0.131 0.000 0.822 491 A HN 1.059 nan 8.150 nan 0.000 0.443 492 G N -2.693 106.067 108.800 -0.067 0.000 2.855 492 G HA2 0.032 3.991 3.960 -0.002 0.000 0.352 492 G HA3 0.032 3.991 3.960 -0.002 0.000 0.352 492 G C -0.513 174.278 174.900 -0.182 0.000 1.415 492 G CA -0.337 44.569 45.100 -0.322 0.000 0.871 492 G HN 1.184 nan 8.290 nan 0.000 0.543 493 V N 0.644 120.448 119.914 -0.184 0.000 2.487 493 V HA 0.592 4.710 4.120 -0.002 0.000 0.298 493 V C 0.422 176.477 176.094 -0.065 0.000 1.028 493 V CA -0.759 61.518 62.300 -0.038 0.000 0.860 493 V CB 1.730 33.613 31.823 0.099 0.000 0.991 493 V HN 1.007 nan 8.190 nan 0.000 0.427 494 K N 3.542 123.916 120.400 -0.042 0.000 2.350 494 K HA 0.457 4.776 4.320 -0.002 0.000 0.279 494 K C -0.902 175.647 176.600 -0.085 0.000 1.027 494 K CA 0.174 56.420 56.287 -0.070 0.000 0.969 494 K CB 0.964 33.433 32.500 -0.053 0.000 0.954 494 K HN 0.451 nan 8.250 nan 0.000 0.474 495 V N 3.836 123.663 119.914 -0.146 0.000 2.604 495 V HA 0.183 4.302 4.120 -0.002 0.000 0.305 495 V C -0.652 175.350 176.094 -0.154 0.000 1.043 495 V CA -0.946 61.211 62.300 -0.239 0.000 0.888 495 V CB 1.727 33.360 31.823 -0.316 0.000 0.995 495 V HN 0.804 nan 8.190 nan 0.000 0.429 496 D N 3.154 123.468 120.400 -0.143 0.000 2.483 496 D HA 0.085 4.724 4.640 -0.002 0.000 0.220 496 D C 1.516 177.759 176.300 -0.095 0.000 1.173 496 D CA 0.279 54.228 54.000 -0.086 0.000 0.964 496 D CB 1.211 41.980 40.800 -0.052 0.000 1.046 496 D HN 0.765 nan 8.370 nan 0.000 0.517 497 T N 0.987 115.488 114.554 -0.087 0.000 2.833 497 T HA -0.170 4.179 4.350 -0.002 0.000 0.269 497 T C 1.680 176.347 174.700 -0.055 0.000 1.054 497 T CA 0.664 62.718 62.100 -0.076 0.000 1.135 497 T CB 0.085 68.915 68.868 -0.063 0.000 0.869 497 T HN 0.135 nan 8.240 nan 0.000 0.466 498 K N 1.225 121.598 120.400 -0.045 0.000 2.032 498 K HA -0.034 4.285 4.320 -0.002 0.000 0.209 498 K C 2.533 179.112 176.600 -0.036 0.000 1.048 498 K CA 1.630 57.897 56.287 -0.035 0.000 0.927 498 K CB -0.479 32.005 32.500 -0.028 0.000 0.712 498 K HN 0.374 nan 8.250 nan 0.000 0.441 499 R N 1.549 122.024 120.500 -0.041 0.000 2.083 499 R HA -0.041 4.297 4.340 -0.002 0.000 0.237 499 R C 2.336 178.609 176.300 -0.044 0.000 1.137 499 R CA 1.256 57.331 56.100 -0.042 0.000 0.951 499 R CB -0.776 29.498 30.300 -0.044 0.000 0.851 499 R HN 0.146 nan 8.270 nan 0.000 0.434 500 L N 0.135 121.327 121.223 -0.052 0.000 2.046 500 L HA -0.165 4.173 4.340 -0.002 0.000 0.208 500 L C 2.393 179.243 176.870 -0.033 0.000 1.077 500 L CA 1.924 56.738 54.840 -0.044 0.000 0.747 500 L CB -0.451 41.573 42.059 -0.059 0.000 0.896 500 L HN 0.371 nan 8.230 nan 0.000 0.432 501 E N -0.668 119.511 120.200 -0.034 0.000 2.110 501 E HA -0.288 4.061 4.350 -0.002 0.000 0.193 501 E C 2.088 178.673 176.600 -0.025 0.000 0.988 501 E CA 1.049 57.432 56.400 -0.027 0.000 0.804 501 E CB 0.031 29.715 29.700 -0.027 0.000 0.745 501 E HN 0.296 nan 8.360 nan 0.000 0.458 502 Q N 0.536 120.319 119.800 -0.027 0.000 2.079 502 Q HA -0.098 4.241 4.340 -0.002 0.000 0.200 502 Q C 1.907 177.891 176.000 -0.026 0.000 0.974 502 Q CA 1.590 57.378 55.803 -0.025 0.000 0.840 502 Q CB -0.050 28.672 28.738 -0.027 0.000 0.898 502 Q HN 0.273 nan 8.270 nan 0.000 0.430 503 M N -0.978 118.605 119.600 -0.029 0.000 2.117 503 M HA -0.060 4.419 4.480 -0.002 0.000 0.262 503 M C 2.060 178.346 176.300 -0.023 0.000 1.065 503 M CA 1.518 56.800 55.300 -0.029 0.000 1.114 503 M CB -0.633 31.949 32.600 -0.030 0.000 1.361 503 M HN 0.413 nan 8.290 nan 0.000 0.408 504 G N 1.855 110.642 108.800 -0.021 0.000 2.440 504 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.218 504 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.218 504 G C 1.510 176.397 174.900 -0.022 0.000 1.154 504 G CA 1.378 46.466 45.100 -0.020 0.000 0.767 504 G HN 0.606 nan 8.290 nan 0.000 0.552 505 K N 0.396 120.784 120.400 -0.020 0.000 2.217 505 K HA 0.095 4.413 4.320 -0.002 0.000 0.202 505 K C 2.003 178.592 176.600 -0.019 0.000 1.051 505 K CA 1.259 57.535 56.287 -0.018 0.000 0.952 505 K CB -0.205 32.285 32.500 -0.016 0.000 0.736 505 K HN 0.338 nan 8.250 nan 0.000 0.453 506 E N 0.910 121.097 120.200 -0.021 0.000 2.047 506 E HA -0.142 4.207 4.350 -0.002 0.000 0.191 506 E C 1.930 178.514 176.600 -0.026 0.000 0.987 506 E CA 1.022 57.409 56.400 -0.021 0.000 0.799 506 E CB -0.077 29.611 29.700 -0.021 0.000 0.752 506 E HN 0.150 nan 8.360 nan 0.000 0.449 507 L N 0.746 121.949 121.223 -0.033 0.000 2.056 507 L HA -0.135 4.204 4.340 -0.002 0.000 0.207 507 L C 2.362 179.200 176.870 -0.054 0.000 1.078 507 L CA 1.672 56.482 54.840 -0.050 0.000 0.749 507 L CB -0.951 41.077 42.059 -0.053 0.000 0.901 507 L HN 0.063 nan 8.230 nan 0.000 0.433 508 A N -0.591 122.205 122.820 -0.038 0.000 1.948 508 A HA -0.251 4.068 4.320 -0.002 0.000 0.220 508 A C 2.252 179.822 177.584 -0.023 0.000 1.177 508 A CA 1.942 53.961 52.037 -0.030 0.000 0.636 508 A CB -0.482 18.506 19.000 -0.020 0.000 0.815 508 A HN 0.545 nan 8.150 nan 0.000 0.449 509 E N -0.613 119.575 120.200 -0.021 0.000 2.046 509 E HA -0.194 4.155 4.350 -0.002 0.000 0.190 509 E C 2.318 178.906 176.600 -0.020 0.000 0.982 509 E CA 1.215 57.606 56.400 -0.014 0.000 0.800 509 E CB -0.242 29.452 29.700 -0.010 0.000 0.756 509 E HN 0.741 nan 8.360 nan 0.000 0.449 510 Q N 0.622 120.402 119.800 -0.033 0.000 2.084 510 Q HA -0.132 4.206 4.340 -0.002 0.000 0.202 510 Q C 2.352 178.306 176.000 -0.077 0.000 0.978 510 Q CA 0.998 56.770 55.803 -0.051 0.000 0.844 510 Q CB -0.098 28.599 28.738 -0.068 0.000 0.898 510 Q HN 0.287 nan 8.270 nan 0.000 0.426 511 L N -0.207 120.970 121.223 -0.078 0.000 2.083 511 L HA -0.126 4.212 4.340 -0.002 0.000 0.209 511 L C 2.350 179.229 176.870 0.015 0.000 1.083 511 L CA 1.047 55.859 54.840 -0.047 0.000 0.752 511 L CB -0.644 41.374 42.059 -0.070 0.000 0.899 511 L HN 0.348 nan 8.230 nan 0.000 0.433 512 G N -1.112 107.688 108.800 0.000 0.000 2.408 512 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.217 512 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.217 512 G C 1.571 176.467 174.900 -0.006 0.000 1.150 512 G CA 1.202 46.306 45.100 0.007 0.000 0.776 512 G HN 0.270 nan 8.290 nan 0.000 0.542 513 T N 0.243 114.791 114.554 -0.009 0.000 2.770 513 T HA -0.095 4.253 4.350 -0.002 0.000 0.263 513 T C 2.376 177.063 174.700 -0.021 0.000 1.039 513 T CA 1.155 63.251 62.100 -0.006 0.000 1.142 513 T CB -0.367 68.504 68.868 0.006 0.000 0.868 513 T HN 0.060 nan 8.240 nan 0.000 0.435 514 V N 1.332 121.231 119.914 -0.025 0.000 2.427 514 V HA -0.139 3.980 4.120 -0.002 0.000 0.248 514 V C 2.453 178.469 176.094 -0.130 0.000 1.051 514 V CA 2.232 64.514 62.300 -0.029 0.000 1.048 514 V CB -0.382 31.434 31.823 -0.012 0.000 0.666 514 V HN 0.550 nan 8.190 nan 0.000 0.456 515 E N -0.952 119.152 120.200 -0.161 0.000 2.058 515 E HA -0.281 4.067 4.350 -0.002 0.000 0.194 515 E C 2.245 178.476 176.600 -0.615 0.000 0.997 515 E CA 1.610 57.739 56.400 -0.452 0.000 0.801 515 E CB -0.113 29.429 29.700 -0.263 0.000 0.746 515 E HN 0.607 nan 8.360 nan 0.000 0.450 516 Q N 0.228 119.886 119.800 -0.237 0.000 2.119 516 Q HA -0.166 4.173 4.340 -0.002 0.000 0.201 516 Q C 2.206 178.172 176.000 -0.057 0.000 0.972 516 Q CA 1.193 56.962 55.803 -0.056 0.000 0.847 516 Q CB -0.425 28.337 28.738 0.039 0.000 0.903 516 Q HN 0.104 nan 8.270 nan 0.000 0.433 517 R N 1.060 121.513 120.500 -0.078 0.000 2.096 517 R HA -0.024 4.315 4.340 -0.002 0.000 0.235 517 R C 2.112 178.386 176.300 -0.042 0.000 1.127 517 R CA 1.076 57.160 56.100 -0.028 0.000 0.968 517 R CB -0.614 29.681 30.300 -0.009 0.000 0.861 517 R HN 0.272 nan 8.270 nan 0.000 0.440 518 I N -0.336 120.133 120.570 -0.168 0.000 2.179 518 I HA -0.300 3.869 4.170 -0.002 0.000 0.242 518 I C 1.633 177.748 176.117 -0.003 0.000 1.088 518 I CA 1.292 62.500 61.300 -0.154 0.000 1.357 518 I CB -0.403 37.368 38.000 -0.382 0.000 1.051 518 I HN 0.152 nan 8.210 nan 0.000 0.409 519 Y N 0.839 121.143 120.300 0.007 0.000 2.224 519 Y HA -0.240 4.309 4.550 -0.002 0.000 0.289 519 Y C 2.559 178.499 175.900 0.067 0.000 1.146 519 Y CA 1.144 59.281 58.100 0.063 0.000 1.182 519 Y CB -0.916 37.542 38.460 -0.002 0.000 0.983 519 Y HN 0.277 nan 8.280 nan 0.000 0.524 520 E N 0.417 120.729 120.200 0.185 0.000 2.031 520 E HA -0.176 4.173 4.350 -0.002 0.000 0.193 520 E C 1.958 178.627 176.600 0.114 0.000 0.994 520 E CA 1.250 57.724 56.400 0.124 0.000 0.800 520 E CB -0.328 29.422 29.700 0.083 0.000 0.752 520 E HN 0.424 nan 8.360 nan 0.000 0.447 521 L N 0.094 121.386 121.223 0.115 0.000 2.275 521 L HA -0.076 4.263 4.340 -0.002 0.000 0.215 521 L C 2.331 179.274 176.870 0.122 0.000 1.119 521 L CA 0.773 55.703 54.840 0.148 0.000 0.790 521 L CB -0.190 41.976 42.059 0.177 0.000 0.919 521 L HN 0.214 nan 8.230 nan 0.000 0.443 522 A N -0.767 122.118 122.820 0.109 0.000 2.147 522 A HA 0.333 4.652 4.320 -0.002 0.000 0.211 522 A C 1.831 179.444 177.584 0.049 0.000 1.160 522 A CA 0.715 52.780 52.037 0.046 0.000 0.781 522 A CB -0.065 19.015 19.000 0.134 0.000 0.842 522 A HN 0.441 nan 8.150 nan 0.000 0.475 523 G N -0.823 108.033 108.800 0.093 0.000 2.148 523 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.254 523 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.254 523 G C -0.031 174.907 174.900 0.062 0.000 0.981 523 G CA 0.862 46.001 45.100 0.065 0.000 0.670 523 G HN 1.558 nan 8.290 nan 0.000 0.528 524 Q N -1.766 118.103 119.800 0.113 0.000 2.829 524 Q HA 0.579 4.918 4.340 -0.002 0.000 0.296 524 Q C -1.479 174.619 176.000 0.164 0.000 0.893 524 Q CA -1.062 54.791 55.803 0.083 0.000 0.772 524 Q CB 0.687 29.451 28.738 0.043 0.000 1.489 524 Q HN 0.278 nan 8.270 nan 0.000 0.420 525 E N 0.860 121.019 120.200 -0.069 0.000 2.204 525 E HA 0.668 5.017 4.350 -0.002 0.000 0.276 525 E C -0.982 175.645 176.600 0.044 0.000 0.974 525 E CA -0.498 55.638 56.400 -0.440 0.000 0.815 525 E CB 1.155 30.291 29.700 -0.940 0.000 1.119 525 E HN 0.444 nan 8.360 nan 0.000 0.393 526 F N -0.813 119.109 119.950 -0.046 0.000 2.779 526 F HA 0.384 4.910 4.527 -0.002 0.000 0.316 526 F C -0.930 174.938 175.800 0.113 0.000 1.164 526 F CA -1.500 56.519 58.000 0.031 0.000 0.924 526 F CB 0.765 39.788 39.000 0.038 0.000 1.348 526 F HN 0.147 nan 8.300 nan 0.000 0.467 527 N N 1.779 120.532 118.700 0.088 0.000 2.439 527 N HA 0.271 5.010 4.740 -0.002 0.000 0.243 527 N C 0.780 176.271 175.510 -0.031 0.000 1.088 527 N CA -0.050 52.993 53.050 -0.011 0.000 0.940 527 N CB 0.584 39.111 38.487 0.068 0.000 1.180 527 N HN 0.800 nan 8.380 nan 0.000 0.505 528 I N 2.506 122.894 120.570 -0.303 0.000 2.286 528 I HA -0.246 3.922 4.170 -0.002 0.000 0.248 528 I C 1.663 177.819 176.117 0.064 0.000 1.115 528 I CA 0.856 62.024 61.300 -0.220 0.000 1.392 528 I CB -0.156 37.465 38.000 -0.632 0.000 1.065 528 I HN 0.552 nan 8.210 nan 0.000 0.418 529 N N 0.268 119.031 118.700 0.106 0.000 2.609 529 N HA -0.076 4.663 4.740 -0.002 0.000 0.190 529 N C 0.576 176.157 175.510 0.118 0.000 1.157 529 N CA 0.105 53.241 53.050 0.144 0.000 0.918 529 N CB 0.119 38.682 38.487 0.127 0.000 0.978 529 N HN 0.105 nan 8.380 nan 0.000 0.448 530 S N 0.880 116.657 115.700 0.128 0.000 2.474 530 S HA 0.296 4.765 4.470 -0.002 0.000 0.320 530 S C -1.853 172.839 174.600 0.154 0.000 1.067 530 S CA -1.976 56.301 58.200 0.129 0.000 1.127 530 S CB 1.295 64.573 63.200 0.130 0.000 0.971 530 S HN -0.060 nan 8.310 nan 0.000 0.472 531 P HA -0.115 nan 4.420 nan 0.000 0.217 531 P C 1.313 178.717 177.300 0.174 0.000 1.148 531 P CA 0.778 63.973 63.100 0.158 0.000 0.828 531 P CB 0.228 32.010 31.700 0.136 0.000 0.783 532 K N 0.295 120.780 120.400 0.142 0.000 1.985 532 K HA -0.167 4.151 4.320 -0.002 0.000 0.210 532 K C 2.162 178.851 176.600 0.148 0.000 1.047 532 K CA 1.770 58.137 56.287 0.135 0.000 0.932 532 K CB -0.865 31.691 32.500 0.093 0.000 0.716 532 K HN 0.100 nan 8.250 nan 0.000 0.439 533 Q N -0.116 119.772 119.800 0.146 0.000 2.119 533 Q HA -0.074 4.264 4.340 -0.002 0.000 0.201 533 Q C 2.166 178.222 176.000 0.092 0.000 0.972 533 Q CA 1.174 57.061 55.803 0.141 0.000 0.847 533 Q CB -0.113 28.759 28.738 0.223 0.000 0.903 533 Q HN 0.329 nan 8.270 nan 0.000 0.433 534 L N 0.157 121.483 121.223 0.173 0.000 2.046 534 L HA -0.128 4.210 4.340 -0.002 0.000 0.208 534 L C 2.174 179.017 176.870 -0.046 0.000 1.077 534 L CA 1.425 56.330 54.840 0.109 0.000 0.747 534 L CB -0.672 41.504 42.059 0.195 0.000 0.896 534 L HN 0.322 nan 8.230 nan 0.000 0.432 535 G N -0.814 108.056 108.800 0.117 0.000 2.440 535 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.218 535 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.218 535 G C 1.538 176.466 174.900 0.047 0.000 1.154 535 G CA 0.979 46.222 45.100 0.238 0.000 0.767 535 G HN 0.302 nan 8.290 nan 0.000 0.552 536 V N 1.517 121.480 119.914 0.081 0.000 2.332 536 V HA -0.170 3.949 4.120 -0.002 0.000 0.248 536 V C 2.813 178.796 176.094 -0.186 0.000 1.055 536 V CA 1.257 63.562 62.300 0.009 0.000 1.038 536 V CB -0.350 31.481 31.823 0.014 0.000 0.651 536 V HN 0.287 nan 8.190 nan 0.000 0.450 537 I N -0.398 119.972 120.570 -0.333 0.000 2.179 537 I HA -0.209 3.959 4.170 -0.002 0.000 0.242 537 I C 2.328 178.169 176.117 -0.460 0.000 1.088 537 I CA 1.882 62.895 61.300 -0.477 0.000 1.357 537 I CB -0.981 36.510 38.000 -0.848 0.000 1.051 537 I HN 0.284 nan 8.210 nan 0.000 0.409 538 L N -0.774 120.106 121.223 -0.572 0.000 2.044 538 L HA -0.134 4.205 4.340 -0.002 0.000 0.205 538 L C 2.231 178.603 176.870 -0.830 0.000 1.075 538 L CA 1.277 55.642 54.840 -0.792 0.000 0.747 538 L CB -0.584 40.776 42.059 -1.163 0.000 0.903 538 L HN 0.080 nan 8.230 nan 0.000 0.435 539 F N -0.759 118.951 119.950 -0.400 0.000 2.776 539 F HA 0.101 4.627 4.527 -0.002 0.000 0.300 539 F C 2.055 177.646 175.800 -0.349 0.000 1.116 539 F CA 0.140 57.847 58.000 -0.488 0.000 1.375 539 F CB -0.091 38.318 39.000 -0.985 0.000 1.109 539 F HN 0.039 nan 8.300 nan 0.000 0.585 540 E N -0.126 119.980 120.200 -0.157 0.000 2.419 540 E HA 0.019 4.367 4.350 -0.002 0.000 0.197 540 E C 1.846 178.390 176.600 -0.093 0.000 0.920 540 E CA -0.034 56.323 56.400 -0.072 0.000 1.085 540 E CB 0.150 29.842 29.700 -0.013 0.000 1.084 540 E HN 0.089 nan 8.360 nan 0.000 0.490 541 K N 1.085 121.402 120.400 -0.138 0.000 2.057 541 K HA -0.013 4.305 4.320 -0.002 0.000 0.206 541 K C 1.779 178.301 176.600 -0.130 0.000 1.050 541 K CA 0.958 57.167 56.287 -0.129 0.000 0.935 541 K CB 0.156 32.557 32.500 -0.165 0.000 0.715 541 K HN 0.051 nan 8.250 nan 0.000 0.439 542 L N 0.588 121.697 121.223 -0.190 0.000 2.607 542 L HA 0.088 4.427 4.340 -0.002 0.000 0.228 542 L C 0.162 176.962 176.870 -0.117 0.000 1.123 542 L CA -0.055 54.684 54.840 -0.168 0.000 0.890 542 L CB 0.282 42.158 42.059 -0.306 0.000 1.103 542 L HN 0.242 nan 8.230 nan 0.000 0.468 543 Q N 0.160 119.889 119.800 -0.118 0.000 2.468 543 Q HA -0.197 4.142 4.340 -0.002 0.000 0.256 543 Q C 0.039 175.986 176.000 -0.088 0.000 0.984 543 Q CA 0.859 56.616 55.803 -0.076 0.000 1.110 543 Q CB -2.091 26.621 28.738 -0.042 0.000 1.527 543 Q HN 0.494 nan 8.270 nan 0.000 0.535 544 L N 2.163 123.309 121.223 -0.130 0.000 2.483 544 L HA 0.146 4.484 4.340 -0.002 0.000 0.276 544 L C -1.219 175.643 176.870 -0.012 0.000 1.213 544 L CA -1.242 53.512 54.840 -0.143 0.000 0.843 544 L CB -0.227 41.715 42.059 -0.195 0.000 1.107 544 L HN -0.092 nan 8.230 nan 0.000 0.487 545 P HA 0.030 nan 4.420 nan 0.000 0.271 545 P C -0.693 176.590 177.300 -0.028 0.000 1.216 545 P CA -0.228 62.806 63.100 -0.110 0.000 0.776 545 P CB 0.958 32.523 31.700 -0.225 0.000 0.881 546 V N 5.265 125.102 119.914 -0.129 0.000 2.339 546 V HA 0.066 4.185 4.120 -0.002 0.000 0.261 546 V C 1.660 177.664 176.094 -0.150 0.000 1.058 546 V CA 0.113 62.231 62.300 -0.303 0.000 0.897 546 V CB 0.118 31.760 31.823 -0.301 0.000 1.052 546 V HN 0.474 nan 8.190 nan 0.000 0.480 547 L N 3.340 124.499 121.223 -0.106 0.000 2.477 547 L HA 0.340 4.679 4.340 -0.002 0.000 0.220 547 L C 0.903 177.755 176.870 -0.031 0.000 1.106 547 L CA 0.600 55.420 54.840 -0.033 0.000 0.851 547 L CB 0.066 42.136 42.059 0.020 0.000 0.994 547 L HN 0.553 nan 8.230 nan 0.000 0.462 548 K N 0.433 120.793 120.400 -0.065 0.000 2.572 548 K HA 0.388 4.707 4.320 -0.002 0.000 0.263 548 K C -1.452 175.114 176.600 -0.058 0.000 0.932 548 K CA -0.614 55.653 56.287 -0.034 0.000 0.838 548 K CB 2.091 34.595 32.500 0.006 0.000 1.366 548 K HN -0.193 nan 8.250 nan 0.000 0.425 549 K N 0.814 121.193 120.400 -0.034 0.000 2.306 549 K HA 0.493 4.812 4.320 -0.002 0.000 0.236 549 K C -0.566 176.027 176.600 -0.011 0.000 1.013 549 K CA -0.920 55.346 56.287 -0.035 0.000 0.857 549 K CB 1.946 34.415 32.500 -0.052 0.000 1.214 549 K HN 0.773 nan 8.250 nan 0.000 0.449 550 T N -2.319 112.224 114.554 -0.017 0.000 2.926 550 T HA 0.300 4.648 4.350 -0.002 0.000 0.289 550 T C 0.854 175.540 174.700 -0.023 0.000 1.054 550 T CA -0.955 61.144 62.100 -0.003 0.000 1.015 550 T CB 1.339 70.216 68.868 0.016 0.000 1.167 550 T HN 0.284 nan 8.240 nan 0.000 0.526 551 K N 0.634 121.027 120.400 -0.012 0.000 2.113 551 K HA -0.097 4.222 4.320 -0.002 0.000 0.208 551 K C 2.164 178.743 176.600 -0.035 0.000 1.047 551 K CA 1.852 58.127 56.287 -0.020 0.000 0.928 551 K CB -0.998 31.497 32.500 -0.009 0.000 0.716 551 K HN 0.738 nan 8.250 nan 0.000 0.446 552 T N -0.568 113.966 114.554 -0.034 0.000 2.976 552 T HA 0.095 4.444 4.350 -0.002 0.000 0.257 552 T C 1.184 175.826 174.700 -0.097 0.000 1.051 552 T CA 1.116 63.187 62.100 -0.047 0.000 1.141 552 T CB 0.321 69.177 68.868 -0.021 0.000 0.881 552 T HN 0.470 nan 8.240 nan 0.000 0.461 553 G N -0.691 108.039 108.800 -0.116 0.000 2.818 553 G HA2 0.414 4.372 3.960 -0.002 0.000 0.109 553 G HA3 0.414 4.372 3.960 -0.002 0.000 0.109 553 G C -1.615 173.153 174.900 -0.219 0.000 1.206 553 G CA -0.923 44.020 45.100 -0.261 0.000 1.243 553 G HN 0.272 nan 8.290 nan 0.000 0.609 554 Y N 1.051 121.336 120.300 -0.024 0.000 2.309 554 Y HA 0.581 5.130 4.550 -0.002 0.000 0.327 554 Y C 1.058 176.956 175.900 -0.003 0.000 1.172 554 Y CA -0.054 57.980 58.100 -0.109 0.000 1.280 554 Y CB 1.665 40.070 38.460 -0.092 0.000 1.234 554 Y HN 0.348 nan 8.280 nan 0.000 0.512 555 S N 0.878 116.644 115.700 0.110 0.000 2.562 555 S HA 0.265 4.734 4.470 -0.002 0.000 0.275 555 S C 0.536 175.285 174.600 0.247 0.000 1.281 555 S CA -0.164 58.117 58.200 0.135 0.000 1.045 555 S CB 0.319 63.562 63.200 0.072 0.000 0.962 555 S HN 0.833 nan 8.310 nan 0.000 0.503 556 T N 0.511 115.201 114.554 0.226 0.000 3.337 556 T HA 0.291 4.639 4.350 -0.002 0.000 0.299 556 T C 0.397 175.194 174.700 0.163 0.000 0.998 556 T CA -0.366 61.875 62.100 0.235 0.000 0.948 556 T CB -0.014 68.986 68.868 0.220 0.000 1.170 556 T HN 0.476 nan 8.240 nan 0.000 0.508 557 S N 0.642 116.425 115.700 0.138 0.000 2.573 557 S HA 0.517 4.985 4.470 -0.002 0.000 0.277 557 S C 1.954 176.618 174.600 0.107 0.000 1.346 557 S CA 0.159 58.425 58.200 0.110 0.000 1.034 557 S CB 0.461 63.717 63.200 0.092 0.000 0.879 557 S HN 0.637 nan 8.310 nan 0.000 0.528 558 A N 3.499 126.375 122.820 0.095 0.000 1.917 558 A HA -0.202 4.116 4.320 -0.002 0.000 0.219 558 A C 1.649 179.282 177.584 0.083 0.000 1.182 558 A CA 2.502 54.592 52.037 0.088 0.000 0.633 558 A CB -1.464 17.584 19.000 0.079 0.000 0.819 558 A HN 1.044 nan 8.150 nan 0.000 0.448 559 D N -0.498 119.948 120.400 0.076 0.000 2.123 559 D HA -0.139 4.500 4.640 -0.002 0.000 0.196 559 D C 1.484 177.831 176.300 0.078 0.000 0.992 559 D CA 1.649 55.690 54.000 0.068 0.000 0.833 559 D CB -0.579 40.257 40.800 0.059 0.000 0.954 559 D HN 0.218 nan 8.370 nan 0.000 0.455 560 V N 0.482 120.452 119.914 0.093 0.000 2.323 560 V HA -0.156 3.963 4.120 -0.002 0.000 0.244 560 V C 2.675 178.847 176.094 0.130 0.000 1.041 560 V CA 1.185 63.552 62.300 0.111 0.000 1.025 560 V CB -0.643 31.258 31.823 0.130 0.000 0.656 560 V HN 0.297 nan 8.190 nan 0.000 0.451 561 L N -0.155 121.145 121.223 0.128 0.000 2.043 561 L HA -0.264 4.075 4.340 -0.002 0.000 0.212 561 L C 2.598 179.532 176.870 0.107 0.000 1.075 561 L CA 1.933 56.844 54.840 0.119 0.000 0.752 561 L CB -0.801 41.320 42.059 0.103 0.000 0.891 561 L HN 0.411 nan 8.230 nan 0.000 0.432 562 E N 0.274 120.529 120.200 0.091 0.000 2.097 562 E HA -0.269 4.080 4.350 -0.002 0.000 0.196 562 E C 2.158 178.809 176.600 0.085 0.000 1.000 562 E CA 1.445 57.891 56.400 0.076 0.000 0.804 562 E CB -0.065 29.671 29.700 0.061 0.000 0.740 562 E HN 0.451 nan 8.360 nan 0.000 0.454 563 K N 0.194 120.655 120.400 0.103 0.000 2.211 563 K HA -0.051 4.268 4.320 -0.002 0.000 0.203 563 K C 1.887 178.609 176.600 0.202 0.000 1.050 563 K CA 0.667 57.030 56.287 0.126 0.000 0.945 563 K CB 0.093 32.667 32.500 0.124 0.000 0.732 563 K HN 0.167 nan 8.250 nan 0.000 0.451 564 L N -0.118 121.233 121.223 0.214 0.000 2.529 564 L HA 0.102 4.441 4.340 -0.002 0.000 0.223 564 L C 2.312 179.349 176.870 0.278 0.000 1.113 564 L CA -0.043 54.989 54.840 0.319 0.000 0.861 564 L CB -0.338 41.841 42.059 0.200 0.000 1.012 564 L HN 0.085 nan 8.230 nan 0.000 0.461 565 A N 1.531 124.443 122.820 0.153 0.000 1.927 565 A HA -0.162 4.156 4.320 -0.002 0.000 0.220 565 A C -0.005 177.615 177.584 0.060 0.000 1.185 565 A CA 1.820 53.916 52.037 0.098 0.000 0.639 565 A CB -1.719 17.316 19.000 0.058 0.000 0.820 565 A HN 0.282 nan 8.150 nan 0.000 0.451 566 P HA -0.136 nan 4.420 nan 0.000 0.219 566 P C 0.686 177.870 177.300 -0.192 0.000 1.146 566 P CA 1.077 64.080 63.100 -0.162 0.000 0.808 566 P CB -0.162 31.355 31.700 -0.304 0.000 0.779 567 Y N -3.116 117.208 120.300 0.040 0.000 2.337 567 Y HA 0.031 4.579 4.550 -0.002 0.000 0.293 567 Y C 1.512 177.463 175.900 0.084 0.000 1.123 567 Y CA 0.895 59.026 58.100 0.052 0.000 1.201 567 Y CB 0.008 38.505 38.460 0.062 0.000 1.011 567 Y HN 0.024 nan 8.280 nan 0.000 0.545 568 H N -0.681 118.465 119.070 0.127 0.000 3.086 568 H HA 0.111 4.666 4.556 -0.002 0.000 0.353 568 H C 0.165 175.513 175.328 0.034 0.000 1.134 568 H CA -0.601 55.483 56.048 0.060 0.000 1.248 568 H CB 1.765 31.550 29.762 0.038 0.000 1.878 568 H HN 0.197 nan 8.280 nan 0.000 0.527 569 E N 3.861 124.100 120.200 0.064 0.000 2.267 569 E HA -0.115 4.234 4.350 -0.002 0.000 0.197 569 E C 1.731 178.459 176.600 0.212 0.000 0.998 569 E CA 0.941 57.403 56.400 0.104 0.000 0.830 569 E CB 0.228 29.927 29.700 -0.002 0.000 0.751 569 E HN 0.636 nan 8.360 nan 0.000 0.491 570 I N 0.003 120.831 120.570 0.429 0.000 2.361 570 I HA -0.251 3.917 4.170 -0.002 0.000 0.251 570 I C 1.869 178.039 176.117 0.088 0.000 1.133 570 I CA 0.702 62.103 61.300 0.168 0.000 1.413 570 I CB 0.111 38.091 38.000 -0.033 0.000 1.073 570 I HN 0.048 nan 8.210 nan 0.000 0.424 571 V N 0.993 120.965 119.914 0.097 0.000 2.287 571 V HA -0.339 3.780 4.120 -0.002 0.000 0.248 571 V C 2.427 178.569 176.094 0.080 0.000 1.053 571 V CA 2.396 64.738 62.300 0.069 0.000 1.027 571 V CB -0.883 30.991 31.823 0.086 0.000 0.646 571 V HN 0.562 nan 8.190 nan 0.000 0.447 572 E N 0.700 120.950 120.200 0.083 0.000 2.085 572 E HA -0.276 4.072 4.350 -0.002 0.000 0.194 572 E C 1.942 178.601 176.600 0.099 0.000 0.994 572 E CA 1.952 58.395 56.400 0.071 0.000 0.801 572 E CB -0.161 29.567 29.700 0.047 0.000 0.743 572 E HN 0.730 nan 8.360 nan 0.000 0.453 573 N N 0.228 118.989 118.700 0.101 0.000 2.309 573 N HA -0.110 4.629 4.740 -0.002 0.000 0.182 573 N C 1.575 177.165 175.510 0.133 0.000 1.018 573 N CA 0.979 54.104 53.050 0.124 0.000 0.876 573 N CB 0.031 38.561 38.487 0.073 0.000 0.972 573 N HN 0.228 nan 8.380 nan 0.000 0.434 574 I N 0.499 121.130 120.570 0.101 0.000 2.315 574 I HA -0.141 4.028 4.170 -0.002 0.000 0.248 574 I C 1.916 178.136 176.117 0.172 0.000 1.117 574 I CA 0.960 62.327 61.300 0.113 0.000 1.404 574 I CB -1.004 37.044 38.000 0.079 0.000 1.071 574 I HN 0.199 nan 8.210 nan 0.000 0.419 575 L N -0.385 120.926 121.223 0.147 0.000 2.056 575 L HA -0.241 4.097 4.340 -0.002 0.000 0.207 575 L C 2.713 179.696 176.870 0.189 0.000 1.078 575 L CA 1.373 56.299 54.840 0.143 0.000 0.749 575 L CB -0.767 41.356 42.059 0.106 0.000 0.901 575 L HN 0.338 nan 8.230 nan 0.000 0.433 576 H N -1.392 117.724 119.070 0.076 0.000 2.357 576 H HA -0.261 4.294 4.556 -0.002 0.000 0.301 576 H C 2.314 177.684 175.328 0.070 0.000 1.082 576 H CA 1.704 57.787 56.048 0.059 0.000 1.342 576 H CB 0.120 29.914 29.762 0.052 0.000 1.389 576 H HN 0.279 nan 8.280 nan 0.000 0.511 577 Y N 1.585 121.885 120.300 -0.001 0.000 2.165 577 Y HA -0.220 4.329 4.550 -0.002 0.000 0.286 577 Y C 2.543 178.417 175.900 -0.042 0.000 1.155 577 Y CA 1.415 59.460 58.100 -0.092 0.000 1.164 577 Y CB -0.134 38.272 38.460 -0.090 0.000 0.978 577 Y HN 0.056 nan 8.280 nan 0.000 0.513 578 R N 0.293 120.841 120.500 0.081 0.000 2.096 578 R HA -0.210 4.128 4.340 -0.002 0.000 0.235 578 R C 2.297 178.578 176.300 -0.032 0.000 1.127 578 R CA 1.724 57.835 56.100 0.019 0.000 0.968 578 R CB -0.683 29.680 30.300 0.105 0.000 0.861 578 R HN 0.573 nan 8.270 nan 0.000 0.440 579 Q N 0.628 120.436 119.800 0.013 0.000 2.016 579 Q HA -0.098 4.241 4.340 -0.002 0.000 0.200 579 Q C 2.244 178.225 176.000 -0.032 0.000 0.978 579 Q CA 1.234 57.054 55.803 0.029 0.000 0.833 579 Q CB -0.007 28.797 28.738 0.110 0.000 0.895 579 Q HN 0.270 nan 8.270 nan 0.000 0.427 580 L N -0.323 120.831 121.223 -0.115 0.000 2.027 580 L HA -0.077 4.261 4.340 -0.002 0.000 0.206 580 L C 2.528 179.280 176.870 -0.197 0.000 1.074 580 L CA 1.097 55.839 54.840 -0.165 0.000 0.745 580 L CB -0.913 40.986 42.059 -0.268 0.000 0.898 580 L HN 0.407 nan 8.230 nan 0.000 0.433 581 G N 0.210 108.801 108.800 -0.348 0.000 2.442 581 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.219 581 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.219 581 G C 1.665 176.470 174.900 -0.158 0.000 1.141 581 G CA 1.033 45.923 45.100 -0.349 0.000 0.763 581 G HN 0.206 nan 8.290 nan 0.000 0.554 582 K N 0.389 120.736 120.400 -0.088 0.000 2.057 582 K HA 0.101 4.420 4.320 -0.002 0.000 0.206 582 K C 2.432 179.082 176.600 0.083 0.000 1.050 582 K CA 0.888 57.179 56.287 0.006 0.000 0.935 582 K CB -0.510 32.029 32.500 0.065 0.000 0.715 582 K HN 0.352 nan 8.250 nan 0.000 0.439 583 L N 0.223 121.507 121.223 0.101 0.000 2.056 583 L HA -0.160 4.178 4.340 -0.002 0.000 0.207 583 L C 2.669 179.599 176.870 0.099 0.000 1.078 583 L CA 1.362 56.310 54.840 0.181 0.000 0.749 583 L CB -0.534 41.573 42.059 0.079 0.000 0.901 583 L HN 0.304 nan 8.230 nan 0.000 0.433 584 Q N 0.266 120.067 119.800 0.002 0.000 1.967 584 Q HA -0.168 4.171 4.340 -0.002 0.000 0.202 584 Q C 2.314 178.296 176.000 -0.029 0.000 0.985 584 Q CA 2.554 58.343 55.803 -0.024 0.000 0.839 584 Q CB -0.255 28.442 28.738 -0.069 0.000 0.906 584 Q HN 0.317 nan 8.270 nan 0.000 0.423 585 S N -0.635 115.032 115.700 -0.054 0.000 2.368 585 S HA -0.114 4.355 4.470 -0.002 0.000 0.225 585 S C 1.968 176.510 174.600 -0.097 0.000 1.030 585 S CA 1.585 59.747 58.200 -0.065 0.000 0.999 585 S CB -0.521 62.639 63.200 -0.067 0.000 0.844 585 S HN 0.509 nan 8.310 nan 0.000 0.459 586 T N 0.377 114.840 114.554 -0.151 0.000 2.901 586 T HA 0.094 4.443 4.350 -0.002 0.000 0.252 586 T C 1.281 175.720 174.700 -0.435 0.000 1.035 586 T CA 0.857 62.749 62.100 -0.347 0.000 1.142 586 T CB -0.279 68.251 68.868 -0.563 0.000 0.869 586 T HN 0.461 nan 8.240 nan 0.000 0.442 587 Y N 0.005 120.314 120.300 0.014 0.000 2.497 587 Y HA 0.298 4.847 4.550 -0.002 0.000 0.265 587 Y C 1.911 177.827 175.900 0.026 0.000 1.111 587 Y CA -0.221 57.901 58.100 0.037 0.000 1.288 587 Y CB 0.190 38.675 38.460 0.043 0.000 1.082 587 Y HN 0.130 nan 8.280 nan 0.000 0.536 588 I N -0.134 120.499 120.570 0.104 0.000 2.834 588 I HA -0.050 4.119 4.170 -0.002 0.000 0.239 588 I C 1.875 177.999 176.117 0.011 0.000 1.073 588 I CA 0.949 62.280 61.300 0.051 0.000 1.459 588 I CB -1.059 36.958 38.000 0.027 0.000 1.288 588 I HN 0.170 nan 8.210 nan 0.000 0.455 589 E N 1.238 121.433 120.200 -0.009 0.000 2.072 589 E HA -0.125 4.224 4.350 -0.002 0.000 0.191 589 E C 2.188 178.772 176.600 -0.027 0.000 0.985 589 E CA 1.260 57.647 56.400 -0.021 0.000 0.801 589 E CB -0.346 29.337 29.700 -0.028 0.000 0.750 589 E HN 0.548 nan 8.360 nan 0.000 0.452 590 G N 1.326 110.101 108.800 -0.042 0.000 2.422 590 G HA2 -0.227 3.731 3.960 -0.002 0.000 0.218 590 G HA3 -0.227 3.731 3.960 -0.002 0.000 0.218 590 G C 1.538 176.425 174.900 -0.021 0.000 1.146 590 G CA 0.357 45.427 45.100 -0.051 0.000 0.769 590 G HN 0.082 nan 8.290 nan 0.000 0.547 591 L N 0.294 121.521 121.223 0.008 0.000 2.072 591 L HA 0.266 4.605 4.340 -0.002 0.000 0.205 591 L C 2.690 179.556 176.870 -0.007 0.000 1.079 591 L CA 1.043 55.904 54.840 0.034 0.000 0.752 591 L CB -0.416 41.694 42.059 0.085 0.000 0.906 591 L HN 0.165 nan 8.230 nan 0.000 0.436 592 L N -0.867 120.346 121.223 -0.018 0.000 2.191 592 L HA -0.223 4.115 4.340 -0.002 0.000 0.212 592 L C 2.381 179.235 176.870 -0.026 0.000 1.103 592 L CA 1.076 55.898 54.840 -0.030 0.000 0.769 592 L CB -0.503 41.539 42.059 -0.029 0.000 0.908 592 L HN 0.238 nan 8.230 nan 0.000 0.438 593 K N -0.244 120.143 120.400 -0.022 0.000 2.211 593 K HA -0.090 4.228 4.320 -0.002 0.000 0.203 593 K C 1.649 178.237 176.600 -0.020 0.000 1.050 593 K CA 1.400 57.674 56.287 -0.021 0.000 0.945 593 K CB 0.076 32.563 32.500 -0.022 0.000 0.732 593 K HN 0.354 nan 8.250 nan 0.000 0.451 594 V N -2.331 117.574 119.914 -0.016 0.000 3.578 594 V HA 0.156 4.275 4.120 -0.002 0.000 0.290 594 V C 0.586 176.672 176.094 -0.012 0.000 1.376 594 V CA -0.510 61.782 62.300 -0.013 0.000 1.083 594 V CB 0.120 31.940 31.823 -0.006 0.000 0.911 594 V HN -0.215 nan 8.190 nan 0.000 0.433 595 V N 2.843 122.743 119.914 -0.023 0.000 2.715 595 V HA 0.298 4.417 4.120 -0.002 0.000 0.299 595 V C 0.755 176.843 176.094 -0.010 0.000 1.054 595 V CA -0.329 61.952 62.300 -0.032 0.000 1.077 595 V CB 0.775 32.565 31.823 -0.055 0.000 0.972 595 V HN 0.492 nan 8.190 nan 0.000 0.484 596 R N 5.380 125.889 120.500 0.015 0.000 2.267 596 R HA 0.201 4.540 4.340 -0.002 0.000 0.319 596 R C -1.820 174.490 176.300 0.017 0.000 1.067 596 R CA -1.675 54.448 56.100 0.038 0.000 0.936 596 R CB 0.775 31.147 30.300 0.120 0.000 1.006 596 R HN 0.477 nan 8.270 nan 0.000 0.452 597 P HA -0.215 nan 4.420 nan 0.000 0.216 597 P C 0.779 178.081 177.300 0.004 0.000 1.153 597 P CA 1.379 64.477 63.100 -0.002 0.000 0.858 597 P CB 0.229 31.926 31.700 -0.005 0.000 0.789 598 D N -1.235 119.175 120.400 0.018 0.000 2.103 598 D HA -0.113 4.525 4.640 -0.002 0.000 0.199 598 D C 1.543 177.855 176.300 0.019 0.000 0.978 598 D CA 2.201 56.214 54.000 0.022 0.000 0.829 598 D CB -1.523 39.300 40.800 0.038 0.000 0.981 598 D HN 0.243 nan 8.370 nan 0.000 0.464 599 T N -3.522 111.052 114.554 0.033 0.000 3.022 599 T HA 0.196 4.544 4.350 -0.002 0.000 0.250 599 T C 0.805 175.496 174.700 -0.016 0.000 1.060 599 T CA -0.170 61.938 62.100 0.014 0.000 1.013 599 T CB -0.028 68.868 68.868 0.046 0.000 0.982 599 T HN 0.142 nan 8.240 nan 0.000 0.508 600 K N 0.790 121.181 120.400 -0.016 0.000 3.129 600 K HA -0.147 4.171 4.320 -0.002 0.000 0.273 600 K C -0.528 176.026 176.600 -0.077 0.000 1.123 600 K CA 0.615 56.874 56.287 -0.046 0.000 0.800 600 K CB -1.242 31.227 32.500 -0.053 0.000 1.238 600 K HN 0.530 nan 8.250 nan 0.000 0.492 601 K N 0.360 120.714 120.400 -0.077 0.000 2.221 601 K HA 0.550 4.869 4.320 -0.002 0.000 0.243 601 K C -0.098 176.373 176.600 -0.215 0.000 0.968 601 K CA -0.870 55.308 56.287 -0.181 0.000 0.846 601 K CB 2.180 34.509 32.500 -0.284 0.000 1.141 601 K HN 0.040 nan 8.250 nan 0.000 0.434 602 V N -0.943 118.805 119.914 -0.277 0.000 2.513 602 V HA 0.432 4.551 4.120 -0.002 0.000 0.299 602 V C -0.652 175.210 176.094 -0.386 0.000 1.035 602 V CA -0.688 61.495 62.300 -0.195 0.000 0.889 602 V CB 1.469 33.269 31.823 -0.037 0.000 0.988 602 V HN 0.717 nan 8.190 nan 0.000 0.440 603 H N 2.507 121.495 119.070 -0.137 0.000 2.697 603 H HA 0.379 4.934 4.556 -0.002 0.000 0.270 603 H C 0.359 175.568 175.328 -0.199 0.000 1.188 603 H CA -0.160 55.721 56.048 -0.279 0.000 1.322 603 H CB 1.584 30.920 29.762 -0.710 0.000 1.405 603 H HN 0.880 nan 8.280 nan 0.000 0.502 604 T N 2.456 116.976 114.554 -0.056 0.000 2.748 604 T HA 0.325 4.674 4.350 -0.002 0.000 0.304 604 T C 0.567 175.230 174.700 -0.062 0.000 1.041 604 T CA -0.236 61.786 62.100 -0.130 0.000 1.033 604 T CB 0.317 68.973 68.868 -0.353 0.000 0.995 604 T HN 0.422 nan 8.240 nan 0.000 0.536 605 I N 2.620 123.089 120.570 -0.168 0.000 2.447 605 I HA 0.318 4.487 4.170 -0.002 0.000 0.287 605 I C -0.946 175.080 176.117 -0.151 0.000 1.023 605 I CA -0.709 60.538 61.300 -0.088 0.000 1.083 605 I CB 1.451 39.355 38.000 -0.159 0.000 1.245 605 I HN 0.566 nan 8.210 nan 0.000 0.434 606 F N 4.914 124.939 119.950 0.125 0.000 2.421 606 F HA 0.224 4.749 4.527 -0.003 0.000 0.358 606 F C 0.952 176.790 175.800 0.063 0.000 1.115 606 F CA -0.368 57.684 58.000 0.086 0.000 1.160 606 F CB 0.440 39.489 39.000 0.081 0.000 1.123 606 F HN 0.437 nan 8.300 nan 0.000 0.508 607 N N 3.955 122.771 118.700 0.193 0.000 2.402 607 N HA -0.018 4.720 4.740 -0.002 0.000 0.252 607 N C 0.658 176.189 175.510 0.035 0.000 1.118 607 N CA 0.269 53.373 53.050 0.090 0.000 0.945 607 N CB 0.844 39.363 38.487 0.054 0.000 1.147 607 N HN 0.759 nan 8.380 nan 0.000 0.495 608 Q N 2.738 122.517 119.800 -0.035 0.000 2.451 608 Q HA 0.147 4.486 4.340 -0.002 0.000 0.206 608 Q C -0.205 175.504 176.000 -0.485 0.000 0.947 608 Q CA 0.315 56.036 55.803 -0.135 0.000 0.937 608 Q CB 0.325 29.010 28.738 -0.089 0.000 1.025 608 Q HN 0.617 nan 8.270 nan 0.000 0.511 609 A N 0.465 122.933 122.820 -0.586 0.000 3.105 609 A HA 0.325 4.644 4.320 -0.002 0.000 0.297 609 A C -0.016 177.195 177.584 -0.623 0.000 0.977 609 A CA -0.309 51.012 52.037 -1.195 0.000 1.020 609 A CB 0.296 18.900 19.000 -0.659 0.000 1.098 609 A HN 0.392 nan 8.150 nan 0.000 0.497 610 L N -0.200 120.816 121.223 -0.345 0.000 2.691 610 L HA 0.309 4.648 4.340 -0.002 0.000 0.185 610 L C 1.208 178.192 176.870 0.190 0.000 1.081 610 L CA 1.596 56.444 54.840 0.013 0.000 0.865 610 L CB 0.173 42.247 42.059 0.025 0.000 1.370 610 L HN 0.340 nan 8.230 nan 0.000 0.488 611 T N -1.196 113.476 114.554 0.197 0.000 2.932 611 T HA 0.041 4.389 4.350 -0.002 0.000 0.312 611 T C 0.742 175.599 174.700 0.261 0.000 1.071 611 T CA -0.279 61.945 62.100 0.208 0.000 1.128 611 T CB 0.630 69.594 68.868 0.160 0.000 0.984 611 T HN 0.346 nan 8.240 nan 0.000 0.549 612 Q N 1.710 121.606 119.800 0.160 0.000 2.472 612 Q HA 0.024 4.363 4.340 -0.002 0.000 0.208 612 Q C 2.099 178.133 176.000 0.057 0.000 0.958 612 Q CA 1.254 57.122 55.803 0.108 0.000 0.932 612 Q CB -0.229 28.566 28.738 0.093 0.000 1.007 612 Q HN 1.040 nan 8.270 nan 0.000 0.508 613 T N -5.030 109.567 114.554 0.072 0.000 3.001 613 T HA 0.394 4.743 4.350 -0.002 0.000 0.251 613 T C 1.319 176.053 174.700 0.058 0.000 1.040 613 T CA 0.630 62.756 62.100 0.042 0.000 0.985 613 T CB 0.765 69.649 68.868 0.027 0.000 1.011 613 T HN 0.297 nan 8.240 nan 0.000 0.509 614 G N 1.401 110.278 108.800 0.128 0.000 2.201 614 G HA2 -0.193 3.765 3.960 -0.002 0.000 0.212 614 G HA3 -0.193 3.765 3.960 -0.002 0.000 0.212 614 G C 0.185 175.187 174.900 0.170 0.000 0.994 614 G CA -0.368 44.830 45.100 0.163 0.000 0.644 614 G HN 0.636 nan 8.290 nan 0.000 0.508 615 R N -0.154 120.433 120.500 0.145 0.000 2.615 615 R HA 0.656 4.994 4.340 -0.002 0.000 0.270 615 R C 0.811 177.220 176.300 0.182 0.000 1.081 615 R CA -0.295 55.896 56.100 0.152 0.000 1.154 615 R CB 0.419 30.780 30.300 0.101 0.000 1.063 615 R HN 0.262 nan 8.270 nan 0.000 0.519 616 L N 0.523 121.870 121.223 0.207 0.000 2.416 616 L HA 0.379 4.718 4.340 -0.002 0.000 0.262 616 L C 0.330 177.361 176.870 0.268 0.000 1.093 616 L CA -0.349 54.606 54.840 0.192 0.000 0.801 616 L CB 1.506 43.653 42.059 0.145 0.000 1.191 616 L HN 0.728 nan 8.230 nan 0.000 0.459 617 S N -0.335 115.513 115.700 0.247 0.000 2.634 617 S HA 0.691 5.160 4.470 -0.002 0.000 0.296 617 S C -0.784 173.949 174.600 0.221 0.000 1.104 617 S CA -0.720 57.620 58.200 0.232 0.000 0.920 617 S CB 2.025 65.320 63.200 0.159 0.000 1.111 617 S HN 0.542 nan 8.310 nan 0.000 0.493 618 S N 0.755 116.537 115.700 0.136 0.000 2.538 618 S HA 0.840 5.308 4.470 -0.002 0.000 0.288 618 S C -0.737 173.850 174.600 -0.023 0.000 1.108 618 S CA -0.206 57.989 58.200 -0.008 0.000 0.971 618 S CB 1.207 64.377 63.200 -0.049 0.000 1.041 618 S HN 1.403 nan 8.310 nan 0.000 0.483 619 T N 0.501 115.009 114.554 -0.077 0.000 2.883 619 T HA 0.599 4.948 4.350 -0.002 0.000 0.301 619 T C -0.876 173.790 174.700 -0.057 0.000 1.158 619 T CA -0.831 61.244 62.100 -0.041 0.000 1.007 619 T CB 1.064 69.919 68.868 -0.023 0.000 1.186 619 T HN 0.718 nan 8.240 nan 0.000 0.499 620 E N 1.260 121.442 120.200 -0.030 0.000 2.197 620 E HA -0.136 4.213 4.350 -0.002 0.000 0.184 620 E C -2.341 174.248 176.600 -0.017 0.000 1.439 620 E CA 0.215 56.601 56.400 -0.023 0.000 0.688 620 E CB -1.062 28.620 29.700 -0.031 0.000 1.090 620 E HN 0.598 nan 8.360 nan 0.000 0.341 621 P HA 0.105 nan 4.420 nan 0.000 0.285 621 P C -0.611 176.696 177.300 0.013 0.000 1.285 621 P CA -0.716 62.398 63.100 0.022 0.000 0.854 621 P CB 0.888 32.636 31.700 0.080 0.000 1.180 622 N N 1.346 120.069 118.700 0.038 0.000 2.402 622 N HA 0.087 4.826 4.740 -0.002 0.000 0.252 622 N C 0.284 175.855 175.510 0.103 0.000 1.118 622 N CA 0.041 53.121 53.050 0.051 0.000 0.945 622 N CB -0.637 37.891 38.487 0.068 0.000 1.147 622 N HN 0.316 nan 8.380 nan 0.000 0.495 623 L N 2.648 123.917 121.223 0.077 0.000 2.685 623 L HA 0.186 4.525 4.340 -0.002 0.000 0.233 623 L C 1.138 178.107 176.870 0.165 0.000 1.173 623 L CA 0.115 55.033 54.840 0.130 0.000 0.961 623 L CB 0.048 42.151 42.059 0.073 0.000 1.217 623 L HN 0.510 nan 8.230 nan 0.000 0.478 624 Q N 0.674 120.551 119.800 0.128 0.000 2.219 624 Q HA 0.097 4.436 4.340 -0.002 0.000 0.209 624 Q C 0.374 176.446 176.000 0.120 0.000 0.854 624 Q CA -0.006 55.854 55.803 0.094 0.000 0.960 624 Q CB 0.451 29.199 28.738 0.017 0.000 1.116 624 Q HN 0.454 nan 8.270 nan 0.000 0.500 625 N N -0.332 118.454 118.700 0.144 0.000 2.466 625 N HA 0.066 4.805 4.740 -0.002 0.000 0.272 625 N C -0.602 174.981 175.510 0.122 0.000 1.455 625 N CA -0.218 52.920 53.050 0.147 0.000 0.875 625 N CB 0.368 38.971 38.487 0.194 0.000 1.372 625 N HN -0.065 nan 8.380 nan 0.000 0.492 626 I N 1.728 122.296 120.570 -0.003 0.000 2.556 626 I HA 0.273 4.441 4.170 -0.002 0.000 0.284 626 I C -1.801 174.096 176.117 -0.368 0.000 1.114 626 I CA -1.862 59.311 61.300 -0.213 0.000 1.418 626 I CB 0.015 37.815 38.000 -0.334 0.000 1.394 626 I HN -0.071 nan 8.210 nan 0.000 0.552 627 P HA 0.103 nan 4.420 nan 0.000 0.266 627 P C 0.608 177.735 177.300 -0.288 0.000 1.186 627 P CA 0.423 63.290 63.100 -0.388 0.000 0.767 627 P CB 1.109 32.534 31.700 -0.460 0.000 0.820 628 I N 0.658 121.111 120.570 -0.194 0.000 5.347 628 I HA 0.061 4.229 4.170 -0.002 0.000 0.346 628 I C 1.721 177.778 176.117 -0.100 0.000 1.177 628 I CA -0.022 61.178 61.300 -0.168 0.000 1.553 628 I CB 0.257 38.135 38.000 -0.203 0.000 1.757 628 I HN 0.080 nan 8.210 nan 0.000 0.603 629 R N 1.116 121.574 120.500 -0.071 0.000 2.083 629 R HA 0.039 4.378 4.340 -0.002 0.000 0.237 629 R C 0.329 176.611 176.300 -0.030 0.000 1.137 629 R CA 1.181 57.260 56.100 -0.035 0.000 0.951 629 R CB -0.176 30.119 30.300 -0.009 0.000 0.851 629 R HN 0.246 nan 8.270 nan 0.000 0.434 630 L N 0.939 122.142 121.223 -0.033 0.000 2.289 630 L HA 0.117 4.456 4.340 -0.002 0.000 0.285 630 L C 1.278 178.136 176.870 -0.021 0.000 1.049 630 L CA -0.502 54.325 54.840 -0.021 0.000 0.804 630 L CB 1.575 43.626 42.059 -0.013 0.000 1.195 630 L HN -0.003 nan 8.230 nan 0.000 0.428 631 E N 1.956 122.153 120.200 -0.004 0.000 2.118 631 E HA -0.232 4.116 4.350 -0.002 0.000 0.195 631 E C 1.493 178.097 176.600 0.007 0.000 0.992 631 E CA 1.733 58.144 56.400 0.018 0.000 0.804 631 E CB 0.295 30.008 29.700 0.022 0.000 0.741 631 E HN 0.648 nan 8.360 nan 0.000 0.458 632 E N -0.636 119.561 120.200 -0.005 0.000 2.038 632 E HA -0.093 4.255 4.350 -0.002 0.000 0.195 632 E C 2.083 178.662 176.600 -0.035 0.000 1.000 632 E CA 1.482 57.875 56.400 -0.012 0.000 0.803 632 E CB -0.889 28.818 29.700 0.011 0.000 0.750 632 E HN 0.398 nan 8.360 nan 0.000 0.448 633 G N 0.229 109.000 108.800 -0.049 0.000 2.464 633 G HA2 -0.254 3.704 3.960 -0.002 0.000 0.217 633 G HA3 -0.254 3.704 3.960 -0.002 0.000 0.217 633 G C 1.545 176.371 174.900 -0.123 0.000 1.138 633 G CA 0.431 45.470 45.100 -0.102 0.000 0.793 633 G HN 0.124 nan 8.290 nan 0.000 0.539 634 R N 0.659 121.115 120.500 -0.072 0.000 2.127 634 R HA -0.035 4.303 4.340 -0.002 0.000 0.238 634 R C 2.243 178.556 176.300 0.021 0.000 1.134 634 R CA 1.289 57.376 56.100 -0.023 0.000 0.975 634 R CB -0.196 30.145 30.300 0.067 0.000 0.865 634 R HN 0.224 nan 8.270 nan 0.000 0.447 635 K N 0.248 120.601 120.400 -0.077 0.000 2.360 635 K HA -0.122 4.197 4.320 -0.002 0.000 0.201 635 K C 1.804 178.310 176.600 -0.157 0.000 1.046 635 K CA 0.722 56.851 56.287 -0.262 0.000 0.940 635 K CB -0.029 32.335 32.500 -0.226 0.000 0.748 635 K HN 0.236 nan 8.250 nan 0.000 0.465 636 I N 1.192 121.719 120.570 -0.070 0.000 2.264 636 I HA -0.271 3.898 4.170 -0.002 0.000 0.248 636 I C 1.885 178.085 176.117 0.140 0.000 1.111 636 I CA 1.503 62.812 61.300 0.014 0.000 1.382 636 I CB -0.726 37.270 38.000 -0.008 0.000 1.060 636 I HN 0.197 nan 8.210 nan 0.000 0.418 637 R N 0.370 120.927 120.500 0.095 0.000 2.285 637 R HA -0.138 4.201 4.340 -0.002 0.000 0.213 637 R C 1.949 178.458 176.300 0.347 0.000 1.068 637 R CA 0.545 56.777 56.100 0.220 0.000 1.004 637 R CB -0.200 30.035 30.300 -0.109 0.000 0.873 637 R HN 0.558 nan 8.270 nan 0.000 0.467 638 Q N -0.087 119.798 119.800 0.143 0.000 2.364 638 Q HA -0.019 4.319 4.340 -0.002 0.000 0.207 638 Q C 1.841 177.915 176.000 0.123 0.000 0.970 638 Q CA 1.062 56.921 55.803 0.094 0.000 0.888 638 Q CB 0.145 28.805 28.738 -0.130 0.000 0.951 638 Q HN 0.339 nan 8.270 nan 0.000 0.469 639 A N 0.129 123.023 122.820 0.123 0.000 2.167 639 A HA 0.017 4.336 4.320 -0.002 0.000 0.214 639 A C 0.217 177.742 177.584 -0.099 0.000 1.151 639 A CA 0.250 52.271 52.037 -0.026 0.000 0.735 639 A CB 0.032 18.951 19.000 -0.135 0.000 0.802 639 A HN 0.177 nan 8.150 nan 0.000 0.467 640 F N 0.508 120.564 119.950 0.176 0.000 2.391 640 F HA 0.459 4.985 4.527 -0.002 0.000 0.359 640 F C 0.351 176.255 175.800 0.173 0.000 1.122 640 F CA -0.486 57.635 58.000 0.202 0.000 1.120 640 F CB 1.432 40.662 39.000 0.384 0.000 1.142 640 F HN 0.069 nan 8.300 nan 0.000 0.483 641 V N 1.654 121.693 119.914 0.207 0.000 3.155 641 V HA 0.752 4.871 4.120 -0.002 0.000 0.313 641 V C -2.875 173.293 176.094 0.122 0.000 1.162 641 V CA -3.244 59.152 62.300 0.159 0.000 1.048 641 V CB 1.862 33.742 31.823 0.095 0.000 1.092 641 V HN 0.323 nan 8.190 nan 0.000 0.447 642 P HA 0.230 nan 4.420 nan 0.000 0.272 642 P C 0.670 177.981 177.300 0.018 0.000 1.223 642 P CA 0.253 63.427 63.100 0.123 0.000 0.784 642 P CB 0.810 32.635 31.700 0.208 0.000 0.923 643 S N -0.186 115.478 115.700 -0.061 0.000 2.562 643 S HA 0.058 4.527 4.470 -0.002 0.000 0.221 643 S C 0.377 174.797 174.600 -0.300 0.000 0.975 643 S CA 0.356 58.456 58.200 -0.166 0.000 0.918 643 S CB -0.364 62.733 63.200 -0.172 0.000 0.772 643 S HN 0.459 nan 8.310 nan 0.000 0.531 644 E N 1.424 121.369 120.200 -0.425 0.000 2.369 644 E HA 0.432 4.781 4.350 -0.002 0.000 0.270 644 E C -0.996 175.479 176.600 -0.209 0.000 0.909 644 E CA -0.789 55.300 56.400 -0.517 0.000 0.775 644 E CB 2.137 31.106 29.700 -1.217 0.000 1.270 644 E HN 0.361 nan 8.360 nan 0.000 0.445 645 S N 1.322 116.962 115.700 -0.101 0.000 2.562 645 S HA 0.082 4.551 4.470 -0.002 0.000 0.281 645 S C 0.141 174.841 174.600 0.167 0.000 1.333 645 S CA -0.335 57.885 58.200 0.034 0.000 1.052 645 S CB 0.410 63.623 63.200 0.021 0.000 0.884 645 S HN 0.656 nan 8.310 nan 0.000 0.506 646 D N -0.292 120.218 120.400 0.184 0.000 3.041 646 D HA -0.122 4.516 4.640 -0.002 0.000 0.220 646 D C -1.077 175.414 176.300 0.319 0.000 1.157 646 D CA 1.205 55.332 54.000 0.212 0.000 0.876 646 D CB -1.469 39.434 40.800 0.171 0.000 1.107 646 D HN 0.657 nan 8.370 nan 0.000 0.422 647 W N 0.108 121.414 121.300 0.010 0.000 2.576 647 W HA 0.733 5.391 4.660 -0.002 0.000 0.360 647 W C 0.526 177.061 176.519 0.027 0.000 1.109 647 W CA -0.401 56.942 57.345 -0.002 0.000 1.237 647 W CB 0.806 30.256 29.460 -0.017 0.000 1.369 647 W HN -0.177 nan 8.180 nan 0.000 0.609 648 L N 2.809 124.151 121.223 0.198 0.000 2.359 648 L HA 0.514 4.853 4.340 -0.002 0.000 0.256 648 L C -0.693 176.291 176.870 0.190 0.000 1.026 648 L CA -1.367 53.587 54.840 0.190 0.000 0.828 648 L CB 1.717 43.882 42.059 0.176 0.000 1.406 648 L HN -0.000 nan 8.230 nan 0.000 0.413 649 I N 1.352 122.056 120.570 0.222 0.000 2.353 649 I HA 0.298 4.467 4.170 -0.002 0.000 0.293 649 I C -0.704 175.581 176.117 0.280 0.000 0.992 649 I CA 0.011 61.434 61.300 0.204 0.000 1.268 649 I CB 1.062 39.173 38.000 0.186 0.000 1.387 649 I HN 0.348 nan 8.210 nan 0.000 0.478 650 F N 5.545 125.543 119.950 0.080 0.000 2.493 650 F HA 0.723 5.248 4.527 -0.002 0.000 0.329 650 F C -0.365 175.487 175.800 0.086 0.000 1.126 650 F CA -0.474 57.595 58.000 0.114 0.000 0.937 650 F CB 1.520 40.526 39.000 0.010 0.000 1.146 650 F HN 0.512 nan 8.300 nan 0.000 0.442 651 A N 4.541 127.249 122.820 -0.188 0.000 2.356 651 A HA 0.915 5.234 4.320 -0.002 0.000 0.310 651 A C -1.516 175.977 177.584 -0.152 0.000 1.075 651 A CA -0.349 51.666 52.037 -0.037 0.000 0.746 651 A CB 1.099 20.164 19.000 0.108 0.000 1.221 651 A HN 1.201 nan 8.150 nan 0.000 0.443 652 A N 2.849 125.667 122.820 -0.003 0.000 2.374 652 A HA 0.761 5.080 4.320 -0.002 0.000 0.305 652 A C -1.164 176.402 177.584 -0.030 0.000 1.053 652 A CA -0.485 51.548 52.037 -0.007 0.000 0.726 652 A CB 1.009 20.060 19.000 0.086 0.000 1.229 652 A HN 0.923 nan 8.150 nan 0.000 0.431 653 D N 1.453 121.828 120.400 -0.042 0.000 2.738 653 D HA 0.398 5.036 4.640 -0.002 0.000 0.237 653 D C -1.243 175.029 176.300 -0.047 0.000 1.123 653 D CA -0.322 53.667 54.000 -0.019 0.000 0.856 653 D CB 1.002 41.842 40.800 0.067 0.000 1.552 653 D HN 0.422 nan 8.370 nan 0.000 0.480 654 Y N 0.458 120.781 120.300 0.039 0.000 2.425 654 Y HA 0.165 4.714 4.550 -0.002 0.000 0.331 654 Y C 1.372 177.279 175.900 0.011 0.000 1.157 654 Y CA 0.093 58.202 58.100 0.014 0.000 1.372 654 Y CB 1.275 39.732 38.460 -0.005 0.000 1.253 654 Y HN 0.301 nan 8.280 nan 0.000 0.536 655 S N 4.296 120.097 115.700 0.169 0.000 2.422 655 S HA 0.113 4.582 4.470 -0.002 0.000 0.298 655 S C -0.361 174.276 174.600 0.062 0.000 1.118 655 S CA -0.716 57.546 58.200 0.104 0.000 1.083 655 S CB 0.056 63.306 63.200 0.084 0.000 0.971 655 S HN 0.731 nan 8.310 nan 0.000 0.478 656 Q N 2.788 122.622 119.800 0.057 0.000 2.451 656 Q HA -0.224 4.115 4.340 -0.002 0.000 0.305 656 Q C 0.686 176.613 176.000 -0.122 0.000 1.345 656 Q CA 0.751 56.558 55.803 0.007 0.000 0.854 656 Q CB -2.173 26.619 28.738 0.091 0.000 1.162 656 Q HN 0.917 nan 8.270 nan 0.000 0.440 657 I N -0.468 120.043 120.570 -0.098 0.000 2.286 657 I HA -0.298 3.871 4.170 -0.002 0.000 0.248 657 I C 1.722 177.711 176.117 -0.214 0.000 1.115 657 I CA 1.734 62.909 61.300 -0.209 0.000 1.392 657 I CB 0.349 38.176 38.000 -0.288 0.000 1.065 657 I HN 0.226 nan 8.210 nan 0.000 0.418 658 E N 0.896 121.010 120.200 -0.144 0.000 2.051 658 E HA -0.212 4.137 4.350 -0.002 0.000 0.192 658 E C 2.119 178.647 176.600 -0.120 0.000 0.991 658 E CA 1.468 57.795 56.400 -0.122 0.000 0.799 658 E CB -0.391 29.243 29.700 -0.110 0.000 0.748 658 E HN 0.476 nan 8.360 nan 0.000 0.449 659 L N 0.182 121.349 121.223 -0.093 0.000 2.141 659 L HA -0.115 4.223 4.340 -0.002 0.000 0.209 659 L C 2.376 179.173 176.870 -0.122 0.000 1.094 659 L CA 1.026 55.866 54.840 0.000 0.000 0.763 659 L CB -0.182 42.012 42.059 0.226 0.000 0.908 659 L HN 0.064 nan 8.230 nan 0.000 0.437 660 R N -0.929 119.277 120.500 -0.490 0.000 2.092 660 R HA -0.097 4.241 4.340 -0.002 0.000 0.231 660 R C 2.243 178.388 176.300 -0.260 0.000 1.119 660 R CA 0.921 56.626 56.100 -0.658 0.000 0.970 660 R CB -0.349 29.504 30.300 -0.744 0.000 0.864 660 R HN 0.140 nan 8.270 nan 0.000 0.440 661 V N 1.412 121.200 119.914 -0.211 0.000 2.343 661 V HA -0.225 3.894 4.120 -0.002 0.000 0.247 661 V C 2.155 178.201 176.094 -0.080 0.000 1.051 661 V CA 1.502 63.724 62.300 -0.130 0.000 1.036 661 V CB -0.405 31.334 31.823 -0.139 0.000 0.654 661 V HN 0.247 nan 8.190 nan 0.000 0.451 662 L N 0.990 122.149 121.223 -0.106 0.000 2.046 662 L HA -0.093 4.245 4.340 -0.002 0.000 0.208 662 L C 2.439 179.258 176.870 -0.086 0.000 1.077 662 L CA 2.410 57.164 54.840 -0.143 0.000 0.747 662 L CB -1.024 40.982 42.059 -0.088 0.000 0.896 662 L HN 0.220 nan 8.230 nan 0.000 0.432 663 A N -1.216 121.614 122.820 0.017 0.000 1.908 663 A HA -0.323 3.996 4.320 -0.002 0.000 0.218 663 A C 2.294 179.907 177.584 0.048 0.000 1.181 663 A CA 1.942 54.032 52.037 0.088 0.000 0.627 663 A CB -1.099 18.034 19.000 0.220 0.000 0.818 663 A HN 0.756 nan 8.150 nan 0.000 0.445 664 H N 0.714 119.750 119.070 -0.056 0.000 2.293 664 H HA -0.095 4.460 4.556 -0.002 0.000 0.300 664 H C 1.873 177.161 175.328 -0.067 0.000 1.082 664 H CA 2.215 58.230 56.048 -0.056 0.000 1.308 664 H CB -0.323 29.392 29.762 -0.078 0.000 1.375 664 H HN 0.534 nan 8.280 nan 0.000 0.495 665 I N -1.745 118.760 120.570 -0.108 0.000 2.394 665 I HA 0.020 4.189 4.170 -0.002 0.000 0.251 665 I C 2.291 178.290 176.117 -0.197 0.000 1.136 665 I CA 1.501 62.689 61.300 -0.185 0.000 1.425 665 I CB -0.466 37.428 38.000 -0.177 0.000 1.079 665 I HN 0.310 nan 8.210 nan 0.000 0.425 666 A N 0.454 123.146 122.820 -0.213 0.000 2.132 666 A HA 0.042 4.360 4.320 -0.002 0.000 0.213 666 A C 1.190 178.766 177.584 -0.013 0.000 1.154 666 A CA 0.332 52.324 52.037 -0.076 0.000 0.753 666 A CB -0.502 18.467 19.000 -0.052 0.000 0.826 666 A HN 0.597 nan 8.150 nan 0.000 0.469 667 E N 0.586 120.753 120.200 -0.055 0.000 2.360 667 E HA -0.188 4.160 4.350 -0.002 0.000 0.238 667 E C -0.633 175.982 176.600 0.025 0.000 1.186 667 E CA 0.636 57.016 56.400 -0.032 0.000 0.719 667 E CB -1.286 28.385 29.700 -0.048 0.000 1.236 667 E HN 0.723 nan 8.360 nan 0.000 0.386 668 D N 0.513 120.949 120.400 0.061 0.000 2.325 668 D HA -0.002 4.636 4.640 -0.002 0.000 0.251 668 D C 0.726 177.084 176.300 0.097 0.000 1.196 668 D CA -0.262 53.801 54.000 0.104 0.000 0.866 668 D CB 0.783 41.688 40.800 0.175 0.000 1.101 668 D HN 0.017 nan 8.370 nan 0.000 0.476 669 D N 3.249 123.687 120.400 0.063 0.000 2.123 669 D HA -0.200 4.439 4.640 -0.002 0.000 0.196 669 D C 1.506 177.834 176.300 0.047 0.000 0.992 669 D CA 0.991 55.017 54.000 0.043 0.000 0.833 669 D CB 0.038 40.847 40.800 0.014 0.000 0.954 669 D HN 0.479 nan 8.370 nan 0.000 0.455 670 N N 0.068 118.794 118.700 0.043 0.000 2.106 670 N HA -0.111 4.628 4.740 -0.002 0.000 0.188 670 N C 1.652 177.249 175.510 0.146 0.000 1.029 670 N CA 0.491 53.551 53.050 0.017 0.000 0.848 670 N CB -0.326 38.052 38.487 -0.183 0.000 1.007 670 N HN 0.058 nan 8.380 nan 0.000 0.423 671 L N 0.412 121.806 121.223 0.285 0.000 2.093 671 L HA 0.094 4.433 4.340 -0.002 0.000 0.208 671 L C 2.150 179.117 176.870 0.161 0.000 1.085 671 L CA 1.384 56.352 54.840 0.212 0.000 0.755 671 L CB -0.490 41.671 42.059 0.171 0.000 0.904 671 L HN 0.258 nan 8.230 nan 0.000 0.435 672 M N -1.133 118.570 119.600 0.171 0.000 2.117 672 M HA -0.198 4.280 4.480 -0.002 0.000 0.262 672 M C 2.144 178.524 176.300 0.134 0.000 1.065 672 M CA 1.792 57.200 55.300 0.179 0.000 1.114 672 M CB -0.374 32.297 32.600 0.120 0.000 1.361 672 M HN 0.234 nan 8.290 nan 0.000 0.408 673 E N 0.928 121.173 120.200 0.076 0.000 2.077 673 E HA -0.135 4.214 4.350 -0.002 0.000 0.193 673 E C 1.828 178.437 176.600 0.014 0.000 0.989 673 E CA 1.817 58.242 56.400 0.041 0.000 0.800 673 E CB -0.159 29.549 29.700 0.014 0.000 0.746 673 E HN 0.385 nan 8.360 nan 0.000 0.452 674 A N -0.212 122.587 122.820 -0.036 0.000 1.883 674 A HA -0.151 4.168 4.320 -0.002 0.000 0.217 674 A C 2.163 179.640 177.584 -0.179 0.000 1.186 674 A CA 1.590 53.534 52.037 -0.154 0.000 0.624 674 A CB -1.031 17.802 19.000 -0.278 0.000 0.822 674 A HN 0.419 nan 8.150 nan 0.000 0.444 675 F N -0.678 119.286 119.950 0.023 0.000 2.325 675 F HA -0.037 4.489 4.527 -0.002 0.000 0.299 675 F C 2.554 178.363 175.800 0.015 0.000 1.090 675 F CA 0.958 58.965 58.000 0.012 0.000 1.392 675 F CB -0.054 38.951 39.000 0.009 0.000 1.053 675 F HN 0.094 nan 8.300 nan 0.000 0.521 676 R N 0.084 120.688 120.500 0.174 0.000 2.148 676 R HA -0.050 4.288 4.340 -0.002 0.000 0.227 676 R C 1.728 178.072 176.300 0.074 0.000 1.103 676 R CA 0.856 57.021 56.100 0.110 0.000 0.983 676 R CB -0.178 30.171 30.300 0.080 0.000 0.874 676 R HN 0.245 nan 8.270 nan 0.000 0.451 677 R N 0.270 120.801 120.500 0.052 0.000 2.317 677 R HA -0.010 4.329 4.340 -0.002 0.000 0.208 677 R C -0.143 176.176 176.300 0.033 0.000 0.914 677 R CA 0.157 56.273 56.100 0.027 0.000 1.060 677 R CB 0.132 30.433 30.300 0.001 0.000 1.015 677 R HN 0.044 nan 8.270 nan 0.000 0.498 678 D N 1.068 121.508 120.400 0.067 0.000 2.708 678 D HA -0.169 4.469 4.640 -0.002 0.000 0.236 678 D C -0.749 175.570 176.300 0.030 0.000 1.146 678 D CA 0.538 54.590 54.000 0.086 0.000 0.662 678 D CB -0.974 39.872 40.800 0.077 0.000 1.059 678 D HN 0.183 nan 8.370 nan 0.000 0.428 679 L N -0.039 121.166 121.223 -0.029 0.000 2.466 679 L HA 0.210 4.549 4.340 -0.002 0.000 0.257 679 L C 1.241 178.065 176.870 -0.076 0.000 1.189 679 L CA -0.380 54.424 54.840 -0.060 0.000 0.813 679 L CB 0.341 42.342 42.059 -0.097 0.000 1.118 679 L HN 0.133 nan 8.230 nan 0.000 0.471 680 D N 1.305 121.670 120.400 -0.058 0.000 2.346 680 D HA -0.020 4.619 4.640 -0.002 0.000 0.260 680 D C 0.830 177.053 176.300 -0.128 0.000 1.252 680 D CA -0.173 53.791 54.000 -0.061 0.000 0.895 680 D CB 1.083 41.874 40.800 -0.016 0.000 1.097 680 D HN 0.395 nan 8.370 nan 0.000 0.489 681 I N 5.445 125.876 120.570 -0.232 0.000 2.361 681 I HA -0.261 3.908 4.170 -0.002 0.000 0.251 681 I C 1.802 177.791 176.117 -0.214 0.000 1.133 681 I CA 1.452 62.561 61.300 -0.318 0.000 1.413 681 I CB -0.221 37.545 38.000 -0.389 0.000 1.073 681 I HN 0.503 nan 8.210 nan 0.000 0.424 682 H N -0.736 118.324 119.070 -0.017 0.000 2.395 682 H HA 0.012 4.567 4.556 -0.002 0.000 0.299 682 H C 2.211 177.528 175.328 -0.019 0.000 1.070 682 H CA 1.760 57.793 56.048 -0.025 0.000 1.356 682 H CB -0.896 28.848 29.762 -0.029 0.000 1.401 682 H HN 0.280 nan 8.280 nan 0.000 0.524 683 T N 1.177 115.783 114.554 0.087 0.000 2.777 683 T HA -0.126 4.222 4.350 -0.002 0.000 0.266 683 T C 2.107 176.824 174.700 0.028 0.000 1.040 683 T CA 1.666 63.798 62.100 0.052 0.000 1.141 683 T CB 0.084 68.970 68.868 0.030 0.000 0.868 683 T HN 0.176 nan 8.240 nan 0.000 0.444 684 K N 1.286 121.685 120.400 -0.002 0.000 2.057 684 K HA -0.065 4.253 4.320 -0.002 0.000 0.207 684 K C 2.190 178.811 176.600 0.035 0.000 1.049 684 K CA 1.718 58.001 56.287 -0.007 0.000 0.931 684 K CB -0.920 31.550 32.500 -0.050 0.000 0.714 684 K HN 0.215 nan 8.250 nan 0.000 0.440 685 T N 0.378 114.968 114.554 0.061 0.000 2.821 685 T HA -0.055 4.294 4.350 -0.002 0.000 0.267 685 T C 1.807 176.490 174.700 -0.028 0.000 1.046 685 T CA 1.287 63.451 62.100 0.106 0.000 1.139 685 T CB -0.475 68.460 68.868 0.113 0.000 0.871 685 T HN 0.400 nan 8.240 nan 0.000 0.454 686 A N 1.502 124.311 122.820 -0.017 0.000 1.877 686 A HA -0.073 4.246 4.320 -0.002 0.000 0.216 686 A C 2.329 179.926 177.584 0.022 0.000 1.186 686 A CA 1.586 53.621 52.037 -0.003 0.000 0.620 686 A CB -0.721 18.378 19.000 0.165 0.000 0.822 686 A HN 0.451 nan 8.150 nan 0.000 0.443 687 M N -0.515 119.102 119.600 0.028 0.000 2.108 687 M HA -0.193 4.286 4.480 -0.002 0.000 0.261 687 M C 1.581 177.860 176.300 -0.036 0.000 1.066 687 M CA 1.862 57.172 55.300 0.018 0.000 1.107 687 M CB -0.536 32.062 32.600 -0.002 0.000 1.356 687 M HN 0.329 nan 8.290 nan 0.000 0.406 688 D N 0.499 120.845 120.400 -0.091 0.000 2.091 688 D HA -0.084 4.554 4.640 -0.002 0.000 0.199 688 D C 1.894 178.081 176.300 -0.189 0.000 0.980 688 D CA 1.430 55.334 54.000 -0.160 0.000 0.831 688 D CB -0.432 40.219 40.800 -0.248 0.000 0.987 688 D HN 0.533 nan 8.370 nan 0.000 0.460 689 I N -2.473 117.925 120.570 -0.287 0.000 2.546 689 I HA -0.107 4.062 4.170 -0.002 0.000 0.255 689 I C 1.159 177.036 176.117 -0.399 0.000 1.163 689 I CA 1.179 62.235 61.300 -0.406 0.000 1.457 689 I CB -0.308 37.313 38.000 -0.632 0.000 1.092 689 I HN -0.224 nan 8.210 nan 0.000 0.434 690 F N 1.609 121.530 119.950 -0.048 0.000 2.695 690 F HA 0.292 4.818 4.527 -0.002 0.000 0.303 690 F C 0.688 176.475 175.800 -0.023 0.000 1.091 690 F CA -0.769 57.209 58.000 -0.036 0.000 1.300 690 F CB -0.685 38.281 39.000 -0.057 0.000 1.071 690 F HN 0.157 nan 8.300 nan 0.000 0.578 691 Q N 0.444 120.294 119.800 0.084 0.000 2.452 691 Q HA -0.128 4.210 4.340 -0.002 0.000 0.318 691 Q C -0.548 175.484 176.000 0.052 0.000 1.386 691 Q CA 0.526 56.354 55.803 0.042 0.000 0.872 691 Q CB -2.049 26.712 28.738 0.038 0.000 1.151 691 Q HN 0.328 nan 8.270 nan 0.000 0.417 692 V N -3.695 116.253 119.914 0.058 0.000 3.141 692 V HA 0.880 4.998 4.120 -0.002 0.000 0.312 692 V C 0.443 176.551 176.094 0.024 0.000 1.157 692 V CA -0.492 61.834 62.300 0.043 0.000 1.041 692 V CB 2.164 34.022 31.823 0.059 0.000 1.071 692 V HN 0.369 nan 8.190 nan 0.000 0.441 693 S N -0.565 115.144 115.700 0.014 0.000 2.645 693 S HA 0.310 4.779 4.470 -0.002 0.000 0.266 693 S C 0.950 175.555 174.600 0.009 0.000 1.258 693 S CA 0.530 58.733 58.200 0.005 0.000 0.990 693 S CB 1.114 64.314 63.200 0.000 0.000 0.967 693 S HN 1.074 nan 8.310 nan 0.000 0.556 694 E N 0.544 120.746 120.200 0.003 0.000 2.085 694 E HA -0.249 4.099 4.350 -0.002 0.000 0.194 694 E C 0.853 177.456 176.600 0.006 0.000 0.994 694 E CA 1.750 58.153 56.400 0.005 0.000 0.801 694 E CB -0.274 29.425 29.700 -0.001 0.000 0.743 694 E HN 0.729 nan 8.360 nan 0.000 0.453 695 D N 0.380 120.781 120.400 0.002 0.000 2.263 695 D HA -0.138 4.500 4.640 -0.002 0.000 0.208 695 D C 1.118 177.418 176.300 -0.000 0.000 0.971 695 D CA 0.941 54.941 54.000 -0.000 0.000 0.867 695 D CB -0.062 40.737 40.800 -0.002 0.000 0.929 695 D HN 0.439 nan 8.370 nan 0.000 0.492 696 E N 0.175 120.377 120.200 0.003 0.000 2.489 696 E HA 0.058 4.407 4.350 -0.002 0.000 0.193 696 E C 0.114 176.715 176.600 0.001 0.000 1.057 696 E CA -0.127 56.274 56.400 0.000 0.000 0.866 696 E CB 0.896 30.598 29.700 0.004 0.000 0.916 696 E HN -0.018 nan 8.360 nan 0.000 0.500 697 V N 3.150 123.071 119.914 0.012 0.000 2.439 697 V HA 0.015 4.134 4.120 -0.002 0.000 0.271 697 V C 0.749 176.841 176.094 -0.003 0.000 1.040 697 V CA -0.082 62.230 62.300 0.020 0.000 1.002 697 V CB 0.506 32.353 31.823 0.040 0.000 1.000 697 V HN 0.231 nan 8.190 nan 0.000 0.477 698 T N 3.688 118.225 114.554 -0.027 0.000 2.874 698 T HA 0.354 4.703 4.350 -0.002 0.000 0.281 698 T C -1.695 172.986 174.700 -0.032 0.000 0.994 698 T CA -1.864 60.214 62.100 -0.037 0.000 1.015 698 T CB 1.497 70.329 68.868 -0.061 0.000 1.028 698 T HN 0.357 nan 8.240 nan 0.000 0.523 699 P HA -0.082 nan 4.420 nan 0.000 0.215 699 P C 1.431 178.709 177.300 -0.038 0.000 1.153 699 P CA 0.945 64.029 63.100 -0.027 0.000 0.853 699 P CB -0.032 31.652 31.700 -0.026 0.000 0.788 700 N N -1.348 117.322 118.700 -0.051 0.000 2.188 700 N HA -0.096 4.643 4.740 -0.002 0.000 0.184 700 N C 1.634 177.100 175.510 -0.073 0.000 1.018 700 N CA 1.198 54.212 53.050 -0.060 0.000 0.858 700 N CB -0.566 37.881 38.487 -0.067 0.000 0.989 700 N HN 0.027 nan 8.380 nan 0.000 0.426 701 M N -0.437 119.105 119.600 -0.097 0.000 2.117 701 M HA -0.110 4.369 4.480 -0.002 0.000 0.262 701 M C 2.277 178.626 176.300 0.081 0.000 1.065 701 M CA 1.201 56.449 55.300 -0.087 0.000 1.114 701 M CB -0.146 32.379 32.600 -0.124 0.000 1.361 701 M HN 0.136 nan 8.290 nan 0.000 0.408 702 R N 0.347 120.866 120.500 0.030 0.000 2.075 702 R HA -0.149 4.189 4.340 -0.002 0.000 0.232 702 R C 2.306 178.574 176.300 -0.054 0.000 1.126 702 R CA 1.509 57.622 56.100 0.023 0.000 0.963 702 R CB -0.180 30.131 30.300 0.018 0.000 0.858 702 R HN 0.266 nan 8.270 nan 0.000 0.435 703 R N 0.439 120.896 120.500 -0.072 0.000 2.091 703 R HA -0.166 4.173 4.340 -0.002 0.000 0.238 703 R C 2.095 178.310 176.300 -0.141 0.000 1.136 703 R CA 2.016 58.040 56.100 -0.126 0.000 0.959 703 R CB -0.079 30.171 30.300 -0.085 0.000 0.856 703 R HN 0.403 nan 8.270 nan 0.000 0.437 704 Q N -0.633 119.131 119.800 -0.061 0.000 2.172 704 Q HA -0.046 4.293 4.340 -0.002 0.000 0.200 704 Q C 2.069 178.006 176.000 -0.105 0.000 0.964 704 Q CA 1.195 56.975 55.803 -0.038 0.000 0.855 704 Q CB 0.056 28.819 28.738 0.043 0.000 0.918 704 Q HN 0.432 nan 8.270 nan 0.000 0.444 705 A N 1.678 124.453 122.820 -0.075 0.000 1.930 705 A HA -0.182 4.137 4.320 -0.002 0.000 0.217 705 A C 2.031 179.512 177.584 -0.172 0.000 1.175 705 A CA 1.311 53.275 52.037 -0.122 0.000 0.627 705 A CB -0.329 18.650 19.000 -0.035 0.000 0.815 705 A HN 0.169 nan 8.150 nan 0.000 0.443 706 K N -0.127 120.079 120.400 -0.324 0.000 2.097 706 K HA -0.064 4.255 4.320 -0.002 0.000 0.205 706 K C 2.094 178.216 176.600 -0.796 0.000 1.050 706 K CA 1.142 56.985 56.287 -0.740 0.000 0.938 706 K CB -0.294 31.554 32.500 -1.086 0.000 0.718 706 K HN 0.353 nan 8.250 nan 0.000 0.442 707 A N 0.740 123.244 122.820 -0.527 0.000 1.930 707 A HA -0.083 4.236 4.320 -0.002 0.000 0.217 707 A C 2.194 179.657 177.584 -0.202 0.000 1.175 707 A CA 1.403 53.215 52.037 -0.376 0.000 0.627 707 A CB -0.495 18.402 19.000 -0.172 0.000 0.815 707 A HN 0.167 nan 8.150 nan 0.000 0.443 708 V N 0.951 120.758 119.914 -0.178 0.000 2.407 708 V HA -0.236 3.882 4.120 -0.002 0.000 0.248 708 V C 2.266 178.222 176.094 -0.231 0.000 1.055 708 V CA 2.047 64.244 62.300 -0.172 0.000 1.049 708 V CB -0.924 30.785 31.823 -0.190 0.000 0.662 708 V HN 0.539 nan 8.190 nan 0.000 0.455 709 N N -0.027 118.579 118.700 -0.158 0.000 2.188 709 N HA -0.076 4.662 4.740 -0.002 0.000 0.184 709 N C 1.794 177.362 175.510 0.097 0.000 1.018 709 N CA 1.507 54.529 53.050 -0.047 0.000 0.858 709 N CB -0.372 38.218 38.487 0.171 0.000 0.989 709 N HN 0.539 nan 8.380 nan 0.000 0.426 710 F N 0.618 120.462 119.950 -0.176 0.000 2.146 710 F HA -0.065 4.461 4.527 -0.002 0.000 0.298 710 F C 2.557 178.210 175.800 -0.245 0.000 1.096 710 F CA 0.465 58.308 58.000 -0.262 0.000 1.275 710 F CB -0.365 38.542 39.000 -0.155 0.000 1.008 710 F HN 0.124 nan 8.300 nan 0.000 0.480 711 G N 1.027 109.873 108.800 0.078 0.000 2.433 711 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.216 711 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.216 711 G C 1.557 176.454 174.900 -0.004 0.000 1.186 711 G CA 0.658 45.794 45.100 0.060 0.000 0.779 711 G HN 0.122 nan 8.290 nan 0.000 0.543 712 I N 0.929 121.419 120.570 -0.134 0.000 2.143 712 I HA -0.197 3.971 4.170 -0.002 0.000 0.245 712 I C 2.954 179.051 176.117 -0.035 0.000 1.068 712 I CA 1.061 62.262 61.300 -0.166 0.000 1.326 712 I CB -1.091 36.659 38.000 -0.418 0.000 1.028 712 I HN 0.058 nan 8.210 nan 0.000 0.412 713 V N -0.368 119.494 119.914 -0.087 0.000 2.283 713 V HA -0.243 3.875 4.120 -0.002 0.000 0.243 713 V C 1.555 177.701 176.094 0.086 0.000 1.039 713 V CA 1.237 63.494 62.300 -0.072 0.000 1.016 713 V CB -0.769 30.885 31.823 -0.282 0.000 0.650 713 V HN 0.324 nan 8.190 nan 0.000 0.449 714 Y N 1.213 121.530 120.300 0.028 0.000 3.057 714 Y HA 0.382 4.931 4.550 -0.002 0.000 0.389 714 Y C 1.412 177.338 175.900 0.043 0.000 1.049 714 Y CA -0.065 58.053 58.100 0.030 0.000 1.876 714 Y CB -0.762 37.722 38.460 0.040 0.000 1.918 714 Y HN 0.439 nan 8.280 nan 0.000 0.446 715 G N 2.115 111.023 108.800 0.181 0.000 2.434 715 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.224 715 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.224 715 G C -0.432 174.547 174.900 0.133 0.000 0.807 715 G CA -0.597 44.575 45.100 0.121 0.000 1.113 715 G HN 0.459 nan 8.290 nan 0.000 0.327 716 I N 1.904 122.548 120.570 0.124 0.000 2.813 716 I HA 0.500 4.668 4.170 -0.002 0.000 0.287 716 I C 0.801 177.003 176.117 0.142 0.000 1.196 716 I CA 0.748 62.117 61.300 0.114 0.000 1.421 716 I CB 1.056 39.113 38.000 0.096 0.000 1.365 716 I HN 1.320 nan 8.210 nan 0.000 0.591 717 S N 4.334 120.122 115.700 0.146 0.000 2.584 717 S HA 0.270 4.738 4.470 -0.002 0.000 0.280 717 S C -0.268 174.440 174.600 0.180 0.000 1.162 717 S CA -0.506 57.802 58.200 0.180 0.000 0.951 717 S CB 1.158 64.484 63.200 0.211 0.000 1.108 717 S HN 0.692 nan 8.310 nan 0.000 0.464 718 D N 1.153 121.668 120.400 0.191 0.000 2.379 718 D HA -0.086 4.553 4.640 -0.002 0.000 0.243 718 D C 0.519 176.943 176.300 0.207 0.000 1.088 718 D CA 0.457 54.556 54.000 0.165 0.000 0.925 718 D CB -0.272 40.618 40.800 0.151 0.000 0.888 718 D HN 0.650 nan 8.370 nan 0.000 0.529 719 Y N -0.020 120.337 120.300 0.095 0.000 2.673 719 Y HA 0.338 4.887 4.550 -0.002 0.000 0.278 719 Y C 2.391 178.341 175.900 0.084 0.000 1.127 719 Y CA 0.869 59.021 58.100 0.088 0.000 1.261 719 Y CB 0.176 38.701 38.460 0.108 0.000 1.412 719 Y HN -0.019 nan 8.280 nan 0.000 0.496 720 G N 0.847 109.686 108.800 0.065 0.000 2.422 720 G HA2 -0.207 3.751 3.960 -0.002 0.000 0.218 720 G HA3 -0.207 3.751 3.960 -0.002 0.000 0.218 720 G C 1.465 176.355 174.900 -0.018 0.000 1.140 720 G CA 1.070 46.165 45.100 -0.008 0.000 0.775 720 G HN 0.380 nan 8.290 nan 0.000 0.545 721 L N 1.388 122.627 121.223 0.026 0.000 1.988 721 L HA 0.220 4.558 4.340 -0.002 0.000 0.207 721 L C 3.094 179.965 176.870 0.002 0.000 1.071 721 L CA 2.195 57.057 54.840 0.036 0.000 0.744 721 L CB -0.906 41.193 42.059 0.067 0.000 0.893 721 L HN 0.213 nan 8.230 nan 0.000 0.433 722 A N -0.848 121.954 122.820 -0.031 0.000 1.873 722 A HA -0.362 3.957 4.320 -0.002 0.000 0.218 722 A C 2.348 179.881 177.584 -0.084 0.000 1.193 722 A CA 2.259 54.262 52.037 -0.057 0.000 0.629 722 A CB -1.010 17.952 19.000 -0.063 0.000 0.826 722 A HN 0.695 nan 8.150 nan 0.000 0.447 723 Q N -0.536 119.160 119.800 -0.174 0.000 2.135 723 Q HA -0.242 4.096 4.340 -0.002 0.000 0.204 723 Q C 2.099 178.057 176.000 -0.071 0.000 0.981 723 Q CA 1.838 57.539 55.803 -0.170 0.000 0.856 723 Q CB -0.237 28.320 28.738 -0.303 0.000 0.902 723 Q HN 0.767 nan 8.270 nan 0.000 0.425 724 N N 0.093 118.768 118.700 -0.042 0.000 2.216 724 N HA -0.095 4.644 4.740 -0.002 0.000 0.183 724 N C 1.340 176.857 175.510 0.011 0.000 1.017 724 N CA 0.774 53.825 53.050 0.003 0.000 0.861 724 N CB 0.060 38.565 38.487 0.030 0.000 0.986 724 N HN 0.324 nan 8.380 nan 0.000 0.428 725 L N 0.719 121.952 121.223 0.017 0.000 2.628 725 L HA 0.170 4.509 4.340 -0.002 0.000 0.229 725 L C -0.152 176.733 176.870 0.026 0.000 1.137 725 L CA -0.067 54.796 54.840 0.039 0.000 0.909 725 L CB -0.240 41.877 42.059 0.097 0.000 1.137 725 L HN 0.067 nan 8.230 nan 0.000 0.470 726 N N 1.781 120.483 118.700 0.005 0.000 2.725 726 N HA -0.186 4.552 4.740 -0.002 0.000 0.251 726 N C -0.379 175.131 175.510 -0.001 0.000 1.031 726 N CA 1.298 54.349 53.050 0.002 0.000 0.720 726 N CB -1.307 37.187 38.487 0.013 0.000 0.930 726 N HN 0.556 nan 8.380 nan 0.000 0.543 727 I N -4.257 116.304 120.570 -0.016 0.000 3.466 727 I HA 0.636 4.805 4.170 -0.002 0.000 0.311 727 I C 0.610 176.702 176.117 -0.041 0.000 1.155 727 I CA -1.058 60.223 61.300 -0.031 0.000 0.959 727 I CB 1.823 39.791 38.000 -0.054 0.000 1.332 727 I HN 0.016 nan 8.210 nan 0.000 0.483 728 S N 0.395 116.065 115.700 -0.051 0.000 2.693 728 S HA 0.496 4.964 4.470 -0.002 0.000 0.276 728 S C 0.722 175.302 174.600 -0.034 0.000 1.192 728 S CA -0.749 57.433 58.200 -0.029 0.000 0.994 728 S CB 1.831 65.018 63.200 -0.021 0.000 1.012 728 S HN 0.740 nan 8.310 nan 0.000 0.550 729 R N 0.625 121.134 120.500 0.015 0.000 2.062 729 R HA -0.026 4.312 4.340 -0.002 0.000 0.231 729 R C 2.345 178.648 176.300 0.004 0.000 1.136 729 R CA 1.422 57.547 56.100 0.042 0.000 0.948 729 R CB -0.528 29.837 30.300 0.108 0.000 0.845 729 R HN 0.742 nan 8.270 nan 0.000 0.430 730 K N 1.252 121.651 120.400 -0.002 0.000 2.089 730 K HA -0.235 4.084 4.320 -0.002 0.000 0.210 730 K C 1.816 178.378 176.600 -0.063 0.000 1.048 730 K CA 1.883 58.162 56.287 -0.014 0.000 0.926 730 K CB 0.074 32.568 32.500 -0.010 0.000 0.714 730 K HN 0.256 nan 8.250 nan 0.000 0.448 731 E N -0.294 119.833 120.200 -0.123 0.000 2.028 731 E HA -0.166 4.182 4.350 -0.002 0.000 0.191 731 E C 2.072 178.416 176.600 -0.427 0.000 0.988 731 E CA 0.952 57.189 56.400 -0.271 0.000 0.799 731 E CB -0.185 29.339 29.700 -0.293 0.000 0.755 731 E HN 0.404 nan 8.360 nan 0.000 0.447 732 A N 1.718 124.359 122.820 -0.298 0.000 1.917 732 A HA -0.206 4.113 4.320 -0.002 0.000 0.219 732 A C 2.416 179.966 177.584 -0.056 0.000 1.182 732 A CA 1.961 53.879 52.037 -0.199 0.000 0.633 732 A CB -0.766 18.204 19.000 -0.049 0.000 0.819 732 A HN 0.303 nan 8.150 nan 0.000 0.448 733 A N -0.435 122.375 122.820 -0.016 0.000 2.019 733 A HA -0.144 4.175 4.320 -0.002 0.000 0.219 733 A C 1.872 179.499 177.584 0.071 0.000 1.164 733 A CA 1.573 53.645 52.037 0.058 0.000 0.644 733 A CB -0.460 18.581 19.000 0.068 0.000 0.805 733 A HN 0.674 nan 8.150 nan 0.000 0.449 734 E N -0.862 119.343 120.200 0.010 0.000 2.106 734 E HA -0.106 4.242 4.350 -0.002 0.000 0.192 734 E C 1.659 178.389 176.600 0.217 0.000 0.984 734 E CA 0.955 57.397 56.400 0.070 0.000 0.806 734 E CB -0.284 29.419 29.700 0.005 0.000 0.750 734 E HN 0.804 nan 8.360 nan 0.000 0.458 735 F N 0.777 120.761 119.950 0.056 0.000 2.146 735 F HA -0.165 4.361 4.527 -0.002 0.000 0.298 735 F C 2.311 178.104 175.800 -0.012 0.000 1.096 735 F CA 0.308 58.322 58.000 0.023 0.000 1.275 735 F CB -0.107 38.907 39.000 0.023 0.000 1.008 735 F HN -0.008 nan 8.300 nan 0.000 0.480 736 I N 0.250 120.930 120.570 0.183 0.000 2.179 736 I HA -0.309 3.860 4.170 -0.002 0.000 0.242 736 I C 2.437 178.579 176.117 0.041 0.000 1.088 736 I CA 1.560 62.862 61.300 0.004 0.000 1.357 736 I CB -0.591 37.435 38.000 0.045 0.000 1.051 736 I HN 0.192 nan 8.210 nan 0.000 0.409 737 E N 1.116 121.424 120.200 0.179 0.000 2.110 737 E HA -0.228 4.120 4.350 -0.002 0.000 0.193 737 E C 2.370 179.086 176.600 0.193 0.000 0.988 737 E CA 0.955 57.500 56.400 0.242 0.000 0.804 737 E CB 0.139 29.953 29.700 0.189 0.000 0.745 737 E HN 0.286 nan 8.360 nan 0.000 0.458 738 R N -0.249 120.338 120.500 0.145 0.000 2.092 738 R HA -0.151 4.187 4.340 -0.002 0.000 0.231 738 R C 2.186 178.518 176.300 0.053 0.000 1.119 738 R CA 1.207 57.358 56.100 0.085 0.000 0.970 738 R CB -1.016 29.322 30.300 0.064 0.000 0.864 738 R HN 0.397 nan 8.270 nan 0.000 0.440 739 Y N 0.689 120.952 120.300 -0.063 0.000 2.114 739 Y HA -0.235 4.314 4.550 -0.002 0.000 0.284 739 Y C 1.944 177.901 175.900 0.096 0.000 1.143 739 Y CA 1.603 59.677 58.100 -0.044 0.000 1.135 739 Y CB -0.444 37.862 38.460 -0.256 0.000 0.980 739 Y HN -0.142 nan 8.280 nan 0.000 0.499 740 F N 1.014 121.144 119.950 0.300 0.000 2.333 740 F HA -0.154 4.372 4.527 -0.002 0.000 0.300 740 F C 2.230 178.057 175.800 0.045 0.000 1.083 740 F CA 1.473 59.590 58.000 0.196 0.000 1.395 740 F CB -0.729 38.395 39.000 0.207 0.000 1.056 740 F HN 0.236 nan 8.300 nan 0.000 0.529 741 E N -0.744 119.552 120.200 0.161 0.000 2.152 741 E HA -0.104 4.244 4.350 -0.002 0.000 0.192 741 E C 2.162 178.699 176.600 -0.106 0.000 0.983 741 E CA 1.273 57.696 56.400 0.038 0.000 0.818 741 E CB -0.166 29.549 29.700 0.024 0.000 0.758 741 E HN 0.254 nan 8.360 nan 0.000 0.467 742 S N 0.007 115.556 115.700 -0.251 0.000 2.478 742 S HA 0.059 4.527 4.470 -0.002 0.000 0.222 742 S C 0.351 174.403 174.600 -0.913 0.000 1.008 742 S CA 0.421 58.260 58.200 -0.602 0.000 0.928 742 S CB 0.191 62.917 63.200 -0.790 0.000 0.781 742 S HN 0.109 nan 8.310 nan 0.000 0.518 743 F N 1.710 121.510 119.950 -0.250 0.000 2.531 743 F HA 0.351 4.877 4.527 -0.002 0.000 0.333 743 F C -1.900 173.913 175.800 0.020 0.000 1.292 743 F CA -2.140 55.755 58.000 -0.175 0.000 1.184 743 F CB 1.197 39.974 39.000 -0.373 0.000 1.426 743 F HN -0.030 nan 8.300 nan 0.000 0.559 744 P HA -0.143 nan 4.420 nan 0.000 0.219 744 P C 1.686 179.062 177.300 0.128 0.000 1.146 744 P CA 1.440 64.607 63.100 0.112 0.000 0.808 744 P CB 0.333 32.057 31.700 0.039 0.000 0.779 745 G N 0.401 109.286 108.800 0.142 0.000 2.402 745 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.216 745 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.216 745 G C 1.722 176.740 174.900 0.197 0.000 1.162 745 G CA 0.581 45.763 45.100 0.136 0.000 0.777 745 G HN 0.173 nan 8.290 nan 0.000 0.539 746 V N 0.825 120.906 119.914 0.278 0.000 2.407 746 V HA -0.139 3.979 4.120 -0.002 0.000 0.248 746 V C 2.659 178.978 176.094 0.376 0.000 1.055 746 V CA 2.169 64.693 62.300 0.373 0.000 1.049 746 V CB -0.337 31.776 31.823 0.484 0.000 0.662 746 V HN 0.431 nan 8.190 nan 0.000 0.455 747 K N 0.471 121.040 120.400 0.282 0.000 2.057 747 K HA -0.228 4.091 4.320 -0.002 0.000 0.207 747 K C 2.421 178.956 176.600 -0.108 0.000 1.049 747 K CA 1.719 57.920 56.287 -0.143 0.000 0.931 747 K CB -0.190 32.200 32.500 -0.184 0.000 0.714 747 K HN 0.351 nan 8.250 nan 0.000 0.440 748 R N -0.236 120.271 120.500 0.012 0.000 2.081 748 R HA -0.217 4.121 4.340 -0.002 0.000 0.235 748 R C 2.346 178.659 176.300 0.022 0.000 1.131 748 R CA 1.768 57.870 56.100 0.004 0.000 0.960 748 R CB -0.552 29.770 30.300 0.036 0.000 0.856 748 R HN 0.364 nan 8.270 nan 0.000 0.436 749 Y N 0.922 121.220 120.300 -0.004 0.000 2.145 749 Y HA -0.210 4.338 4.550 -0.002 0.000 0.286 749 Y C 2.117 178.010 175.900 -0.011 0.000 1.145 749 Y CA 1.809 59.911 58.100 0.002 0.000 1.148 749 Y CB -0.153 38.328 38.460 0.036 0.000 0.981 749 Y HN 0.014 nan 8.280 nan 0.000 0.507 750 M N 0.516 120.012 119.600 -0.174 0.000 2.159 750 M HA -0.195 4.284 4.480 -0.002 0.000 0.263 750 M C 1.957 178.092 176.300 -0.275 0.000 1.063 750 M CA 1.755 56.893 55.300 -0.269 0.000 1.110 750 M CB -1.124 31.447 32.600 -0.049 0.000 1.374 750 M HN 0.441 nan 8.290 nan 0.000 0.411 751 E N 0.040 120.110 120.200 -0.217 0.000 2.046 751 E HA -0.148 4.201 4.350 -0.002 0.000 0.190 751 E C 1.843 178.340 176.600 -0.173 0.000 0.982 751 E CA 0.902 57.198 56.400 -0.174 0.000 0.800 751 E CB -0.106 29.509 29.700 -0.141 0.000 0.756 751 E HN 0.474 nan 8.360 nan 0.000 0.449 752 N N 0.916 119.508 118.700 -0.179 0.000 2.188 752 N HA -0.135 4.604 4.740 -0.002 0.000 0.184 752 N C 1.784 177.167 175.510 -0.212 0.000 1.018 752 N CA 0.654 53.609 53.050 -0.158 0.000 0.858 752 N CB -0.163 38.262 38.487 -0.103 0.000 0.989 752 N HN 0.108 nan 8.380 nan 0.000 0.426 753 I N 0.492 120.847 120.570 -0.359 0.000 2.394 753 I HA -0.116 4.052 4.170 -0.002 0.000 0.251 753 I C 1.795 177.764 176.117 -0.247 0.000 1.136 753 I CA 0.715 61.799 61.300 -0.360 0.000 1.425 753 I CB -0.124 37.482 38.000 -0.655 0.000 1.079 753 I HN -0.157 nan 8.210 nan 0.000 0.425 754 V N 0.312 120.091 119.914 -0.226 0.000 2.427 754 V HA -0.289 3.829 4.120 -0.002 0.000 0.248 754 V C 2.445 178.461 176.094 -0.131 0.000 1.051 754 V CA 2.079 64.284 62.300 -0.159 0.000 1.048 754 V CB -0.743 30.999 31.823 -0.135 0.000 0.666 754 V HN 0.567 nan 8.190 nan 0.000 0.456 755 Q N 0.017 119.740 119.800 -0.129 0.000 2.084 755 Q HA -0.270 4.069 4.340 -0.002 0.000 0.202 755 Q C 2.307 178.238 176.000 -0.114 0.000 0.978 755 Q CA 2.129 57.870 55.803 -0.104 0.000 0.844 755 Q CB -0.144 28.538 28.738 -0.093 0.000 0.898 755 Q HN 0.752 nan 8.270 nan 0.000 0.426 756 E N -0.441 119.676 120.200 -0.138 0.000 2.077 756 E HA -0.205 4.143 4.350 -0.002 0.000 0.193 756 E C 1.812 178.294 176.600 -0.196 0.000 0.989 756 E CA 0.974 57.277 56.400 -0.161 0.000 0.800 756 E CB -0.147 29.453 29.700 -0.167 0.000 0.746 756 E HN 0.483 nan 8.360 nan 0.000 0.452 757 A N 1.455 124.169 122.820 -0.177 0.000 1.933 757 A HA -0.220 4.098 4.320 -0.002 0.000 0.218 757 A C 2.099 179.611 177.584 -0.120 0.000 1.175 757 A CA 1.751 53.689 52.037 -0.166 0.000 0.628 757 A CB -0.444 18.482 19.000 -0.124 0.000 0.814 757 A HN 0.197 nan 8.150 nan 0.000 0.444 758 K N -0.841 119.501 120.400 -0.097 0.000 2.062 758 K HA -0.165 4.154 4.320 -0.002 0.000 0.205 758 K C 2.339 178.901 176.600 -0.062 0.000 1.051 758 K CA 1.360 57.609 56.287 -0.063 0.000 0.941 758 K CB -0.167 32.300 32.500 -0.054 0.000 0.719 758 K HN 0.541 nan 8.250 nan 0.000 0.440 759 Q N 1.082 120.830 119.800 -0.087 0.000 2.016 759 Q HA -0.153 4.186 4.340 -0.002 0.000 0.200 759 Q C 1.550 177.495 176.000 -0.091 0.000 0.978 759 Q CA 1.673 57.428 55.803 -0.080 0.000 0.833 759 Q CB 0.140 28.825 28.738 -0.088 0.000 0.895 759 Q HN 0.273 nan 8.270 nan 0.000 0.427 760 K N -1.483 118.810 120.400 -0.180 0.000 2.186 760 K HA 0.050 4.368 4.320 -0.002 0.000 0.202 760 K C 1.153 177.679 176.600 -0.125 0.000 1.052 760 K CA 0.707 56.841 56.287 -0.255 0.000 0.965 760 K CB 0.324 32.433 32.500 -0.653 0.000 0.746 760 K HN 0.469 nan 8.250 nan 0.000 0.457 761 G N 0.779 109.522 108.800 -0.096 0.000 2.176 761 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.232 761 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.232 761 G C -0.192 174.828 174.900 0.199 0.000 0.986 761 G CA 0.424 45.596 45.100 0.120 0.000 0.643 761 G HN 0.387 nan 8.290 nan 0.000 0.522 762 Y N -2.117 118.140 120.300 -0.070 0.000 2.713 762 Y HA 0.723 5.272 4.550 -0.002 0.000 0.335 762 Y C -0.360 175.437 175.900 -0.172 0.000 1.222 762 Y CA -1.212 56.761 58.100 -0.211 0.000 1.061 762 Y CB 0.824 38.932 38.460 -0.588 0.000 1.314 762 Y HN 1.004 nan 8.280 nan 0.000 0.453 763 V N -0.788 119.115 119.914 -0.018 0.000 3.046 763 V HA 1.010 5.128 4.120 -0.002 0.000 0.316 763 V C -0.441 175.698 176.094 0.074 0.000 1.104 763 V CA -0.234 62.042 62.300 -0.040 0.000 1.006 763 V CB 1.348 33.145 31.823 -0.043 0.000 1.058 763 V HN 1.390 nan 8.190 nan 0.000 0.440 764 T N -0.874 113.715 114.554 0.058 0.000 2.901 764 T HA 0.798 5.147 4.350 -0.002 0.000 0.293 764 T C -0.023 174.719 174.700 0.070 0.000 1.084 764 T CA 0.021 62.164 62.100 0.070 0.000 1.008 764 T CB 1.684 70.601 68.868 0.081 0.000 1.170 764 T HN 1.467 nan 8.240 nan 0.000 0.509 765 T N -0.420 114.178 114.554 0.074 0.000 2.910 765 T HA 0.480 4.829 4.350 -0.002 0.000 0.279 765 T C 1.282 176.045 174.700 0.104 0.000 0.989 765 T CA -0.784 61.359 62.100 0.071 0.000 0.968 765 T CB 0.787 69.679 68.868 0.039 0.000 1.135 765 T HN 0.511 nan 8.240 nan 0.000 0.562 766 L N -0.046 121.215 121.223 0.064 0.000 2.043 766 L HA 0.120 4.459 4.340 -0.002 0.000 0.212 766 L C 1.788 178.674 176.870 0.026 0.000 1.075 766 L CA 1.751 56.623 54.840 0.053 0.000 0.752 766 L CB -0.757 41.295 42.059 -0.012 0.000 0.891 766 L HN 0.679 nan 8.230 nan 0.000 0.432 767 L N -1.147 120.073 121.223 -0.006 0.000 2.728 767 L HA 0.146 4.485 4.340 -0.002 0.000 0.235 767 L C 0.185 177.041 176.870 -0.023 0.000 1.197 767 L CA 0.030 54.811 54.840 -0.098 0.000 0.992 767 L CB -0.704 41.310 42.059 -0.075 0.000 1.263 767 L HN 0.478 nan 8.230 nan 0.000 0.484 768 H N -1.528 117.541 119.070 -0.002 0.000 3.049 768 H HA -0.159 4.395 4.556 -0.002 0.000 0.250 768 H C 1.081 176.389 175.328 -0.033 0.000 1.219 768 H CA -0.022 56.022 56.048 -0.007 0.000 1.117 768 H CB -0.729 29.030 29.762 -0.004 0.000 1.251 768 H HN 0.415 nan 8.280 nan 0.000 0.338 769 R N 1.679 122.222 120.500 0.073 0.000 2.641 769 R HA 0.370 4.709 4.340 -0.002 0.000 0.269 769 R C 0.326 176.600 176.300 -0.043 0.000 1.074 769 R CA -0.088 56.004 56.100 -0.013 0.000 1.133 769 R CB 0.796 31.080 30.300 -0.026 0.000 1.029 769 R HN 0.283 nan 8.270 nan 0.000 0.488 770 R N 1.972 122.400 120.500 -0.120 0.000 2.807 770 R HA 0.414 4.753 4.340 -0.002 0.000 0.276 770 R C -1.340 174.842 176.300 -0.197 0.000 0.979 770 R CA -0.823 55.164 56.100 -0.187 0.000 0.928 770 R CB 1.507 31.579 30.300 -0.379 0.000 1.191 770 R HN 0.642 nan 8.270 nan 0.000 0.471 771 R N 3.235 123.619 120.500 -0.193 0.000 2.512 771 R HA 0.220 4.559 4.340 -0.002 0.000 0.291 771 R C -1.677 174.552 176.300 -0.118 0.000 1.097 771 R CA -0.521 55.511 56.100 -0.112 0.000 0.940 771 R CB 0.879 31.156 30.300 -0.039 0.000 1.198 771 R HN 0.569 nan 8.270 nan 0.000 0.429 772 Y N 4.087 124.425 120.300 0.063 0.000 2.346 772 Y HA 0.240 4.789 4.550 -0.002 0.000 0.330 772 Y C 0.514 176.451 175.900 0.063 0.000 1.178 772 Y CA -0.154 58.004 58.100 0.096 0.000 1.331 772 Y CB 1.064 39.560 38.460 0.060 0.000 1.253 772 Y HN 0.400 nan 8.280 nan 0.000 0.529 773 L N 6.241 127.578 121.223 0.191 0.000 2.637 773 L HA 0.245 4.584 4.340 -0.002 0.000 0.241 773 L C -1.695 175.234 176.870 0.097 0.000 1.398 773 L CA -1.354 53.546 54.840 0.101 0.000 0.895 773 L CB 1.025 43.098 42.059 0.024 0.000 1.183 773 L HN 0.524 nan 8.230 nan 0.000 0.497 774 P HA -0.161 nan 4.420 nan 0.000 0.219 774 P C 0.455 177.789 177.300 0.058 0.000 1.146 774 P CA 1.105 64.255 63.100 0.083 0.000 0.808 774 P CB 0.445 32.189 31.700 0.074 0.000 0.779 775 D N -0.552 119.884 120.400 0.061 0.000 2.363 775 D HA -0.036 4.603 4.640 -0.002 0.000 0.226 775 D C 1.708 178.024 176.300 0.027 0.000 1.020 775 D CA 0.160 54.191 54.000 0.052 0.000 0.892 775 D CB -0.650 40.198 40.800 0.080 0.000 0.900 775 D HN 0.156 nan 8.370 nan 0.000 0.531 776 I N 0.830 121.409 120.570 0.015 0.000 2.567 776 I HA -0.197 3.972 4.170 -0.002 0.000 0.257 776 I C 1.793 177.904 176.117 -0.009 0.000 1.184 776 I CA 1.264 62.557 61.300 -0.011 0.000 1.451 776 I CB -0.100 37.887 38.000 -0.022 0.000 1.089 776 I HN -0.032 nan 8.210 nan 0.000 0.441 777 T N -3.205 111.353 114.554 0.006 0.000 3.105 777 T HA 0.199 4.548 4.350 -0.002 0.000 0.253 777 T C 0.923 175.632 174.700 0.014 0.000 1.047 777 T CA 0.072 62.176 62.100 0.007 0.000 0.944 777 T CB -0.507 68.367 68.868 0.011 0.000 1.016 777 T HN 0.206 nan 8.240 nan 0.000 0.544 778 S N 0.951 116.661 115.700 0.016 0.000 2.560 778 S HA 0.227 4.696 4.470 -0.002 0.000 0.284 778 S C 1.048 175.665 174.600 0.028 0.000 1.327 778 S CA -0.558 57.656 58.200 0.023 0.000 1.055 778 S CB 0.537 63.754 63.200 0.027 0.000 0.868 778 S HN 0.364 nan 8.310 nan 0.000 0.506 779 R N 2.563 123.084 120.500 0.035 0.000 2.320 779 R HA 0.235 4.574 4.340 -0.002 0.000 0.211 779 R C 0.342 176.682 176.300 0.067 0.000 0.931 779 R CA 0.047 56.175 56.100 0.048 0.000 1.071 779 R CB -0.218 30.106 30.300 0.039 0.000 1.025 779 R HN 0.520 nan 8.270 nan 0.000 0.495 780 N N 0.362 119.100 118.700 0.063 0.000 2.426 780 N HA -0.039 4.699 4.740 -0.002 0.000 0.257 780 N C 0.363 175.936 175.510 0.104 0.000 1.002 780 N CA -0.098 53.003 53.050 0.084 0.000 0.942 780 N CB 0.499 39.021 38.487 0.058 0.000 1.112 780 N HN -0.009 nan 8.380 nan 0.000 0.499 781 F N 5.309 125.266 119.950 0.012 0.000 2.065 781 F HA -0.270 4.256 4.527 -0.002 0.000 0.298 781 F C 1.742 177.557 175.800 0.026 0.000 1.112 781 F CA 1.743 59.752 58.000 0.014 0.000 1.212 781 F CB 0.056 39.057 39.000 0.001 0.000 0.975 781 F HN 0.541 nan 8.300 nan 0.000 0.476 782 N N 0.306 119.058 118.700 0.087 0.000 2.166 782 N HA -0.150 4.588 4.740 -0.002 0.000 0.186 782 N C 2.006 177.502 175.510 -0.023 0.000 1.019 782 N CA 1.703 54.752 53.050 -0.003 0.000 0.856 782 N CB -0.693 37.834 38.487 0.068 0.000 0.993 782 N HN 0.266 nan 8.380 nan 0.000 0.426 783 V N 1.468 121.387 119.914 0.008 0.000 2.358 783 V HA -0.159 3.960 4.120 -0.002 0.000 0.246 783 V C 2.574 178.693 176.094 0.040 0.000 1.047 783 V CA 1.400 63.727 62.300 0.045 0.000 1.035 783 V CB -0.440 31.407 31.823 0.042 0.000 0.658 783 V HN 0.272 nan 8.190 nan 0.000 0.452 784 R N 0.056 120.534 120.500 -0.038 0.000 2.075 784 R HA -0.137 4.202 4.340 -0.002 0.000 0.232 784 R C 2.495 178.722 176.300 -0.123 0.000 1.126 784 R CA 1.795 57.853 56.100 -0.070 0.000 0.963 784 R CB -0.291 29.956 30.300 -0.090 0.000 0.858 784 R HN 0.485 nan 8.270 nan 0.000 0.435 785 S N 0.421 115.969 115.700 -0.253 0.000 2.383 785 S HA -0.161 4.308 4.470 -0.002 0.000 0.229 785 S C 1.410 175.980 174.600 -0.050 0.000 1.030 785 S CA 1.321 59.367 58.200 -0.255 0.000 1.002 785 S CB -0.395 62.520 63.200 -0.475 0.000 0.829 785 S HN 0.380 nan 8.310 nan 0.000 0.467 786 F N 2.543 122.428 119.950 -0.109 0.000 2.134 786 F HA -0.047 4.478 4.527 -0.003 0.000 0.299 786 F C 2.299 178.082 175.800 -0.028 0.000 1.097 786 F CA 0.872 58.847 58.000 -0.042 0.000 1.264 786 F CB -0.798 38.189 39.000 -0.021 0.000 1.001 786 F HN 0.170 nan 8.300 nan 0.000 0.479 787 A N -0.053 122.724 122.820 -0.073 0.000 1.933 787 A HA -0.185 4.134 4.320 -0.002 0.000 0.218 787 A C 2.129 179.612 177.584 -0.169 0.000 1.175 787 A CA 1.799 53.750 52.037 -0.143 0.000 0.628 787 A CB -0.803 18.181 19.000 -0.027 0.000 0.814 787 A HN 0.553 nan 8.150 nan 0.000 0.444 788 E N -0.542 119.579 120.200 -0.133 0.000 2.106 788 E HA -0.147 4.201 4.350 -0.002 0.000 0.192 788 E C 2.292 178.818 176.600 -0.122 0.000 0.984 788 E CA 0.866 57.196 56.400 -0.117 0.000 0.806 788 E CB -0.145 29.495 29.700 -0.099 0.000 0.750 788 E HN 0.528 nan 8.360 nan 0.000 0.458 789 R N 0.093 120.505 120.500 -0.146 0.000 2.115 789 R HA -0.033 4.306 4.340 -0.002 0.000 0.230 789 R C 2.277 178.474 176.300 -0.172 0.000 1.111 789 R CA 1.090 57.120 56.100 -0.117 0.000 0.976 789 R CB -0.151 30.098 30.300 -0.084 0.000 0.870 789 R HN 0.206 nan 8.270 nan 0.000 0.445 790 M N -0.115 119.295 119.600 -0.317 0.000 2.175 790 M HA -0.081 4.398 4.480 -0.002 0.000 0.264 790 M C 2.453 178.672 176.300 -0.134 0.000 1.063 790 M CA 1.553 56.688 55.300 -0.275 0.000 1.119 790 M CB -0.162 32.215 32.600 -0.371 0.000 1.377 790 M HN 0.203 nan 8.290 nan 0.000 0.415 791 A N 0.212 122.956 122.820 -0.126 0.000 1.933 791 A HA -0.148 4.171 4.320 -0.002 0.000 0.218 791 A C 2.110 179.655 177.584 -0.066 0.000 1.175 791 A CA 1.524 53.504 52.037 -0.096 0.000 0.628 791 A CB -0.535 18.394 19.000 -0.118 0.000 0.814 791 A HN 0.460 nan 8.150 nan 0.000 0.444 792 M N -0.832 118.737 119.600 -0.052 0.000 2.156 792 M HA -0.078 4.400 4.480 -0.002 0.000 0.264 792 M C 2.165 178.554 176.300 0.149 0.000 1.067 792 M CA 1.480 56.797 55.300 0.029 0.000 1.131 792 M CB -0.373 32.254 32.600 0.045 0.000 1.368 792 M HN 0.597 nan 8.290 nan 0.000 0.416 793 N N -0.276 118.472 118.700 0.081 0.000 2.333 793 N HA -0.083 4.656 4.740 -0.002 0.000 0.178 793 N C 1.327 176.885 175.510 0.079 0.000 1.018 793 N CA 1.285 54.396 53.050 0.103 0.000 0.882 793 N CB 0.162 38.708 38.487 0.098 0.000 0.984 793 N HN 0.201 nan 8.380 nan 0.000 0.434 794 T N 1.663 116.240 114.554 0.039 0.000 2.720 794 T HA -0.037 4.312 4.350 -0.002 0.000 0.268 794 T C -1.016 173.713 174.700 0.049 0.000 1.037 794 T CA 1.149 63.266 62.100 0.029 0.000 1.144 794 T CB -0.986 67.881 68.868 -0.001 0.000 0.864 794 T HN 0.368 nan 8.240 nan 0.000 0.444 795 P HA 0.066 nan 4.420 nan 0.000 0.220 795 P C 1.214 178.547 177.300 0.055 0.000 1.148 795 P CA 0.799 63.954 63.100 0.090 0.000 0.803 795 P CB -0.125 31.680 31.700 0.174 0.000 0.782 796 I N -1.177 119.427 120.570 0.058 0.000 2.188 796 I HA -0.188 3.981 4.170 -0.002 0.000 0.237 796 I C 2.428 178.549 176.117 0.005 0.000 1.073 796 I CA 1.125 62.431 61.300 0.009 0.000 1.359 796 I CB -0.760 37.251 38.000 0.018 0.000 1.083 796 I HN -0.124 nan 8.210 nan 0.000 0.412 797 Q N 0.899 120.722 119.800 0.039 0.000 2.084 797 Q HA -0.130 4.209 4.340 -0.002 0.000 0.202 797 Q C 2.293 178.302 176.000 0.015 0.000 0.978 797 Q CA 1.871 57.696 55.803 0.037 0.000 0.844 797 Q CB -0.759 28.016 28.738 0.061 0.000 0.898 797 Q HN 0.628 nan 8.270 nan 0.000 0.426 798 G N 0.231 109.042 108.800 0.018 0.000 2.402 798 G HA2 -0.191 3.767 3.960 -0.002 0.000 0.216 798 G HA3 -0.191 3.767 3.960 -0.002 0.000 0.216 798 G C 1.649 176.549 174.900 -0.000 0.000 1.162 798 G CA 0.871 45.980 45.100 0.014 0.000 0.777 798 G HN 0.310 nan 8.290 nan 0.000 0.539 799 S N 0.948 116.642 115.700 -0.011 0.000 2.402 799 S HA 0.049 4.518 4.470 -0.002 0.000 0.229 799 S C 2.742 177.297 174.600 -0.076 0.000 1.021 799 S CA 1.015 59.194 58.200 -0.036 0.000 0.974 799 S CB -0.248 62.930 63.200 -0.037 0.000 0.800 799 S HN 0.561 nan 8.310 nan 0.000 0.484 800 A N 1.488 124.260 122.820 -0.081 0.000 1.933 800 A HA 0.138 4.457 4.320 -0.002 0.000 0.218 800 A C 2.311 179.847 177.584 -0.081 0.000 1.175 800 A CA 1.591 53.553 52.037 -0.124 0.000 0.628 800 A CB -0.912 18.029 19.000 -0.099 0.000 0.814 800 A HN 0.503 nan 8.150 nan 0.000 0.444 801 A N 0.116 122.922 122.820 -0.023 0.000 1.898 801 A HA -0.144 4.175 4.320 -0.002 0.000 0.216 801 A C 1.763 179.349 177.584 0.004 0.000 1.181 801 A CA 1.774 53.821 52.037 0.017 0.000 0.620 801 A CB -0.536 18.492 19.000 0.046 0.000 0.819 801 A HN 0.441 nan 8.150 nan 0.000 0.442 802 D N 0.267 120.659 120.400 -0.014 0.000 2.104 802 D HA -0.146 4.493 4.640 -0.002 0.000 0.194 802 D C 1.855 178.132 176.300 -0.038 0.000 0.994 802 D CA 1.330 55.317 54.000 -0.021 0.000 0.830 802 D CB -0.408 40.374 40.800 -0.031 0.000 0.959 802 D HN 0.526 nan 8.370 nan 0.000 0.452 803 I N 0.667 121.190 120.570 -0.078 0.000 2.163 803 I HA -0.223 3.946 4.170 -0.002 0.000 0.243 803 I C 2.561 178.658 176.117 -0.033 0.000 1.085 803 I CA 0.745 61.984 61.300 -0.103 0.000 1.347 803 I CB -0.125 37.736 38.000 -0.232 0.000 1.044 803 I HN -0.035 nan 8.210 nan 0.000 0.408 804 I N 0.677 121.240 120.570 -0.011 0.000 2.394 804 I HA -0.273 3.896 4.170 -0.002 0.000 0.251 804 I C 2.432 178.590 176.117 0.069 0.000 1.136 804 I CA 1.455 62.829 61.300 0.123 0.000 1.425 804 I CB -0.091 38.012 38.000 0.171 0.000 1.079 804 I HN 0.148 nan 8.210 nan 0.000 0.425 805 K N 0.536 120.952 120.400 0.028 0.000 2.057 805 K HA -0.243 4.076 4.320 -0.002 0.000 0.206 805 K C 2.164 178.766 176.600 0.003 0.000 1.050 805 K CA 1.475 57.767 56.287 0.008 0.000 0.935 805 K CB -0.133 32.371 32.500 0.007 0.000 0.715 805 K HN 0.228 nan 8.250 nan 0.000 0.439 806 K N 0.816 121.217 120.400 0.002 0.000 2.097 806 K HA -0.093 4.226 4.320 -0.002 0.000 0.205 806 K C 2.052 178.658 176.600 0.009 0.000 1.050 806 K CA 1.093 57.377 56.287 -0.004 0.000 0.938 806 K CB -0.047 32.444 32.500 -0.016 0.000 0.718 806 K HN 0.112 nan 8.250 nan 0.000 0.442 807 A N 1.130 123.974 122.820 0.040 0.000 1.933 807 A HA -0.169 4.149 4.320 -0.002 0.000 0.218 807 A C 2.090 179.687 177.584 0.020 0.000 1.175 807 A CA 1.663 53.734 52.037 0.055 0.000 0.628 807 A CB -0.454 18.631 19.000 0.143 0.000 0.814 807 A HN 0.347 nan 8.150 nan 0.000 0.444 808 M N -0.813 118.795 119.600 0.014 0.000 2.117 808 M HA -0.084 4.395 4.480 -0.002 0.000 0.262 808 M C 2.041 178.330 176.300 -0.018 0.000 1.065 808 M CA 1.483 56.777 55.300 -0.011 0.000 1.114 808 M CB -0.488 32.095 32.600 -0.028 0.000 1.361 808 M HN 0.397 nan 8.290 nan 0.000 0.408 809 I N 0.074 120.634 120.570 -0.017 0.000 2.202 809 I HA -0.284 3.885 4.170 -0.002 0.000 0.242 809 I C 1.847 177.951 176.117 -0.022 0.000 1.091 809 I CA 1.103 62.390 61.300 -0.021 0.000 1.368 809 I CB -0.556 37.431 38.000 -0.021 0.000 1.058 809 I HN 0.230 nan 8.210 nan 0.000 0.410 810 D N 0.707 121.096 120.400 -0.018 0.000 2.117 810 D HA -0.171 4.468 4.640 -0.002 0.000 0.197 810 D C 2.010 178.291 176.300 -0.031 0.000 0.987 810 D CA 1.130 55.117 54.000 -0.022 0.000 0.829 810 D CB -0.287 40.502 40.800 -0.017 0.000 0.961 810 D HN 0.168 nan 8.370 nan 0.000 0.460 811 L N 1.198 122.402 121.223 -0.031 0.000 2.027 811 L HA -0.092 4.246 4.340 -0.002 0.000 0.206 811 L C 1.700 178.543 176.870 -0.045 0.000 1.074 811 L CA 1.604 56.417 54.840 -0.045 0.000 0.745 811 L CB -0.749 41.283 42.059 -0.044 0.000 0.898 811 L HN -0.026 nan 8.230 nan 0.000 0.433 812 N N -0.228 118.453 118.700 -0.032 0.000 2.149 812 N HA -0.208 4.531 4.740 -0.002 0.000 0.188 812 N C 1.717 177.210 175.510 -0.029 0.000 1.019 812 N CA 1.515 54.550 53.050 -0.025 0.000 0.857 812 N CB 0.068 38.544 38.487 -0.018 0.000 0.997 812 N HN 0.522 nan 8.380 nan 0.000 0.426 813 A N 1.554 124.355 122.820 -0.032 0.000 1.898 813 A HA -0.043 4.276 4.320 -0.002 0.000 0.216 813 A C 2.277 179.838 177.584 -0.040 0.000 1.181 813 A CA 0.719 52.736 52.037 -0.033 0.000 0.620 813 A CB -0.266 18.715 19.000 -0.031 0.000 0.819 813 A HN 0.207 nan 8.150 nan 0.000 0.442 814 R N -0.285 120.187 120.500 -0.047 0.000 2.092 814 R HA 0.007 4.345 4.340 -0.002 0.000 0.231 814 R C 2.032 178.292 176.300 -0.068 0.000 1.119 814 R CA 1.071 57.136 56.100 -0.058 0.000 0.970 814 R CB -0.931 29.329 30.300 -0.067 0.000 0.864 814 R HN 0.584 nan 8.270 nan 0.000 0.440 815 L N 0.653 121.834 121.223 -0.069 0.000 2.131 815 L HA -0.157 4.181 4.340 -0.002 0.000 0.210 815 L C 2.658 179.494 176.870 -0.057 0.000 1.092 815 L CA 1.345 56.139 54.840 -0.077 0.000 0.759 815 L CB -0.378 41.639 42.059 -0.070 0.000 0.903 815 L HN 0.167 nan 8.230 nan 0.000 0.435 816 K N 0.542 120.917 120.400 -0.042 0.000 2.031 816 K HA -0.164 4.154 4.320 -0.002 0.000 0.205 816 K C 1.904 178.481 176.600 -0.037 0.000 1.049 816 K CA 1.267 57.534 56.287 -0.032 0.000 0.939 816 K CB 0.070 32.554 32.500 -0.026 0.000 0.717 816 K HN 0.310 nan 8.250 nan 0.000 0.438 817 E N 0.366 120.541 120.200 -0.041 0.000 2.110 817 E HA -0.167 4.182 4.350 -0.002 0.000 0.193 817 E C 1.613 178.185 176.600 -0.047 0.000 0.988 817 E CA 0.871 57.246 56.400 -0.041 0.000 0.804 817 E CB 0.083 29.758 29.700 -0.041 0.000 0.745 817 E HN 0.291 nan 8.360 nan 0.000 0.458 818 E N 0.260 120.425 120.200 -0.058 0.000 2.481 818 E HA -0.028 4.321 4.350 -0.002 0.000 0.195 818 E C 0.068 176.627 176.600 -0.067 0.000 1.047 818 E CA 0.104 56.463 56.400 -0.068 0.000 0.867 818 E CB 0.261 29.908 29.700 -0.089 0.000 0.858 818 E HN 0.097 nan 8.360 nan 0.000 0.513 819 R N -0.468 119.999 120.500 -0.055 0.000 3.651 819 R HA -0.184 4.155 4.340 -0.002 0.000 0.292 819 R C -0.162 176.101 176.300 -0.061 0.000 1.161 819 R CA 0.368 56.439 56.100 -0.047 0.000 0.787 819 R CB -3.079 27.196 30.300 -0.041 0.000 1.249 819 R HN 0.210 nan 8.270 nan 0.000 0.476 820 L N 0.387 121.562 121.223 -0.081 0.000 2.375 820 L HA 0.165 4.504 4.340 -0.002 0.000 0.271 820 L C 2.002 178.818 176.870 -0.089 0.000 1.107 820 L CA -0.165 54.605 54.840 -0.117 0.000 0.806 820 L CB 0.695 42.657 42.059 -0.162 0.000 1.146 820 L HN 0.097 nan 8.230 nan 0.000 0.447 821 Q N 1.548 121.271 119.800 -0.128 0.000 2.398 821 Q HA 0.131 4.470 4.340 -0.002 0.000 0.204 821 Q C 0.587 176.528 176.000 -0.098 0.000 0.932 821 Q CA -0.030 55.742 55.803 -0.052 0.000 0.916 821 Q CB 0.351 29.054 28.738 -0.059 0.000 1.024 821 Q HN 0.780 nan 8.270 nan 0.000 0.504 822 A N 2.293 124.951 122.820 -0.270 0.000 2.520 822 A HA 0.068 4.386 4.320 -0.002 0.000 0.235 822 A C -0.135 177.382 177.584 -0.113 0.000 1.065 822 A CA 0.273 52.114 52.037 -0.327 0.000 0.764 822 A CB -0.084 18.709 19.000 -0.345 0.000 1.002 822 A HN 0.417 nan 8.150 nan 0.000 0.502 823 H N -0.095 118.974 119.070 -0.001 0.000 3.037 823 H HA 0.518 5.072 4.556 -0.002 0.000 0.355 823 H C -1.459 173.887 175.328 0.029 0.000 1.263 823 H CA -1.139 54.925 56.048 0.026 0.000 1.129 823 H CB 0.595 30.402 29.762 0.076 0.000 1.861 823 H HN 0.492 nan 8.280 nan 0.000 0.546 824 L N 1.876 123.218 121.223 0.198 0.000 2.456 824 L HA 0.047 4.385 4.340 -0.002 0.000 0.272 824 L C 1.010 177.989 176.870 0.183 0.000 1.189 824 L CA -0.152 54.761 54.840 0.122 0.000 0.846 824 L CB 0.612 42.704 42.059 0.056 0.000 1.111 824 L HN 0.558 nan 8.230 nan 0.000 0.475 825 L N 3.211 124.500 121.223 0.110 0.000 2.588 825 L HA 0.348 4.687 4.340 -0.002 0.000 0.194 825 L C -0.024 176.910 176.870 0.107 0.000 1.070 825 L CA 0.235 55.139 54.840 0.107 0.000 0.852 825 L CB 0.435 42.512 42.059 0.030 0.000 1.199 825 L HN 0.424 nan 8.230 nan 0.000 0.486 826 L N -0.869 120.370 121.223 0.028 0.000 2.409 826 L HA 0.490 4.829 4.340 -0.002 0.000 0.255 826 L C -1.104 175.763 176.870 -0.004 0.000 1.027 826 L CA -0.569 54.327 54.840 0.094 0.000 0.834 826 L CB 2.224 44.265 42.059 -0.031 0.000 1.426 826 L HN -0.085 nan 8.230 nan 0.000 0.411 827 Q N 1.112 120.913 119.800 0.001 0.000 2.323 827 Q HA 0.502 4.841 4.340 -0.002 0.000 0.271 827 Q C -1.891 174.108 176.000 -0.002 0.000 1.048 827 Q CA -0.423 55.350 55.803 -0.050 0.000 0.792 827 Q CB 2.858 31.492 28.738 -0.173 0.000 1.280 827 Q HN 0.510 nan 8.270 nan 0.000 0.441 828 V N 6.222 126.127 119.914 -0.014 0.000 2.454 828 V HA 0.229 4.347 4.120 -0.002 0.000 0.255 828 V C 0.101 176.121 176.094 -0.123 0.000 1.009 828 V CA -0.277 61.942 62.300 -0.134 0.000 1.149 828 V CB -0.160 31.684 31.823 0.034 0.000 1.418 828 V HN 0.927 nan 8.190 nan 0.000 0.567 829 H N 0.701 119.841 119.070 0.118 0.000 4.905 829 H HA -0.198 4.357 4.556 -0.002 0.000 0.065 829 H C 0.761 176.156 175.328 0.111 0.000 0.584 829 H CA 2.191 58.300 56.048 0.102 0.000 0.984 829 H CB -0.882 28.939 29.762 0.098 0.000 0.446 829 H HN 0.626 nan 8.280 nan 0.000 0.786 830 D N 1.650 122.202 120.400 0.253 0.000 2.527 830 D HA 0.174 4.813 4.640 -0.002 0.000 0.224 830 D C 0.532 176.985 176.300 0.256 0.000 1.217 830 D CA 0.561 54.722 54.000 0.269 0.000 0.819 830 D CB 1.146 42.083 40.800 0.228 0.000 1.061 830 D HN 0.721 nan 8.370 nan 0.000 0.515 831 E N 0.172 120.470 120.200 0.164 0.000 2.367 831 E HA 0.601 4.950 4.350 -0.002 0.000 0.273 831 E C -1.142 175.498 176.600 0.067 0.000 0.903 831 E CA -0.878 55.583 56.400 0.101 0.000 0.764 831 E CB 2.072 31.842 29.700 0.116 0.000 1.252 831 E HN -0.151 nan 8.360 nan 0.000 0.446 832 L N 2.551 123.797 121.223 0.038 0.000 2.341 832 L HA 0.538 4.877 4.340 -0.002 0.000 0.278 832 L C -0.951 175.941 176.870 0.037 0.000 1.005 832 L CA -1.138 53.717 54.840 0.024 0.000 0.818 832 L CB 1.435 43.503 42.059 0.014 0.000 1.259 832 L HN 0.578 nan 8.230 nan 0.000 0.418 833 I N 3.989 124.553 120.570 -0.010 0.000 2.406 833 I HA 0.477 4.646 4.170 -0.002 0.000 0.290 833 I C -0.508 175.596 176.117 -0.021 0.000 0.999 833 I CA -0.029 61.237 61.300 -0.056 0.000 1.124 833 I CB 1.679 39.500 38.000 -0.299 0.000 1.289 833 I HN 0.301 nan 8.210 nan 0.000 0.441 834 L N 5.560 126.813 121.223 0.051 0.000 2.257 834 L HA 0.734 5.073 4.340 -0.002 0.000 0.257 834 L C -0.320 176.567 176.870 0.029 0.000 1.033 834 L CA -0.655 54.205 54.840 0.033 0.000 0.835 834 L CB 1.578 43.642 42.059 0.009 0.000 1.398 834 L HN 0.676 nan 8.230 nan 0.000 0.429 835 E N 0.253 120.424 120.200 -0.049 0.000 2.340 835 E HA 0.927 5.275 4.350 -0.002 0.000 0.273 835 E C -1.549 174.945 176.600 -0.177 0.000 0.891 835 E CA -1.069 55.337 56.400 0.010 0.000 0.757 835 E CB 2.586 32.372 29.700 0.144 0.000 1.231 835 E HN 0.755 nan 8.360 nan 0.000 0.439 836 A N 2.240 124.898 122.820 -0.270 0.000 2.566 836 A HA 0.598 4.917 4.320 -0.002 0.000 0.290 836 A C -2.985 173.903 177.584 -1.159 0.000 1.071 836 A CA -1.391 50.084 52.037 -0.936 0.000 0.658 836 A CB 1.137 19.753 19.000 -0.639 0.000 1.285 836 A HN 0.508 nan 8.150 nan 0.000 0.427 837 P HA 0.102 nan 4.420 nan 0.000 0.266 837 P C 0.482 177.479 177.300 -0.506 0.000 1.195 837 P CA 0.098 62.545 63.100 -1.088 0.000 0.768 837 P CB 0.546 31.792 31.700 -0.756 0.000 0.838 838 K N 2.218 122.460 120.400 -0.264 0.000 2.211 838 K HA -0.209 4.110 4.320 -0.002 0.000 0.204 838 K C 0.759 177.247 176.600 -0.187 0.000 1.047 838 K CA 1.735 57.925 56.287 -0.161 0.000 0.935 838 K CB -0.403 32.073 32.500 -0.039 0.000 0.728 838 K HN 0.263 nan 8.250 nan 0.000 0.452 839 E N 1.224 121.311 120.200 -0.188 0.000 2.478 839 E HA -0.076 4.272 4.350 -0.002 0.000 0.198 839 E C 0.901 177.378 176.600 -0.205 0.000 1.046 839 E CA 0.840 57.143 56.400 -0.161 0.000 0.870 839 E CB 0.170 29.793 29.700 -0.127 0.000 0.818 839 E HN 0.504 nan 8.360 nan 0.000 0.527 840 E N -0.594 119.436 120.200 -0.283 0.000 2.481 840 E HA 0.073 4.422 4.350 -0.002 0.000 0.198 840 E C 1.254 177.647 176.600 -0.346 0.000 1.027 840 E CA -0.171 56.044 56.400 -0.308 0.000 0.900 840 E CB 0.218 29.698 29.700 -0.368 0.000 0.993 840 E HN 0.192 nan 8.360 nan 0.000 0.482 841 M N 0.814 120.195 119.600 -0.365 0.000 2.080 841 M HA -0.187 4.291 4.480 -0.002 0.000 0.260 841 M C 1.835 177.939 176.300 -0.326 0.000 1.068 841 M CA 1.680 56.708 55.300 -0.454 0.000 1.109 841 M CB -0.857 31.306 32.600 -0.728 0.000 1.342 841 M HN 0.145 nan 8.290 nan 0.000 0.405 842 E N -0.411 119.656 120.200 -0.222 0.000 2.085 842 E HA -0.196 4.152 4.350 -0.002 0.000 0.194 842 E C 2.240 178.747 176.600 -0.155 0.000 0.994 842 E CA 1.014 57.338 56.400 -0.126 0.000 0.801 842 E CB -0.185 29.467 29.700 -0.080 0.000 0.743 842 E HN 0.494 nan 8.360 nan 0.000 0.453 843 R N 0.417 120.799 120.500 -0.197 0.000 2.092 843 R HA -0.070 4.269 4.340 -0.002 0.000 0.231 843 R C 2.526 178.656 176.300 -0.284 0.000 1.119 843 R CA 0.800 56.776 56.100 -0.206 0.000 0.970 843 R CB -0.268 29.913 30.300 -0.198 0.000 0.864 843 R HN 0.206 nan 8.270 nan 0.000 0.440 844 L N -0.211 120.766 121.223 -0.410 0.000 2.141 844 L HA -0.207 4.132 4.340 -0.002 0.000 0.209 844 L C 2.514 179.035 176.870 -0.581 0.000 1.094 844 L CA 0.778 55.230 54.840 -0.648 0.000 0.763 844 L CB -0.451 40.942 42.059 -1.111 0.000 0.908 844 L HN 0.305 nan 8.230 nan 0.000 0.437 845 C N -0.217 118.888 119.300 -0.326 0.000 2.410 845 C HA -0.135 4.323 4.460 -0.002 0.000 0.281 845 C C 2.889 177.631 174.990 -0.415 0.000 1.318 845 C CA 0.877 59.723 59.018 -0.286 0.000 1.776 845 C CB -1.007 26.726 27.740 -0.012 0.000 1.942 845 C HN 0.450 nan 8.230 nan 0.000 0.508 846 R N -0.933 119.412 120.500 -0.259 0.000 2.123 846 R HA 0.100 4.438 4.340 -0.002 0.000 0.209 846 R C 2.019 178.206 176.300 -0.189 0.000 1.078 846 R CA 0.371 56.358 56.100 -0.190 0.000 1.028 846 R CB -0.438 29.790 30.300 -0.120 0.000 0.939 846 R HN 0.311 nan 8.270 nan 0.000 0.463 847 L N 0.879 121.972 121.223 -0.216 0.000 2.005 847 L HA -0.088 4.251 4.340 -0.002 0.000 0.207 847 L C 1.989 178.747 176.870 -0.186 0.000 1.072 847 L CA 1.623 56.349 54.840 -0.191 0.000 0.744 847 L CB -0.356 41.578 42.059 -0.208 0.000 0.895 847 L HN -0.111 nan 8.230 nan 0.000 0.433 848 V N 0.535 120.304 119.914 -0.241 0.000 2.261 848 V HA -0.186 3.932 4.120 -0.002 0.000 0.246 848 V C -0.089 175.939 176.094 -0.111 0.000 1.047 848 V CA 2.288 64.489 62.300 -0.166 0.000 1.015 848 V CB -1.914 29.827 31.823 -0.135 0.000 0.642 848 V HN 0.356 nan 8.190 nan 0.000 0.446 849 P HA -0.151 nan 4.420 nan 0.000 0.217 849 P C 1.612 178.873 177.300 -0.065 0.000 1.150 849 P CA 1.407 64.455 63.100 -0.085 0.000 0.832 849 P CB 0.093 31.748 31.700 -0.076 0.000 0.787 850 E N -0.088 120.067 120.200 -0.074 0.000 2.051 850 E HA -0.143 4.205 4.350 -0.002 0.000 0.192 850 E C 1.844 178.421 176.600 -0.037 0.000 0.991 850 E CA 1.313 57.684 56.400 -0.048 0.000 0.799 850 E CB -1.263 28.402 29.700 -0.058 0.000 0.748 850 E HN -0.095 nan 8.360 nan 0.000 0.449 851 V N 0.615 120.497 119.914 -0.054 0.000 2.332 851 V HA -0.295 3.823 4.120 -0.002 0.000 0.248 851 V C 2.476 178.564 176.094 -0.009 0.000 1.055 851 V CA 2.215 64.493 62.300 -0.038 0.000 1.038 851 V CB -0.513 31.277 31.823 -0.054 0.000 0.651 851 V HN 0.363 nan 8.190 nan 0.000 0.450 852 M N -0.770 118.814 119.600 -0.027 0.000 2.175 852 M HA -0.159 4.319 4.480 -0.002 0.000 0.264 852 M C 2.156 178.537 176.300 0.135 0.000 1.063 852 M CA 1.704 57.009 55.300 0.008 0.000 1.119 852 M CB -0.430 32.021 32.600 -0.248 0.000 1.377 852 M HN 0.342 nan 8.290 nan 0.000 0.415 853 E N -0.137 120.103 120.200 0.066 0.000 2.208 853 E HA -0.143 4.205 4.350 -0.002 0.000 0.193 853 E C 1.610 178.248 176.600 0.063 0.000 0.988 853 E CA 0.670 57.130 56.400 0.099 0.000 0.828 853 E CB 0.139 29.869 29.700 0.050 0.000 0.763 853 E HN 0.435 nan 8.360 nan 0.000 0.478 854 Q N -0.689 119.132 119.800 0.035 0.000 2.280 854 Q HA 0.208 4.546 4.340 -0.002 0.000 0.201 854 Q C 1.613 177.617 176.000 0.007 0.000 0.890 854 Q CA 0.221 56.031 55.803 0.012 0.000 0.947 854 Q CB 0.794 29.531 28.738 -0.002 0.000 1.081 854 Q HN 0.189 nan 8.270 nan 0.000 0.502 855 A N 1.013 123.851 122.820 0.029 0.000 1.917 855 A HA -0.048 4.270 4.320 -0.002 0.000 0.219 855 A C 1.310 178.882 177.584 -0.021 0.000 1.182 855 A CA 1.838 53.884 52.037 0.015 0.000 0.633 855 A CB -0.149 18.883 19.000 0.053 0.000 0.819 855 A HN 0.242 nan 8.150 nan 0.000 0.448 856 V N -5.496 114.394 119.914 -0.041 0.000 3.159 856 V HA 0.720 4.839 4.120 -0.002 0.000 0.308 856 V C -0.698 175.348 176.094 -0.080 0.000 1.190 856 V CA -0.538 61.718 62.300 -0.073 0.000 1.037 856 V CB 1.689 33.442 31.823 -0.116 0.000 1.060 856 V HN 0.006 nan 8.190 nan 0.000 0.437 857 T N 3.870 118.372 114.554 -0.086 0.000 2.788 857 T HA 0.706 5.055 4.350 -0.002 0.000 0.296 857 T C -0.288 174.339 174.700 -0.121 0.000 1.009 857 T CA -0.201 61.856 62.100 -0.073 0.000 0.949 857 T CB 0.572 69.421 68.868 -0.031 0.000 0.946 857 T HN 0.632 nan 8.240 nan 0.000 0.453 858 L N 2.195 123.326 121.223 -0.153 0.000 2.347 858 L HA 0.563 4.902 4.340 -0.002 0.000 0.268 858 L C 1.720 178.626 176.870 0.060 0.000 1.019 858 L CA -1.197 53.503 54.840 -0.234 0.000 0.806 858 L CB 1.105 42.939 42.059 -0.375 0.000 1.339 858 L HN 0.507 nan 8.230 nan 0.000 0.463 859 R N -0.140 120.562 120.500 0.336 0.000 2.280 859 R HA 0.023 4.362 4.340 -0.002 0.000 0.207 859 R C -0.124 176.247 176.300 0.117 0.000 1.043 859 R CA 0.417 56.641 56.100 0.206 0.000 1.006 859 R CB -0.128 30.279 30.300 0.178 0.000 0.885 859 R HN 0.513 nan 8.270 nan 0.000 0.467 860 V N -2.514 117.451 119.914 0.085 0.000 3.001 860 V HA 0.573 4.692 4.120 -0.002 0.000 0.314 860 V C -2.780 173.315 176.094 0.001 0.000 1.099 860 V CA -3.244 59.089 62.300 0.056 0.000 0.989 860 V CB 2.126 33.986 31.823 0.062 0.000 1.040 860 V HN -0.198 nan 8.190 nan 0.000 0.434 861 P HA 0.456 nan 4.420 nan 0.000 0.274 861 P C -0.882 176.397 177.300 -0.036 0.000 1.237 861 P CA -0.295 62.807 63.100 0.003 0.000 0.793 861 P CB 0.505 32.225 31.700 0.034 0.000 0.977 862 L N 1.501 122.717 121.223 -0.012 0.000 2.325 862 L HA 0.500 4.838 4.340 -0.002 0.000 0.278 862 L C 0.489 177.400 176.870 0.068 0.000 1.023 862 L CA -0.597 54.249 54.840 0.009 0.000 0.811 862 L CB 1.336 43.429 42.059 0.057 0.000 1.249 862 L HN 0.295 nan 8.230 nan 0.000 0.431 863 K N 2.249 122.706 120.400 0.094 0.000 2.397 863 K HA 0.676 4.995 4.320 -0.002 0.000 0.253 863 K C -1.747 174.915 176.600 0.102 0.000 0.932 863 K CA -0.564 55.776 56.287 0.087 0.000 0.795 863 K CB 2.192 34.734 32.500 0.069 0.000 1.159 863 K HN 0.325 nan 8.250 nan 0.000 0.424 864 V N 3.640 123.584 119.914 0.050 0.000 2.531 864 V HA 0.303 4.422 4.120 -0.002 0.000 0.301 864 V C -0.810 175.308 176.094 0.040 0.000 1.034 864 V CA -0.940 61.350 62.300 -0.016 0.000 0.865 864 V CB 1.852 33.606 31.823 -0.116 0.000 0.995 864 V HN 0.825 nan 8.190 nan 0.000 0.424 865 D N 3.057 123.447 120.400 -0.017 0.000 2.217 865 D HA 0.639 5.277 4.640 -0.002 0.000 0.248 865 D C -1.001 175.190 176.300 -0.181 0.000 1.008 865 D CA 0.118 54.032 54.000 -0.144 0.000 0.914 865 D CB 2.327 43.041 40.800 -0.143 0.000 1.182 865 D HN 0.599 nan 8.370 nan 0.000 0.451 866 Y N -1.957 118.036 120.300 -0.512 0.000 2.571 866 Y HA 0.615 5.164 4.550 -0.002 0.000 0.341 866 Y C -0.927 174.382 175.900 -0.985 0.000 1.076 866 Y CA -0.932 56.792 58.100 -0.628 0.000 1.029 866 Y CB 1.628 39.838 38.460 -0.417 0.000 1.308 866 Y HN 0.289 nan 8.280 nan 0.000 0.461 867 H N 0.841 119.736 119.070 -0.292 0.000 3.017 867 H HA 0.482 5.036 4.556 -0.002 0.000 0.346 867 H C -1.798 173.396 175.328 -0.224 0.000 1.286 867 H CA -0.943 54.949 56.048 -0.260 0.000 1.120 867 H CB 2.697 32.321 29.762 -0.230 0.000 1.860 867 H HN 0.889 nan 8.280 nan 0.000 0.542 868 Y N -1.462 118.836 120.300 -0.003 0.000 2.581 868 Y HA 0.704 5.253 4.550 -0.002 0.000 0.337 868 Y C -0.507 175.445 175.900 0.086 0.000 1.108 868 Y CA -0.685 57.439 58.100 0.041 0.000 1.033 868 Y CB 1.594 40.145 38.460 0.152 0.000 1.318 868 Y HN 0.964 nan 8.280 nan 0.000 0.459 869 G N -0.004 108.967 108.800 0.285 0.000 2.489 869 G HA2 0.386 4.345 3.960 -0.002 0.000 0.305 869 G HA3 0.386 4.345 3.960 -0.002 0.000 0.305 869 G C -0.328 174.709 174.900 0.227 0.000 1.311 869 G CA -0.499 44.718 45.100 0.195 0.000 0.813 869 G HN 1.195 nan 8.290 nan 0.000 0.480 870 S N -1.565 114.246 115.700 0.185 0.000 2.481 870 S HA 0.245 4.713 4.470 -0.002 0.000 0.231 870 S C 1.156 175.871 174.600 0.192 0.000 0.996 870 S CA 1.618 59.925 58.200 0.178 0.000 0.942 870 S CB -0.371 62.914 63.200 0.142 0.000 0.768 870 S HN 1.723 nan 8.310 nan 0.000 0.520 871 T N -4.524 110.165 114.554 0.225 0.000 2.841 871 T HA 0.397 4.746 4.350 -0.002 0.000 0.296 871 T C -0.113 174.806 174.700 0.365 0.000 1.166 871 T CA -0.749 61.520 62.100 0.281 0.000 1.007 871 T CB 0.619 69.652 68.868 0.275 0.000 1.253 871 T HN 0.142 nan 8.240 nan 0.000 0.511 872 W N 0.596 122.012 121.300 0.193 0.000 2.350 872 W HA -0.103 4.555 4.660 -0.002 0.000 0.289 872 W C 1.821 178.408 176.519 0.112 0.000 1.215 872 W CA 0.967 58.392 57.345 0.134 0.000 1.236 872 W CB -1.099 28.425 29.460 0.108 0.000 1.130 872 W HN 0.904 nan 8.180 nan 0.000 0.541 873 Y N 1.574 121.977 120.300 0.171 0.000 2.181 873 Y HA -0.240 4.308 4.550 -0.002 0.000 0.288 873 Y C 2.111 178.009 175.900 -0.003 0.000 1.146 873 Y CA 2.611 60.705 58.100 -0.010 0.000 1.164 873 Y CB -0.605 37.856 38.460 0.002 0.000 0.982 873 Y HN -0.147 nan 8.280 nan 0.000 0.515 874 D N 0.260 120.732 120.400 0.119 0.000 2.347 874 D HA 0.020 4.659 4.640 -0.002 0.000 0.215 874 D C 0.930 177.198 176.300 -0.054 0.000 0.976 874 D CA 0.912 54.907 54.000 -0.008 0.000 0.884 874 D CB -0.209 40.657 40.800 0.111 0.000 0.915 874 D HN 0.358 nan 8.370 nan 0.000 0.526 875 A N 1.801 124.647 122.820 0.044 0.000 3.029 875 A HA 0.123 4.442 4.320 -0.002 0.000 0.251 875 A C 0.647 178.193 177.584 -0.064 0.000 1.749 875 A CA -0.069 52.007 52.037 0.065 0.000 1.386 875 A CB -0.801 18.325 19.000 0.210 0.000 1.043 875 A HN 0.210 nan 8.150 nan 0.000 0.638 876 K N 0.000 120.234 120.400 -0.277 0.000 2.780 876 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 876 K CA 0.000 55.913 56.287 -0.623 0.000 0.838 876 K CB 0.000 32.190 32.500 -0.517 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543