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 1njw_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 0.000 177.588 177.584 0.007 0.000 1.274 297 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 297 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 298 K N 0.431 120.837 120.400 0.009 0.000 2.591 298 K HA 0.360 4.678 4.320 -0.004 0.000 0.280 298 K C 0.105 176.731 176.600 0.043 0.000 0.964 298 K CA 1.239 57.542 56.287 0.028 0.000 1.014 298 K CB -0.463 32.045 32.500 0.013 0.000 0.877 298 K HN 0.964 nan 8.250 nan 0.000 0.502 299 M N 2.194 121.849 119.600 0.092 0.000 2.188 299 M HA 0.529 5.007 4.480 -0.004 0.000 0.357 299 M C 0.354 176.752 176.300 0.164 0.000 1.204 299 M CA -0.392 54.978 55.300 0.117 0.000 1.095 299 M CB 1.367 34.048 32.600 0.135 0.000 1.604 299 M HN 0.834 nan 8.290 nan 0.000 0.464 300 A N 4.872 127.740 122.820 0.080 0.000 2.371 300 A HA 0.681 4.998 4.320 -0.004 0.000 0.257 300 A C -0.817 176.835 177.584 0.113 0.000 1.089 300 A CA -0.202 51.835 52.037 -0.000 0.000 0.794 300 A CB -0.076 18.898 19.000 -0.044 0.000 1.029 300 A HN 0.972 nan 8.150 nan 0.000 0.488 301 F N -1.745 118.146 119.950 -0.099 0.000 2.793 301 F HA 0.526 5.049 4.527 -0.006 0.000 0.316 301 F C -0.778 174.963 175.800 -0.099 0.000 1.147 301 F CA -0.763 57.152 58.000 -0.141 0.000 0.930 301 F CB 0.612 39.556 39.000 -0.093 0.000 1.277 301 F HN 0.357 nan 8.300 nan 0.000 0.443 302 T N 3.134 117.754 114.554 0.109 0.000 2.744 302 T HA 0.463 4.811 4.350 -0.004 0.000 0.291 302 T C -0.648 174.273 174.700 0.370 0.000 0.957 302 T CA -0.259 61.911 62.100 0.117 0.000 1.002 302 T CB 1.104 70.070 68.868 0.163 0.000 0.919 302 T HN 0.691 nan 8.240 nan 0.000 0.468 303 L N 4.616 125.980 121.223 0.236 0.000 2.375 303 L HA 0.522 4.859 4.340 -0.004 0.000 0.276 303 L C 0.567 177.588 176.870 0.251 0.000 1.162 303 L CA -0.223 54.838 54.840 0.368 0.000 0.991 303 L CB -0.887 41.301 42.059 0.216 0.000 1.315 303 L HN 0.756 nan 8.230 nan 0.000 0.431 304 A N 2.542 125.516 122.820 0.257 0.000 2.477 304 A HA 0.211 4.528 4.320 -0.004 0.000 0.246 304 A C 0.741 178.370 177.584 0.074 0.000 1.078 304 A CA -0.185 51.933 52.037 0.135 0.000 0.770 304 A CB 0.130 19.185 19.000 0.091 0.000 1.011 304 A HN 0.709 nan 8.150 nan 0.000 0.494 305 D N 0.325 120.747 120.400 0.038 0.000 2.367 305 D HA 0.088 4.726 4.640 -0.004 0.000 0.207 305 D C 0.664 176.949 176.300 -0.025 0.000 1.034 305 D CA 0.656 54.664 54.000 0.015 0.000 0.861 305 D CB 0.310 41.121 40.800 0.018 0.000 0.943 305 D HN 0.770 nan 8.370 nan 0.000 0.515 306 R N -0.968 119.507 120.500 -0.042 0.000 2.710 306 R HA 0.484 4.821 4.340 -0.004 0.000 0.270 306 R C -1.327 174.909 176.300 -0.108 0.000 1.021 306 R CA -0.758 55.300 56.100 -0.071 0.000 0.889 306 R CB 1.092 31.363 30.300 -0.048 0.000 1.243 306 R HN -0.307 nan 8.270 nan 0.000 0.464 307 V N 1.849 121.684 119.914 -0.131 0.000 2.583 307 V HA 0.344 4.462 4.120 -0.004 0.000 0.287 307 V C 0.428 176.435 176.094 -0.145 0.000 1.051 307 V CA 0.141 62.342 62.300 -0.165 0.000 1.010 307 V CB 1.165 32.913 31.823 -0.125 0.000 0.988 307 V HN 0.973 nan 8.190 nan 0.000 0.478 308 T N 0.516 114.943 114.554 -0.211 0.000 2.930 308 T HA 0.437 4.784 4.350 -0.004 0.000 0.290 308 T C 0.685 175.245 174.700 -0.233 0.000 1.052 308 T CA -0.761 61.225 62.100 -0.191 0.000 1.017 308 T CB 1.995 70.752 68.868 -0.185 0.000 1.137 308 T HN 0.452 nan 8.240 nan 0.000 0.511 309 E N 0.985 121.077 120.200 -0.180 0.000 2.085 309 E HA -0.176 4.172 4.350 -0.004 0.000 0.194 309 E C 1.927 178.386 176.600 -0.235 0.000 0.994 309 E CA 1.886 58.181 56.400 -0.176 0.000 0.801 309 E CB -0.220 29.407 29.700 -0.122 0.000 0.743 309 E HN 0.971 nan 8.360 nan 0.000 0.453 310 E N -0.133 119.892 120.200 -0.292 0.000 2.409 310 E HA -0.094 4.254 4.350 -0.004 0.000 0.198 310 E C 1.730 178.154 176.600 -0.294 0.000 1.024 310 E CA 0.554 56.752 56.400 -0.338 0.000 0.861 310 E CB -0.261 29.197 29.700 -0.403 0.000 0.788 310 E HN 0.229 nan 8.360 nan 0.000 0.521 311 M N 0.570 119.844 119.600 -0.543 0.000 2.556 311 M HA 0.126 4.604 4.480 -0.004 0.000 0.245 311 M C 0.767 176.640 176.300 -0.713 0.000 1.128 311 M CA 0.593 55.444 55.300 -0.748 0.000 1.069 311 M CB 0.354 32.472 32.600 -0.803 0.000 1.469 311 M HN 0.129 nan 8.290 nan 0.000 0.494 312 L N -0.004 120.880 121.223 -0.566 0.000 3.094 312 L HA 0.445 4.783 4.340 -0.004 0.000 0.254 312 L C 0.676 177.442 176.870 -0.174 0.000 1.298 312 L CA -0.803 53.578 54.840 -0.766 0.000 1.050 312 L CB -0.410 41.371 42.059 -0.463 0.000 1.420 312 L HN 0.017 nan 8.230 nan 0.000 0.548 313 A N 0.569 123.384 122.820 -0.009 0.000 2.429 313 A HA 0.076 4.393 4.320 -0.004 0.000 0.242 313 A C 1.001 178.793 177.584 0.346 0.000 1.088 313 A CA 0.197 52.352 52.037 0.197 0.000 0.784 313 A CB 0.205 19.311 19.000 0.177 0.000 1.038 313 A HN 0.544 nan 8.150 nan 0.000 0.501 314 D N -0.725 119.833 120.400 0.263 0.000 2.363 314 D HA 0.062 4.700 4.640 -0.004 0.000 0.226 314 D C 0.294 176.725 176.300 0.219 0.000 1.020 314 D CA 0.680 54.823 54.000 0.237 0.000 0.892 314 D CB -0.029 40.858 40.800 0.144 0.000 0.900 314 D HN 0.439 nan 8.370 nan 0.000 0.531 315 K N -0.316 120.249 120.400 0.276 0.000 2.553 315 K HA 0.640 4.958 4.320 -0.004 0.000 0.250 315 K C -1.987 174.869 176.600 0.428 0.000 0.953 315 K CA -0.740 55.731 56.287 0.307 0.000 0.800 315 K CB 1.916 34.577 32.500 0.268 0.000 1.243 315 K HN 0.041 nan 8.250 nan 0.000 0.435 316 A N 1.961 125.064 122.820 0.472 0.000 2.608 316 A HA 0.747 5.065 4.320 -0.004 0.000 0.292 316 A C -1.765 176.089 177.584 0.449 0.000 1.066 316 A CA -0.576 51.720 52.037 0.432 0.000 0.676 316 A CB 1.429 20.655 19.000 0.377 0.000 1.277 316 A HN 0.721 nan 8.150 nan 0.000 0.413 317 A N 0.491 123.550 122.820 0.399 0.000 2.289 317 A HA 0.665 4.983 4.320 -0.004 0.000 0.298 317 A C -0.665 177.070 177.584 0.252 0.000 1.208 317 A CA -0.235 52.015 52.037 0.356 0.000 0.845 317 A CB 0.324 19.550 19.000 0.376 0.000 1.125 317 A HN 1.904 nan 8.150 nan 0.000 0.517 318 L N 3.440 124.807 121.223 0.239 0.000 2.365 318 L HA 0.754 5.091 4.340 -0.004 0.000 0.273 318 L C -1.111 175.857 176.870 0.163 0.000 1.000 318 L CA -0.342 54.638 54.840 0.233 0.000 0.819 318 L CB 2.235 44.460 42.059 0.278 0.000 1.284 318 L HN 0.389 nan 8.230 nan 0.000 0.418 319 V N 5.464 125.462 119.914 0.141 0.000 2.483 319 V HA 0.512 4.630 4.120 -0.004 0.000 0.297 319 V C -0.788 175.364 176.094 0.096 0.000 1.027 319 V CA -0.562 61.797 62.300 0.098 0.000 0.855 319 V CB 1.923 33.781 31.823 0.059 0.000 0.995 319 V HN 0.509 nan 8.190 nan 0.000 0.424 320 V N 3.960 123.924 119.914 0.083 0.000 2.320 320 V HA 0.330 4.448 4.120 -0.004 0.000 0.268 320 V C -0.006 176.118 176.094 0.050 0.000 1.021 320 V CA -0.640 61.702 62.300 0.070 0.000 0.813 320 V CB 1.301 33.167 31.823 0.071 0.000 1.054 320 V HN 0.929 nan 8.190 nan 0.000 0.444 321 E N 3.327 123.562 120.200 0.058 0.000 2.299 321 E HA 0.338 4.686 4.350 -0.004 0.000 0.272 321 E C -0.757 175.860 176.600 0.028 0.000 1.043 321 E CA 0.157 56.594 56.400 0.062 0.000 0.895 321 E CB 1.086 30.854 29.700 0.114 0.000 1.011 321 E HN 0.423 nan 8.360 nan 0.000 0.432 322 V N 6.492 126.411 119.914 0.010 0.000 2.349 322 V HA 0.102 4.220 4.120 -0.004 0.000 0.284 322 V C 0.830 176.896 176.094 -0.046 0.000 1.014 322 V CA -0.556 61.740 62.300 -0.007 0.000 0.826 322 V CB 1.389 33.226 31.823 0.022 0.000 1.009 322 V HN 0.689 nan 8.190 nan 0.000 0.431 323 V N 2.282 122.115 119.914 -0.134 0.000 2.407 323 V HA 0.012 4.130 4.120 -0.004 0.000 0.245 323 V C 1.281 177.284 176.094 -0.151 0.000 1.041 323 V CA 0.950 63.089 62.300 -0.269 0.000 1.040 323 V CB -0.214 31.313 31.823 -0.493 0.000 0.671 323 V HN 0.805 nan 8.190 nan 0.000 0.455 324 E N 1.008 121.153 120.200 -0.091 0.000 2.529 324 E HA -0.060 4.287 4.350 -0.004 0.000 0.259 324 E C 1.248 177.834 176.600 -0.025 0.000 0.966 324 E CA 0.201 56.567 56.400 -0.057 0.000 0.937 324 E CB 0.598 30.267 29.700 -0.053 0.000 0.923 324 E HN 0.499 nan 8.360 nan 0.000 0.468 325 E N 1.864 122.049 120.200 -0.026 0.000 2.058 325 E HA -0.183 4.165 4.350 -0.004 0.000 0.194 325 E C 0.711 177.278 176.600 -0.055 0.000 0.997 325 E CA 0.786 57.180 56.400 -0.009 0.000 0.801 325 E CB 0.081 29.773 29.700 -0.013 0.000 0.746 325 E HN 0.299 nan 8.360 nan 0.000 0.450 326 N N 0.556 119.193 118.700 -0.104 0.000 2.415 326 N HA -0.038 4.700 4.740 -0.004 0.000 0.246 326 N C 0.065 175.451 175.510 -0.207 0.000 1.078 326 N CA -0.061 52.855 53.050 -0.222 0.000 0.942 326 N CB 0.437 38.841 38.487 -0.138 0.000 1.140 326 N HN 0.074 nan 8.380 nan 0.000 0.501 327 Y N 1.389 121.608 120.300 -0.134 0.000 2.529 327 Y HA 0.240 4.788 4.550 -0.003 0.000 0.290 327 Y C 0.405 176.166 175.900 -0.232 0.000 1.177 327 Y CA -0.369 57.633 58.100 -0.164 0.000 1.305 327 Y CB -0.836 37.544 38.460 -0.133 0.000 1.047 327 Y HN 0.382 nan 8.280 nan 0.000 0.522 328 H N 2.861 121.865 119.070 -0.111 0.000 3.046 328 H HA -0.006 4.548 4.556 -0.003 0.000 0.303 328 H C 0.364 175.145 175.328 -0.911 0.000 1.002 328 H CA 1.052 56.876 56.048 -0.374 0.000 1.460 328 H CB 0.381 29.980 29.762 -0.272 0.000 1.493 328 H HN 0.353 nan 8.280 nan 0.000 0.559 329 D N 0.771 120.311 120.400 -1.433 0.000 2.811 329 D HA -0.182 4.456 4.640 -0.004 0.000 0.231 329 D C -0.177 175.901 176.300 -0.369 0.000 1.157 329 D CA 0.888 54.328 54.000 -0.933 0.000 0.716 329 D CB -0.702 39.391 40.800 -1.178 0.000 1.077 329 D HN 0.753 nan 8.370 nan 0.000 0.428 330 A N -0.167 122.518 122.820 -0.224 0.000 2.279 330 A HA 0.698 5.015 4.320 -0.004 0.000 0.303 330 A C -2.166 175.391 177.584 -0.045 0.000 1.108 330 A CA -1.029 50.944 52.037 -0.107 0.000 0.830 330 A CB 0.704 19.669 19.000 -0.058 0.000 1.106 330 A HN 0.103 nan 8.150 nan 0.000 0.493 331 P HA 0.368 nan 4.420 nan 0.000 0.275 331 P C -0.961 176.338 177.300 -0.001 0.000 1.228 331 P CA 0.064 63.157 63.100 -0.012 0.000 0.786 331 P CB 0.495 32.187 31.700 -0.014 0.000 0.927 332 I N 2.570 123.147 120.570 0.011 0.000 2.307 332 I HA 0.058 4.226 4.170 -0.004 0.000 0.289 332 I C 1.463 177.591 176.117 0.019 0.000 1.021 332 I CA -0.501 60.809 61.300 0.016 0.000 1.224 332 I CB 1.461 39.474 38.000 0.021 0.000 1.376 332 I HN 0.199 nan 8.210 nan 0.000 0.470 333 V N 3.140 123.074 119.914 0.032 0.000 3.306 333 V HA 0.460 4.578 4.120 -0.004 0.000 0.264 333 V C 0.731 176.890 176.094 0.109 0.000 1.149 333 V CA 0.756 63.096 62.300 0.066 0.000 1.143 333 V CB -0.508 31.361 31.823 0.077 0.000 0.767 333 V HN 0.817 nan 8.190 nan 0.000 0.476 334 G N -0.708 108.135 108.800 0.071 0.000 2.387 334 G HA2 0.593 4.551 3.960 -0.004 0.000 0.294 334 G HA3 0.593 4.551 3.960 -0.004 0.000 0.294 334 G C -1.740 173.109 174.900 -0.084 0.000 1.509 334 G CA -0.705 44.406 45.100 0.019 0.000 0.806 334 G HN 0.195 nan 8.290 nan 0.000 0.546 335 I N 0.230 120.596 120.570 -0.340 0.000 2.647 335 I HA 0.728 4.896 4.170 -0.004 0.000 0.295 335 I C 0.058 176.032 176.117 -0.238 0.000 1.078 335 I CA -1.039 60.131 61.300 -0.215 0.000 1.048 335 I CB 2.364 40.223 38.000 -0.234 0.000 1.239 335 I HN 0.848 nan 8.210 nan 0.000 0.421 336 A N 5.186 127.991 122.820 -0.025 0.000 2.449 336 A HA 0.886 5.204 4.320 -0.004 0.000 0.302 336 A C -1.453 176.185 177.584 0.090 0.000 1.048 336 A CA -0.529 51.527 52.037 0.031 0.000 0.708 336 A CB 1.917 20.944 19.000 0.045 0.000 1.274 336 A HN 0.383 nan 8.150 nan 0.000 0.410 337 V N 1.942 121.929 119.914 0.122 0.000 2.638 337 V HA 0.576 4.693 4.120 -0.004 0.000 0.306 337 V C -0.804 175.369 176.094 0.131 0.000 1.052 337 V CA -0.518 61.871 62.300 0.149 0.000 0.885 337 V CB 1.792 33.678 31.823 0.105 0.000 0.999 337 V HN 0.729 nan 8.190 nan 0.000 0.424 338 V N 5.407 125.312 119.914 -0.014 0.000 2.483 338 V HA 0.652 4.770 4.120 -0.004 0.000 0.297 338 V C -0.432 175.283 176.094 -0.631 0.000 1.027 338 V CA -0.470 61.664 62.300 -0.276 0.000 0.855 338 V CB 1.802 33.431 31.823 -0.324 0.000 0.995 338 V HN 1.128 nan 8.190 nan 0.000 0.424 339 N N 2.357 120.661 118.700 -0.659 0.000 3.387 339 N HA 0.270 5.008 4.740 -0.004 0.000 0.322 339 N C 0.752 175.893 175.510 -0.616 0.000 1.588 339 N CA -0.377 52.181 53.050 -0.820 0.000 0.778 339 N CB 0.586 38.944 38.487 -0.216 0.000 1.883 339 N HN 0.526 nan 8.380 nan 0.000 0.628 340 E N -1.350 118.659 120.200 -0.319 0.000 2.265 340 E HA -0.222 4.126 4.350 -0.004 0.000 0.196 340 E C 0.234 176.702 176.600 -0.220 0.000 0.996 340 E CA 1.162 57.455 56.400 -0.179 0.000 0.832 340 E CB -0.441 29.164 29.700 -0.159 0.000 0.756 340 E HN 0.543 nan 8.360 nan 0.000 0.491 341 H N 0.334 119.427 119.070 0.039 0.000 2.551 341 H HA 0.341 4.894 4.556 -0.004 0.000 0.266 341 H C 1.152 176.499 175.328 0.033 0.000 0.964 341 H CA 0.897 56.997 56.048 0.088 0.000 1.180 341 H CB 1.074 30.937 29.762 0.168 0.000 1.408 341 H HN 0.379 nan 8.280 nan 0.000 0.563 342 G N 0.386 109.171 108.800 -0.024 0.000 2.320 342 G HA2 0.059 4.017 3.960 -0.004 0.000 0.274 342 G HA3 0.059 4.017 3.960 -0.004 0.000 0.274 342 G C -1.387 173.178 174.900 -0.559 0.000 1.324 342 G CA -1.156 43.756 45.100 -0.313 0.000 0.957 342 G HN 0.126 nan 8.290 nan 0.000 0.481 343 R N -0.544 119.508 120.500 -0.748 0.000 2.494 343 R HA 0.712 5.050 4.340 -0.004 0.000 0.305 343 R C -1.422 174.450 176.300 -0.714 0.000 0.959 343 R CA -0.462 55.323 56.100 -0.524 0.000 0.864 343 R CB 1.502 31.693 30.300 -0.181 0.000 1.159 343 R HN 0.325 nan 8.270 nan 0.000 0.446 344 F N 1.676 121.655 119.950 0.048 0.000 2.588 344 F HA 0.480 5.008 4.527 0.002 0.000 0.310 344 F C -0.611 175.240 175.800 0.085 0.000 1.082 344 F CA -1.134 56.925 58.000 0.099 0.000 0.929 344 F CB 1.498 40.503 39.000 0.008 0.000 1.254 344 F HN 0.340 nan 8.300 nan 0.000 0.455 345 F N 3.334 123.402 119.950 0.195 0.000 2.507 345 F HA 0.827 5.352 4.527 -0.003 0.000 0.325 345 F C -1.782 174.051 175.800 0.054 0.000 1.116 345 F CA -0.934 57.093 58.000 0.045 0.000 0.930 345 F CB 1.116 40.115 39.000 -0.001 0.000 1.146 345 F HN 0.336 nan 8.300 nan 0.000 0.447 346 L N 6.121 126.819 121.223 -0.876 0.000 2.386 346 L HA 0.560 4.898 4.340 -0.004 0.000 0.271 346 L C -0.429 175.925 176.870 -0.859 0.000 0.993 346 L CA -1.028 53.418 54.840 -0.657 0.000 0.819 346 L CB 2.268 44.000 42.059 -0.546 0.000 1.294 346 L HN 0.575 nan 8.230 nan 0.000 0.414 347 R N 3.354 123.589 120.500 -0.442 0.000 2.438 347 R HA 0.144 4.482 4.340 -0.004 0.000 0.287 347 R C -1.494 174.659 176.300 -0.246 0.000 1.077 347 R CA -1.437 54.513 56.100 -0.249 0.000 1.034 347 R CB 0.795 31.069 30.300 -0.043 0.000 0.993 347 R HN 0.392 nan 8.270 nan 0.000 0.459 348 P HA -0.259 nan 4.420 nan 0.000 0.215 348 P C 0.827 178.071 177.300 -0.094 0.000 1.157 348 P CA 1.508 64.528 63.100 -0.133 0.000 0.868 348 P CB 0.134 31.797 31.700 -0.062 0.000 0.788 349 E N -0.178 119.987 120.200 -0.058 0.000 2.209 349 E HA -0.134 4.214 4.350 -0.004 0.000 0.196 349 E C 1.496 178.063 176.600 -0.054 0.000 0.993 349 E CA 1.509 57.888 56.400 -0.035 0.000 0.819 349 E CB -1.571 28.120 29.700 -0.015 0.000 0.745 349 E HN 0.198 nan 8.360 nan 0.000 0.477 350 T N 1.340 115.838 114.554 -0.093 0.000 2.755 350 T HA 0.153 4.501 4.350 -0.004 0.000 0.251 350 T C 2.069 176.674 174.700 -0.159 0.000 1.044 350 T CA 1.584 63.618 62.100 -0.110 0.000 1.154 350 T CB -0.395 68.397 68.868 -0.127 0.000 0.866 350 T HN 0.397 nan 8.240 nan 0.000 0.416 351 A N 1.489 124.134 122.820 -0.292 0.000 1.883 351 A HA 0.013 4.331 4.320 -0.004 0.000 0.217 351 A C 2.209 179.684 177.584 -0.181 0.000 1.186 351 A CA 1.290 53.025 52.037 -0.503 0.000 0.624 351 A CB -1.006 17.368 19.000 -1.043 0.000 0.822 351 A HN 0.486 nan 8.150 nan 0.000 0.444 352 L N -1.163 120.019 121.223 -0.068 0.000 2.551 352 L HA -0.062 4.276 4.340 -0.004 0.000 0.228 352 L C 2.450 179.362 176.870 0.071 0.000 1.153 352 L CA 0.650 55.540 54.840 0.083 0.000 0.851 352 L CB -0.323 41.772 42.059 0.059 0.000 0.959 352 L HN 0.468 nan 8.230 nan 0.000 0.451 353 A N -1.909 120.927 122.820 0.027 0.000 2.303 353 A HA -0.002 4.316 4.320 -0.004 0.000 0.217 353 A C 0.704 178.310 177.584 0.037 0.000 1.205 353 A CA -0.175 51.879 52.037 0.028 0.000 0.875 353 A CB 0.009 19.013 19.000 0.006 0.000 0.910 353 A HN 0.204 nan 8.150 nan 0.000 0.501 354 D N 0.496 120.926 120.400 0.050 0.000 2.325 354 D HA 0.214 4.852 4.640 -0.004 0.000 0.251 354 D C -1.834 174.533 176.300 0.111 0.000 1.196 354 D CA -1.623 52.415 54.000 0.064 0.000 0.866 354 D CB 1.457 42.285 40.800 0.048 0.000 1.101 354 D HN -0.027 nan 8.370 nan 0.000 0.476 355 P HA -0.173 nan 4.420 nan 0.000 0.216 355 P C 1.013 178.362 177.300 0.081 0.000 1.153 355 P CA 1.308 64.447 63.100 0.066 0.000 0.858 355 P CB 0.430 32.154 31.700 0.041 0.000 0.789 356 Q N -1.978 117.873 119.800 0.085 0.000 2.079 356 Q HA -0.109 4.229 4.340 -0.004 0.000 0.200 356 Q C 1.947 178.033 176.000 0.143 0.000 0.974 356 Q CA 1.318 57.173 55.803 0.088 0.000 0.840 356 Q CB -1.327 27.443 28.738 0.053 0.000 0.898 356 Q HN 0.231 nan 8.270 nan 0.000 0.430 357 F N -0.040 119.930 119.950 0.032 0.000 2.134 357 F HA -0.178 4.347 4.527 -0.004 0.000 0.299 357 F C 1.851 177.751 175.800 0.167 0.000 1.097 357 F CA 0.899 58.948 58.000 0.081 0.000 1.264 357 F CB -0.184 38.820 39.000 0.007 0.000 1.001 357 F HN -0.137 nan 8.300 nan 0.000 0.479 358 V N 0.371 120.392 119.914 0.179 0.000 2.343 358 V HA -0.320 3.797 4.120 -0.004 0.000 0.247 358 V C 2.707 178.796 176.094 -0.008 0.000 1.051 358 V CA 1.793 64.136 62.300 0.071 0.000 1.036 358 V CB -1.575 30.302 31.823 0.090 0.000 0.654 358 V HN 0.464 nan 8.190 nan 0.000 0.451 359 A N -0.938 121.898 122.820 0.026 0.000 1.902 359 A HA -0.281 4.036 4.320 -0.004 0.000 0.217 359 A C 1.955 179.532 177.584 -0.010 0.000 1.181 359 A CA 1.919 53.960 52.037 0.007 0.000 0.623 359 A CB -0.918 18.102 19.000 0.033 0.000 0.818 359 A HN 0.740 nan 8.150 nan 0.000 0.443 360 W N 0.722 121.910 121.300 -0.187 0.000 2.338 360 W HA -0.172 4.486 4.660 -0.003 0.000 0.304 360 W C 1.735 178.091 176.519 -0.270 0.000 1.212 360 W CA 1.905 59.114 57.345 -0.227 0.000 1.264 360 W CB -0.377 28.905 29.460 -0.298 0.000 1.142 360 W HN 0.255 nan 8.180 nan 0.000 0.512 361 L N 0.175 121.184 121.223 -0.356 0.000 2.042 361 L HA -0.125 4.213 4.340 -0.004 0.000 0.210 361 L C 2.513 179.153 176.870 -0.383 0.000 1.076 361 L CA 1.622 56.170 54.840 -0.487 0.000 0.749 361 L CB -1.402 40.478 42.059 -0.298 0.000 0.893 361 L HN 0.241 nan 8.230 nan 0.000 0.432 362 G N -1.839 106.813 108.800 -0.246 0.000 2.985 362 G HA2 -0.125 3.833 3.960 -0.004 0.000 0.209 362 G HA3 -0.125 3.833 3.960 -0.004 0.000 0.209 362 G C 0.237 175.027 174.900 -0.184 0.000 1.165 362 G CA -0.191 44.797 45.100 -0.187 0.000 0.776 362 G HN 0.160 nan 8.290 nan 0.000 0.541 363 D N 0.761 121.021 120.400 -0.233 0.000 2.365 363 D HA 0.121 4.759 4.640 -0.004 0.000 0.237 363 D C 1.273 177.443 176.300 -0.216 0.000 1.190 363 D CA -0.388 53.499 54.000 -0.187 0.000 0.867 363 D CB 1.293 41.998 40.800 -0.159 0.000 1.050 363 D HN 0.122 nan 8.370 nan 0.000 0.491 364 E N 1.944 122.054 120.200 -0.151 0.000 2.267 364 E HA -0.175 4.173 4.350 -0.004 0.000 0.197 364 E C 1.546 178.077 176.600 -0.114 0.000 0.998 364 E CA 1.616 57.936 56.400 -0.133 0.000 0.830 364 E CB 0.035 29.680 29.700 -0.092 0.000 0.751 364 E HN 0.529 nan 8.360 nan 0.000 0.491 365 T N -2.244 112.252 114.554 -0.096 0.000 3.113 365 T HA 0.079 4.427 4.350 -0.004 0.000 0.256 365 T C 0.477 175.140 174.700 -0.061 0.000 1.131 365 T CA -0.133 61.931 62.100 -0.060 0.000 1.074 365 T CB 0.073 68.923 68.868 -0.030 0.000 0.944 365 T HN -0.169 nan 8.240 nan 0.000 0.516 366 K N 2.804 123.121 120.400 -0.139 0.000 2.268 366 K HA 0.342 4.659 4.320 -0.004 0.000 0.276 366 K C -0.354 176.119 176.600 -0.212 0.000 1.080 366 K CA -0.406 55.788 56.287 -0.156 0.000 0.910 366 K CB 1.100 33.366 32.500 -0.389 0.000 1.163 366 K HN 0.180 nan 8.250 nan 0.000 0.465 367 K N 2.677 123.042 120.400 -0.058 0.000 2.276 367 K HA 0.227 4.545 4.320 -0.004 0.000 0.283 367 K C -0.055 176.553 176.600 0.015 0.000 1.044 367 K CA -0.479 55.788 56.287 -0.034 0.000 0.944 367 K CB 0.693 33.208 32.500 0.025 0.000 1.012 367 K HN 0.261 nan 8.250 nan 0.000 0.472 368 K N 0.632 121.017 120.400 -0.024 0.000 2.259 368 K HA 0.384 4.702 4.320 -0.004 0.000 0.252 368 K C -0.655 176.017 176.600 0.119 0.000 0.936 368 K CA -0.444 55.873 56.287 0.051 0.000 0.810 368 K CB 1.921 34.379 32.500 -0.070 0.000 1.143 368 K HN 0.302 nan 8.250 nan 0.000 0.427 369 S N 2.640 118.466 115.700 0.210 0.000 2.449 369 S HA 0.625 5.093 4.470 -0.004 0.000 0.310 369 S C -0.694 174.043 174.600 0.228 0.000 1.096 369 S CA -0.782 57.586 58.200 0.281 0.000 1.095 369 S CB 0.451 63.854 63.200 0.337 0.000 1.007 369 S HN 0.459 nan 8.310 nan 0.000 0.474 370 M N 1.926 121.615 119.600 0.148 0.000 2.846 370 M HA 0.592 5.070 4.480 -0.004 0.000 0.282 370 M C -1.645 174.692 176.300 0.063 0.000 1.266 370 M CA -0.747 54.614 55.300 0.103 0.000 0.766 370 M CB 1.637 34.262 32.600 0.042 0.000 1.739 370 M HN 0.592 nan 8.290 nan 0.000 0.442 371 F N 1.738 121.649 119.950 -0.065 0.000 2.499 371 F HA 0.372 4.897 4.527 -0.002 0.000 0.333 371 F C -0.491 175.259 175.800 -0.084 0.000 1.138 371 F CA -0.303 57.639 58.000 -0.098 0.000 0.945 371 F CB 0.801 39.760 39.000 -0.068 0.000 1.181 371 F HN 0.690 nan 8.300 nan 0.000 0.435 372 D N 3.413 123.534 120.400 -0.467 0.000 2.848 372 D HA -0.210 4.428 4.640 -0.004 0.000 0.245 372 D C 0.937 177.136 176.300 -0.168 0.000 1.122 372 D CA 1.011 54.832 54.000 -0.298 0.000 0.769 372 D CB -0.752 39.970 40.800 -0.131 0.000 1.025 372 D HN 0.626 nan 8.370 nan 0.000 0.423 373 S N 0.568 116.163 115.700 -0.176 0.000 2.423 373 S HA -0.212 4.256 4.470 -0.004 0.000 0.231 373 S C 1.851 176.348 174.600 -0.171 0.000 1.014 373 S CA 1.352 59.468 58.200 -0.140 0.000 0.965 373 S CB 0.049 63.173 63.200 -0.127 0.000 0.785 373 S HN 0.541 nan 8.310 nan 0.000 0.495 374 K N 1.823 122.110 120.400 -0.188 0.000 2.057 374 K HA -0.099 4.218 4.320 -0.004 0.000 0.207 374 K C 2.510 178.857 176.600 -0.421 0.000 1.049 374 K CA 1.204 57.368 56.287 -0.205 0.000 0.931 374 K CB -0.244 32.188 32.500 -0.114 0.000 0.714 374 K HN 0.461 nan 8.250 nan 0.000 0.440 375 R N 0.203 120.378 120.500 -0.542 0.000 2.083 375 R HA -0.164 4.174 4.340 -0.004 0.000 0.237 375 R C 2.099 178.066 176.300 -0.555 0.000 1.137 375 R CA 1.700 57.233 56.100 -0.944 0.000 0.951 375 R CB -0.441 29.593 30.300 -0.444 0.000 0.851 375 R HN 0.279 nan 8.270 nan 0.000 0.434 376 A N 0.654 123.308 122.820 -0.277 0.000 1.898 376 A HA -0.029 4.289 4.320 -0.004 0.000 0.216 376 A C 2.407 179.903 177.584 -0.145 0.000 1.181 376 A CA 1.530 53.477 52.037 -0.149 0.000 0.620 376 A CB -0.819 18.135 19.000 -0.076 0.000 0.819 376 A HN 0.577 nan 8.150 nan 0.000 0.442 377 A N -0.491 122.225 122.820 -0.173 0.000 1.883 377 A HA -0.036 4.282 4.320 -0.004 0.000 0.217 377 A C 2.244 179.735 177.584 -0.155 0.000 1.186 377 A CA 1.935 53.880 52.037 -0.154 0.000 0.624 377 A CB -0.980 17.933 19.000 -0.146 0.000 0.822 377 A HN 0.396 nan 8.150 nan 0.000 0.444 378 V N -0.231 119.590 119.914 -0.154 0.000 2.307 378 V HA -0.213 3.905 4.120 -0.004 0.000 0.245 378 V C 3.056 179.253 176.094 0.171 0.000 1.045 378 V CA 1.875 64.178 62.300 0.005 0.000 1.024 378 V CB -1.238 30.671 31.823 0.142 0.000 0.651 378 V HN 0.616 nan 8.190 nan 0.000 0.449 379 A N -0.366 122.500 122.820 0.078 0.000 1.933 379 A HA -0.156 4.162 4.320 -0.004 0.000 0.218 379 A C 2.213 179.875 177.584 0.129 0.000 1.175 379 A CA 1.747 53.875 52.037 0.152 0.000 0.628 379 A CB -0.502 18.523 19.000 0.041 0.000 0.814 379 A HN 0.515 nan 8.150 nan 0.000 0.444 380 L N -1.054 120.181 121.223 0.020 0.000 2.109 380 L HA -0.140 4.198 4.340 -0.004 0.000 0.207 380 L C 2.537 179.363 176.870 -0.074 0.000 1.086 380 L CA 1.350 56.185 54.840 -0.009 0.000 0.760 380 L CB -0.363 41.669 42.059 -0.044 0.000 0.910 380 L HN 0.336 nan 8.230 nan 0.000 0.437 381 K N -0.582 119.682 120.400 -0.227 0.000 2.103 381 K HA -0.215 4.103 4.320 -0.004 0.000 0.207 381 K C 1.877 178.196 176.600 -0.468 0.000 1.048 381 K CA 1.778 57.694 56.287 -0.619 0.000 0.930 381 K CB -0.246 31.470 32.500 -1.308 0.000 0.716 381 K HN 0.273 nan 8.250 nan 0.000 0.444 382 W N 1.223 122.446 121.300 -0.128 0.000 2.525 382 W HA -0.088 4.570 4.660 -0.004 0.000 0.259 382 W C 1.382 177.955 176.519 0.089 0.000 1.253 382 W CA 0.716 58.168 57.345 0.179 0.000 1.262 382 W CB 0.195 29.776 29.460 0.202 0.000 1.122 382 W HN -0.041 nan 8.180 nan 0.000 0.607 383 K N -0.394 120.131 120.400 0.208 0.000 2.372 383 K HA 0.260 4.578 4.320 -0.004 0.000 0.200 383 K C 1.225 177.868 176.600 0.071 0.000 1.022 383 K CA 0.502 56.869 56.287 0.134 0.000 1.125 383 K CB 0.421 32.982 32.500 0.102 0.000 0.855 383 K HN 0.020 nan 8.250 nan 0.000 0.524 384 G N 2.028 110.845 108.800 0.028 0.000 2.176 384 G HA2 -0.259 3.698 3.960 -0.004 0.000 0.252 384 G HA3 -0.259 3.698 3.960 -0.004 0.000 0.252 384 G C -0.070 174.812 174.900 -0.029 0.000 1.024 384 G CA -0.012 45.085 45.100 -0.005 0.000 0.755 384 G HN 0.274 nan 8.290 nan 0.000 0.507 385 I N 0.103 120.643 120.570 -0.050 0.000 2.406 385 I HA 0.380 4.548 4.170 -0.004 0.000 0.290 385 I C 0.241 176.300 176.117 -0.096 0.000 0.999 385 I CA -0.797 60.475 61.300 -0.046 0.000 1.124 385 I CB 1.934 39.932 38.000 -0.002 0.000 1.289 385 I HN 0.197 nan 8.210 nan 0.000 0.441 386 E N 6.092 126.233 120.200 -0.098 0.000 2.227 386 E HA 0.362 4.710 4.350 -0.004 0.000 0.282 386 E C -1.478 175.042 176.600 -0.133 0.000 1.015 386 E CA -0.822 55.503 56.400 -0.124 0.000 0.823 386 E CB 1.625 31.260 29.700 -0.109 0.000 1.081 386 E HN 0.396 nan 8.360 nan 0.000 0.396 387 L N 5.924 127.060 121.223 -0.145 0.000 2.280 387 L HA 0.421 4.759 4.340 -0.004 0.000 0.287 387 L C -1.470 175.297 176.870 -0.171 0.000 1.023 387 L CA -0.181 54.560 54.840 -0.166 0.000 0.819 387 L CB 0.676 42.648 42.059 -0.144 0.000 1.212 387 L HN 0.670 nan 8.230 nan 0.000 0.420 388 C N 2.342 121.516 119.300 -0.209 0.000 2.973 388 C HA 0.829 5.287 4.460 -0.004 0.000 0.329 388 C C 1.134 175.990 174.990 -0.223 0.000 1.327 388 C CA -0.052 58.855 59.018 -0.186 0.000 1.632 388 C CB 1.379 29.021 27.740 -0.164 0.000 2.098 388 C HN 1.093 nan 8.230 nan 0.000 0.469 389 G N 0.401 109.099 108.800 -0.170 0.000 2.143 389 G HA2 -0.183 3.775 3.960 -0.004 0.000 0.248 389 G HA3 -0.183 3.775 3.960 -0.004 0.000 0.248 389 G C -0.124 174.698 174.900 -0.131 0.000 0.991 389 G CA 0.308 45.310 45.100 -0.162 0.000 0.689 389 G HN 0.859 nan 8.290 nan 0.000 0.522 390 V N 1.927 121.774 119.914 -0.112 0.000 2.397 390 V HA 0.369 4.487 4.120 -0.004 0.000 0.262 390 V C 1.572 177.650 176.094 -0.027 0.000 1.047 390 V CA 0.977 63.235 62.300 -0.070 0.000 1.003 390 V CB 1.039 32.813 31.823 -0.082 0.000 1.037 390 V HN 0.807 nan 8.190 nan 0.000 0.480 391 S N 4.061 119.775 115.700 0.023 0.000 2.535 391 S HA 0.266 4.733 4.470 -0.004 0.000 0.214 391 S C -0.103 174.593 174.600 0.159 0.000 0.980 391 S CA -0.127 58.110 58.200 0.061 0.000 0.907 391 S CB 0.102 63.335 63.200 0.055 0.000 0.790 391 S HN 0.567 nan 8.310 nan 0.000 0.510 392 F N 1.629 121.561 119.950 -0.030 0.000 2.605 392 F HA 0.510 5.035 4.527 -0.003 0.000 0.320 392 F C -2.167 173.608 175.800 -0.042 0.000 1.159 392 F CA -0.966 57.017 58.000 -0.029 0.000 0.999 392 F CB 1.676 40.662 39.000 -0.023 0.000 1.258 392 F HN -0.038 nan 8.300 nan 0.000 0.464 393 D N 6.208 126.131 120.400 -0.795 0.000 2.462 393 D HA 0.160 4.798 4.640 -0.004 0.000 0.245 393 D C 0.601 176.298 176.300 -1.004 0.000 1.122 393 D CA -0.298 53.300 54.000 -0.669 0.000 0.864 393 D CB 1.761 42.319 40.800 -0.403 0.000 1.098 393 D HN 0.698 nan 8.370 nan 0.000 0.541 394 L N 5.172 125.883 121.223 -0.853 0.000 2.127 394 L HA -0.109 4.228 4.340 -0.004 0.000 0.211 394 L C 1.836 178.430 176.870 -0.460 0.000 1.089 394 L CA 1.480 55.954 54.840 -0.609 0.000 0.757 394 L CB -0.508 41.492 42.059 -0.099 0.000 0.899 394 L HN 0.526 nan 8.230 nan 0.000 0.434 395 L N -0.913 119.855 121.223 -0.759 0.000 2.017 395 L HA -0.173 4.165 4.340 -0.004 0.000 0.208 395 L C 2.233 178.904 176.870 -0.332 0.000 1.073 395 L CA 1.878 56.216 54.840 -0.837 0.000 0.745 395 L CB -0.629 40.646 42.059 -1.307 0.000 0.894 395 L HN 0.278 nan 8.230 nan 0.000 0.432 396 L N -0.591 120.442 121.223 -0.317 0.000 2.141 396 L HA -0.118 4.219 4.340 -0.004 0.000 0.209 396 L C 2.678 179.548 176.870 0.000 0.000 1.094 396 L CA 0.959 55.736 54.840 -0.104 0.000 0.763 396 L CB -0.994 40.982 42.059 -0.139 0.000 0.908 396 L HN 0.397 nan 8.230 nan 0.000 0.437 397 A N 0.346 123.097 122.820 -0.115 0.000 1.877 397 A HA -0.162 4.156 4.320 -0.004 0.000 0.216 397 A C 2.562 180.308 177.584 0.270 0.000 1.186 397 A CA 1.759 53.842 52.037 0.076 0.000 0.620 397 A CB -0.720 18.315 19.000 0.059 0.000 0.822 397 A HN 0.375 nan 8.150 nan 0.000 0.443 398 A N -1.519 121.464 122.820 0.271 0.000 1.902 398 A HA -0.116 4.202 4.320 -0.004 0.000 0.217 398 A C 2.151 179.908 177.584 0.289 0.000 1.181 398 A CA 1.751 54.037 52.037 0.414 0.000 0.623 398 A CB -0.849 18.371 19.000 0.366 0.000 0.818 398 A HN 0.763 nan 8.150 nan 0.000 0.443 399 Y N 0.643 120.996 120.300 0.089 0.000 2.128 399 Y HA -0.174 4.374 4.550 -0.004 0.000 0.284 399 Y C 1.903 177.849 175.900 0.076 0.000 1.154 399 Y CA 1.836 59.977 58.100 0.069 0.000 1.149 399 Y CB -0.386 38.084 38.460 0.016 0.000 0.976 399 Y HN 0.216 nan 8.280 nan 0.000 0.505 400 L N -0.653 120.562 121.223 -0.014 0.000 2.093 400 L HA -0.215 4.122 4.340 -0.004 0.000 0.208 400 L C 2.471 179.304 176.870 -0.062 0.000 1.085 400 L CA 0.988 55.752 54.840 -0.127 0.000 0.755 400 L CB -0.583 41.473 42.059 -0.005 0.000 0.904 400 L HN 0.280 nan 8.230 nan 0.000 0.435 401 L N -0.873 120.377 121.223 0.046 0.000 2.093 401 L HA -0.099 4.239 4.340 -0.004 0.000 0.208 401 L C 0.241 177.180 176.870 0.115 0.000 1.085 401 L CA 0.940 55.817 54.840 0.063 0.000 0.755 401 L CB -0.039 42.058 42.059 0.064 0.000 0.904 401 L HN 0.268 nan 8.230 nan 0.000 0.435 402 D N -1.945 118.513 120.400 0.097 0.000 2.349 402 D HA 0.075 4.713 4.640 -0.004 0.000 0.224 402 D C -2.059 174.302 176.300 0.102 0.000 1.323 402 D CA -0.931 53.156 54.000 0.145 0.000 0.917 402 D CB 1.051 41.928 40.800 0.128 0.000 1.524 402 D HN -0.201 nan 8.370 nan 0.000 0.505 403 P HA -0.043 nan 4.420 nan 0.000 0.225 403 P C 1.077 178.478 177.300 0.169 0.000 1.148 403 P CA 0.446 63.588 63.100 0.070 0.000 0.779 403 P CB 0.342 31.953 31.700 -0.149 0.000 0.780 404 A N -0.158 122.748 122.820 0.144 0.000 2.066 404 A HA -0.116 4.202 4.320 -0.004 0.000 0.218 404 A C 2.262 179.928 177.584 0.136 0.000 1.157 404 A CA 0.907 53.031 52.037 0.144 0.000 0.670 404 A CB -0.843 18.243 19.000 0.143 0.000 0.804 404 A HN 0.039 nan 8.150 nan 0.000 0.453 405 Q N -0.863 119.019 119.800 0.138 0.000 2.291 405 Q HA -0.024 4.313 4.340 -0.004 0.000 0.205 405 Q C 1.360 177.446 176.000 0.144 0.000 0.970 405 Q CA 0.906 56.786 55.803 0.128 0.000 0.876 405 Q CB -0.594 28.223 28.738 0.132 0.000 0.935 405 Q HN 0.950 nan 8.270 nan 0.000 0.455 406 G N 0.815 109.717 108.800 0.170 0.000 2.273 406 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.280 406 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.280 406 G C 0.104 175.107 174.900 0.172 0.000 1.047 406 G CA 0.332 45.531 45.100 0.166 0.000 0.869 406 G HN 0.220 nan 8.290 nan 0.000 0.502 407 V N 0.933 120.970 119.914 0.205 0.000 2.493 407 V HA 0.281 4.399 4.120 -0.004 0.000 0.292 407 V C 1.142 177.393 176.094 0.263 0.000 1.016 407 V CA 1.440 63.880 62.300 0.234 0.000 1.097 407 V CB 1.005 32.997 31.823 0.282 0.000 0.947 407 V HN 0.704 nan 8.190 nan 0.000 0.479 408 D N 1.407 121.963 120.400 0.260 0.000 2.539 408 D HA 0.193 4.830 4.640 -0.004 0.000 0.232 408 D C -0.217 176.269 176.300 0.310 0.000 1.256 408 D CA -0.255 53.921 54.000 0.293 0.000 0.810 408 D CB 0.398 41.309 40.800 0.185 0.000 1.090 408 D HN 0.624 nan 8.370 nan 0.000 0.519 409 D N -1.601 118.894 120.400 0.158 0.000 2.622 409 D HA 0.079 4.717 4.640 -0.004 0.000 0.255 409 D C 0.858 176.767 176.300 -0.652 0.000 1.246 409 D CA -0.888 52.926 54.000 -0.310 0.000 0.795 409 D CB 1.236 41.980 40.800 -0.094 0.000 1.369 409 D HN -0.214 nan 8.370 nan 0.000 0.425 410 V N 0.813 120.115 119.914 -1.021 0.000 2.324 410 V HA -0.221 3.897 4.120 -0.004 0.000 0.250 410 V C 2.613 178.584 176.094 -0.205 0.000 1.060 410 V CA 2.871 64.774 62.300 -0.662 0.000 1.042 410 V CB -1.127 30.400 31.823 -0.493 0.000 0.650 410 V HN 0.801 nan 8.190 nan 0.000 0.450 411 A N -0.067 122.688 122.820 -0.109 0.000 1.908 411 A HA -0.166 4.152 4.320 -0.004 0.000 0.218 411 A C 2.431 180.053 177.584 0.064 0.000 1.181 411 A CA 2.261 54.312 52.037 0.024 0.000 0.627 411 A CB -0.789 18.240 19.000 0.048 0.000 0.818 411 A HN 0.600 nan 8.150 nan 0.000 0.445 412 A N -0.335 122.518 122.820 0.055 0.000 1.930 412 A HA 0.196 4.514 4.320 -0.004 0.000 0.217 412 A C 2.493 180.178 177.584 0.168 0.000 1.175 412 A CA 2.018 54.122 52.037 0.112 0.000 0.627 412 A CB -0.940 18.134 19.000 0.124 0.000 0.815 412 A HN 1.030 nan 8.150 nan 0.000 0.443 413 A N -0.095 122.835 122.820 0.183 0.000 1.873 413 A HA 0.201 4.519 4.320 -0.004 0.000 0.215 413 A C 2.509 180.292 177.584 0.331 0.000 1.186 413 A CA 1.960 54.167 52.037 0.283 0.000 0.616 413 A CB -1.046 18.079 19.000 0.209 0.000 0.823 413 A HN 1.050 nan 8.150 nan 0.000 0.442 414 A N -0.320 122.615 122.820 0.193 0.000 1.940 414 A HA -0.193 4.125 4.320 -0.004 0.000 0.219 414 A C 2.098 179.847 177.584 0.275 0.000 1.176 414 A CA 2.005 54.176 52.037 0.223 0.000 0.631 414 A CB -0.463 18.641 19.000 0.173 0.000 0.814 414 A HN 0.523 nan 8.150 nan 0.000 0.446 415 K N -0.961 119.567 120.400 0.213 0.000 2.280 415 K HA -0.037 4.281 4.320 -0.004 0.000 0.202 415 K C 1.857 178.547 176.600 0.149 0.000 1.047 415 K CA 1.194 57.581 56.287 0.166 0.000 0.942 415 K CB -0.234 32.340 32.500 0.123 0.000 0.739 415 K HN 0.554 nan 8.250 nan 0.000 0.457 416 M N 0.156 119.866 119.600 0.183 0.000 2.279 416 M HA -0.118 4.360 4.480 -0.004 0.000 0.264 416 M C 0.787 177.119 176.300 0.054 0.000 1.062 416 M CA 1.313 56.681 55.300 0.112 0.000 1.099 416 M CB 0.307 32.990 32.600 0.138 0.000 1.394 416 M HN -0.144 nan 8.290 nan 0.000 0.426 417 K N 0.468 120.945 120.400 0.129 0.000 2.726 417 K HA 0.152 4.470 4.320 -0.004 0.000 0.209 417 K C -0.109 176.577 176.600 0.143 0.000 1.082 417 K CA 0.047 56.394 56.287 0.099 0.000 1.081 417 K CB 0.601 33.184 32.500 0.138 0.000 0.830 417 K HN 0.198 nan 8.250 nan 0.000 0.470 418 Q N -0.622 119.253 119.800 0.126 0.000 2.457 418 Q HA -0.269 4.069 4.340 -0.004 0.000 0.283 418 Q C -0.690 175.395 176.000 0.141 0.000 1.234 418 Q CA 0.958 56.824 55.803 0.106 0.000 0.877 418 Q CB -2.778 25.996 28.738 0.059 0.000 1.250 418 Q HN 0.453 nan 8.270 nan 0.000 0.481 419 Y N 0.098 120.443 120.300 0.074 0.000 2.342 419 Y HA 0.362 4.913 4.550 0.002 0.000 0.338 419 Y C 0.646 176.585 175.900 0.065 0.000 0.965 419 Y CA -0.608 57.536 58.100 0.074 0.000 1.159 419 Y CB 0.937 39.457 38.460 0.100 0.000 1.157 419 Y HN 0.043 nan 8.280 nan 0.000 0.486 420 E N 3.681 123.842 120.200 -0.064 0.000 2.812 420 E HA 0.282 4.630 4.350 -0.004 0.000 0.211 420 E C 0.114 176.686 176.600 -0.047 0.000 0.986 420 E CA -0.124 56.286 56.400 0.018 0.000 1.119 420 E CB 0.725 30.429 29.700 0.006 0.000 1.046 420 E HN 0.640 nan 8.360 nan 0.000 0.474 421 A N 1.351 124.046 122.820 -0.209 0.000 2.840 421 A HA 0.326 4.643 4.320 -0.004 0.000 0.269 421 A C -0.115 177.546 177.584 0.127 0.000 1.439 421 A CA -0.019 51.956 52.037 -0.102 0.000 1.083 421 A CB 0.074 18.915 19.000 -0.265 0.000 1.019 421 A HN 0.108 nan 8.150 nan 0.000 0.607 422 V N -0.212 119.794 119.914 0.153 0.000 2.924 422 V HA 0.424 4.542 4.120 -0.004 0.000 0.300 422 V C -0.980 175.190 176.094 0.127 0.000 1.227 422 V CA -0.956 61.441 62.300 0.162 0.000 0.954 422 V CB 1.937 33.871 31.823 0.185 0.000 1.055 422 V HN 0.696 nan 8.190 nan 0.000 0.429 423 R N 5.285 125.868 120.500 0.138 0.000 2.500 423 R HA 0.546 4.883 4.340 -0.004 0.000 0.275 423 R C -2.550 173.801 176.300 0.085 0.000 1.051 423 R CA -1.599 54.538 56.100 0.061 0.000 1.088 423 R CB 0.828 31.096 30.300 -0.053 0.000 1.063 423 R HN 0.487 nan 8.270 nan 0.000 0.511 424 P HA 0.007 nan 4.420 nan 0.000 0.271 424 P C -0.251 177.042 177.300 -0.012 0.000 1.218 424 P CA -0.129 62.988 63.100 0.029 0.000 0.780 424 P CB 0.630 32.341 31.700 0.018 0.000 0.901 425 D N 1.176 121.618 120.400 0.069 0.000 2.123 425 D HA -0.196 4.441 4.640 -0.004 0.000 0.196 425 D C 1.571 177.897 176.300 0.042 0.000 0.992 425 D CA 1.406 55.475 54.000 0.114 0.000 0.833 425 D CB -0.187 40.794 40.800 0.303 0.000 0.954 425 D HN 0.596 nan 8.370 nan 0.000 0.455 426 E N 0.354 120.590 120.200 0.060 0.000 2.118 426 E HA -0.169 4.179 4.350 -0.004 0.000 0.195 426 E C 1.938 178.522 176.600 -0.026 0.000 0.992 426 E CA 1.007 57.438 56.400 0.051 0.000 0.804 426 E CB 0.022 29.751 29.700 0.049 0.000 0.741 426 E HN 0.182 nan 8.360 nan 0.000 0.458 427 A N 0.220 122.992 122.820 -0.080 0.000 1.972 427 A HA -0.107 4.211 4.320 -0.004 0.000 0.219 427 A C 2.256 179.717 177.584 -0.205 0.000 1.169 427 A CA 1.278 53.247 52.037 -0.114 0.000 0.635 427 A CB -0.205 18.733 19.000 -0.104 0.000 0.810 427 A HN 0.221 nan 8.150 nan 0.000 0.446 428 V N -2.169 117.516 119.914 -0.382 0.000 2.500 428 V HA -0.112 4.006 4.120 -0.004 0.000 0.243 428 V C 1.995 177.799 176.094 -0.484 0.000 1.039 428 V CA 1.336 63.278 62.300 -0.597 0.000 1.053 428 V CB -0.838 30.262 31.823 -1.205 0.000 0.695 428 V HN 0.638 nan 8.190 nan 0.000 0.463 429 Y N 0.678 120.922 120.300 -0.093 0.000 2.478 429 Y HA 0.544 5.093 4.550 -0.002 0.000 0.261 429 Y C 1.550 177.435 175.900 -0.024 0.000 1.127 429 Y CA 0.079 58.156 58.100 -0.039 0.000 1.288 429 Y CB -0.401 38.053 38.460 -0.010 0.000 1.084 429 Y HN 0.319 nan 8.280 nan 0.000 0.530 430 G N 1.503 110.352 108.800 0.082 0.000 2.782 430 G HA2 -0.211 3.747 3.960 -0.004 0.000 0.228 430 G HA3 -0.211 3.747 3.960 -0.004 0.000 0.228 430 G C -0.583 174.361 174.900 0.073 0.000 1.372 430 G CA -0.269 44.864 45.100 0.055 0.000 0.862 430 G HN 0.394 nan 8.290 nan 0.000 0.547 431 K N -0.613 119.816 120.400 0.049 0.000 2.482 431 K HA 0.791 5.109 4.320 -0.004 0.000 0.257 431 K C 0.864 177.484 176.600 0.032 0.000 0.969 431 K CA -0.022 56.292 56.287 0.045 0.000 0.842 431 K CB 1.757 34.281 32.500 0.040 0.000 1.359 431 K HN 2.619 nan 8.250 nan 0.000 0.441 432 G N 1.052 109.869 108.800 0.028 0.000 2.566 432 G HA2 -0.397 3.561 3.960 -0.004 0.000 0.280 432 G HA3 -0.397 3.561 3.960 -0.004 0.000 0.280 432 G C 0.904 175.814 174.900 0.017 0.000 1.225 432 G CA 0.744 45.855 45.100 0.019 0.000 0.966 432 G HN 1.128 nan 8.290 nan 0.000 0.560 433 A N -0.502 122.326 122.820 0.013 0.000 2.125 433 A HA 0.071 4.389 4.320 -0.004 0.000 0.219 433 A C 2.105 179.698 177.584 0.014 0.000 1.156 433 A CA 2.358 54.402 52.037 0.011 0.000 0.671 433 A CB -0.324 18.681 19.000 0.009 0.000 0.794 433 A HN 0.633 nan 8.150 nan 0.000 0.459 434 K N -0.773 119.638 120.400 0.018 0.000 2.404 434 K HA 0.083 4.401 4.320 -0.004 0.000 0.194 434 K C 0.823 177.442 176.600 0.032 0.000 1.023 434 K CA -0.329 55.971 56.287 0.021 0.000 1.094 434 K CB 0.213 32.724 32.500 0.018 0.000 0.841 434 K HN 0.378 nan 8.250 nan 0.000 0.523 435 R N 1.455 121.977 120.500 0.036 0.000 2.570 435 R HA 0.178 4.516 4.340 -0.004 0.000 0.277 435 R C -0.918 175.415 176.300 0.055 0.000 1.039 435 R CA 0.293 56.426 56.100 0.055 0.000 1.065 435 R CB 0.401 30.725 30.300 0.041 0.000 0.964 435 R HN 0.116 nan 8.270 nan 0.000 0.428 436 A N 3.046 125.922 122.820 0.093 0.000 2.590 436 A HA 0.290 4.608 4.320 -0.004 0.000 0.294 436 A C -1.417 176.269 177.584 0.169 0.000 1.046 436 A CA -0.797 51.292 52.037 0.087 0.000 0.684 436 A CB 1.254 20.290 19.000 0.060 0.000 1.279 436 A HN 0.442 nan 8.150 nan 0.000 0.415 437 V N 3.860 123.856 119.914 0.136 0.000 2.455 437 V HA 0.393 4.511 4.120 -0.004 0.000 0.273 437 V C -1.280 174.903 176.094 0.150 0.000 1.045 437 V CA -0.551 61.874 62.300 0.207 0.000 0.976 437 V CB 0.519 32.416 31.823 0.125 0.000 0.993 437 V HN 0.865 nan 8.190 nan 0.000 0.475 438 P HA 0.240 nan 4.420 nan 0.000 0.275 438 P C -0.563 176.764 177.300 0.045 0.000 1.266 438 P CA -0.628 62.504 63.100 0.054 0.000 0.793 438 P CB 0.691 32.386 31.700 -0.009 0.000 1.074 439 D N 0.074 120.484 120.400 0.017 0.000 2.419 439 D HA -0.057 4.581 4.640 -0.004 0.000 0.236 439 D C 1.363 177.660 176.300 -0.005 0.000 1.165 439 D CA 0.130 54.136 54.000 0.011 0.000 0.882 439 D CB 0.371 41.171 40.800 -0.000 0.000 1.201 439 D HN 0.506 nan 8.370 nan 0.000 0.443 440 E N 1.270 121.466 120.200 -0.006 0.000 2.114 440 E HA -0.211 4.137 4.350 -0.004 0.000 0.199 440 E C -0.951 175.564 176.600 -0.141 0.000 1.008 440 E CA 1.342 57.707 56.400 -0.059 0.000 0.810 440 E CB -0.330 29.358 29.700 -0.020 0.000 0.739 440 E HN 0.292 nan 8.360 nan 0.000 0.456 441 P HA -0.152 nan 4.420 nan 0.000 0.215 441 P C 1.446 178.715 177.300 -0.051 0.000 1.153 441 P CA 1.153 64.222 63.100 -0.053 0.000 0.853 441 P CB 0.069 31.753 31.700 -0.027 0.000 0.788 442 V N -0.574 119.308 119.914 -0.053 0.000 2.307 442 V HA -0.190 3.928 4.120 -0.004 0.000 0.245 442 V C 2.378 178.432 176.094 -0.066 0.000 1.045 442 V CA 1.436 63.703 62.300 -0.055 0.000 1.024 442 V CB -1.241 30.544 31.823 -0.062 0.000 0.651 442 V HN 0.046 nan 8.190 nan 0.000 0.449 443 L N 1.124 122.308 121.223 -0.065 0.000 2.017 443 L HA -0.100 4.238 4.340 -0.004 0.000 0.208 443 L C 2.458 179.259 176.870 -0.115 0.000 1.073 443 L CA 2.474 57.307 54.840 -0.012 0.000 0.745 443 L CB -1.014 41.082 42.059 0.062 0.000 0.894 443 L HN 0.213 nan 8.230 nan 0.000 0.432 444 A N -0.613 121.947 122.820 -0.434 0.000 1.883 444 A HA -0.298 4.020 4.320 -0.004 0.000 0.217 444 A C 2.327 179.578 177.584 -0.554 0.000 1.186 444 A CA 1.899 53.423 52.037 -0.854 0.000 0.624 444 A CB -0.842 17.475 19.000 -1.138 0.000 0.822 444 A HN 0.664 nan 8.150 nan 0.000 0.444 445 E N -1.297 118.745 120.200 -0.262 0.000 2.110 445 E HA -0.283 4.065 4.350 -0.004 0.000 0.193 445 E C 1.888 178.434 176.600 -0.090 0.000 0.988 445 E CA 1.489 57.805 56.400 -0.141 0.000 0.804 445 E CB -0.271 29.474 29.700 0.076 0.000 0.745 445 E HN 0.764 nan 8.360 nan 0.000 0.458 446 H N 0.528 119.512 119.070 -0.143 0.000 2.326 446 H HA -0.042 4.512 4.556 -0.005 0.000 0.301 446 H C 1.937 177.224 175.328 -0.070 0.000 1.081 446 H CA 1.980 57.965 56.048 -0.105 0.000 1.334 446 H CB -0.274 29.404 29.762 -0.140 0.000 1.385 446 H HN 0.179 nan 8.280 nan 0.000 0.504 447 L N -0.605 120.542 121.223 -0.127 0.000 2.083 447 L HA -0.139 4.198 4.340 -0.004 0.000 0.209 447 L C 2.538 179.326 176.870 -0.135 0.000 1.083 447 L CA 1.014 55.782 54.840 -0.120 0.000 0.752 447 L CB -0.497 41.621 42.059 0.099 0.000 0.899 447 L HN 0.200 nan 8.230 nan 0.000 0.433 448 V N -0.098 119.691 119.914 -0.208 0.000 2.358 448 V HA -0.234 3.884 4.120 -0.004 0.000 0.246 448 V C 2.619 178.642 176.094 -0.118 0.000 1.047 448 V CA 1.611 63.775 62.300 -0.227 0.000 1.035 448 V CB -0.552 30.955 31.823 -0.527 0.000 0.658 448 V HN 0.403 nan 8.190 nan 0.000 0.452 449 R N -0.118 120.323 120.500 -0.098 0.000 2.120 449 R HA -0.115 4.223 4.340 -0.004 0.000 0.234 449 R C 2.381 178.667 176.300 -0.023 0.000 1.123 449 R CA 1.146 57.243 56.100 -0.005 0.000 0.975 449 R CB -0.222 30.102 30.300 0.041 0.000 0.866 449 R HN 0.499 nan 8.270 nan 0.000 0.446 450 K N 0.106 120.424 120.400 -0.138 0.000 2.103 450 K HA -0.028 4.290 4.320 -0.004 0.000 0.204 450 K C 2.126 178.691 176.600 -0.058 0.000 1.052 450 K CA 1.192 57.389 56.287 -0.150 0.000 0.945 450 K CB -0.051 32.283 32.500 -0.277 0.000 0.722 450 K HN 0.115 nan 8.250 nan 0.000 0.443 451 A N 1.679 124.482 122.820 -0.029 0.000 1.898 451 A HA -0.080 4.237 4.320 -0.004 0.000 0.216 451 A C 2.387 180.021 177.584 0.083 0.000 1.181 451 A CA 1.739 53.800 52.037 0.040 0.000 0.620 451 A CB -0.555 18.462 19.000 0.028 0.000 0.819 451 A HN 0.313 nan 8.150 nan 0.000 0.442 452 A N -0.079 122.776 122.820 0.057 0.000 1.902 452 A HA 0.158 4.476 4.320 -0.004 0.000 0.217 452 A C 2.495 180.148 177.584 0.114 0.000 1.181 452 A CA 2.079 54.190 52.037 0.123 0.000 0.623 452 A CB -0.974 18.102 19.000 0.128 0.000 0.818 452 A HN 1.013 nan 8.150 nan 0.000 0.443 453 A N -0.038 122.766 122.820 -0.026 0.000 1.877 453 A HA -0.068 4.250 4.320 -0.004 0.000 0.216 453 A C 2.121 179.575 177.584 -0.216 0.000 1.186 453 A CA 1.484 53.293 52.037 -0.379 0.000 0.620 453 A CB -0.617 18.168 19.000 -0.359 0.000 0.822 453 A HN 0.487 nan 8.150 nan 0.000 0.443 454 I N -1.645 118.906 120.570 -0.030 0.000 2.163 454 I HA -0.303 3.865 4.170 -0.004 0.000 0.243 454 I C 2.536 178.723 176.117 0.117 0.000 1.085 454 I CA 1.535 62.879 61.300 0.073 0.000 1.347 454 I CB -0.352 37.744 38.000 0.160 0.000 1.044 454 I HN 0.718 nan 8.210 nan 0.000 0.408 455 W N 2.104 123.384 121.300 -0.033 0.000 2.338 455 W HA -0.294 4.361 4.660 -0.008 0.000 0.304 455 W C 2.398 178.884 176.519 -0.055 0.000 1.212 455 W CA 2.144 59.474 57.345 -0.024 0.000 1.264 455 W CB -0.003 29.461 29.460 0.007 0.000 1.142 455 W HN 0.190 nan 8.180 nan 0.000 0.512 456 E N 0.560 120.772 120.200 0.020 0.000 2.112 456 E HA -0.143 4.205 4.350 -0.004 0.000 0.190 456 E C 2.182 178.715 176.600 -0.111 0.000 0.979 456 E CA 1.462 57.823 56.400 -0.065 0.000 0.814 456 E CB -0.849 28.875 29.700 0.041 0.000 0.762 456 E HN 0.335 nan 8.360 nan 0.000 0.460 457 L N 0.493 121.642 121.223 -0.123 0.000 2.418 457 L HA 0.099 4.437 4.340 -0.004 0.000 0.218 457 L C 2.429 179.290 176.870 -0.015 0.000 1.125 457 L CA 0.682 55.525 54.840 0.004 0.000 0.835 457 L CB -0.344 41.705 42.059 -0.016 0.000 0.953 457 L HN 0.239 nan 8.230 nan 0.000 0.454 458 E N 0.994 121.015 120.200 -0.299 0.000 2.049 458 E HA -0.327 4.021 4.350 -0.004 0.000 0.198 458 E C 2.268 178.575 176.600 -0.488 0.000 1.007 458 E CA 1.616 57.533 56.400 -0.805 0.000 0.809 458 E CB 0.112 29.270 29.700 -0.903 0.000 0.749 458 E HN 0.192 nan 8.360 nan 0.000 0.450 459 R N 0.645 120.958 120.500 -0.312 0.000 2.082 459 R HA -0.104 4.234 4.340 -0.004 0.000 0.234 459 R C -0.763 175.492 176.300 -0.076 0.000 1.136 459 R CA 2.387 58.371 56.100 -0.194 0.000 0.935 459 R CB -1.327 28.869 30.300 -0.174 0.000 0.842 459 R HN 0.324 nan 8.270 nan 0.000 0.430 460 P HA -0.145 nan 4.420 nan 0.000 0.218 460 P C 1.087 178.394 177.300 0.012 0.000 1.149 460 P CA 1.333 64.436 63.100 0.007 0.000 0.817 460 P CB -0.145 31.572 31.700 0.028 0.000 0.785 461 F N -0.107 119.836 119.950 -0.011 0.000 2.146 461 F HA -0.046 4.478 4.527 -0.006 0.000 0.298 461 F C 2.615 178.460 175.800 0.075 0.000 1.096 461 F CA 1.148 59.199 58.000 0.084 0.000 1.275 461 F CB -1.241 37.912 39.000 0.255 0.000 1.008 461 F HN -0.261 nan 8.300 nan 0.000 0.480 462 L N -0.519 120.811 121.223 0.178 0.000 2.083 462 L HA -0.220 4.118 4.340 -0.004 0.000 0.209 462 L C 1.996 178.889 176.870 0.039 0.000 1.083 462 L CA 1.093 55.994 54.840 0.101 0.000 0.752 462 L CB -0.626 41.423 42.059 -0.017 0.000 0.899 462 L HN 0.060 nan 8.230 nan 0.000 0.433 463 D N -0.202 120.199 120.400 0.001 0.000 2.117 463 D HA -0.215 4.423 4.640 -0.004 0.000 0.197 463 D C 2.053 178.338 176.300 -0.025 0.000 0.987 463 D CA 1.143 55.131 54.000 -0.021 0.000 0.829 463 D CB 0.056 40.835 40.800 -0.036 0.000 0.961 463 D HN 0.358 nan 8.370 nan 0.000 0.460 464 E N 0.133 120.308 120.200 -0.041 0.000 2.072 464 E HA -0.091 4.257 4.350 -0.004 0.000 0.190 464 E C 2.326 178.908 176.600 -0.030 0.000 0.982 464 E CA 0.271 56.635 56.400 -0.060 0.000 0.803 464 E CB -0.013 29.611 29.700 -0.126 0.000 0.755 464 E HN 0.184 nan 8.360 nan 0.000 0.453 465 L N 0.507 121.737 121.223 0.012 0.000 2.042 465 L HA -0.212 4.126 4.340 -0.004 0.000 0.210 465 L C 2.802 179.674 176.870 0.004 0.000 1.076 465 L CA 1.307 56.164 54.840 0.030 0.000 0.749 465 L CB -0.371 41.744 42.059 0.093 0.000 0.893 465 L HN 0.088 nan 8.230 nan 0.000 0.432 466 R N 0.535 121.038 120.500 0.004 0.000 2.081 466 R HA -0.144 4.194 4.340 -0.004 0.000 0.235 466 R C 2.322 178.604 176.300 -0.030 0.000 1.131 466 R CA 1.566 57.659 56.100 -0.012 0.000 0.960 466 R CB -0.325 29.969 30.300 -0.010 0.000 0.856 466 R HN 0.187 nan 8.270 nan 0.000 0.436 467 R N -0.160 120.321 120.500 -0.031 0.000 2.105 467 R HA -0.046 4.292 4.340 -0.004 0.000 0.239 467 R C 1.227 177.498 176.300 -0.048 0.000 1.135 467 R CA 1.533 57.612 56.100 -0.036 0.000 0.967 467 R CB -0.321 29.960 30.300 -0.033 0.000 0.861 467 R HN 0.273 nan 8.270 nan 0.000 0.442 468 N N 0.770 119.436 118.700 -0.057 0.000 2.461 468 N HA -0.047 4.691 4.740 -0.004 0.000 0.188 468 N C -0.469 174.978 175.510 -0.105 0.000 1.134 468 N CA 0.398 53.398 53.050 -0.085 0.000 0.878 468 N CB 0.209 38.640 38.487 -0.093 0.000 0.972 468 N HN 0.193 nan 8.380 nan 0.000 0.456 469 E N -0.648 119.490 120.200 -0.103 0.000 2.637 469 E HA -0.265 4.083 4.350 -0.004 0.000 0.265 469 E C -0.229 176.308 176.600 -0.105 0.000 1.073 469 E CA 0.297 56.600 56.400 -0.162 0.000 0.778 469 E CB -1.528 27.963 29.700 -0.349 0.000 1.362 469 E HN 0.545 nan 8.360 nan 0.000 0.413 470 Q N -0.452 119.332 119.800 -0.028 0.000 2.194 470 Q HA -0.012 4.326 4.340 -0.004 0.000 0.214 470 Q C 1.400 177.426 176.000 0.044 0.000 0.838 470 Q CA 0.280 56.100 55.803 0.028 0.000 0.972 470 Q CB 0.463 29.211 28.738 0.016 0.000 1.131 470 Q HN 0.365 nan 8.270 nan 0.000 0.498 471 D N 1.177 121.597 120.400 0.034 0.000 2.117 471 D HA -0.219 4.419 4.640 -0.004 0.000 0.197 471 D C 1.540 177.871 176.300 0.052 0.000 0.987 471 D CA 1.044 55.074 54.000 0.049 0.000 0.829 471 D CB -0.126 40.694 40.800 0.034 0.000 0.961 471 D HN 0.175 nan 8.370 nan 0.000 0.460 472 R N -0.278 120.251 120.500 0.049 0.000 2.115 472 R HA 0.010 4.348 4.340 -0.004 0.000 0.230 472 R C 2.483 178.812 176.300 0.050 0.000 1.111 472 R CA 0.346 56.475 56.100 0.048 0.000 0.976 472 R CB -0.396 29.936 30.300 0.054 0.000 0.870 472 R HN 0.157 nan 8.270 nan 0.000 0.445 473 L N 1.167 122.427 121.223 0.062 0.000 2.042 473 L HA -0.164 4.174 4.340 -0.004 0.000 0.210 473 L C 2.011 178.906 176.870 0.041 0.000 1.076 473 L CA 1.525 56.396 54.840 0.051 0.000 0.749 473 L CB -0.462 41.632 42.059 0.059 0.000 0.893 473 L HN 0.128 nan 8.230 nan 0.000 0.432 474 L N -1.565 119.687 121.223 0.048 0.000 2.007 474 L HA -0.077 4.261 4.340 -0.004 0.000 0.205 474 L C 2.282 179.168 176.870 0.027 0.000 1.073 474 L CA 1.807 56.671 54.840 0.040 0.000 0.744 474 L CB -0.672 41.425 42.059 0.063 0.000 0.898 474 L HN 0.052 nan 8.230 nan 0.000 0.435 475 V N -0.381 119.557 119.914 0.040 0.000 2.515 475 V HA -0.186 3.931 4.120 -0.004 0.000 0.250 475 V C 2.209 178.312 176.094 0.015 0.000 1.058 475 V CA 1.963 64.282 62.300 0.031 0.000 1.064 475 V CB -0.644 31.205 31.823 0.042 0.000 0.675 475 V HN 0.511 nan 8.190 nan 0.000 0.461 476 E N -1.174 119.036 120.200 0.017 0.000 2.431 476 E HA 0.125 4.473 4.350 -0.004 0.000 0.200 476 E C 1.581 178.183 176.600 0.003 0.000 0.995 476 E CA 0.161 56.566 56.400 0.008 0.000 0.915 476 E CB 0.648 30.355 29.700 0.012 0.000 0.930 476 E HN 0.442 nan 8.360 nan 0.000 0.496 477 L N 0.188 121.415 121.223 0.007 0.000 2.777 477 L HA 0.116 4.454 4.340 -0.004 0.000 0.172 477 L C 1.797 178.667 176.870 0.002 0.000 1.179 477 L CA 0.576 55.418 54.840 0.003 0.000 0.859 477 L CB 0.218 42.282 42.059 0.007 0.000 1.269 477 L HN -0.208 nan 8.230 nan 0.000 0.511 478 E N 0.120 120.326 120.200 0.011 0.000 2.051 478 E HA -0.249 4.099 4.350 -0.004 0.000 0.192 478 E C 2.025 178.612 176.600 -0.022 0.000 0.991 478 E CA 1.569 57.974 56.400 0.008 0.000 0.799 478 E CB -0.268 29.453 29.700 0.036 0.000 0.748 478 E HN 0.610 nan 8.360 nan 0.000 0.449 479 Q N -0.226 119.556 119.800 -0.030 0.000 2.050 479 Q HA -0.099 4.239 4.340 -0.004 0.000 0.202 479 Q C -0.525 175.450 176.000 -0.042 0.000 0.980 479 Q CA 1.408 57.181 55.803 -0.050 0.000 0.840 479 Q CB -0.830 27.878 28.738 -0.048 0.000 0.898 479 Q HN 0.230 nan 8.270 nan 0.000 0.424 480 P HA -0.156 nan 4.420 nan 0.000 0.217 480 P C 1.258 178.540 177.300 -0.030 0.000 1.150 480 P CA 0.844 63.926 63.100 -0.030 0.000 0.832 480 P CB 0.007 31.694 31.700 -0.022 0.000 0.787 481 L N -0.590 120.616 121.223 -0.028 0.000 2.083 481 L HA -0.122 4.216 4.340 -0.004 0.000 0.209 481 L C 2.380 179.231 176.870 -0.032 0.000 1.083 481 L CA 1.870 56.692 54.840 -0.031 0.000 0.752 481 L CB -1.495 40.547 42.059 -0.028 0.000 0.899 481 L HN -0.098 nan 8.230 nan 0.000 0.433 482 S N -1.320 114.358 115.700 -0.036 0.000 2.370 482 S HA -0.215 4.253 4.470 -0.004 0.000 0.226 482 S C 2.096 176.680 174.600 -0.027 0.000 1.033 482 S CA 1.771 59.948 58.200 -0.037 0.000 1.011 482 S CB -0.370 62.789 63.200 -0.068 0.000 0.852 482 S HN 0.679 nan 8.310 nan 0.000 0.457 483 S N 1.036 116.714 115.700 -0.037 0.000 2.383 483 S HA 0.069 4.536 4.470 -0.004 0.000 0.227 483 S C 1.732 176.324 174.600 -0.013 0.000 1.026 483 S CA 1.262 59.441 58.200 -0.035 0.000 0.981 483 S CB -0.366 62.806 63.200 -0.046 0.000 0.818 483 S HN 0.537 nan 8.310 nan 0.000 0.472 484 I N 1.321 121.884 120.570 -0.012 0.000 2.252 484 I HA -0.142 4.026 4.170 -0.004 0.000 0.245 484 I C 1.989 178.120 176.117 0.022 0.000 1.102 484 I CA 1.005 62.303 61.300 -0.003 0.000 1.385 484 I CB -0.364 37.623 38.000 -0.021 0.000 1.064 484 I HN 0.226 nan 8.210 nan 0.000 0.414 485 L N 0.573 121.809 121.223 0.022 0.000 2.083 485 L HA -0.195 4.143 4.340 -0.004 0.000 0.209 485 L C 2.884 179.875 176.870 0.201 0.000 1.083 485 L CA 1.237 56.132 54.840 0.091 0.000 0.752 485 L CB -0.765 41.345 42.059 0.085 0.000 0.899 485 L HN 0.244 nan 8.230 nan 0.000 0.433 486 A N 0.177 123.077 122.820 0.133 0.000 1.883 486 A HA -0.235 4.083 4.320 -0.004 0.000 0.217 486 A C 2.168 179.863 177.584 0.185 0.000 1.186 486 A CA 1.791 53.916 52.037 0.147 0.000 0.624 486 A CB -0.447 18.570 19.000 0.028 0.000 0.822 486 A HN 0.467 nan 8.150 nan 0.000 0.444 487 E N -0.693 119.577 120.200 0.117 0.000 2.077 487 E HA -0.194 4.154 4.350 -0.004 0.000 0.193 487 E C 2.109 178.800 176.600 0.151 0.000 0.989 487 E CA 1.531 58.003 56.400 0.120 0.000 0.800 487 E CB -0.298 29.430 29.700 0.047 0.000 0.746 487 E HN 0.682 nan 8.360 nan 0.000 0.452 488 M N 0.600 120.295 119.600 0.157 0.000 2.086 488 M HA -0.179 4.298 4.480 -0.004 0.000 0.261 488 M C 2.100 178.554 176.300 0.257 0.000 1.067 488 M CA 1.554 56.960 55.300 0.177 0.000 1.116 488 M CB -0.196 32.535 32.600 0.218 0.000 1.348 488 M HN 0.044 nan 8.290 nan 0.000 0.407 489 E N -0.102 120.328 120.200 0.383 0.000 2.051 489 E HA -0.211 4.137 4.350 -0.004 0.000 0.192 489 E C 1.839 178.758 176.600 0.533 0.000 0.991 489 E CA 1.362 58.042 56.400 0.466 0.000 0.799 489 E CB -0.308 29.763 29.700 0.618 0.000 0.748 489 E HN 0.387 nan 8.360 nan 0.000 0.449 490 F N 1.607 121.746 119.950 0.316 0.000 2.134 490 F HA -0.162 4.364 4.527 -0.003 0.000 0.299 490 F C 2.207 178.029 175.800 0.037 0.000 1.097 490 F CA 1.336 59.403 58.000 0.112 0.000 1.264 490 F CB -0.458 38.492 39.000 -0.083 0.000 1.001 490 F HN -0.055 nan 8.300 nan 0.000 0.479 491 A N 0.226 123.008 122.820 -0.064 0.000 1.877 491 A HA 0.253 4.571 4.320 -0.004 0.000 0.216 491 A C 1.732 179.188 177.584 -0.215 0.000 1.186 491 A CA 1.508 53.400 52.037 -0.242 0.000 0.620 491 A CB -1.566 17.279 19.000 -0.258 0.000 0.822 491 A HN 1.083 nan 8.150 nan 0.000 0.443 492 G N -2.766 105.939 108.800 -0.157 0.000 2.828 492 G HA2 0.033 3.991 3.960 -0.004 0.000 0.463 492 G HA3 0.033 3.991 3.960 -0.004 0.000 0.463 492 G C -0.512 174.250 174.900 -0.231 0.000 1.394 492 G CA -0.336 44.521 45.100 -0.404 0.000 0.862 492 G HN 1.203 nan 8.290 nan 0.000 0.540 493 V N 0.573 120.358 119.914 -0.215 0.000 2.531 493 V HA 0.578 4.696 4.120 -0.004 0.000 0.301 493 V C 0.412 176.466 176.094 -0.067 0.000 1.034 493 V CA -0.750 61.519 62.300 -0.052 0.000 0.865 493 V CB 1.706 33.580 31.823 0.085 0.000 0.995 493 V HN 0.994 nan 8.190 nan 0.000 0.424 494 K N 3.438 123.811 120.400 -0.045 0.000 2.401 494 K HA 0.447 4.765 4.320 -0.004 0.000 0.278 494 K C -0.872 175.684 176.600 -0.075 0.000 1.018 494 K CA 0.202 56.450 56.287 -0.066 0.000 0.981 494 K CB 0.940 33.408 32.500 -0.052 0.000 0.933 494 K HN 0.456 nan 8.250 nan 0.000 0.477 495 V N 3.819 123.654 119.914 -0.132 0.000 2.604 495 V HA 0.168 4.286 4.120 -0.004 0.000 0.305 495 V C -0.693 175.313 176.094 -0.148 0.000 1.043 495 V CA -0.927 61.240 62.300 -0.222 0.000 0.888 495 V CB 1.745 33.389 31.823 -0.297 0.000 0.995 495 V HN 0.805 nan 8.190 nan 0.000 0.429 496 D N 3.146 123.462 120.400 -0.141 0.000 2.483 496 D HA 0.080 4.718 4.640 -0.004 0.000 0.220 496 D C 1.522 177.764 176.300 -0.097 0.000 1.173 496 D CA 0.287 54.235 54.000 -0.087 0.000 0.964 496 D CB 1.145 41.911 40.800 -0.057 0.000 1.046 496 D HN 0.761 nan 8.370 nan 0.000 0.517 497 T N 0.763 115.265 114.554 -0.087 0.000 2.833 497 T HA -0.183 4.165 4.350 -0.004 0.000 0.269 497 T C 1.688 176.354 174.700 -0.057 0.000 1.054 497 T CA 0.914 62.968 62.100 -0.076 0.000 1.135 497 T CB 0.010 68.841 68.868 -0.062 0.000 0.869 497 T HN 0.269 nan 8.240 nan 0.000 0.466 498 K N 0.635 121.007 120.400 -0.047 0.000 2.057 498 K HA -0.046 4.272 4.320 -0.004 0.000 0.207 498 K C 2.642 179.219 176.600 -0.040 0.000 1.049 498 K CA 1.377 57.641 56.287 -0.037 0.000 0.931 498 K CB -0.207 32.275 32.500 -0.031 0.000 0.714 498 K HN 0.172 nan 8.250 nan 0.000 0.440 499 R N 1.715 122.188 120.500 -0.046 0.000 2.083 499 R HA -0.065 4.273 4.340 -0.004 0.000 0.237 499 R C 1.997 178.267 176.300 -0.049 0.000 1.137 499 R CA 1.415 57.486 56.100 -0.048 0.000 0.951 499 R CB -0.789 29.480 30.300 -0.052 0.000 0.851 499 R HN 0.164 nan 8.270 nan 0.000 0.434 500 L N 0.114 121.303 121.223 -0.057 0.000 2.046 500 L HA -0.164 4.174 4.340 -0.004 0.000 0.208 500 L C 2.317 179.166 176.870 -0.035 0.000 1.077 500 L CA 1.826 56.637 54.840 -0.048 0.000 0.747 500 L CB -0.416 41.605 42.059 -0.064 0.000 0.896 500 L HN 0.361 nan 8.230 nan 0.000 0.432 501 E N -0.787 119.392 120.200 -0.036 0.000 2.110 501 E HA -0.230 4.117 4.350 -0.004 0.000 0.193 501 E C 2.266 178.851 176.600 -0.026 0.000 0.988 501 E CA 0.849 57.232 56.400 -0.029 0.000 0.804 501 E CB 0.116 29.799 29.700 -0.028 0.000 0.745 501 E HN 0.418 nan 8.360 nan 0.000 0.458 502 Q N -0.017 119.766 119.800 -0.029 0.000 2.046 502 Q HA -0.087 4.251 4.340 -0.004 0.000 0.200 502 Q C 2.137 178.120 176.000 -0.027 0.000 0.975 502 Q CA 1.276 57.063 55.803 -0.027 0.000 0.836 502 Q CB -0.318 28.402 28.738 -0.029 0.000 0.896 502 Q HN 0.392 nan 8.270 nan 0.000 0.428 503 M N -0.100 119.481 119.600 -0.031 0.000 2.108 503 M HA -0.124 4.354 4.480 -0.004 0.000 0.261 503 M C 2.126 178.411 176.300 -0.025 0.000 1.066 503 M CA 1.726 57.008 55.300 -0.029 0.000 1.107 503 M CB -0.740 31.842 32.600 -0.029 0.000 1.356 503 M HN 0.334 nan 8.290 nan 0.000 0.406 504 G N 0.702 109.488 108.800 -0.023 0.000 2.440 504 G HA2 -0.224 3.734 3.960 -0.004 0.000 0.218 504 G HA3 -0.224 3.734 3.960 -0.004 0.000 0.218 504 G C 1.597 176.482 174.900 -0.024 0.000 1.154 504 G CA 0.934 46.020 45.100 -0.022 0.000 0.767 504 G HN 0.425 nan 8.290 nan 0.000 0.552 505 K N 0.302 120.689 120.400 -0.022 0.000 2.057 505 K HA -0.041 4.276 4.320 -0.004 0.000 0.206 505 K C 2.432 179.020 176.600 -0.019 0.000 1.050 505 K CA 1.284 57.560 56.287 -0.019 0.000 0.935 505 K CB -0.161 32.329 32.500 -0.016 0.000 0.715 505 K HN 0.370 nan 8.250 nan 0.000 0.439 506 E N 0.720 120.908 120.200 -0.021 0.000 2.058 506 E HA -0.166 4.182 4.350 -0.004 0.000 0.194 506 E C 2.027 178.613 176.600 -0.024 0.000 0.997 506 E CA 0.848 57.237 56.400 -0.019 0.000 0.801 506 E CB 0.034 29.722 29.700 -0.020 0.000 0.746 506 E HN 0.109 nan 8.360 nan 0.000 0.450 507 L N 0.503 121.706 121.223 -0.033 0.000 2.012 507 L HA -0.185 4.153 4.340 -0.004 0.000 0.210 507 L C 2.518 179.355 176.870 -0.055 0.000 1.073 507 L CA 1.722 56.532 54.840 -0.051 0.000 0.748 507 L CB -1.415 40.610 42.059 -0.057 0.000 0.891 507 L HN 0.148 nan 8.230 nan 0.000 0.431 508 A N -0.414 122.382 122.820 -0.040 0.000 1.948 508 A HA -0.277 4.041 4.320 -0.004 0.000 0.220 508 A C 2.318 179.891 177.584 -0.020 0.000 1.177 508 A CA 2.027 54.046 52.037 -0.031 0.000 0.636 508 A CB -0.538 18.449 19.000 -0.021 0.000 0.815 508 A HN 0.528 nan 8.150 nan 0.000 0.449 509 E N -0.575 119.615 120.200 -0.016 0.000 2.072 509 E HA -0.223 4.125 4.350 -0.004 0.000 0.191 509 E C 2.191 178.789 176.600 -0.004 0.000 0.985 509 E CA 1.241 57.638 56.400 -0.006 0.000 0.801 509 E CB -0.144 29.554 29.700 -0.003 0.000 0.750 509 E HN 0.773 nan 8.360 nan 0.000 0.452 510 Q N 0.090 119.882 119.800 -0.015 0.000 2.167 510 Q HA -0.102 4.236 4.340 -0.004 0.000 0.202 510 Q C 2.365 178.344 176.000 -0.034 0.000 0.970 510 Q CA 0.923 56.718 55.803 -0.014 0.000 0.855 510 Q CB 0.055 28.779 28.738 -0.023 0.000 0.911 510 Q HN 0.349 nan 8.270 nan 0.000 0.438 511 L N -0.259 120.932 121.223 -0.055 0.000 2.093 511 L HA -0.110 4.228 4.340 -0.004 0.000 0.208 511 L C 2.355 179.248 176.870 0.038 0.000 1.085 511 L CA 1.048 55.867 54.840 -0.035 0.000 0.755 511 L CB -0.701 41.308 42.059 -0.084 0.000 0.904 511 L HN 0.338 nan 8.230 nan 0.000 0.435 512 G N -0.746 108.066 108.800 0.020 0.000 2.446 512 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.217 512 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.217 512 G C 1.553 176.462 174.900 0.015 0.000 1.168 512 G CA 1.363 46.479 45.100 0.026 0.000 0.771 512 G HN 0.275 nan 8.290 nan 0.000 0.551 513 T N 0.836 115.399 114.554 0.016 0.000 2.708 513 T HA -0.123 4.224 4.350 -0.004 0.000 0.266 513 T C 2.564 177.269 174.700 0.008 0.000 1.037 513 T CA 1.401 63.511 62.100 0.017 0.000 1.146 513 T CB -0.356 68.529 68.868 0.029 0.000 0.865 513 T HN 0.059 nan 8.240 nan 0.000 0.435 514 V N 1.373 121.302 119.914 0.024 0.000 2.343 514 V HA -0.165 3.953 4.120 -0.004 0.000 0.247 514 V C 2.524 178.559 176.094 -0.098 0.000 1.051 514 V CA 1.739 64.056 62.300 0.028 0.000 1.036 514 V CB -0.605 31.273 31.823 0.092 0.000 0.654 514 V HN 0.537 nan 8.190 nan 0.000 0.451 515 E N -0.231 119.890 120.200 -0.133 0.000 2.058 515 E HA -0.276 4.072 4.350 -0.004 0.000 0.194 515 E C 2.357 178.581 176.600 -0.626 0.000 0.997 515 E CA 1.445 57.569 56.400 -0.461 0.000 0.801 515 E CB -0.031 29.520 29.700 -0.249 0.000 0.746 515 E HN 0.526 nan 8.360 nan 0.000 0.450 516 Q N 0.196 119.858 119.800 -0.230 0.000 2.124 516 Q HA -0.174 4.164 4.340 -0.004 0.000 0.202 516 Q C 2.186 178.150 176.000 -0.060 0.000 0.977 516 Q CA 1.163 56.934 55.803 -0.054 0.000 0.850 516 Q CB -0.409 28.353 28.738 0.039 0.000 0.901 516 Q HN 0.088 nan 8.270 nan 0.000 0.429 517 R N 1.010 121.462 120.500 -0.080 0.000 2.096 517 R HA -0.018 4.319 4.340 -0.004 0.000 0.235 517 R C 2.097 178.367 176.300 -0.050 0.000 1.127 517 R CA 1.095 57.176 56.100 -0.032 0.000 0.968 517 R CB -0.616 29.679 30.300 -0.009 0.000 0.861 517 R HN 0.276 nan 8.270 nan 0.000 0.440 518 I N -0.320 120.141 120.570 -0.181 0.000 2.226 518 I HA -0.285 3.883 4.170 -0.004 0.000 0.245 518 I C 1.592 177.700 176.117 -0.015 0.000 1.100 518 I CA 1.228 62.425 61.300 -0.172 0.000 1.374 518 I CB -0.370 37.381 38.000 -0.415 0.000 1.057 518 I HN 0.146 nan 8.210 nan 0.000 0.413 519 Y N 0.799 121.108 120.300 0.014 0.000 2.242 519 Y HA -0.226 4.321 4.550 -0.004 0.000 0.291 519 Y C 2.563 178.504 175.900 0.068 0.000 1.137 519 Y CA 1.121 59.264 58.100 0.072 0.000 1.181 519 Y CB -0.918 37.549 38.460 0.011 0.000 0.989 519 Y HN 0.285 nan 8.280 nan 0.000 0.527 520 E N 0.459 120.768 120.200 0.183 0.000 2.051 520 E HA -0.170 4.178 4.350 -0.004 0.000 0.192 520 E C 1.887 178.553 176.600 0.110 0.000 0.991 520 E CA 1.256 57.729 56.400 0.121 0.000 0.799 520 E CB -0.312 29.436 29.700 0.081 0.000 0.748 520 E HN 0.451 nan 8.360 nan 0.000 0.449 521 L N 0.145 121.435 121.223 0.112 0.000 2.217 521 L HA -0.018 4.320 4.340 -0.004 0.000 0.211 521 L C 2.484 179.423 176.870 0.116 0.000 1.107 521 L CA 0.772 55.698 54.840 0.143 0.000 0.783 521 L CB -0.221 41.939 42.059 0.168 0.000 0.919 521 L HN 0.213 nan 8.230 nan 0.000 0.442 522 A N -0.523 122.358 122.820 0.102 0.000 2.123 522 A HA 0.255 4.573 4.320 -0.004 0.000 0.214 522 A C 1.853 179.454 177.584 0.029 0.000 1.152 522 A CA 0.831 52.885 52.037 0.029 0.000 0.728 522 A CB -0.280 18.792 19.000 0.120 0.000 0.814 522 A HN 0.478 nan 8.150 nan 0.000 0.464 523 G N -1.056 107.793 108.800 0.082 0.000 2.143 523 G HA2 -0.238 3.720 3.960 -0.004 0.000 0.249 523 G HA3 -0.238 3.720 3.960 -0.004 0.000 0.249 523 G C -0.039 174.893 174.900 0.054 0.000 0.981 523 G CA 0.826 45.959 45.100 0.056 0.000 0.665 523 G HN 1.597 nan 8.290 nan 0.000 0.528 524 Q N -1.577 118.286 119.800 0.105 0.000 2.776 524 Q HA 0.565 4.903 4.340 -0.004 0.000 0.289 524 Q C -1.368 174.735 176.000 0.172 0.000 0.912 524 Q CA -1.029 54.823 55.803 0.081 0.000 0.789 524 Q CB 0.708 29.463 28.738 0.028 0.000 1.498 524 Q HN 0.283 nan 8.270 nan 0.000 0.408 525 E N 1.057 121.221 120.200 -0.061 0.000 2.277 525 E HA 0.656 5.003 4.350 -0.004 0.000 0.274 525 E C -0.895 175.713 176.600 0.012 0.000 1.022 525 E CA -0.431 55.691 56.400 -0.464 0.000 0.853 525 E CB 0.986 30.176 29.700 -0.850 0.000 1.086 525 E HN 0.451 nan 8.360 nan 0.000 0.397 526 F N -0.914 118.944 119.950 -0.154 0.000 2.773 526 F HA 0.323 4.848 4.527 -0.004 0.000 0.314 526 F C -0.997 174.862 175.800 0.097 0.000 1.160 526 F CA -1.460 56.537 58.000 -0.006 0.000 0.920 526 F CB 0.758 39.773 39.000 0.024 0.000 1.323 526 F HN 0.158 nan 8.300 nan 0.000 0.457 527 N N 2.190 120.927 118.700 0.061 0.000 2.415 527 N HA 0.223 4.961 4.740 -0.004 0.000 0.250 527 N C 0.945 176.408 175.510 -0.078 0.000 1.127 527 N CA 0.065 53.099 53.050 -0.027 0.000 0.945 527 N CB 0.436 38.957 38.487 0.057 0.000 1.196 527 N HN 0.802 nan 8.380 nan 0.000 0.499 528 I N 2.119 122.474 120.570 -0.359 0.000 2.264 528 I HA -0.260 3.908 4.170 -0.004 0.000 0.248 528 I C 1.276 177.404 176.117 0.018 0.000 1.111 528 I CA 0.778 61.881 61.300 -0.328 0.000 1.382 528 I CB -0.136 37.419 38.000 -0.741 0.000 1.060 528 I HN 0.410 nan 8.210 nan 0.000 0.418 529 N N 0.721 119.473 118.700 0.087 0.000 2.501 529 N HA -0.034 4.703 4.740 -0.004 0.000 0.195 529 N C 0.435 176.011 175.510 0.110 0.000 1.213 529 N CA 0.353 53.485 53.050 0.135 0.000 0.864 529 N CB 0.110 38.676 38.487 0.132 0.000 0.999 529 N HN 0.101 nan 8.380 nan 0.000 0.454 530 S N 0.977 116.750 115.700 0.121 0.000 2.528 530 S HA 0.359 4.826 4.470 -0.004 0.000 0.303 530 S C -1.755 172.937 174.600 0.154 0.000 1.123 530 S CA -1.734 56.541 58.200 0.126 0.000 1.138 530 S CB 1.199 64.475 63.200 0.128 0.000 0.984 530 S HN -0.118 nan 8.310 nan 0.000 0.474 531 P HA -0.166 nan 4.420 nan 0.000 0.217 531 P C 1.257 178.668 177.300 0.186 0.000 1.148 531 P CA 1.035 64.233 63.100 0.163 0.000 0.834 531 P CB 0.213 31.995 31.700 0.137 0.000 0.783 532 K N -0.237 120.255 120.400 0.153 0.000 2.025 532 K HA -0.164 4.154 4.320 -0.004 0.000 0.207 532 K C 2.164 178.862 176.600 0.163 0.000 1.049 532 K CA 1.362 57.739 56.287 0.150 0.000 0.933 532 K CB -0.233 32.327 32.500 0.100 0.000 0.714 532 K HN 0.100 nan 8.250 nan 0.000 0.438 533 Q N 0.271 120.167 119.800 0.160 0.000 2.119 533 Q HA -0.143 4.195 4.340 -0.004 0.000 0.201 533 Q C 2.128 178.208 176.000 0.133 0.000 0.972 533 Q CA 1.063 56.963 55.803 0.162 0.000 0.847 533 Q CB -0.051 28.831 28.738 0.240 0.000 0.903 533 Q HN 0.242 nan 8.270 nan 0.000 0.433 534 L N 0.372 121.726 121.223 0.218 0.000 2.093 534 L HA -0.013 4.325 4.340 -0.004 0.000 0.208 534 L C 2.054 178.926 176.870 0.003 0.000 1.085 534 L CA 2.107 57.052 54.840 0.174 0.000 0.755 534 L CB -0.918 41.287 42.059 0.243 0.000 0.904 534 L HN 0.146 nan 8.230 nan 0.000 0.435 535 G N -1.128 107.765 108.800 0.154 0.000 2.432 535 G HA2 -0.178 3.780 3.960 -0.004 0.000 0.219 535 G HA3 -0.178 3.780 3.960 -0.004 0.000 0.219 535 G C 1.480 176.431 174.900 0.086 0.000 1.135 535 G CA 1.036 46.308 45.100 0.287 0.000 0.767 535 G HN 0.346 nan 8.290 nan 0.000 0.550 536 V N 1.408 121.365 119.914 0.072 0.000 2.379 536 V HA -0.097 4.021 4.120 -0.004 0.000 0.245 536 V C 2.765 178.739 176.094 -0.200 0.000 1.044 536 V CA 0.934 63.232 62.300 -0.003 0.000 1.036 536 V CB -0.285 31.546 31.823 0.014 0.000 0.664 536 V HN 0.254 nan 8.190 nan 0.000 0.453 537 I N -0.481 119.883 120.570 -0.344 0.000 2.179 537 I HA -0.191 3.977 4.170 -0.004 0.000 0.242 537 I C 2.347 178.186 176.117 -0.464 0.000 1.088 537 I CA 1.715 62.723 61.300 -0.486 0.000 1.357 537 I CB -1.013 36.475 38.000 -0.854 0.000 1.051 537 I HN 0.277 nan 8.210 nan 0.000 0.409 538 L N -0.124 120.759 121.223 -0.566 0.000 2.023 538 L HA -0.110 4.228 4.340 -0.004 0.000 0.205 538 L C 2.079 178.426 176.870 -0.872 0.000 1.073 538 L CA 1.931 56.284 54.840 -0.811 0.000 0.745 538 L CB -0.950 40.389 42.059 -1.200 0.000 0.900 538 L HN 0.084 nan 8.230 nan 0.000 0.435 539 F N -1.507 118.200 119.950 -0.405 0.000 2.765 539 F HA 0.149 4.674 4.527 -0.004 0.000 0.302 539 F C 1.996 177.571 175.800 -0.375 0.000 1.111 539 F CA 0.064 57.761 58.000 -0.506 0.000 1.359 539 F CB -0.209 38.180 39.000 -1.018 0.000 1.097 539 F HN 0.153 nan 8.300 nan 0.000 0.577 540 E N -0.261 119.830 120.200 -0.182 0.000 2.520 540 E HA 0.025 4.373 4.350 -0.004 0.000 0.201 540 E C 1.820 178.358 176.600 -0.103 0.000 0.894 540 E CA -0.013 56.336 56.400 -0.086 0.000 1.161 540 E CB 0.217 29.905 29.700 -0.020 0.000 1.137 540 E HN 0.114 nan 8.360 nan 0.000 0.510 541 K N 1.101 121.410 120.400 -0.152 0.000 2.076 541 K HA 0.034 4.352 4.320 -0.004 0.000 0.204 541 K C 1.817 178.331 176.600 -0.143 0.000 1.051 541 K CA 0.816 57.018 56.287 -0.142 0.000 0.949 541 K CB 0.212 32.604 32.500 -0.179 0.000 0.726 541 K HN 0.034 nan 8.250 nan 0.000 0.443 542 L N 0.591 121.690 121.223 -0.207 0.000 2.567 542 L HA 0.074 4.412 4.340 -0.004 0.000 0.225 542 L C 0.206 176.996 176.870 -0.133 0.000 1.119 542 L CA 0.031 54.759 54.840 -0.187 0.000 0.871 542 L CB 0.216 42.074 42.059 -0.335 0.000 1.036 542 L HN 0.274 nan 8.230 nan 0.000 0.459 543 Q N 0.028 119.744 119.800 -0.139 0.000 2.481 543 Q HA -0.191 4.147 4.340 -0.004 0.000 0.258 543 Q C 0.020 175.952 176.000 -0.114 0.000 0.961 543 Q CA 0.823 56.567 55.803 -0.098 0.000 1.121 543 Q CB -2.171 26.529 28.738 -0.063 0.000 1.503 543 Q HN 0.480 nan 8.270 nan 0.000 0.544 544 L N 2.064 123.194 121.223 -0.155 0.000 2.483 544 L HA 0.166 4.504 4.340 -0.004 0.000 0.275 544 L C -1.198 175.661 176.870 -0.019 0.000 1.220 544 L CA -1.247 53.498 54.840 -0.158 0.000 0.833 544 L CB -0.281 41.669 42.059 -0.181 0.000 1.102 544 L HN -0.089 nan 8.230 nan 0.000 0.490 545 P HA 0.046 nan 4.420 nan 0.000 0.271 545 P C -0.748 176.580 177.300 0.048 0.000 1.218 545 P CA -0.259 62.801 63.100 -0.067 0.000 0.780 545 P CB 1.019 32.614 31.700 -0.175 0.000 0.901 546 V N 4.798 124.671 119.914 -0.067 0.000 2.339 546 V HA 0.081 4.199 4.120 -0.004 0.000 0.261 546 V C 1.632 177.660 176.094 -0.110 0.000 1.058 546 V CA 0.066 62.220 62.300 -0.245 0.000 0.897 546 V CB 0.143 31.823 31.823 -0.239 0.000 1.052 546 V HN 0.474 nan 8.190 nan 0.000 0.480 547 L N 3.167 124.349 121.223 -0.069 0.000 2.416 547 L HA 0.309 4.647 4.340 -0.004 0.000 0.216 547 L C 0.875 177.740 176.870 -0.009 0.000 1.098 547 L CA 0.762 55.600 54.840 -0.003 0.000 0.840 547 L CB 0.001 42.092 42.059 0.053 0.000 0.981 547 L HN 0.477 nan 8.230 nan 0.000 0.462 548 K N 0.915 121.288 120.400 -0.045 0.000 2.523 548 K HA 0.411 4.729 4.320 -0.004 0.000 0.257 548 K C -1.264 175.303 176.600 -0.055 0.000 0.932 548 K CA -0.661 55.615 56.287 -0.019 0.000 0.812 548 K CB 2.984 35.498 32.500 0.025 0.000 1.326 548 K HN -0.086 nan 8.250 nan 0.000 0.433 549 K N -0.157 120.226 120.400 -0.027 0.000 2.375 549 K HA 0.477 4.795 4.320 -0.004 0.000 0.249 549 K C -0.329 176.263 176.600 -0.014 0.000 0.942 549 K CA -0.832 55.432 56.287 -0.038 0.000 0.806 549 K CB 1.796 34.263 32.500 -0.055 0.000 1.227 549 K HN 0.590 nan 8.250 nan 0.000 0.430 550 T N -2.037 112.507 114.554 -0.016 0.000 2.927 550 T HA 0.184 4.532 4.350 -0.004 0.000 0.281 550 T C 1.080 175.766 174.700 -0.024 0.000 0.998 550 T CA -0.912 61.187 62.100 -0.002 0.000 1.019 550 T CB 1.702 70.581 68.868 0.018 0.000 1.061 550 T HN 0.821 nan 8.240 nan 0.000 0.518 551 K N -0.190 120.202 120.400 -0.013 0.000 2.173 551 K HA -0.195 4.123 4.320 -0.004 0.000 0.207 551 K C 1.909 178.488 176.600 -0.035 0.000 1.046 551 K CA 1.991 58.266 56.287 -0.021 0.000 0.929 551 K CB -0.464 32.029 32.500 -0.011 0.000 0.720 551 K HN 0.727 nan 8.250 nan 0.000 0.453 552 T N -1.586 112.948 114.554 -0.034 0.000 3.014 552 T HA 0.289 4.636 4.350 -0.004 0.000 0.250 552 T C 0.273 174.919 174.700 -0.090 0.000 1.060 552 T CA 0.531 62.603 62.100 -0.047 0.000 1.040 552 T CB 0.547 69.401 68.868 -0.022 0.000 0.971 552 T HN 0.533 nan 8.240 nan 0.000 0.497 553 G N -0.308 108.426 108.800 -0.110 0.000 2.435 553 G HA2 0.382 4.340 3.960 -0.004 0.000 0.228 553 G HA3 0.382 4.340 3.960 -0.004 0.000 0.228 553 G C -1.838 172.942 174.900 -0.200 0.000 1.198 553 G CA -0.830 44.132 45.100 -0.232 0.000 0.948 553 G HN 0.136 nan 8.290 nan 0.000 0.487 554 Y N 1.080 121.361 120.300 -0.031 0.000 2.359 554 Y HA 0.584 5.132 4.550 -0.004 0.000 0.330 554 Y C 1.174 177.054 175.900 -0.032 0.000 1.143 554 Y CA -0.083 57.937 58.100 -0.133 0.000 1.318 554 Y CB 1.478 39.869 38.460 -0.115 0.000 1.234 554 Y HN 0.378 nan 8.280 nan 0.000 0.522 555 S N 1.205 116.947 115.700 0.070 0.000 2.545 555 S HA 0.300 4.768 4.470 -0.004 0.000 0.275 555 S C 0.588 175.322 174.600 0.223 0.000 1.299 555 S CA -0.068 58.199 58.200 0.111 0.000 1.048 555 S CB 0.155 63.391 63.200 0.060 0.000 0.938 555 S HN 0.840 nan 8.310 nan 0.000 0.496 556 T N 0.505 115.194 114.554 0.225 0.000 3.393 556 T HA 0.305 4.653 4.350 -0.004 0.000 0.298 556 T C 0.287 175.088 174.700 0.169 0.000 1.004 556 T CA -0.182 62.068 62.100 0.250 0.000 0.956 556 T CB -0.661 68.355 68.868 0.246 0.000 1.182 556 T HN 0.628 nan 8.240 nan 0.000 0.497 557 S N 0.653 116.436 115.700 0.139 0.000 2.584 557 S HA 0.614 5.082 4.470 -0.004 0.000 0.270 557 S C 1.920 176.580 174.600 0.101 0.000 1.346 557 S CA -0.257 58.007 58.200 0.106 0.000 1.018 557 S CB 0.952 64.205 63.200 0.088 0.000 0.899 557 S HN 0.558 nan 8.310 nan 0.000 0.542 558 A N 2.111 124.980 122.820 0.082 0.000 1.903 558 A HA -0.239 4.079 4.320 -0.004 0.000 0.219 558 A C 1.994 179.618 177.584 0.066 0.000 1.191 558 A CA 1.979 54.059 52.037 0.073 0.000 0.638 558 A CB -1.293 17.741 19.000 0.056 0.000 0.823 558 A HN 1.025 nan 8.150 nan 0.000 0.451 559 D N -0.050 120.384 120.400 0.057 0.000 2.182 559 D HA -0.125 4.512 4.640 -0.004 0.000 0.201 559 D C 1.835 178.175 176.300 0.066 0.000 0.986 559 D CA 1.715 55.744 54.000 0.048 0.000 0.847 559 D CB -0.831 39.989 40.800 0.033 0.000 0.942 559 D HN 0.297 nan 8.370 nan 0.000 0.467 560 V N 1.202 121.169 119.914 0.088 0.000 2.323 560 V HA -0.177 3.940 4.120 -0.004 0.000 0.244 560 V C 2.902 179.078 176.094 0.137 0.000 1.041 560 V CA 0.984 63.353 62.300 0.116 0.000 1.025 560 V CB -0.576 31.332 31.823 0.141 0.000 0.656 560 V HN 0.161 nan 8.190 nan 0.000 0.451 561 L N -0.157 121.146 121.223 0.132 0.000 2.042 561 L HA -0.239 4.099 4.340 -0.004 0.000 0.210 561 L C 2.573 179.503 176.870 0.100 0.000 1.076 561 L CA 1.808 56.721 54.840 0.122 0.000 0.749 561 L CB -0.819 41.302 42.059 0.104 0.000 0.893 561 L HN 0.396 nan 8.230 nan 0.000 0.432 562 E N 0.449 120.696 120.200 0.079 0.000 2.114 562 E HA -0.274 4.074 4.350 -0.004 0.000 0.199 562 E C 2.127 178.762 176.600 0.059 0.000 1.008 562 E CA 1.515 57.948 56.400 0.056 0.000 0.810 562 E CB -0.091 29.633 29.700 0.040 0.000 0.739 562 E HN 0.472 nan 8.360 nan 0.000 0.456 563 K N 0.184 120.633 120.400 0.081 0.000 2.288 563 K HA -0.026 4.292 4.320 -0.004 0.000 0.201 563 K C 1.841 178.529 176.600 0.145 0.000 1.048 563 K CA 0.609 56.952 56.287 0.094 0.000 0.956 563 K CB 0.138 32.703 32.500 0.109 0.000 0.746 563 K HN 0.159 nan 8.250 nan 0.000 0.461 564 L N -0.175 121.159 121.223 0.185 0.000 2.567 564 L HA 0.145 4.483 4.340 -0.004 0.000 0.225 564 L C 2.304 179.294 176.870 0.200 0.000 1.119 564 L CA -0.060 54.959 54.840 0.299 0.000 0.871 564 L CB -0.368 41.842 42.059 0.252 0.000 1.036 564 L HN 0.065 nan 8.230 nan 0.000 0.459 565 A N 1.704 124.580 122.820 0.093 0.000 1.903 565 A HA -0.180 4.138 4.320 -0.004 0.000 0.219 565 A C 0.040 177.627 177.584 0.006 0.000 1.191 565 A CA 2.001 54.068 52.037 0.050 0.000 0.638 565 A CB -1.797 17.216 19.000 0.021 0.000 0.823 565 A HN 0.284 nan 8.150 nan 0.000 0.451 566 P HA -0.146 nan 4.420 nan 0.000 0.218 566 P C 0.750 177.933 177.300 -0.196 0.000 1.148 566 P CA 1.124 64.103 63.100 -0.202 0.000 0.822 566 P CB -0.171 31.321 31.700 -0.347 0.000 0.784 567 Y N -2.810 117.511 120.300 0.036 0.000 2.314 567 Y HA -0.001 4.547 4.550 -0.004 0.000 0.293 567 Y C 1.502 177.449 175.900 0.078 0.000 1.129 567 Y CA 1.072 59.200 58.100 0.047 0.000 1.201 567 Y CB -0.253 38.242 38.460 0.058 0.000 0.999 567 Y HN 0.065 nan 8.280 nan 0.000 0.541 568 H N -0.982 118.157 119.070 0.116 0.000 3.085 568 H HA 0.120 4.674 4.556 -0.004 0.000 0.356 568 H C 0.235 175.577 175.328 0.024 0.000 1.178 568 H CA -0.541 55.539 56.048 0.053 0.000 1.214 568 H CB 1.667 31.449 29.762 0.032 0.000 1.881 568 H HN 0.187 nan 8.280 nan 0.000 0.538 569 E N 3.847 124.077 120.200 0.050 0.000 2.265 569 E HA -0.101 4.247 4.350 -0.004 0.000 0.196 569 E C 1.719 178.435 176.600 0.193 0.000 0.996 569 E CA 0.837 57.291 56.400 0.090 0.000 0.832 569 E CB 0.236 29.932 29.700 -0.007 0.000 0.756 569 E HN 0.626 nan 8.360 nan 0.000 0.491 570 I N -0.022 120.785 120.570 0.396 0.000 2.361 570 I HA -0.249 3.919 4.170 -0.004 0.000 0.251 570 I C 1.860 178.026 176.117 0.081 0.000 1.133 570 I CA 0.671 62.065 61.300 0.157 0.000 1.413 570 I CB 0.089 38.078 38.000 -0.019 0.000 1.073 570 I HN 0.051 nan 8.210 nan 0.000 0.424 571 V N 2.369 122.336 119.914 0.088 0.000 2.252 571 V HA -0.345 3.773 4.120 -0.004 0.000 0.249 571 V C 2.475 178.612 176.094 0.072 0.000 1.056 571 V CA 2.521 64.859 62.300 0.063 0.000 1.022 571 V CB -1.209 30.661 31.823 0.078 0.000 0.641 571 V HN 0.635 nan 8.190 nan 0.000 0.445 572 E N 0.450 120.691 120.200 0.069 0.000 2.118 572 E HA -0.266 4.082 4.350 -0.004 0.000 0.195 572 E C 1.895 178.548 176.600 0.088 0.000 0.992 572 E CA 1.706 58.141 56.400 0.059 0.000 0.804 572 E CB -0.527 29.189 29.700 0.027 0.000 0.741 572 E HN 0.625 nan 8.360 nan 0.000 0.458 573 N N 0.950 119.704 118.700 0.089 0.000 2.188 573 N HA -0.072 4.665 4.740 -0.004 0.000 0.184 573 N C 2.036 177.625 175.510 0.133 0.000 1.018 573 N CA 1.178 54.297 53.050 0.115 0.000 0.858 573 N CB -0.095 38.430 38.487 0.064 0.000 0.989 573 N HN 0.307 nan 8.380 nan 0.000 0.426 574 I N 1.123 121.748 120.570 0.092 0.000 2.315 574 I HA -0.213 3.955 4.170 -0.004 0.000 0.248 574 I C 2.162 178.375 176.117 0.160 0.000 1.117 574 I CA 0.728 62.089 61.300 0.102 0.000 1.404 574 I CB -0.156 37.886 38.000 0.070 0.000 1.071 574 I HN 0.049 nan 8.210 nan 0.000 0.419 575 L N -0.188 121.117 121.223 0.137 0.000 2.046 575 L HA -0.259 4.079 4.340 -0.004 0.000 0.208 575 L C 2.752 179.724 176.870 0.171 0.000 1.077 575 L CA 1.354 56.273 54.840 0.132 0.000 0.747 575 L CB -0.746 41.374 42.059 0.102 0.000 0.896 575 L HN 0.302 nan 8.230 nan 0.000 0.432 576 H N -1.095 118.015 119.070 0.066 0.000 2.387 576 H HA -0.249 4.305 4.556 -0.004 0.000 0.299 576 H C 2.003 177.369 175.328 0.065 0.000 1.090 576 H CA 1.715 57.794 56.048 0.051 0.000 1.332 576 H CB -0.208 29.580 29.762 0.044 0.000 1.386 576 H HN 0.326 nan 8.280 nan 0.000 0.516 577 Y N 0.887 121.160 120.300 -0.044 0.000 2.242 577 Y HA -0.127 4.420 4.550 -0.004 0.000 0.291 577 Y C 2.371 178.221 175.900 -0.084 0.000 1.137 577 Y CA 1.419 59.445 58.100 -0.123 0.000 1.181 577 Y CB 0.014 38.413 38.460 -0.103 0.000 0.989 577 Y HN 0.032 nan 8.280 nan 0.000 0.527 578 R N 0.308 120.844 120.500 0.060 0.000 2.096 578 R HA -0.197 4.141 4.340 -0.004 0.000 0.235 578 R C 2.269 178.534 176.300 -0.059 0.000 1.127 578 R CA 1.674 57.777 56.100 0.005 0.000 0.968 578 R CB -0.696 29.653 30.300 0.082 0.000 0.861 578 R HN 0.550 nan 8.270 nan 0.000 0.440 579 Q N 0.627 120.407 119.800 -0.034 0.000 1.990 579 Q HA -0.094 4.243 4.340 -0.004 0.000 0.200 579 Q C 2.277 178.223 176.000 -0.091 0.000 0.980 579 Q CA 1.247 57.036 55.803 -0.024 0.000 0.832 579 Q CB -0.033 28.729 28.738 0.041 0.000 0.897 579 Q HN 0.260 nan 8.270 nan 0.000 0.427 580 L N -0.214 120.888 121.223 -0.201 0.000 2.017 580 L HA -0.131 4.207 4.340 -0.004 0.000 0.208 580 L C 2.505 179.231 176.870 -0.240 0.000 1.073 580 L CA 1.194 55.892 54.840 -0.238 0.000 0.745 580 L CB -0.905 40.938 42.059 -0.360 0.000 0.894 580 L HN 0.426 nan 8.230 nan 0.000 0.432 581 G N 0.084 108.661 108.800 -0.373 0.000 2.422 581 G HA2 -0.317 3.641 3.960 -0.004 0.000 0.218 581 G HA3 -0.317 3.641 3.960 -0.004 0.000 0.218 581 G C 1.651 176.445 174.900 -0.177 0.000 1.146 581 G CA 0.963 45.846 45.100 -0.362 0.000 0.769 581 G HN 0.199 nan 8.290 nan 0.000 0.547 582 K N 0.455 120.788 120.400 -0.112 0.000 2.026 582 K HA 0.055 4.372 4.320 -0.004 0.000 0.208 582 K C 2.451 179.071 176.600 0.034 0.000 1.048 582 K CA 0.995 57.264 56.287 -0.030 0.000 0.929 582 K CB -0.558 31.962 32.500 0.033 0.000 0.713 582 K HN 0.357 nan 8.250 nan 0.000 0.439 583 L N 0.124 121.391 121.223 0.073 0.000 2.027 583 L HA -0.184 4.153 4.340 -0.004 0.000 0.206 583 L C 2.712 179.628 176.870 0.077 0.000 1.074 583 L CA 1.560 56.497 54.840 0.162 0.000 0.745 583 L CB -0.604 41.499 42.059 0.073 0.000 0.898 583 L HN 0.316 nan 8.230 nan 0.000 0.433 584 Q N 0.193 119.982 119.800 -0.017 0.000 2.002 584 Q HA -0.174 4.164 4.340 -0.004 0.000 0.204 584 Q C 2.307 178.282 176.000 -0.042 0.000 0.988 584 Q CA 2.551 58.331 55.803 -0.038 0.000 0.843 584 Q CB -0.227 28.462 28.738 -0.083 0.000 0.908 584 Q HN 0.316 nan 8.270 nan 0.000 0.420 585 S N -0.676 114.981 115.700 -0.072 0.000 2.348 585 S HA -0.119 4.349 4.470 -0.004 0.000 0.221 585 S C 1.986 176.522 174.600 -0.108 0.000 1.033 585 S CA 1.628 59.780 58.200 -0.079 0.000 1.010 585 S CB -0.588 62.561 63.200 -0.084 0.000 0.891 585 S HN 0.524 nan 8.310 nan 0.000 0.442 586 T N 0.478 114.927 114.554 -0.176 0.000 2.852 586 T HA 0.068 4.416 4.350 -0.004 0.000 0.256 586 T C 1.424 175.879 174.700 -0.408 0.000 1.038 586 T CA 0.996 62.883 62.100 -0.355 0.000 1.141 586 T CB -0.284 68.222 68.868 -0.603 0.000 0.869 586 T HN 0.393 nan 8.240 nan 0.000 0.439 587 Y N 0.202 120.509 120.300 0.012 0.000 2.436 587 Y HA 0.388 4.935 4.550 -0.004 0.000 0.288 587 Y C 1.998 177.914 175.900 0.026 0.000 1.112 587 Y CA -0.245 57.877 58.100 0.037 0.000 1.220 587 Y CB -0.198 38.288 38.460 0.042 0.000 1.073 587 Y HN 0.156 nan 8.280 nan 0.000 0.552 588 I N -0.275 120.367 120.570 0.120 0.000 2.368 588 I HA -0.139 4.029 4.170 -0.004 0.000 0.238 588 I C 1.944 178.071 176.117 0.017 0.000 1.076 588 I CA 1.055 62.389 61.300 0.057 0.000 1.397 588 I CB -0.227 37.789 38.000 0.027 0.000 1.141 588 I HN 0.134 nan 8.210 nan 0.000 0.430 589 E N 1.122 121.319 120.200 -0.005 0.000 2.072 589 E HA -0.130 4.218 4.350 -0.004 0.000 0.191 589 E C 2.241 178.829 176.600 -0.021 0.000 0.985 589 E CA 1.227 57.616 56.400 -0.019 0.000 0.801 589 E CB -0.365 29.318 29.700 -0.028 0.000 0.750 589 E HN 0.561 nan 8.360 nan 0.000 0.452 590 G N 1.419 110.200 108.800 -0.033 0.000 2.422 590 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.218 590 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.218 590 G C 1.538 176.436 174.900 -0.004 0.000 1.146 590 G CA 0.422 45.499 45.100 -0.038 0.000 0.769 590 G HN 0.071 nan 8.290 nan 0.000 0.547 591 L N 0.267 121.506 121.223 0.027 0.000 2.068 591 L HA 0.263 4.601 4.340 -0.004 0.000 0.204 591 L C 2.757 179.629 176.870 0.003 0.000 1.076 591 L CA 1.049 55.919 54.840 0.050 0.000 0.753 591 L CB -0.528 41.587 42.059 0.094 0.000 0.910 591 L HN 0.167 nan 8.230 nan 0.000 0.439 592 L N -0.750 120.466 121.223 -0.011 0.000 2.187 592 L HA -0.256 4.081 4.340 -0.004 0.000 0.213 592 L C 2.367 179.225 176.870 -0.020 0.000 1.100 592 L CA 1.213 56.038 54.840 -0.025 0.000 0.765 592 L CB -0.518 41.526 42.059 -0.025 0.000 0.904 592 L HN 0.258 nan 8.230 nan 0.000 0.437 593 K N -0.361 120.030 120.400 -0.015 0.000 2.283 593 K HA -0.081 4.236 4.320 -0.004 0.000 0.202 593 K C 1.614 178.206 176.600 -0.014 0.000 1.048 593 K CA 1.305 57.582 56.287 -0.016 0.000 0.948 593 K CB 0.109 32.599 32.500 -0.017 0.000 0.742 593 K HN 0.365 nan 8.250 nan 0.000 0.458 594 V N -2.664 117.245 119.914 -0.008 0.000 3.578 594 V HA 0.163 4.281 4.120 -0.004 0.000 0.290 594 V C 0.578 176.672 176.094 0.000 0.000 1.376 594 V CA -0.532 61.766 62.300 -0.004 0.000 1.083 594 V CB 0.198 32.024 31.823 0.004 0.000 0.911 594 V HN -0.218 nan 8.190 nan 0.000 0.433 595 V N 3.092 123.000 119.914 -0.011 0.000 2.637 595 V HA 0.265 4.383 4.120 -0.004 0.000 0.296 595 V C 0.789 176.884 176.094 0.003 0.000 1.046 595 V CA -0.230 62.060 62.300 -0.017 0.000 1.066 595 V CB 0.671 32.469 31.823 -0.043 0.000 0.968 595 V HN 0.508 nan 8.190 nan 0.000 0.483 596 R N 5.817 126.337 120.500 0.034 0.000 2.296 596 R HA 0.177 4.515 4.340 -0.004 0.000 0.323 596 R C -1.798 174.517 176.300 0.026 0.000 1.067 596 R CA -1.576 54.553 56.100 0.049 0.000 0.946 596 R CB 0.643 31.022 30.300 0.132 0.000 0.991 596 R HN 0.488 nan 8.270 nan 0.000 0.448 597 P HA -0.226 nan 4.420 nan 0.000 0.217 597 P C 0.731 178.035 177.300 0.007 0.000 1.151 597 P CA 1.419 64.519 63.100 0.001 0.000 0.849 597 P CB 0.226 31.924 31.700 -0.003 0.000 0.787 598 D N -1.595 118.817 120.400 0.021 0.000 2.162 598 D HA -0.092 4.546 4.640 -0.004 0.000 0.203 598 D C 1.517 177.830 176.300 0.022 0.000 0.967 598 D CA 2.011 56.025 54.000 0.024 0.000 0.840 598 D CB -1.434 39.389 40.800 0.038 0.000 0.972 598 D HN 0.247 nan 8.370 nan 0.000 0.482 599 T N -3.683 110.893 114.554 0.037 0.000 3.023 599 T HA 0.157 4.505 4.350 -0.004 0.000 0.253 599 T C 0.638 175.333 174.700 -0.008 0.000 1.038 599 T CA -0.396 61.715 62.100 0.018 0.000 0.962 599 T CB 0.222 69.120 68.868 0.050 0.000 1.018 599 T HN -0.150 nan 8.240 nan 0.000 0.521 600 K N 0.847 121.244 120.400 -0.006 0.000 3.129 600 K HA -0.117 4.201 4.320 -0.004 0.000 0.273 600 K C -0.507 176.057 176.600 -0.061 0.000 1.123 600 K CA 0.748 57.014 56.287 -0.035 0.000 0.800 600 K CB -1.845 30.627 32.500 -0.046 0.000 1.238 600 K HN 0.603 nan 8.250 nan 0.000 0.492 601 K N -0.035 120.335 120.400 -0.051 0.000 2.281 601 K HA 0.579 4.897 4.320 -0.004 0.000 0.242 601 K C 0.111 176.612 176.600 -0.166 0.000 0.971 601 K CA -0.902 55.295 56.287 -0.150 0.000 0.834 601 K CB 2.250 34.600 32.500 -0.250 0.000 1.181 601 K HN 0.017 nan 8.250 nan 0.000 0.435 602 V N -0.920 118.852 119.914 -0.237 0.000 2.513 602 V HA 0.441 4.559 4.120 -0.004 0.000 0.299 602 V C -0.613 175.266 176.094 -0.358 0.000 1.035 602 V CA -0.637 61.571 62.300 -0.154 0.000 0.889 602 V CB 1.428 33.240 31.823 -0.017 0.000 0.988 602 V HN 0.722 nan 8.190 nan 0.000 0.440 603 H N 2.506 121.491 119.070 -0.142 0.000 2.736 603 H HA 0.370 4.924 4.556 -0.004 0.000 0.271 603 H C 0.301 175.505 175.328 -0.207 0.000 1.184 603 H CA -0.201 55.672 56.048 -0.291 0.000 1.378 603 H CB 1.632 30.957 29.762 -0.729 0.000 1.428 603 H HN 0.878 nan 8.280 nan 0.000 0.500 604 T N 2.499 117.016 114.554 -0.061 0.000 2.701 604 T HA 0.330 4.678 4.350 -0.004 0.000 0.303 604 T C 0.555 175.225 174.700 -0.050 0.000 1.030 604 T CA -0.238 61.784 62.100 -0.129 0.000 1.010 604 T CB 0.327 68.980 68.868 -0.358 0.000 1.007 604 T HN 0.420 nan 8.240 nan 0.000 0.532 605 I N 2.509 122.975 120.570 -0.173 0.000 2.447 605 I HA 0.322 4.489 4.170 -0.004 0.000 0.287 605 I C -1.028 174.986 176.117 -0.171 0.000 1.023 605 I CA -0.739 60.499 61.300 -0.104 0.000 1.083 605 I CB 1.471 39.358 38.000 -0.188 0.000 1.245 605 I HN 0.515 nan 8.210 nan 0.000 0.434 606 F N 4.862 124.886 119.950 0.123 0.000 2.404 606 F HA 0.242 4.767 4.527 -0.004 0.000 0.358 606 F C 0.891 176.729 175.800 0.064 0.000 1.120 606 F CA -0.438 57.613 58.000 0.085 0.000 1.144 606 F CB 0.406 39.453 39.000 0.079 0.000 1.133 606 F HN 0.402 nan 8.300 nan 0.000 0.495 607 N N 3.741 122.562 118.700 0.201 0.000 2.402 607 N HA -0.001 4.737 4.740 -0.004 0.000 0.252 607 N C 0.638 176.173 175.510 0.042 0.000 1.118 607 N CA 0.258 53.365 53.050 0.095 0.000 0.945 607 N CB 0.807 39.331 38.487 0.061 0.000 1.147 607 N HN 0.772 nan 8.380 nan 0.000 0.495 608 Q N 2.650 122.429 119.800 -0.034 0.000 2.425 608 Q HA 0.165 4.503 4.340 -0.004 0.000 0.204 608 Q C -0.189 175.516 176.000 -0.491 0.000 0.933 608 Q CA 0.253 55.975 55.803 -0.135 0.000 0.939 608 Q CB 0.346 29.030 28.738 -0.089 0.000 1.044 608 Q HN 0.638 nan 8.270 nan 0.000 0.513 609 A N 0.427 122.897 122.820 -0.583 0.000 3.105 609 A HA 0.280 4.598 4.320 -0.004 0.000 0.297 609 A C 0.033 177.255 177.584 -0.605 0.000 0.977 609 A CA -0.256 51.071 52.037 -1.182 0.000 1.020 609 A CB 0.321 18.936 19.000 -0.643 0.000 1.098 609 A HN 0.362 nan 8.150 nan 0.000 0.497 610 L N -0.249 120.786 121.223 -0.314 0.000 2.666 610 L HA 0.302 4.639 4.340 -0.004 0.000 0.184 610 L C 1.282 178.287 176.870 0.225 0.000 1.092 610 L CA 1.901 56.764 54.840 0.039 0.000 0.857 610 L CB -0.036 42.053 42.059 0.049 0.000 1.281 610 L HN 0.359 nan 8.230 nan 0.000 0.489 611 T N -1.618 113.078 114.554 0.236 0.000 2.903 611 T HA 0.027 4.375 4.350 -0.004 0.000 0.314 611 T C 0.648 175.526 174.700 0.296 0.000 1.078 611 T CA -0.080 62.170 62.100 0.250 0.000 1.114 611 T CB 0.564 69.555 68.868 0.205 0.000 0.987 611 T HN 0.417 nan 8.240 nan 0.000 0.548 612 Q N 0.667 120.578 119.800 0.186 0.000 2.360 612 Q HA 0.040 4.378 4.340 -0.004 0.000 0.202 612 Q C 1.805 177.843 176.000 0.063 0.000 0.915 612 Q CA 0.755 56.627 55.803 0.115 0.000 0.943 612 Q CB 0.202 29.005 28.738 0.108 0.000 1.064 612 Q HN 1.024 nan 8.270 nan 0.000 0.511 613 T N -5.221 109.387 114.554 0.090 0.000 3.014 613 T HA 0.280 4.627 4.350 -0.004 0.000 0.250 613 T C 1.363 176.101 174.700 0.062 0.000 1.060 613 T CA 0.614 62.746 62.100 0.054 0.000 1.040 613 T CB 0.815 69.715 68.868 0.053 0.000 0.971 613 T HN 0.296 nan 8.240 nan 0.000 0.497 614 G N 1.549 110.431 108.800 0.137 0.000 2.179 614 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.220 614 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.220 614 G C 0.195 175.202 174.900 0.179 0.000 0.990 614 G CA -0.312 44.892 45.100 0.173 0.000 0.646 614 G HN 0.631 nan 8.290 nan 0.000 0.517 615 R N -0.249 120.350 120.500 0.165 0.000 2.615 615 R HA 0.620 4.958 4.340 -0.004 0.000 0.270 615 R C 0.770 177.193 176.300 0.205 0.000 1.081 615 R CA -0.259 55.950 56.100 0.181 0.000 1.154 615 R CB 0.452 30.848 30.300 0.160 0.000 1.063 615 R HN 0.268 nan 8.270 nan 0.000 0.519 616 L N 0.484 121.840 121.223 0.220 0.000 2.416 616 L HA 0.356 4.694 4.340 -0.004 0.000 0.262 616 L C 0.467 177.509 176.870 0.286 0.000 1.093 616 L CA -0.359 54.600 54.840 0.200 0.000 0.801 616 L CB 1.498 43.636 42.059 0.132 0.000 1.191 616 L HN 0.730 nan 8.230 nan 0.000 0.459 617 S N -0.355 115.505 115.700 0.267 0.000 2.634 617 S HA 0.719 5.187 4.470 -0.004 0.000 0.296 617 S C -0.776 173.971 174.600 0.246 0.000 1.104 617 S CA -0.718 57.634 58.200 0.253 0.000 0.920 617 S CB 2.026 65.334 63.200 0.180 0.000 1.111 617 S HN 0.550 nan 8.310 nan 0.000 0.493 618 S N 0.578 116.369 115.700 0.151 0.000 2.536 618 S HA 0.837 5.305 4.470 -0.004 0.000 0.287 618 S C -0.825 173.765 174.600 -0.017 0.000 1.101 618 S CA -0.194 58.004 58.200 -0.002 0.000 0.950 618 S CB 1.257 64.430 63.200 -0.045 0.000 1.056 618 S HN 1.434 nan 8.310 nan 0.000 0.481 619 T N 0.400 114.910 114.554 -0.074 0.000 2.883 619 T HA 0.621 4.969 4.350 -0.004 0.000 0.301 619 T C -0.873 173.795 174.700 -0.053 0.000 1.158 619 T CA -0.802 61.276 62.100 -0.037 0.000 1.007 619 T CB 1.136 69.993 68.868 -0.019 0.000 1.186 619 T HN 0.720 nan 8.240 nan 0.000 0.499 620 E N 1.212 121.397 120.200 -0.025 0.000 2.222 620 E HA -0.130 4.218 4.350 -0.004 0.000 0.189 620 E C -2.376 174.218 176.600 -0.009 0.000 1.415 620 E CA 0.235 56.624 56.400 -0.017 0.000 0.689 620 E CB -1.003 28.681 29.700 -0.027 0.000 1.107 620 E HN 0.609 nan 8.360 nan 0.000 0.350 621 P HA 0.114 nan 4.420 nan 0.000 0.286 621 P C -0.611 176.703 177.300 0.024 0.000 1.292 621 P CA -0.672 62.449 63.100 0.034 0.000 0.842 621 P CB 0.847 32.604 31.700 0.094 0.000 1.207 622 N N 1.043 119.774 118.700 0.052 0.000 2.406 622 N HA 0.083 4.820 4.740 -0.004 0.000 0.251 622 N C 0.067 175.648 175.510 0.118 0.000 1.069 622 N CA -0.080 53.008 53.050 0.063 0.000 0.947 622 N CB -0.566 37.968 38.487 0.079 0.000 1.111 622 N HN 0.139 nan 8.380 nan 0.000 0.497 623 L N 2.931 124.209 121.223 0.092 0.000 2.653 623 L HA 0.250 4.588 4.340 -0.004 0.000 0.231 623 L C 1.185 178.163 176.870 0.180 0.000 1.153 623 L CA 0.628 55.552 54.840 0.140 0.000 0.933 623 L CB -0.551 41.558 42.059 0.082 0.000 1.175 623 L HN 0.684 nan 8.230 nan 0.000 0.473 624 Q N 0.003 119.890 119.800 0.145 0.000 2.282 624 Q HA 0.138 4.476 4.340 -0.004 0.000 0.206 624 Q C 0.347 176.431 176.000 0.140 0.000 0.878 624 Q CA 0.075 55.948 55.803 0.116 0.000 0.944 624 Q CB 0.395 29.154 28.738 0.035 0.000 1.100 624 Q HN 0.462 nan 8.270 nan 0.000 0.509 625 N N -0.341 118.449 118.700 0.151 0.000 2.536 625 N HA 0.074 4.812 4.740 -0.004 0.000 0.286 625 N C -0.615 174.946 175.510 0.085 0.000 1.577 625 N CA -0.230 52.904 53.050 0.141 0.000 0.883 625 N CB 0.329 38.932 38.487 0.194 0.000 1.390 625 N HN -0.069 nan 8.380 nan 0.000 0.491 626 I N 1.533 122.070 120.570 -0.055 0.000 2.556 626 I HA 0.251 4.419 4.170 -0.004 0.000 0.284 626 I C -1.799 174.055 176.117 -0.437 0.000 1.114 626 I CA -1.855 59.260 61.300 -0.308 0.000 1.418 626 I CB -0.130 37.630 38.000 -0.399 0.000 1.394 626 I HN -0.076 nan 8.210 nan 0.000 0.552 627 P HA 0.069 nan 4.420 nan 0.000 0.266 627 P C 0.627 177.741 177.300 -0.309 0.000 1.186 627 P CA 0.517 63.369 63.100 -0.414 0.000 0.767 627 P CB 1.023 32.450 31.700 -0.455 0.000 0.820 628 I N 0.471 120.911 120.570 -0.217 0.000 5.362 628 I HA 0.036 4.203 4.170 -0.004 0.000 0.359 628 I C 1.592 177.627 176.117 -0.136 0.000 1.172 628 I CA -0.047 61.133 61.300 -0.199 0.000 1.577 628 I CB 0.326 38.187 38.000 -0.230 0.000 1.845 628 I HN 0.055 nan 8.210 nan 0.000 0.632 629 R N 1.413 121.850 120.500 -0.105 0.000 2.075 629 R HA 0.163 4.501 4.340 -0.004 0.000 0.232 629 R C 0.533 176.794 176.300 -0.066 0.000 1.126 629 R CA 1.053 57.107 56.100 -0.077 0.000 0.963 629 R CB -0.568 29.694 30.300 -0.063 0.000 0.858 629 R HN 0.277 nan 8.270 nan 0.000 0.435 630 L N 1.328 122.516 121.223 -0.059 0.000 2.275 630 L HA 0.155 4.492 4.340 -0.004 0.000 0.288 630 L C 1.545 178.396 176.870 -0.031 0.000 1.046 630 L CA -0.517 54.300 54.840 -0.038 0.000 0.805 630 L CB 1.676 43.721 42.059 -0.024 0.000 1.193 630 L HN -0.017 nan 8.230 nan 0.000 0.426 631 E N 2.213 122.405 120.200 -0.014 0.000 2.114 631 E HA -0.258 4.090 4.350 -0.004 0.000 0.199 631 E C 1.525 178.140 176.600 0.025 0.000 1.008 631 E CA 1.943 58.354 56.400 0.018 0.000 0.810 631 E CB 0.204 29.918 29.700 0.023 0.000 0.739 631 E HN 0.658 nan 8.360 nan 0.000 0.456 632 E N -0.972 119.233 120.200 0.008 0.000 2.058 632 E HA -0.157 4.191 4.350 -0.004 0.000 0.194 632 E C 2.079 178.669 176.600 -0.017 0.000 0.997 632 E CA 1.093 57.495 56.400 0.002 0.000 0.801 632 E CB -0.401 29.309 29.700 0.016 0.000 0.746 632 E HN 0.464 nan 8.360 nan 0.000 0.450 633 G N 0.839 109.618 108.800 -0.035 0.000 2.464 633 G HA2 -0.230 3.728 3.960 -0.004 0.000 0.217 633 G HA3 -0.230 3.728 3.960 -0.004 0.000 0.217 633 G C 1.507 176.345 174.900 -0.103 0.000 1.138 633 G CA 0.262 45.312 45.100 -0.083 0.000 0.793 633 G HN 0.069 nan 8.290 nan 0.000 0.539 634 R N 0.648 121.116 120.500 -0.053 0.000 2.105 634 R HA -0.030 4.307 4.340 -0.004 0.000 0.239 634 R C 2.255 178.631 176.300 0.126 0.000 1.135 634 R CA 1.316 57.411 56.100 -0.008 0.000 0.967 634 R CB -0.198 30.119 30.300 0.028 0.000 0.861 634 R HN 0.219 nan 8.270 nan 0.000 0.442 635 K N 0.254 120.693 120.400 0.065 0.000 2.360 635 K HA -0.117 4.201 4.320 -0.004 0.000 0.201 635 K C 1.792 178.352 176.600 -0.067 0.000 1.046 635 K CA 0.680 56.901 56.287 -0.110 0.000 0.940 635 K CB -0.027 32.378 32.500 -0.159 0.000 0.748 635 K HN 0.230 nan 8.250 nan 0.000 0.465 636 I N 1.188 121.750 120.570 -0.014 0.000 2.264 636 I HA -0.270 3.898 4.170 -0.004 0.000 0.248 636 I C 1.892 178.110 176.117 0.168 0.000 1.111 636 I CA 1.503 62.827 61.300 0.041 0.000 1.382 636 I CB -0.783 37.219 38.000 0.004 0.000 1.060 636 I HN 0.189 nan 8.210 nan 0.000 0.418 637 R N 0.447 121.032 120.500 0.143 0.000 2.241 637 R HA -0.151 4.187 4.340 -0.004 0.000 0.224 637 R C 1.978 178.503 176.300 0.375 0.000 1.101 637 R CA 0.639 56.896 56.100 0.261 0.000 0.995 637 R CB -0.217 30.044 30.300 -0.064 0.000 0.870 637 R HN 0.568 nan 8.270 nan 0.000 0.463 638 Q N -0.159 119.740 119.800 0.165 0.000 2.364 638 Q HA -0.018 4.320 4.340 -0.004 0.000 0.207 638 Q C 1.845 177.907 176.000 0.103 0.000 0.970 638 Q CA 1.050 56.900 55.803 0.077 0.000 0.888 638 Q CB 0.135 28.769 28.738 -0.173 0.000 0.951 638 Q HN 0.340 nan 8.270 nan 0.000 0.469 639 A N 0.296 123.178 122.820 0.104 0.000 2.119 639 A HA 0.017 4.335 4.320 -0.004 0.000 0.216 639 A C 0.231 177.738 177.584 -0.129 0.000 1.152 639 A CA 0.235 52.240 52.037 -0.055 0.000 0.708 639 A CB 0.035 18.931 19.000 -0.173 0.000 0.805 639 A HN 0.178 nan 8.150 nan 0.000 0.460 640 F N 0.617 120.674 119.950 0.178 0.000 2.390 640 F HA 0.447 4.972 4.527 -0.004 0.000 0.361 640 F C 0.418 176.321 175.800 0.172 0.000 1.124 640 F CA -0.535 57.586 58.000 0.201 0.000 1.149 640 F CB 1.153 40.377 39.000 0.374 0.000 1.160 640 F HN 0.077 nan 8.300 nan 0.000 0.501 641 V N 1.716 121.748 119.914 0.197 0.000 3.158 641 V HA 0.762 4.880 4.120 -0.004 0.000 0.315 641 V C -2.849 173.320 176.094 0.126 0.000 1.148 641 V CA -3.249 59.144 62.300 0.155 0.000 1.042 641 V CB 1.895 33.770 31.823 0.086 0.000 1.101 641 V HN 0.320 nan 8.190 nan 0.000 0.448 642 P HA 0.233 nan 4.420 nan 0.000 0.272 642 P C 0.642 177.956 177.300 0.023 0.000 1.223 642 P CA 0.222 63.402 63.100 0.133 0.000 0.784 642 P CB 0.826 32.655 31.700 0.214 0.000 0.923 643 S N -0.215 115.452 115.700 -0.056 0.000 2.562 643 S HA 0.066 4.534 4.470 -0.004 0.000 0.221 643 S C 0.375 174.795 174.600 -0.301 0.000 0.975 643 S CA 0.385 58.485 58.200 -0.167 0.000 0.918 643 S CB -0.383 62.710 63.200 -0.178 0.000 0.772 643 S HN 0.463 nan 8.310 nan 0.000 0.531 644 E N 0.578 120.534 120.200 -0.406 0.000 2.416 644 E HA 0.465 4.813 4.350 -0.004 0.000 0.273 644 E C -1.186 175.297 176.600 -0.196 0.000 0.935 644 E CA -0.820 55.292 56.400 -0.481 0.000 0.784 644 E CB 2.069 31.115 29.700 -1.089 0.000 1.301 644 E HN 0.105 nan 8.360 nan 0.000 0.454 645 S N 1.740 117.381 115.700 -0.098 0.000 2.549 645 S HA 0.038 4.506 4.470 -0.004 0.000 0.283 645 S C -0.168 174.534 174.600 0.170 0.000 1.320 645 S CA -0.022 58.199 58.200 0.035 0.000 1.058 645 S CB 0.129 63.342 63.200 0.022 0.000 0.882 645 S HN 0.645 nan 8.310 nan 0.000 0.498 646 D N -0.321 120.188 120.400 0.182 0.000 2.981 646 D HA -0.133 4.505 4.640 -0.004 0.000 0.223 646 D C -0.960 175.528 176.300 0.313 0.000 1.151 646 D CA 0.990 55.115 54.000 0.208 0.000 0.827 646 D CB -1.043 39.855 40.800 0.163 0.000 1.101 646 D HN 0.529 nan 8.370 nan 0.000 0.426 647 W N 0.058 121.360 121.300 0.003 0.000 2.655 647 W HA 0.729 5.387 4.660 -0.004 0.000 0.358 647 W C 0.511 177.043 176.519 0.022 0.000 1.100 647 W CA -0.409 56.929 57.345 -0.011 0.000 1.195 647 W CB 0.831 30.276 29.460 -0.026 0.000 1.403 647 W HN -0.173 nan 8.180 nan 0.000 0.589 648 L N 2.777 124.117 121.223 0.195 0.000 2.359 648 L HA 0.506 4.844 4.340 -0.004 0.000 0.256 648 L C -0.718 176.272 176.870 0.200 0.000 1.026 648 L CA -1.363 53.591 54.840 0.190 0.000 0.828 648 L CB 1.731 43.889 42.059 0.163 0.000 1.406 648 L HN -0.001 nan 8.230 nan 0.000 0.413 649 I N 1.444 122.154 120.570 0.233 0.000 2.353 649 I HA 0.276 4.444 4.170 -0.004 0.000 0.293 649 I C -0.687 175.603 176.117 0.290 0.000 0.992 649 I CA -0.021 61.410 61.300 0.218 0.000 1.268 649 I CB 1.048 39.167 38.000 0.198 0.000 1.387 649 I HN 0.319 nan 8.210 nan 0.000 0.478 650 F N 6.042 126.051 119.950 0.098 0.000 2.477 650 F HA 0.719 5.244 4.527 -0.004 0.000 0.335 650 F C -0.345 175.516 175.800 0.101 0.000 1.130 650 F CA -0.611 57.469 58.000 0.133 0.000 0.948 650 F CB 1.426 40.446 39.000 0.032 0.000 1.154 650 F HN 0.494 nan 8.300 nan 0.000 0.439 651 A N 4.715 127.465 122.820 -0.116 0.000 2.343 651 A HA 0.913 5.230 4.320 -0.004 0.000 0.316 651 A C -1.388 176.142 177.584 -0.091 0.000 1.104 651 A CA -0.302 51.743 52.037 0.013 0.000 0.768 651 A CB 0.916 20.004 19.000 0.146 0.000 1.213 651 A HN 1.221 nan 8.150 nan 0.000 0.456 652 A N 3.086 125.936 122.820 0.050 0.000 2.343 652 A HA 0.743 5.061 4.320 -0.004 0.000 0.308 652 A C -1.119 176.464 177.584 -0.002 0.000 1.092 652 A CA -0.535 51.524 52.037 0.038 0.000 0.751 652 A CB 0.953 20.033 19.000 0.133 0.000 1.203 652 A HN 0.900 nan 8.150 nan 0.000 0.452 653 D N 1.475 121.865 120.400 -0.016 0.000 2.619 653 D HA 0.403 5.040 4.640 -0.004 0.000 0.241 653 D C -1.285 174.997 176.300 -0.031 0.000 1.087 653 D CA -0.357 53.645 54.000 0.003 0.000 0.851 653 D CB 0.953 41.808 40.800 0.092 0.000 1.474 653 D HN 0.341 nan 8.370 nan 0.000 0.478 654 Y N 0.574 120.906 120.300 0.054 0.000 2.425 654 Y HA 0.164 4.711 4.550 -0.004 0.000 0.331 654 Y C 1.357 177.270 175.900 0.022 0.000 1.157 654 Y CA 0.164 58.278 58.100 0.023 0.000 1.372 654 Y CB 1.145 39.603 38.460 -0.002 0.000 1.253 654 Y HN 0.316 nan 8.280 nan 0.000 0.536 655 S N 4.581 120.383 115.700 0.170 0.000 2.411 655 S HA 0.134 4.601 4.470 -0.004 0.000 0.294 655 S C -0.333 174.300 174.600 0.057 0.000 1.115 655 S CA -0.689 57.574 58.200 0.106 0.000 1.071 655 S CB -0.023 63.227 63.200 0.084 0.000 0.967 655 S HN 0.709 nan 8.310 nan 0.000 0.488 656 Q N 2.831 122.665 119.800 0.057 0.000 2.435 656 Q HA -0.222 4.116 4.340 -0.004 0.000 0.312 656 Q C 0.668 176.576 176.000 -0.152 0.000 1.333 656 Q CA 0.751 56.551 55.803 -0.005 0.000 0.883 656 Q CB -2.110 26.670 28.738 0.070 0.000 1.170 656 Q HN 0.920 nan 8.270 nan 0.000 0.443 657 I N -0.584 119.919 120.570 -0.111 0.000 2.286 657 I HA -0.294 3.874 4.170 -0.004 0.000 0.248 657 I C 1.708 177.670 176.117 -0.258 0.000 1.115 657 I CA 1.722 62.880 61.300 -0.236 0.000 1.392 657 I CB 0.353 38.163 38.000 -0.317 0.000 1.065 657 I HN 0.252 nan 8.210 nan 0.000 0.418 658 E N 0.926 121.009 120.200 -0.195 0.000 2.051 658 E HA -0.215 4.133 4.350 -0.004 0.000 0.192 658 E C 2.122 178.613 176.600 -0.182 0.000 0.991 658 E CA 1.486 57.765 56.400 -0.201 0.000 0.799 658 E CB -0.337 29.224 29.700 -0.233 0.000 0.748 658 E HN 0.484 nan 8.360 nan 0.000 0.449 659 L N 0.164 121.302 121.223 -0.140 0.000 2.201 659 L HA -0.090 4.247 4.340 -0.004 0.000 0.212 659 L C 2.365 179.150 176.870 -0.142 0.000 1.105 659 L CA 0.927 55.746 54.840 -0.034 0.000 0.775 659 L CB -0.168 42.008 42.059 0.196 0.000 0.913 659 L HN 0.050 nan 8.230 nan 0.000 0.440 660 R N -0.867 119.317 120.500 -0.527 0.000 2.090 660 R HA -0.094 4.244 4.340 -0.004 0.000 0.228 660 R C 2.258 178.389 176.300 -0.283 0.000 1.110 660 R CA 0.919 56.607 56.100 -0.686 0.000 0.973 660 R CB -0.330 29.494 30.300 -0.793 0.000 0.869 660 R HN 0.131 nan 8.270 nan 0.000 0.440 661 V N 1.391 121.156 119.914 -0.248 0.000 2.343 661 V HA -0.227 3.891 4.120 -0.004 0.000 0.247 661 V C 2.152 178.174 176.094 -0.119 0.000 1.051 661 V CA 1.503 63.699 62.300 -0.173 0.000 1.036 661 V CB -0.411 31.294 31.823 -0.196 0.000 0.654 661 V HN 0.252 nan 8.190 nan 0.000 0.451 662 L N 1.019 122.159 121.223 -0.139 0.000 2.046 662 L HA -0.099 4.239 4.340 -0.004 0.000 0.208 662 L C 2.434 179.240 176.870 -0.107 0.000 1.077 662 L CA 2.428 57.172 54.840 -0.159 0.000 0.747 662 L CB -1.028 40.974 42.059 -0.095 0.000 0.896 662 L HN 0.221 nan 8.230 nan 0.000 0.432 663 A N -1.282 121.536 122.820 -0.003 0.000 1.902 663 A HA -0.312 4.005 4.320 -0.004 0.000 0.217 663 A C 2.287 179.884 177.584 0.022 0.000 1.181 663 A CA 1.884 53.961 52.037 0.066 0.000 0.623 663 A CB -1.070 18.055 19.000 0.208 0.000 0.818 663 A HN 0.758 nan 8.150 nan 0.000 0.443 664 H N 0.734 119.752 119.070 -0.088 0.000 2.299 664 H HA -0.091 4.463 4.556 -0.004 0.000 0.302 664 H C 1.873 177.129 175.328 -0.119 0.000 1.078 664 H CA 2.192 58.184 56.048 -0.094 0.000 1.323 664 H CB -0.328 29.364 29.762 -0.116 0.000 1.381 664 H HN 0.530 nan 8.280 nan 0.000 0.498 665 I N -1.669 118.792 120.570 -0.181 0.000 2.394 665 I HA 0.011 4.179 4.170 -0.004 0.000 0.251 665 I C 2.305 178.223 176.117 -0.330 0.000 1.136 665 I CA 1.546 62.669 61.300 -0.295 0.000 1.425 665 I CB -0.469 37.336 38.000 -0.326 0.000 1.079 665 I HN 0.310 nan 8.210 nan 0.000 0.425 666 A N 0.402 123.027 122.820 -0.326 0.000 2.132 666 A HA 0.050 4.368 4.320 -0.004 0.000 0.213 666 A C 1.178 178.732 177.584 -0.051 0.000 1.154 666 A CA 0.326 52.272 52.037 -0.153 0.000 0.753 666 A CB -0.507 18.444 19.000 -0.080 0.000 0.826 666 A HN 0.599 nan 8.150 nan 0.000 0.469 667 E N 0.628 120.774 120.200 -0.089 0.000 2.360 667 E HA -0.190 4.158 4.350 -0.004 0.000 0.238 667 E C -0.617 175.992 176.600 0.015 0.000 1.186 667 E CA 0.637 57.006 56.400 -0.051 0.000 0.719 667 E CB -1.312 28.348 29.700 -0.067 0.000 1.236 667 E HN 0.725 nan 8.360 nan 0.000 0.386 668 D N 0.622 121.053 120.400 0.052 0.000 2.339 668 D HA -0.011 4.627 4.640 -0.004 0.000 0.256 668 D C 0.788 177.148 176.300 0.098 0.000 1.214 668 D CA -0.216 53.847 54.000 0.105 0.000 0.877 668 D CB 0.747 41.654 40.800 0.179 0.000 1.111 668 D HN 0.027 nan 8.370 nan 0.000 0.478 669 D N 3.456 123.897 120.400 0.068 0.000 2.104 669 D HA -0.211 4.427 4.640 -0.004 0.000 0.194 669 D C 1.497 177.831 176.300 0.057 0.000 0.994 669 D CA 1.048 55.076 54.000 0.047 0.000 0.830 669 D CB 0.007 40.819 40.800 0.020 0.000 0.959 669 D HN 0.488 nan 8.370 nan 0.000 0.452 670 N N 0.198 118.936 118.700 0.062 0.000 2.084 670 N HA -0.126 4.611 4.740 -0.004 0.000 0.190 670 N C 1.690 177.297 175.510 0.162 0.000 1.030 670 N CA 0.527 53.606 53.050 0.048 0.000 0.849 670 N CB -0.354 38.065 38.487 -0.114 0.000 1.012 670 N HN 0.040 nan 8.380 nan 0.000 0.423 671 L N 0.427 121.820 121.223 0.283 0.000 2.056 671 L HA 0.070 4.408 4.340 -0.004 0.000 0.207 671 L C 2.162 179.112 176.870 0.133 0.000 1.078 671 L CA 1.419 56.363 54.840 0.173 0.000 0.749 671 L CB -0.547 41.579 42.059 0.112 0.000 0.901 671 L HN 0.276 nan 8.230 nan 0.000 0.433 672 M N -1.125 118.567 119.600 0.154 0.000 2.086 672 M HA -0.219 4.259 4.480 -0.004 0.000 0.261 672 M C 2.170 178.543 176.300 0.122 0.000 1.067 672 M CA 1.926 57.324 55.300 0.164 0.000 1.116 672 M CB -0.423 32.242 32.600 0.107 0.000 1.348 672 M HN 0.224 nan 8.290 nan 0.000 0.407 673 E N 0.825 121.066 120.200 0.068 0.000 2.110 673 E HA -0.150 4.198 4.350 -0.004 0.000 0.193 673 E C 1.809 178.412 176.600 0.005 0.000 0.988 673 E CA 1.854 58.275 56.400 0.036 0.000 0.804 673 E CB -0.170 29.538 29.700 0.014 0.000 0.745 673 E HN 0.400 nan 8.360 nan 0.000 0.458 674 A N -0.269 122.522 122.820 -0.049 0.000 1.883 674 A HA -0.151 4.166 4.320 -0.004 0.000 0.217 674 A C 2.036 179.499 177.584 -0.202 0.000 1.186 674 A CA 1.615 53.549 52.037 -0.172 0.000 0.624 674 A CB -0.932 17.886 19.000 -0.303 0.000 0.822 674 A HN 0.375 nan 8.150 nan 0.000 0.444 675 F N -0.378 119.583 119.950 0.017 0.000 2.259 675 F HA 0.029 4.554 4.527 -0.003 0.000 0.298 675 F C 2.447 178.253 175.800 0.010 0.000 1.088 675 F CA 1.057 59.060 58.000 0.005 0.000 1.358 675 F CB -0.341 38.658 39.000 -0.002 0.000 1.040 675 F HN 0.108 nan 8.300 nan 0.000 0.505 676 R N -0.133 120.468 120.500 0.169 0.000 2.148 676 R HA -0.055 4.283 4.340 -0.004 0.000 0.227 676 R C 1.832 178.175 176.300 0.072 0.000 1.103 676 R CA 0.913 57.076 56.100 0.106 0.000 0.983 676 R CB -0.185 30.160 30.300 0.076 0.000 0.874 676 R HN 0.225 nan 8.270 nan 0.000 0.451 677 R N 0.226 120.756 120.500 0.050 0.000 2.317 677 R HA -0.013 4.324 4.340 -0.004 0.000 0.208 677 R C -0.138 176.182 176.300 0.033 0.000 0.914 677 R CA 0.174 56.290 56.100 0.027 0.000 1.060 677 R CB 0.134 30.435 30.300 0.001 0.000 1.015 677 R HN 0.051 nan 8.270 nan 0.000 0.498 678 D N 1.027 121.468 120.400 0.068 0.000 2.708 678 D HA -0.170 4.468 4.640 -0.004 0.000 0.236 678 D C -0.742 175.577 176.300 0.031 0.000 1.146 678 D CA 0.514 54.567 54.000 0.088 0.000 0.662 678 D CB -0.951 39.896 40.800 0.078 0.000 1.059 678 D HN 0.182 nan 8.370 nan 0.000 0.428 679 L N 0.010 121.215 121.223 -0.030 0.000 2.464 679 L HA 0.180 4.518 4.340 -0.004 0.000 0.264 679 L C 1.219 178.045 176.870 -0.073 0.000 1.199 679 L CA -0.293 54.511 54.840 -0.059 0.000 0.818 679 L CB 0.335 42.335 42.059 -0.099 0.000 1.102 679 L HN 0.150 nan 8.230 nan 0.000 0.473 680 D N 1.480 121.849 120.400 -0.051 0.000 2.346 680 D HA -0.024 4.614 4.640 -0.004 0.000 0.260 680 D C 0.774 177.005 176.300 -0.115 0.000 1.252 680 D CA -0.115 53.853 54.000 -0.054 0.000 0.895 680 D CB 1.085 41.881 40.800 -0.007 0.000 1.097 680 D HN 0.383 nan 8.370 nan 0.000 0.489 681 I N 5.411 125.850 120.570 -0.219 0.000 2.394 681 I HA -0.243 3.925 4.170 -0.004 0.000 0.251 681 I C 1.814 177.831 176.117 -0.167 0.000 1.136 681 I CA 1.334 62.462 61.300 -0.286 0.000 1.425 681 I CB -0.202 37.587 38.000 -0.352 0.000 1.079 681 I HN 0.494 nan 8.210 nan 0.000 0.425 682 H N -0.631 118.451 119.070 0.020 0.000 2.363 682 H HA -0.009 4.544 4.556 -0.004 0.000 0.301 682 H C 2.216 177.566 175.328 0.038 0.000 1.074 682 H CA 1.825 57.896 56.048 0.037 0.000 1.354 682 H CB -0.977 28.812 29.762 0.045 0.000 1.397 682 H HN 0.270 nan 8.280 nan 0.000 0.516 683 T N 1.221 115.853 114.554 0.129 0.000 2.746 683 T HA -0.132 4.216 4.350 -0.004 0.000 0.267 683 T C 2.108 176.844 174.700 0.061 0.000 1.039 683 T CA 1.700 63.853 62.100 0.088 0.000 1.142 683 T CB 0.061 68.961 68.868 0.054 0.000 0.866 683 T HN 0.161 nan 8.240 nan 0.000 0.444 684 K N 1.298 121.712 120.400 0.023 0.000 2.057 684 K HA -0.069 4.249 4.320 -0.004 0.000 0.207 684 K C 2.226 178.858 176.600 0.054 0.000 1.049 684 K CA 1.753 58.046 56.287 0.010 0.000 0.931 684 K CB -0.991 31.484 32.500 -0.041 0.000 0.714 684 K HN 0.226 nan 8.250 nan 0.000 0.440 685 T N 0.438 115.049 114.554 0.095 0.000 2.746 685 T HA -0.084 4.264 4.350 -0.004 0.000 0.267 685 T C 1.803 176.524 174.700 0.034 0.000 1.039 685 T CA 1.396 63.584 62.100 0.148 0.000 1.142 685 T CB -0.511 68.469 68.868 0.187 0.000 0.866 685 T HN 0.403 nan 8.240 nan 0.000 0.444 686 A N 1.448 124.305 122.820 0.063 0.000 1.877 686 A HA -0.073 4.245 4.320 -0.004 0.000 0.216 686 A C 2.337 179.986 177.584 0.107 0.000 1.186 686 A CA 1.616 53.717 52.037 0.107 0.000 0.620 686 A CB -0.739 18.411 19.000 0.249 0.000 0.822 686 A HN 0.451 nan 8.150 nan 0.000 0.443 687 M N -0.406 119.241 119.600 0.079 0.000 2.106 687 M HA -0.199 4.279 4.480 -0.004 0.000 0.259 687 M C 1.493 177.789 176.300 -0.007 0.000 1.068 687 M CA 1.865 57.196 55.300 0.053 0.000 1.100 687 M CB -0.509 32.103 32.600 0.020 0.000 1.351 687 M HN 0.371 nan 8.290 nan 0.000 0.404 688 D N 0.216 120.570 120.400 -0.077 0.000 2.120 688 D HA -0.017 4.621 4.640 -0.004 0.000 0.202 688 D C 1.986 178.176 176.300 -0.183 0.000 0.972 688 D CA 1.249 55.151 54.000 -0.164 0.000 0.837 688 D CB -0.215 40.400 40.800 -0.309 0.000 0.989 688 D HN 0.367 nan 8.370 nan 0.000 0.469 689 I N 0.079 120.494 120.570 -0.259 0.000 2.286 689 I HA -0.226 3.942 4.170 -0.004 0.000 0.248 689 I C 1.305 177.203 176.117 -0.366 0.000 1.115 689 I CA 0.914 61.986 61.300 -0.380 0.000 1.392 689 I CB -0.047 37.575 38.000 -0.630 0.000 1.065 689 I HN -0.108 nan 8.210 nan 0.000 0.418 690 F N 0.480 120.449 119.950 0.032 0.000 2.695 690 F HA 0.183 4.708 4.527 -0.004 0.000 0.303 690 F C 0.665 176.478 175.800 0.021 0.000 1.091 690 F CA -0.580 57.444 58.000 0.040 0.000 1.300 690 F CB -0.675 38.343 39.000 0.030 0.000 1.071 690 F HN 0.029 nan 8.300 nan 0.000 0.578 691 Q N 0.720 120.587 119.800 0.111 0.000 2.454 691 Q HA -0.119 4.219 4.340 -0.004 0.000 0.341 691 Q C -0.640 175.404 176.000 0.074 0.000 1.437 691 Q CA 0.488 56.327 55.803 0.060 0.000 0.935 691 Q CB -1.834 26.934 28.738 0.050 0.000 1.164 691 Q HN 0.335 nan 8.270 nan 0.000 0.373 692 V N -3.317 116.643 119.914 0.078 0.000 3.159 692 V HA 0.863 4.981 4.120 -0.004 0.000 0.308 692 V C 0.392 176.510 176.094 0.040 0.000 1.190 692 V CA -0.483 61.854 62.300 0.062 0.000 1.037 692 V CB 2.192 34.064 31.823 0.082 0.000 1.060 692 V HN 0.411 nan 8.190 nan 0.000 0.437 693 S N -0.194 115.522 115.700 0.027 0.000 2.624 693 S HA 0.302 4.770 4.470 -0.004 0.000 0.263 693 S C 0.941 175.554 174.600 0.022 0.000 1.287 693 S CA 0.584 58.794 58.200 0.016 0.000 0.990 693 S CB 1.010 64.216 63.200 0.010 0.000 0.950 693 S HN 1.063 nan 8.310 nan 0.000 0.561 694 E N 0.408 120.617 120.200 0.015 0.000 2.085 694 E HA -0.229 4.119 4.350 -0.004 0.000 0.194 694 E C 0.794 177.404 176.600 0.017 0.000 0.994 694 E CA 1.692 58.102 56.400 0.017 0.000 0.801 694 E CB -0.280 29.425 29.700 0.009 0.000 0.743 694 E HN 0.725 nan 8.360 nan 0.000 0.453 695 D N 0.351 120.758 120.400 0.012 0.000 2.263 695 D HA -0.126 4.512 4.640 -0.004 0.000 0.208 695 D C 1.117 177.422 176.300 0.008 0.000 0.971 695 D CA 0.863 54.867 54.000 0.008 0.000 0.867 695 D CB -0.084 40.719 40.800 0.005 0.000 0.929 695 D HN 0.364 nan 8.370 nan 0.000 0.492 696 E N -0.091 120.117 120.200 0.013 0.000 2.489 696 E HA 0.055 4.402 4.350 -0.004 0.000 0.193 696 E C 0.001 176.609 176.600 0.013 0.000 1.057 696 E CA -0.096 56.310 56.400 0.011 0.000 0.866 696 E CB 0.823 30.533 29.700 0.017 0.000 0.916 696 E HN 0.003 nan 8.360 nan 0.000 0.500 697 V N 3.175 123.105 119.914 0.026 0.000 2.439 697 V HA 0.000 4.118 4.120 -0.004 0.000 0.271 697 V C 0.744 176.843 176.094 0.009 0.000 1.040 697 V CA 0.009 62.330 62.300 0.036 0.000 1.002 697 V CB 0.414 32.273 31.823 0.061 0.000 1.000 697 V HN 0.224 nan 8.190 nan 0.000 0.477 698 T N 3.716 118.259 114.554 -0.020 0.000 2.874 698 T HA 0.350 4.698 4.350 -0.004 0.000 0.281 698 T C -1.689 172.996 174.700 -0.024 0.000 0.994 698 T CA -1.875 60.206 62.100 -0.031 0.000 1.015 698 T CB 1.462 70.293 68.868 -0.060 0.000 1.028 698 T HN 0.358 nan 8.240 nan 0.000 0.523 699 P HA -0.073 nan 4.420 nan 0.000 0.216 699 P C 1.398 178.680 177.300 -0.029 0.000 1.150 699 P CA 0.910 63.999 63.100 -0.019 0.000 0.837 699 P CB -0.017 31.670 31.700 -0.022 0.000 0.786 700 N N -1.457 117.214 118.700 -0.048 0.000 2.270 700 N HA -0.068 4.670 4.740 -0.004 0.000 0.181 700 N C 1.624 177.090 175.510 -0.074 0.000 1.016 700 N CA 1.076 54.090 53.050 -0.061 0.000 0.870 700 N CB -0.543 37.901 38.487 -0.072 0.000 0.979 700 N HN 0.019 nan 8.380 nan 0.000 0.431 701 M N -0.343 119.197 119.600 -0.099 0.000 2.086 701 M HA -0.122 4.356 4.480 -0.004 0.000 0.261 701 M C 2.288 178.656 176.300 0.112 0.000 1.067 701 M CA 1.299 56.547 55.300 -0.086 0.000 1.116 701 M CB -0.173 32.351 32.600 -0.127 0.000 1.348 701 M HN 0.126 nan 8.290 nan 0.000 0.407 702 R N 0.311 120.851 120.500 0.068 0.000 2.081 702 R HA -0.174 4.163 4.340 -0.004 0.000 0.235 702 R C 2.308 178.620 176.300 0.021 0.000 1.131 702 R CA 1.694 57.841 56.100 0.078 0.000 0.960 702 R CB -0.228 30.109 30.300 0.062 0.000 0.856 702 R HN 0.262 nan 8.270 nan 0.000 0.436 703 R N 0.426 120.916 120.500 -0.017 0.000 2.083 703 R HA -0.186 4.151 4.340 -0.004 0.000 0.237 703 R C 2.159 178.422 176.300 -0.063 0.000 1.137 703 R CA 2.146 58.211 56.100 -0.059 0.000 0.951 703 R CB -0.133 30.135 30.300 -0.054 0.000 0.851 703 R HN 0.422 nan 8.270 nan 0.000 0.434 704 Q N -0.593 119.188 119.800 -0.033 0.000 2.119 704 Q HA -0.078 4.260 4.340 -0.004 0.000 0.201 704 Q C 2.107 178.063 176.000 -0.073 0.000 0.972 704 Q CA 1.330 57.097 55.803 -0.061 0.000 0.847 704 Q CB -0.009 28.680 28.738 -0.082 0.000 0.903 704 Q HN 0.451 nan 8.270 nan 0.000 0.433 705 A N 1.615 124.438 122.820 0.005 0.000 1.930 705 A HA -0.192 4.126 4.320 -0.004 0.000 0.217 705 A C 2.016 179.611 177.584 0.019 0.000 1.175 705 A CA 1.440 53.480 52.037 0.005 0.000 0.627 705 A CB -0.340 18.710 19.000 0.084 0.000 0.815 705 A HN 0.201 nan 8.150 nan 0.000 0.443 706 K N -0.195 120.158 120.400 -0.079 0.000 2.097 706 K HA -0.035 4.283 4.320 -0.004 0.000 0.205 706 K C 2.044 178.574 176.600 -0.118 0.000 1.050 706 K CA 1.120 57.211 56.287 -0.327 0.000 0.938 706 K CB -0.288 31.835 32.500 -0.628 0.000 0.718 706 K HN 0.350 nan 8.250 nan 0.000 0.442 707 A N 0.564 123.342 122.820 -0.071 0.000 1.930 707 A HA -0.063 4.255 4.320 -0.004 0.000 0.217 707 A C 2.160 179.790 177.584 0.077 0.000 1.175 707 A CA 1.277 53.314 52.037 -0.001 0.000 0.627 707 A CB -0.408 18.570 19.000 -0.036 0.000 0.815 707 A HN 0.162 nan 8.150 nan 0.000 0.443 708 V N 0.942 120.860 119.914 0.008 0.000 2.358 708 V HA -0.227 3.891 4.120 -0.004 0.000 0.246 708 V C 2.260 178.318 176.094 -0.060 0.000 1.047 708 V CA 2.023 64.302 62.300 -0.036 0.000 1.035 708 V CB -0.886 30.887 31.823 -0.084 0.000 0.658 708 V HN 0.539 nan 8.190 nan 0.000 0.452 709 N N -0.232 118.480 118.700 0.019 0.000 2.166 709 N HA -0.162 4.576 4.740 -0.004 0.000 0.186 709 N C 1.694 177.245 175.510 0.068 0.000 1.019 709 N CA 1.501 54.574 53.050 0.038 0.000 0.856 709 N CB -0.442 38.179 38.487 0.224 0.000 0.993 709 N HN 0.540 nan 8.380 nan 0.000 0.426 710 F N 1.480 121.438 119.950 0.015 0.000 2.134 710 F HA -0.039 4.486 4.527 -0.003 0.000 0.299 710 F C 2.233 178.088 175.800 0.090 0.000 1.097 710 F CA 1.638 59.689 58.000 0.084 0.000 1.264 710 F CB -0.599 38.463 39.000 0.102 0.000 1.001 710 F HN 0.009 nan 8.300 nan 0.000 0.479 711 G N 0.544 109.454 108.800 0.184 0.000 2.432 711 G HA2 -0.209 3.749 3.960 -0.004 0.000 0.219 711 G HA3 -0.209 3.749 3.960 -0.004 0.000 0.219 711 G C 1.755 176.614 174.900 -0.068 0.000 1.135 711 G CA 1.165 46.313 45.100 0.080 0.000 0.767 711 G HN 0.487 nan 8.290 nan 0.000 0.550 712 I N 0.147 120.631 120.570 -0.143 0.000 2.333 712 I HA -0.090 4.078 4.170 -0.004 0.000 0.246 712 I C 2.702 178.692 176.117 -0.212 0.000 1.106 712 I CA 0.290 61.479 61.300 -0.185 0.000 1.411 712 I CB -0.146 37.685 38.000 -0.281 0.000 1.082 712 I HN 0.003 nan 8.210 nan 0.000 0.420 713 V N 0.089 119.814 119.914 -0.315 0.000 2.343 713 V HA -0.284 3.833 4.120 -0.004 0.000 0.247 713 V C 1.674 177.335 176.094 -0.722 0.000 1.051 713 V CA 1.927 63.905 62.300 -0.536 0.000 1.036 713 V CB -0.664 30.732 31.823 -0.712 0.000 0.654 713 V HN 0.380 nan 8.190 nan 0.000 0.451 714 Y N 0.037 120.130 120.300 -0.346 0.000 2.485 714 Y HA 0.486 5.034 4.550 -0.004 0.000 0.260 714 Y C 1.708 177.523 175.900 -0.142 0.000 1.173 714 Y CA -0.164 57.762 58.100 -0.291 0.000 1.252 714 Y CB -0.223 37.942 38.460 -0.491 0.000 1.123 714 Y HN 0.289 nan 8.280 nan 0.000 0.524 715 G N 2.318 111.097 108.800 -0.035 0.000 2.371 715 G HA2 -0.311 3.646 3.960 -0.004 0.000 0.299 715 G HA3 -0.311 3.646 3.960 -0.004 0.000 0.299 715 G C 0.263 175.213 174.900 0.082 0.000 1.014 715 G CA 0.565 45.672 45.100 0.012 0.000 1.097 715 G HN 0.592 nan 8.290 nan 0.000 0.512 716 I N -1.385 119.245 120.570 0.100 0.000 2.612 716 I HA 0.703 4.871 4.170 -0.004 0.000 0.295 716 I C 0.871 177.081 176.117 0.156 0.000 1.011 716 I CA -0.418 60.976 61.300 0.157 0.000 1.326 716 I CB 1.376 39.489 38.000 0.188 0.000 1.427 716 I HN 0.365 nan 8.210 nan 0.000 0.537 717 S N 2.612 118.430 115.700 0.197 0.000 2.576 717 S HA -0.027 4.441 4.470 -0.004 0.000 0.272 717 S C 0.915 175.636 174.600 0.201 0.000 1.352 717 S CA 0.033 58.356 58.200 0.204 0.000 1.021 717 S CB 0.841 64.192 63.200 0.253 0.000 0.887 717 S HN 0.864 nan 8.310 nan 0.000 0.542 718 D N 0.208 120.725 120.400 0.195 0.000 2.351 718 D HA -0.219 4.419 4.640 -0.004 0.000 0.216 718 D C 1.202 177.620 176.300 0.197 0.000 0.968 718 D CA 1.021 55.127 54.000 0.177 0.000 0.899 718 D CB -0.420 40.484 40.800 0.175 0.000 0.907 718 D HN 0.773 nan 8.370 nan 0.000 0.514 719 Y N 1.293 121.661 120.300 0.112 0.000 2.269 719 Y HA 0.208 4.756 4.550 -0.004 0.000 0.294 719 Y C 2.553 178.512 175.900 0.099 0.000 1.120 719 Y CA 1.662 59.822 58.100 0.101 0.000 1.159 719 Y CB -0.361 38.159 38.460 0.100 0.000 1.024 719 Y HN -0.027 nan 8.280 nan 0.000 0.532 720 G N 0.663 109.511 108.800 0.080 0.000 2.443 720 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.219 720 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.219 720 G C 1.494 176.391 174.900 -0.006 0.000 1.131 720 G CA 0.995 46.092 45.100 -0.005 0.000 0.775 720 G HN 0.450 nan 8.290 nan 0.000 0.547 721 L N 1.112 122.366 121.223 0.051 0.000 2.109 721 L HA 0.283 4.621 4.340 -0.004 0.000 0.207 721 L C 2.971 179.863 176.870 0.037 0.000 1.086 721 L CA 1.883 56.769 54.840 0.076 0.000 0.760 721 L CB -0.583 41.545 42.059 0.114 0.000 0.910 721 L HN 0.193 nan 8.230 nan 0.000 0.437 722 A N -1.088 121.725 122.820 -0.012 0.000 1.877 722 A HA -0.196 4.121 4.320 -0.004 0.000 0.216 722 A C 2.140 179.673 177.584 -0.085 0.000 1.186 722 A CA 1.493 53.513 52.037 -0.029 0.000 0.620 722 A CB -0.534 18.436 19.000 -0.052 0.000 0.822 722 A HN 0.556 nan 8.150 nan 0.000 0.443 723 Q N 0.282 119.960 119.800 -0.203 0.000 2.096 723 Q HA -0.164 4.174 4.340 -0.004 0.000 0.204 723 Q C 1.793 177.745 176.000 -0.079 0.000 0.982 723 Q CA 1.567 57.263 55.803 -0.178 0.000 0.850 723 Q CB -0.612 27.968 28.738 -0.264 0.000 0.901 723 Q HN 0.674 nan 8.270 nan 0.000 0.422 724 N N 0.379 119.045 118.700 -0.056 0.000 2.188 724 N HA -0.065 4.673 4.740 -0.004 0.000 0.184 724 N C 1.714 177.208 175.510 -0.028 0.000 1.018 724 N CA 0.800 53.825 53.050 -0.043 0.000 0.858 724 N CB -0.024 38.441 38.487 -0.037 0.000 0.989 724 N HN 0.250 nan 8.380 nan 0.000 0.426 725 L N 0.490 121.716 121.223 0.005 0.000 2.592 725 L HA 0.099 4.437 4.340 -0.004 0.000 0.227 725 L C 0.121 177.014 176.870 0.037 0.000 1.127 725 L CA -0.139 54.721 54.840 0.034 0.000 0.884 725 L CB -0.465 41.654 42.059 0.099 0.000 1.065 725 L HN 0.124 nan 8.230 nan 0.000 0.457 726 N N 1.585 120.292 118.700 0.013 0.000 2.705 726 N HA -0.222 4.515 4.740 -0.004 0.000 0.255 726 N C -0.469 175.061 175.510 0.033 0.000 1.008 726 N CA 0.752 53.809 53.050 0.013 0.000 0.742 726 N CB -0.994 37.501 38.487 0.014 0.000 0.906 726 N HN 0.607 nan 8.380 nan 0.000 0.541 727 I N -4.187 116.407 120.570 0.040 0.000 3.457 727 I HA 0.649 4.817 4.170 -0.004 0.000 0.307 727 I C 0.281 176.418 176.117 0.033 0.000 1.138 727 I CA -0.997 60.334 61.300 0.053 0.000 0.974 727 I CB 1.709 39.772 38.000 0.105 0.000 1.324 727 I HN 0.152 nan 8.210 nan 0.000 0.485 728 S N 1.337 117.053 115.700 0.026 0.000 2.584 728 S HA 0.314 4.782 4.470 -0.004 0.000 0.273 728 S C 1.016 175.634 174.600 0.031 0.000 1.311 728 S CA -0.577 57.638 58.200 0.026 0.000 1.034 728 S CB 1.668 64.878 63.200 0.017 0.000 0.939 728 S HN 0.839 nan 8.310 nan 0.000 0.513 729 R N 1.914 122.451 120.500 0.061 0.000 2.103 729 R HA -0.159 4.179 4.340 -0.004 0.000 0.242 729 R C 1.965 178.300 176.300 0.059 0.000 1.142 729 R CA 2.183 58.337 56.100 0.090 0.000 0.960 729 R CB -0.949 29.438 30.300 0.145 0.000 0.858 729 R HN 0.917 nan 8.270 nan 0.000 0.439 730 K N 0.528 120.947 120.400 0.033 0.000 2.057 730 K HA -0.152 4.166 4.320 -0.004 0.000 0.207 730 K C 1.847 178.418 176.600 -0.047 0.000 1.049 730 K CA 1.812 58.103 56.287 0.006 0.000 0.931 730 K CB -0.014 32.485 32.500 -0.000 0.000 0.714 730 K HN 0.327 nan 8.250 nan 0.000 0.440 731 E N -0.153 119.994 120.200 -0.087 0.000 2.107 731 E HA -0.139 4.209 4.350 -0.004 0.000 0.191 731 E C 1.970 178.378 176.600 -0.320 0.000 0.982 731 E CA 0.796 57.052 56.400 -0.240 0.000 0.809 731 E CB -0.041 29.530 29.700 -0.214 0.000 0.756 731 E HN 0.409 nan 8.360 nan 0.000 0.459 732 A N 1.742 124.519 122.820 -0.072 0.000 1.877 732 A HA -0.104 4.213 4.320 -0.004 0.000 0.216 732 A C 2.431 180.064 177.584 0.082 0.000 1.186 732 A CA 1.664 53.753 52.037 0.087 0.000 0.620 732 A CB -0.644 18.428 19.000 0.120 0.000 0.822 732 A HN 0.282 nan 8.150 nan 0.000 0.443 733 A N -0.531 122.322 122.820 0.054 0.000 1.972 733 A HA -0.177 4.141 4.320 -0.004 0.000 0.219 733 A C 1.971 179.588 177.584 0.056 0.000 1.169 733 A CA 1.823 53.909 52.037 0.081 0.000 0.635 733 A CB -0.506 18.547 19.000 0.088 0.000 0.810 733 A HN 0.684 nan 8.150 nan 0.000 0.446 734 E N -1.260 118.915 120.200 -0.041 0.000 2.110 734 E HA -0.170 4.178 4.350 -0.004 0.000 0.193 734 E C 1.499 178.094 176.600 -0.010 0.000 0.988 734 E CA 1.199 57.552 56.400 -0.079 0.000 0.804 734 E CB -0.178 29.390 29.700 -0.219 0.000 0.745 734 E HN 0.588 nan 8.360 nan 0.000 0.458 735 F N 0.682 120.666 119.950 0.056 0.000 2.163 735 F HA -0.144 4.381 4.527 -0.004 0.000 0.297 735 F C 2.160 177.956 175.800 -0.006 0.000 1.094 735 F CA 0.515 58.532 58.000 0.029 0.000 1.290 735 F CB -0.450 38.573 39.000 0.038 0.000 1.017 735 F HN 0.102 nan 8.300 nan 0.000 0.483 736 I N 0.291 120.959 120.570 0.164 0.000 2.118 736 I HA -0.318 3.850 4.170 -0.004 0.000 0.241 736 I C 2.431 178.526 176.117 -0.036 0.000 1.070 736 I CA 1.655 62.926 61.300 -0.049 0.000 1.327 736 I CB -1.446 36.553 38.000 -0.002 0.000 1.034 736 I HN 0.272 nan 8.210 nan 0.000 0.405 737 E N 0.831 121.118 120.200 0.145 0.000 2.085 737 E HA -0.298 4.050 4.350 -0.004 0.000 0.194 737 E C 2.337 179.053 176.600 0.194 0.000 0.994 737 E CA 1.496 58.037 56.400 0.236 0.000 0.801 737 E CB 0.010 29.814 29.700 0.172 0.000 0.743 737 E HN 0.175 nan 8.360 nan 0.000 0.453 738 R N -0.409 120.178 120.500 0.145 0.000 2.092 738 R HA -0.160 4.178 4.340 -0.004 0.000 0.231 738 R C 2.108 178.458 176.300 0.083 0.000 1.119 738 R CA 1.551 57.715 56.100 0.106 0.000 0.970 738 R CB -0.874 29.492 30.300 0.111 0.000 0.864 738 R HN 0.345 nan 8.270 nan 0.000 0.440 739 Y N -0.314 119.960 120.300 -0.043 0.000 2.145 739 Y HA -0.184 4.364 4.550 -0.004 0.000 0.286 739 Y C 1.439 177.402 175.900 0.103 0.000 1.145 739 Y CA 1.811 59.900 58.100 -0.019 0.000 1.148 739 Y CB -0.367 37.979 38.460 -0.190 0.000 0.981 739 Y HN 0.027 nan 8.280 nan 0.000 0.507 740 F N 0.759 120.934 119.950 0.373 0.000 2.269 740 F HA -0.123 4.402 4.527 -0.004 0.000 0.301 740 F C 2.487 178.339 175.800 0.086 0.000 1.082 740 F CA 1.572 59.727 58.000 0.259 0.000 1.360 740 F CB -0.854 38.276 39.000 0.217 0.000 1.041 740 F HN 0.214 nan 8.300 nan 0.000 0.512 741 E N -0.448 119.869 120.200 0.195 0.000 2.152 741 E HA -0.126 4.222 4.350 -0.004 0.000 0.192 741 E C 2.127 178.678 176.600 -0.082 0.000 0.983 741 E CA 1.133 57.569 56.400 0.060 0.000 0.818 741 E CB 0.032 29.756 29.700 0.039 0.000 0.758 741 E HN 0.218 nan 8.360 nan 0.000 0.467 742 S N -0.486 115.080 115.700 -0.224 0.000 2.446 742 S HA 0.046 4.514 4.470 -0.004 0.000 0.225 742 S C 0.031 174.113 174.600 -0.863 0.000 1.016 742 S CA 0.352 58.203 58.200 -0.581 0.000 0.943 742 S CB 0.170 62.889 63.200 -0.801 0.000 0.786 742 S HN 0.159 nan 8.310 nan 0.000 0.508 743 F N 1.639 121.471 119.950 -0.197 0.000 2.523 743 F HA 0.360 4.885 4.527 -0.004 0.000 0.322 743 F C -1.840 174.007 175.800 0.079 0.000 1.361 743 F CA -2.327 55.603 58.000 -0.116 0.000 1.151 743 F CB 1.105 39.938 39.000 -0.278 0.000 1.391 743 F HN -0.009 nan 8.300 nan 0.000 0.566 744 P HA -0.156 nan 4.420 nan 0.000 0.219 744 P C 1.697 179.082 177.300 0.141 0.000 1.146 744 P CA 1.519 64.697 63.100 0.130 0.000 0.808 744 P CB 0.334 32.065 31.700 0.051 0.000 0.779 745 G N 0.264 109.158 108.800 0.156 0.000 2.408 745 G HA2 -0.168 3.790 3.960 -0.004 0.000 0.217 745 G HA3 -0.168 3.790 3.960 -0.004 0.000 0.217 745 G C 1.722 176.745 174.900 0.205 0.000 1.150 745 G CA 0.536 45.722 45.100 0.144 0.000 0.776 745 G HN 0.180 nan 8.290 nan 0.000 0.542 746 V N 0.751 120.844 119.914 0.298 0.000 2.427 746 V HA -0.129 3.989 4.120 -0.004 0.000 0.248 746 V C 2.653 178.957 176.094 0.349 0.000 1.051 746 V CA 2.158 64.693 62.300 0.391 0.000 1.048 746 V CB -0.335 31.806 31.823 0.531 0.000 0.666 746 V HN 0.421 nan 8.190 nan 0.000 0.456 747 K N 0.360 120.915 120.400 0.258 0.000 2.057 747 K HA -0.227 4.091 4.320 -0.004 0.000 0.207 747 K C 2.415 178.928 176.600 -0.144 0.000 1.049 747 K CA 1.700 57.867 56.287 -0.199 0.000 0.931 747 K CB -0.169 32.203 32.500 -0.214 0.000 0.714 747 K HN 0.325 nan 8.250 nan 0.000 0.440 748 R N -0.341 120.156 120.500 -0.006 0.000 2.081 748 R HA -0.209 4.129 4.340 -0.004 0.000 0.235 748 R C 2.357 178.658 176.300 0.001 0.000 1.131 748 R CA 1.727 57.821 56.100 -0.010 0.000 0.960 748 R CB -0.482 29.837 30.300 0.031 0.000 0.856 748 R HN 0.351 nan 8.270 nan 0.000 0.436 749 Y N 0.838 121.125 120.300 -0.023 0.000 2.181 749 Y HA -0.188 4.360 4.550 -0.004 0.000 0.288 749 Y C 2.072 177.948 175.900 -0.039 0.000 1.146 749 Y CA 1.704 59.791 58.100 -0.021 0.000 1.164 749 Y CB -0.154 38.311 38.460 0.007 0.000 0.982 749 Y HN 0.003 nan 8.280 nan 0.000 0.515 750 M N 0.419 119.827 119.600 -0.320 0.000 2.117 750 M HA -0.203 4.275 4.480 -0.004 0.000 0.262 750 M C 1.933 178.029 176.300 -0.340 0.000 1.065 750 M CA 1.871 56.937 55.300 -0.390 0.000 1.114 750 M CB -1.024 31.471 32.600 -0.176 0.000 1.361 750 M HN 0.436 nan 8.290 nan 0.000 0.408 751 E N 0.128 120.171 120.200 -0.262 0.000 2.047 751 E HA -0.152 4.195 4.350 -0.004 0.000 0.191 751 E C 1.833 178.320 176.600 -0.189 0.000 0.987 751 E CA 0.929 57.209 56.400 -0.200 0.000 0.799 751 E CB -0.163 29.442 29.700 -0.159 0.000 0.752 751 E HN 0.481 nan 8.360 nan 0.000 0.449 752 N N 0.957 119.542 118.700 -0.190 0.000 2.188 752 N HA -0.135 4.603 4.740 -0.004 0.000 0.184 752 N C 1.805 177.194 175.510 -0.202 0.000 1.018 752 N CA 0.680 53.636 53.050 -0.156 0.000 0.858 752 N CB -0.180 38.251 38.487 -0.093 0.000 0.989 752 N HN 0.103 nan 8.380 nan 0.000 0.426 753 I N 0.526 120.887 120.570 -0.347 0.000 2.315 753 I HA -0.130 4.038 4.170 -0.004 0.000 0.248 753 I C 1.830 177.800 176.117 -0.244 0.000 1.117 753 I CA 0.700 61.797 61.300 -0.338 0.000 1.404 753 I CB -0.120 37.517 38.000 -0.605 0.000 1.071 753 I HN -0.154 nan 8.210 nan 0.000 0.419 754 V N 0.352 120.124 119.914 -0.237 0.000 2.358 754 V HA -0.249 3.869 4.120 -0.004 0.000 0.246 754 V C 2.509 178.521 176.094 -0.137 0.000 1.047 754 V CA 1.534 63.731 62.300 -0.172 0.000 1.035 754 V CB -0.729 31.002 31.823 -0.154 0.000 0.658 754 V HN 0.432 nan 8.190 nan 0.000 0.452 755 Q N -0.233 119.488 119.800 -0.132 0.000 2.119 755 Q HA -0.213 4.125 4.340 -0.004 0.000 0.201 755 Q C 2.234 178.167 176.000 -0.111 0.000 0.972 755 Q CA 1.751 57.492 55.803 -0.104 0.000 0.847 755 Q CB -0.276 28.408 28.738 -0.091 0.000 0.903 755 Q HN 0.805 nan 8.270 nan 0.000 0.433 756 E N 0.223 120.344 120.200 -0.133 0.000 2.072 756 E HA -0.135 4.213 4.350 -0.004 0.000 0.191 756 E C 1.825 178.311 176.600 -0.190 0.000 0.985 756 E CA 0.953 57.262 56.400 -0.152 0.000 0.801 756 E CB 0.029 29.640 29.700 -0.149 0.000 0.750 756 E HN 0.265 nan 8.360 nan 0.000 0.452 757 A N 1.379 124.093 122.820 -0.175 0.000 1.933 757 A HA -0.209 4.109 4.320 -0.004 0.000 0.218 757 A C 2.114 179.625 177.584 -0.122 0.000 1.175 757 A CA 1.722 53.658 52.037 -0.168 0.000 0.628 757 A CB -0.448 18.473 19.000 -0.131 0.000 0.814 757 A HN 0.216 nan 8.150 nan 0.000 0.444 758 K N -0.862 119.479 120.400 -0.100 0.000 2.057 758 K HA -0.162 4.156 4.320 -0.004 0.000 0.206 758 K C 2.370 178.933 176.600 -0.061 0.000 1.050 758 K CA 1.368 57.616 56.287 -0.064 0.000 0.935 758 K CB -0.151 32.314 32.500 -0.058 0.000 0.715 758 K HN 0.543 nan 8.250 nan 0.000 0.439 759 Q N 1.038 120.787 119.800 -0.085 0.000 2.049 759 Q HA -0.148 4.189 4.340 -0.004 0.000 0.198 759 Q C 1.473 177.422 176.000 -0.086 0.000 0.971 759 Q CA 1.665 57.422 55.803 -0.076 0.000 0.833 759 Q CB 0.164 28.853 28.738 -0.081 0.000 0.896 759 Q HN 0.264 nan 8.270 nan 0.000 0.434 760 K N -1.451 118.844 120.400 -0.176 0.000 2.262 760 K HA 0.076 4.394 4.320 -0.004 0.000 0.200 760 K C 1.139 177.667 176.600 -0.121 0.000 1.049 760 K CA 0.676 56.816 56.287 -0.246 0.000 0.979 760 K CB 0.380 32.497 32.500 -0.638 0.000 0.773 760 K HN 0.453 nan 8.250 nan 0.000 0.474 761 G N 0.908 109.651 108.800 -0.095 0.000 2.176 761 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.232 761 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.232 761 G C -0.178 174.854 174.900 0.220 0.000 0.986 761 G CA 0.439 45.614 45.100 0.126 0.000 0.643 761 G HN 0.387 nan 8.290 nan 0.000 0.522 762 Y N -2.156 118.124 120.300 -0.033 0.000 2.713 762 Y HA 0.729 5.277 4.550 -0.003 0.000 0.335 762 Y C -0.349 175.464 175.900 -0.145 0.000 1.222 762 Y CA -1.238 56.760 58.100 -0.171 0.000 1.061 762 Y CB 0.803 38.954 38.460 -0.515 0.000 1.314 762 Y HN 0.985 nan 8.280 nan 0.000 0.453 763 V N -0.819 119.099 119.914 0.008 0.000 3.046 763 V HA 1.005 5.123 4.120 -0.004 0.000 0.316 763 V C -0.434 175.717 176.094 0.096 0.000 1.104 763 V CA -0.238 62.052 62.300 -0.017 0.000 1.006 763 V CB 1.312 33.111 31.823 -0.040 0.000 1.058 763 V HN 1.383 nan 8.190 nan 0.000 0.440 764 T N -0.858 113.744 114.554 0.080 0.000 2.901 764 T HA 0.807 5.155 4.350 -0.004 0.000 0.293 764 T C -0.049 174.675 174.700 0.040 0.000 1.084 764 T CA 0.012 62.162 62.100 0.084 0.000 1.008 764 T CB 1.722 70.685 68.868 0.158 0.000 1.170 764 T HN 1.475 nan 8.240 nan 0.000 0.509 765 T N -0.437 114.120 114.554 0.005 0.000 2.922 765 T HA 0.490 4.838 4.350 -0.004 0.000 0.281 765 T C 1.263 175.908 174.700 -0.091 0.000 1.005 765 T CA -0.817 61.261 62.100 -0.037 0.000 0.982 765 T CB 0.944 69.778 68.868 -0.056 0.000 1.158 765 T HN 0.513 nan 8.240 nan 0.000 0.566 766 L N 0.162 121.314 121.223 -0.118 0.000 2.043 766 L HA 0.080 4.418 4.340 -0.004 0.000 0.212 766 L C 1.828 178.489 176.870 -0.347 0.000 1.075 766 L CA 1.782 56.517 54.840 -0.175 0.000 0.752 766 L CB -0.795 41.172 42.059 -0.153 0.000 0.891 766 L HN 0.701 nan 8.230 nan 0.000 0.432 767 L N -0.750 120.297 121.223 -0.294 0.000 2.685 767 L HA 0.131 4.469 4.340 -0.004 0.000 0.233 767 L C 0.158 176.847 176.870 -0.302 0.000 1.173 767 L CA -0.133 54.500 54.840 -0.345 0.000 0.961 767 L CB -0.546 41.425 42.059 -0.148 0.000 1.217 767 L HN 0.431 nan 8.230 nan 0.000 0.478 768 H N -1.472 117.588 119.070 -0.016 0.000 3.049 768 H HA -0.152 4.402 4.556 -0.004 0.000 0.250 768 H C 0.898 176.197 175.328 -0.047 0.000 1.219 768 H CA 0.387 56.423 56.048 -0.020 0.000 1.117 768 H CB -1.230 28.523 29.762 -0.016 0.000 1.251 768 H HN 0.432 nan 8.280 nan 0.000 0.338 769 R N 1.154 121.658 120.500 0.007 0.000 2.694 769 R HA 0.390 4.728 4.340 -0.004 0.000 0.268 769 R C 0.567 176.828 176.300 -0.065 0.000 1.061 769 R CA -0.123 55.949 56.100 -0.047 0.000 1.133 769 R CB 0.907 31.169 30.300 -0.062 0.000 1.020 769 R HN 0.297 nan 8.270 nan 0.000 0.475 770 R N 1.984 122.400 120.500 -0.139 0.000 2.807 770 R HA 0.393 4.730 4.340 -0.004 0.000 0.276 770 R C -1.335 174.828 176.300 -0.228 0.000 0.979 770 R CA -0.828 55.147 56.100 -0.209 0.000 0.928 770 R CB 1.488 31.540 30.300 -0.413 0.000 1.191 770 R HN 0.645 nan 8.270 nan 0.000 0.471 771 R N 3.258 123.628 120.500 -0.216 0.000 2.510 771 R HA 0.237 4.575 4.340 -0.004 0.000 0.294 771 R C -1.674 174.541 176.300 -0.142 0.000 1.056 771 R CA -0.531 55.488 56.100 -0.136 0.000 0.918 771 R CB 0.862 31.130 30.300 -0.053 0.000 1.187 771 R HN 0.540 nan 8.270 nan 0.000 0.437 772 Y N 4.247 124.587 120.300 0.066 0.000 2.319 772 Y HA 0.243 4.791 4.550 -0.003 0.000 0.328 772 Y C 0.402 176.339 175.900 0.062 0.000 1.133 772 Y CA -0.170 57.989 58.100 0.099 0.000 1.265 772 Y CB 1.101 39.599 38.460 0.063 0.000 1.218 772 Y HN 0.417 nan 8.280 nan 0.000 0.508 773 L N 6.548 127.882 121.223 0.185 0.000 2.556 773 L HA 0.258 4.596 4.340 -0.004 0.000 0.243 773 L C -1.657 175.267 176.870 0.090 0.000 1.331 773 L CA -1.352 53.542 54.840 0.090 0.000 0.927 773 L CB 1.028 43.090 42.059 0.005 0.000 1.219 773 L HN 0.514 nan 8.230 nan 0.000 0.490 774 P HA -0.169 nan 4.420 nan 0.000 0.218 774 P C 0.475 177.809 177.300 0.057 0.000 1.148 774 P CA 1.143 64.292 63.100 0.082 0.000 0.822 774 P CB 0.420 32.165 31.700 0.076 0.000 0.784 775 D N -0.461 119.976 120.400 0.060 0.000 2.371 775 D HA -0.061 4.577 4.640 -0.004 0.000 0.221 775 D C 1.729 178.043 176.300 0.024 0.000 0.986 775 D CA 0.240 54.272 54.000 0.053 0.000 0.899 775 D CB -0.648 40.204 40.800 0.086 0.000 0.902 775 D HN 0.157 nan 8.370 nan 0.000 0.530 776 I N 0.916 121.491 120.570 0.008 0.000 2.567 776 I HA -0.200 3.968 4.170 -0.004 0.000 0.257 776 I C 1.857 177.967 176.117 -0.012 0.000 1.184 776 I CA 1.265 62.553 61.300 -0.019 0.000 1.451 776 I CB -0.147 37.834 38.000 -0.032 0.000 1.089 776 I HN -0.021 nan 8.210 nan 0.000 0.441 777 T N -3.525 111.032 114.554 0.006 0.000 3.069 777 T HA 0.192 4.540 4.350 -0.004 0.000 0.252 777 T C 0.997 175.708 174.700 0.018 0.000 1.053 777 T CA 0.128 62.234 62.100 0.009 0.000 0.964 777 T CB -0.456 68.420 68.868 0.013 0.000 1.005 777 T HN 0.203 nan 8.240 nan 0.000 0.532 778 S N 1.024 116.737 115.700 0.022 0.000 2.558 778 S HA 0.204 4.671 4.470 -0.004 0.000 0.288 778 S C 0.999 175.621 174.600 0.037 0.000 1.318 778 S CA -0.522 57.696 58.200 0.030 0.000 1.056 778 S CB 0.493 63.715 63.200 0.035 0.000 0.853 778 S HN 0.348 nan 8.310 nan 0.000 0.505 779 R N 2.494 123.020 120.500 0.044 0.000 2.320 779 R HA 0.244 4.582 4.340 -0.004 0.000 0.211 779 R C 0.266 176.613 176.300 0.079 0.000 0.931 779 R CA 0.025 56.159 56.100 0.057 0.000 1.071 779 R CB -0.254 30.073 30.300 0.046 0.000 1.025 779 R HN 0.489 nan 8.270 nan 0.000 0.495 780 N N 0.529 119.274 118.700 0.075 0.000 2.439 780 N HA -0.041 4.697 4.740 -0.004 0.000 0.249 780 N C 0.405 175.987 175.510 0.120 0.000 1.003 780 N CA -0.100 53.007 53.050 0.095 0.000 0.942 780 N CB 0.380 38.907 38.487 0.065 0.000 1.115 780 N HN -0.038 nan 8.380 nan 0.000 0.505 781 F N 5.269 125.233 119.950 0.023 0.000 2.045 781 F HA -0.307 4.218 4.527 -0.003 0.000 0.297 781 F C 1.773 177.598 175.800 0.041 0.000 1.114 781 F CA 1.878 59.895 58.000 0.028 0.000 1.207 781 F CB -0.071 38.941 39.000 0.020 0.000 0.964 781 F HN 0.557 nan 8.300 nan 0.000 0.486 782 N N 0.164 118.901 118.700 0.062 0.000 2.120 782 N HA -0.143 4.594 4.740 -0.004 0.000 0.188 782 N C 2.036 177.531 175.510 -0.025 0.000 1.024 782 N CA 1.726 54.759 53.050 -0.028 0.000 0.852 782 N CB -0.672 37.846 38.487 0.051 0.000 1.003 782 N HN 0.266 nan 8.380 nan 0.000 0.424 783 V N 1.520 121.444 119.914 0.016 0.000 2.358 783 V HA -0.165 3.953 4.120 -0.004 0.000 0.246 783 V C 2.574 178.701 176.094 0.055 0.000 1.047 783 V CA 1.410 63.746 62.300 0.060 0.000 1.035 783 V CB -0.439 31.417 31.823 0.055 0.000 0.658 783 V HN 0.275 nan 8.190 nan 0.000 0.452 784 R N 0.006 120.491 120.500 -0.026 0.000 2.075 784 R HA -0.129 4.209 4.340 -0.004 0.000 0.232 784 R C 2.509 178.732 176.300 -0.128 0.000 1.126 784 R CA 1.752 57.815 56.100 -0.063 0.000 0.963 784 R CB -0.291 29.968 30.300 -0.069 0.000 0.858 784 R HN 0.478 nan 8.270 nan 0.000 0.435 785 S N 0.474 116.017 115.700 -0.262 0.000 2.383 785 S HA -0.165 4.303 4.470 -0.004 0.000 0.229 785 S C 1.404 175.952 174.600 -0.087 0.000 1.030 785 S CA 1.361 59.392 58.200 -0.281 0.000 1.002 785 S CB -0.399 62.486 63.200 -0.525 0.000 0.829 785 S HN 0.401 nan 8.310 nan 0.000 0.467 786 F N 2.617 122.491 119.950 -0.127 0.000 2.134 786 F HA -0.031 4.494 4.527 -0.004 0.000 0.299 786 F C 2.282 178.058 175.800 -0.040 0.000 1.097 786 F CA 0.913 58.879 58.000 -0.057 0.000 1.264 786 F CB -0.870 38.110 39.000 -0.032 0.000 1.001 786 F HN 0.164 nan 8.300 nan 0.000 0.479 787 A N 0.257 122.959 122.820 -0.197 0.000 1.933 787 A HA -0.197 4.121 4.320 -0.004 0.000 0.218 787 A C 2.126 179.559 177.584 -0.251 0.000 1.175 787 A CA 1.849 53.730 52.037 -0.259 0.000 0.628 787 A CB -0.857 18.098 19.000 -0.076 0.000 0.814 787 A HN 0.585 nan 8.150 nan 0.000 0.444 788 E N -0.489 119.599 120.200 -0.187 0.000 2.106 788 E HA -0.163 4.185 4.350 -0.004 0.000 0.192 788 E C 2.257 178.754 176.600 -0.173 0.000 0.984 788 E CA 0.923 57.227 56.400 -0.160 0.000 0.806 788 E CB -0.192 29.430 29.700 -0.129 0.000 0.750 788 E HN 0.530 nan 8.360 nan 0.000 0.458 789 R N -0.007 120.378 120.500 -0.192 0.000 2.115 789 R HA -0.010 4.328 4.340 -0.004 0.000 0.230 789 R C 2.194 178.367 176.300 -0.212 0.000 1.111 789 R CA 0.838 56.846 56.100 -0.154 0.000 0.976 789 R CB -0.044 30.205 30.300 -0.085 0.000 0.870 789 R HN 0.177 nan 8.270 nan 0.000 0.445 790 M N -0.109 119.270 119.600 -0.369 0.000 2.254 790 M HA 0.002 4.480 4.480 -0.004 0.000 0.265 790 M C 2.336 178.527 176.300 -0.182 0.000 1.066 790 M CA 1.083 56.191 55.300 -0.320 0.000 1.123 790 M CB -0.868 31.451 32.600 -0.469 0.000 1.388 790 M HN 0.114 nan 8.290 nan 0.000 0.425 791 A N 0.212 122.925 122.820 -0.178 0.000 1.902 791 A HA -0.146 4.171 4.320 -0.004 0.000 0.217 791 A C 2.251 179.767 177.584 -0.114 0.000 1.181 791 A CA 1.530 53.486 52.037 -0.136 0.000 0.623 791 A CB -0.498 18.411 19.000 -0.152 0.000 0.818 791 A HN 0.465 nan 8.150 nan 0.000 0.443 792 M N -0.817 118.710 119.600 -0.122 0.000 2.099 792 M HA -0.109 4.368 4.480 -0.004 0.000 0.262 792 M C 2.215 178.545 176.300 0.050 0.000 1.067 792 M CA 1.637 56.892 55.300 -0.075 0.000 1.124 792 M CB -0.439 32.125 32.600 -0.060 0.000 1.353 792 M HN 0.588 nan 8.290 nan 0.000 0.410 793 N N -0.420 118.271 118.700 -0.015 0.000 2.250 793 N HA -0.097 4.641 4.740 -0.004 0.000 0.181 793 N C 1.366 176.863 175.510 -0.022 0.000 1.017 793 N CA 1.369 54.407 53.050 -0.020 0.000 0.866 793 N CB 0.179 38.637 38.487 -0.048 0.000 0.985 793 N HN 0.239 nan 8.380 nan 0.000 0.429 794 T N 1.542 116.079 114.554 -0.027 0.000 2.746 794 T HA -0.042 4.306 4.350 -0.004 0.000 0.267 794 T C -1.050 173.645 174.700 -0.009 0.000 1.039 794 T CA 1.040 63.126 62.100 -0.022 0.000 1.142 794 T CB -0.936 67.912 68.868 -0.032 0.000 0.866 794 T HN 0.372 nan 8.240 nan 0.000 0.444 795 P HA 0.069 nan 4.420 nan 0.000 0.220 795 P C 1.215 178.502 177.300 -0.022 0.000 1.148 795 P CA 0.783 63.901 63.100 0.029 0.000 0.803 795 P CB -0.105 31.671 31.700 0.126 0.000 0.782 796 I N -1.212 119.342 120.570 -0.028 0.000 2.188 796 I HA -0.190 3.978 4.170 -0.004 0.000 0.237 796 I C 2.461 178.512 176.117 -0.109 0.000 1.073 796 I CA 1.148 62.395 61.300 -0.089 0.000 1.359 796 I CB -0.723 37.220 38.000 -0.095 0.000 1.083 796 I HN -0.119 nan 8.210 nan 0.000 0.412 797 Q N 0.852 120.592 119.800 -0.100 0.000 2.084 797 Q HA -0.139 4.199 4.340 -0.004 0.000 0.202 797 Q C 2.293 178.258 176.000 -0.059 0.000 0.978 797 Q CA 1.908 57.655 55.803 -0.093 0.000 0.844 797 Q CB -0.735 27.964 28.738 -0.066 0.000 0.898 797 Q HN 0.629 nan 8.270 nan 0.000 0.426 798 G N 0.182 108.955 108.800 -0.044 0.000 2.422 798 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.218 798 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.218 798 G C 1.651 176.518 174.900 -0.055 0.000 1.146 798 G CA 0.953 46.033 45.100 -0.033 0.000 0.769 798 G HN 0.305 nan 8.290 nan 0.000 0.547 799 S N 0.877 116.530 115.700 -0.078 0.000 2.402 799 S HA 0.070 4.537 4.470 -0.004 0.000 0.229 799 S C 2.736 177.254 174.600 -0.137 0.000 1.021 799 S CA 0.994 59.130 58.200 -0.108 0.000 0.974 799 S CB -0.230 62.900 63.200 -0.116 0.000 0.800 799 S HN 0.563 nan 8.310 nan 0.000 0.484 800 A N 1.472 124.207 122.820 -0.142 0.000 1.930 800 A HA 0.169 4.486 4.320 -0.004 0.000 0.217 800 A C 2.305 179.817 177.584 -0.120 0.000 1.175 800 A CA 1.543 53.473 52.037 -0.178 0.000 0.627 800 A CB -0.894 18.008 19.000 -0.163 0.000 0.815 800 A HN 0.497 nan 8.150 nan 0.000 0.443 801 A N 0.181 122.967 122.820 -0.057 0.000 1.898 801 A HA -0.151 4.167 4.320 -0.004 0.000 0.216 801 A C 1.763 179.335 177.584 -0.019 0.000 1.181 801 A CA 1.778 53.813 52.037 -0.003 0.000 0.620 801 A CB -0.549 18.471 19.000 0.033 0.000 0.819 801 A HN 0.441 nan 8.150 nan 0.000 0.442 802 D N 0.265 120.637 120.400 -0.047 0.000 2.104 802 D HA -0.154 4.484 4.640 -0.004 0.000 0.194 802 D C 1.860 178.121 176.300 -0.065 0.000 0.994 802 D CA 1.370 55.338 54.000 -0.053 0.000 0.830 802 D CB -0.411 40.340 40.800 -0.081 0.000 0.959 802 D HN 0.530 nan 8.370 nan 0.000 0.452 803 I N 0.622 121.126 120.570 -0.111 0.000 2.127 803 I HA -0.229 3.939 4.170 -0.004 0.000 0.241 803 I C 2.576 178.661 176.117 -0.053 0.000 1.075 803 I CA 0.737 61.957 61.300 -0.132 0.000 1.334 803 I CB -0.148 37.690 38.000 -0.271 0.000 1.040 803 I HN -0.043 nan 8.210 nan 0.000 0.405 804 I N 0.719 121.271 120.570 -0.030 0.000 2.394 804 I HA -0.287 3.881 4.170 -0.004 0.000 0.251 804 I C 2.450 178.607 176.117 0.067 0.000 1.136 804 I CA 1.554 62.928 61.300 0.122 0.000 1.425 804 I CB -0.109 37.994 38.000 0.172 0.000 1.079 804 I HN 0.130 nan 8.210 nan 0.000 0.425 805 K N 0.471 120.883 120.400 0.021 0.000 2.057 805 K HA -0.245 4.073 4.320 -0.004 0.000 0.207 805 K C 2.174 178.774 176.600 0.001 0.000 1.049 805 K CA 1.518 57.807 56.287 0.004 0.000 0.931 805 K CB -0.147 32.355 32.500 0.002 0.000 0.714 805 K HN 0.255 nan 8.250 nan 0.000 0.440 806 K N 0.850 121.249 120.400 -0.002 0.000 2.097 806 K HA -0.088 4.230 4.320 -0.004 0.000 0.205 806 K C 2.074 178.678 176.600 0.008 0.000 1.050 806 K CA 1.078 57.362 56.287 -0.005 0.000 0.938 806 K CB -0.052 32.437 32.500 -0.019 0.000 0.718 806 K HN 0.105 nan 8.250 nan 0.000 0.442 807 A N 1.210 124.052 122.820 0.037 0.000 1.940 807 A HA -0.181 4.137 4.320 -0.004 0.000 0.219 807 A C 2.106 179.701 177.584 0.019 0.000 1.176 807 A CA 1.736 53.805 52.037 0.054 0.000 0.631 807 A CB -0.474 18.613 19.000 0.144 0.000 0.814 807 A HN 0.354 nan 8.150 nan 0.000 0.446 808 M N -0.833 118.775 119.600 0.013 0.000 2.117 808 M HA -0.094 4.384 4.480 -0.004 0.000 0.262 808 M C 2.082 178.371 176.300 -0.018 0.000 1.065 808 M CA 1.546 56.839 55.300 -0.011 0.000 1.114 808 M CB -0.502 32.081 32.600 -0.028 0.000 1.361 808 M HN 0.398 nan 8.290 nan 0.000 0.408 809 I N 0.155 120.715 120.570 -0.015 0.000 2.179 809 I HA -0.299 3.869 4.170 -0.004 0.000 0.242 809 I C 1.874 177.979 176.117 -0.019 0.000 1.088 809 I CA 1.169 62.458 61.300 -0.018 0.000 1.357 809 I CB -0.573 37.417 38.000 -0.016 0.000 1.051 809 I HN 0.244 nan 8.210 nan 0.000 0.409 810 D N 0.689 121.079 120.400 -0.017 0.000 2.117 810 D HA -0.176 4.462 4.640 -0.004 0.000 0.197 810 D C 2.004 178.286 176.300 -0.030 0.000 0.987 810 D CA 1.119 55.106 54.000 -0.021 0.000 0.829 810 D CB -0.360 40.430 40.800 -0.016 0.000 0.961 810 D HN 0.162 nan 8.370 nan 0.000 0.460 811 L N 1.154 122.358 121.223 -0.032 0.000 2.017 811 L HA -0.146 4.192 4.340 -0.004 0.000 0.208 811 L C 1.611 178.453 176.870 -0.046 0.000 1.073 811 L CA 1.734 56.546 54.840 -0.047 0.000 0.745 811 L CB -0.807 41.223 42.059 -0.047 0.000 0.894 811 L HN -0.129 nan 8.230 nan 0.000 0.432 812 N N -0.286 118.394 118.700 -0.032 0.000 2.166 812 N HA -0.128 4.610 4.740 -0.004 0.000 0.186 812 N C 1.782 177.275 175.510 -0.028 0.000 1.019 812 N CA 1.484 54.519 53.050 -0.025 0.000 0.856 812 N CB -0.344 38.133 38.487 -0.016 0.000 0.993 812 N HN 0.553 nan 8.380 nan 0.000 0.426 813 A N 0.527 123.329 122.820 -0.030 0.000 1.898 813 A HA -0.055 4.262 4.320 -0.004 0.000 0.216 813 A C 2.151 179.712 177.584 -0.039 0.000 1.181 813 A CA 0.999 53.018 52.037 -0.031 0.000 0.620 813 A CB -0.198 18.785 19.000 -0.028 0.000 0.819 813 A HN 0.078 nan 8.150 nan 0.000 0.442 814 R N -0.253 120.219 120.500 -0.047 0.000 2.075 814 R HA 0.007 4.344 4.340 -0.004 0.000 0.232 814 R C 2.057 178.316 176.300 -0.069 0.000 1.126 814 R CA 1.106 57.171 56.100 -0.059 0.000 0.963 814 R CB -1.057 29.202 30.300 -0.068 0.000 0.858 814 R HN 0.600 nan 8.270 nan 0.000 0.435 815 L N 0.684 121.863 121.223 -0.072 0.000 2.079 815 L HA -0.178 4.160 4.340 -0.004 0.000 0.210 815 L C 2.648 179.482 176.870 -0.061 0.000 1.081 815 L CA 1.463 56.254 54.840 -0.081 0.000 0.752 815 L CB -0.407 41.608 42.059 -0.074 0.000 0.896 815 L HN 0.177 nan 8.230 nan 0.000 0.433 816 K N 0.491 120.865 120.400 -0.043 0.000 2.062 816 K HA -0.168 4.150 4.320 -0.004 0.000 0.205 816 K C 1.900 178.478 176.600 -0.037 0.000 1.051 816 K CA 1.276 57.544 56.287 -0.032 0.000 0.941 816 K CB 0.052 32.538 32.500 -0.024 0.000 0.719 816 K HN 0.318 nan 8.250 nan 0.000 0.440 817 E N 0.341 120.517 120.200 -0.041 0.000 2.110 817 E HA -0.162 4.186 4.350 -0.004 0.000 0.193 817 E C 1.551 178.122 176.600 -0.047 0.000 0.988 817 E CA 0.859 57.235 56.400 -0.040 0.000 0.804 817 E CB 0.104 29.779 29.700 -0.041 0.000 0.745 817 E HN 0.312 nan 8.360 nan 0.000 0.458 818 E N 0.247 120.411 120.200 -0.059 0.000 2.502 818 E HA -0.018 4.330 4.350 -0.004 0.000 0.194 818 E C 0.040 176.599 176.600 -0.069 0.000 1.062 818 E CA 0.073 56.431 56.400 -0.070 0.000 0.867 818 E CB 0.311 29.956 29.700 -0.091 0.000 0.888 818 E HN 0.092 nan 8.360 nan 0.000 0.510 819 R N -0.404 120.062 120.500 -0.058 0.000 3.651 819 R HA -0.185 4.153 4.340 -0.004 0.000 0.292 819 R C -0.111 176.149 176.300 -0.068 0.000 1.161 819 R CA 0.370 56.439 56.100 -0.051 0.000 0.787 819 R CB -3.126 27.148 30.300 -0.044 0.000 1.249 819 R HN 0.213 nan 8.270 nan 0.000 0.476 820 L N 0.361 121.530 121.223 -0.090 0.000 2.418 820 L HA 0.150 4.488 4.340 -0.004 0.000 0.265 820 L C 2.006 178.810 176.870 -0.110 0.000 1.143 820 L CA -0.126 54.635 54.840 -0.132 0.000 0.809 820 L CB 0.614 42.568 42.059 -0.175 0.000 1.124 820 L HN 0.103 nan 8.230 nan 0.000 0.456 821 Q N 1.455 121.159 119.800 -0.161 0.000 2.398 821 Q HA 0.157 4.495 4.340 -0.004 0.000 0.204 821 Q C 0.564 176.449 176.000 -0.192 0.000 0.932 821 Q CA -0.061 55.681 55.803 -0.100 0.000 0.916 821 Q CB 0.390 29.068 28.738 -0.100 0.000 1.024 821 Q HN 0.781 nan 8.270 nan 0.000 0.504 822 A N 2.375 124.990 122.820 -0.341 0.000 2.561 822 A HA 0.024 4.341 4.320 -0.004 0.000 0.234 822 A C -0.147 177.342 177.584 -0.158 0.000 1.055 822 A CA 0.431 52.239 52.037 -0.381 0.000 0.756 822 A CB -0.179 18.605 19.000 -0.360 0.000 0.986 822 A HN 0.441 nan 8.150 nan 0.000 0.505 823 H N -0.144 118.926 119.070 -0.001 0.000 3.046 823 H HA 0.533 5.087 4.556 -0.003 0.000 0.361 823 H C -1.413 173.933 175.328 0.029 0.000 1.235 823 H CA -1.222 54.842 56.048 0.027 0.000 1.146 823 H CB 0.657 30.467 29.762 0.081 0.000 1.859 823 H HN 0.494 nan 8.280 nan 0.000 0.548 824 L N 2.064 123.412 121.223 0.208 0.000 2.456 824 L HA 0.024 4.362 4.340 -0.004 0.000 0.272 824 L C 0.902 177.866 176.870 0.156 0.000 1.189 824 L CA -0.104 54.811 54.840 0.125 0.000 0.846 824 L CB 0.613 42.702 42.059 0.049 0.000 1.111 824 L HN 0.585 nan 8.230 nan 0.000 0.475 825 L N 3.262 124.550 121.223 0.108 0.000 2.586 825 L HA 0.346 4.684 4.340 -0.004 0.000 0.204 825 L C -0.062 176.867 176.870 0.098 0.000 1.053 825 L CA 0.189 55.084 54.840 0.091 0.000 0.856 825 L CB 0.406 42.491 42.059 0.043 0.000 1.192 825 L HN 0.413 nan 8.230 nan 0.000 0.484 826 L N -0.622 120.617 121.223 0.028 0.000 2.415 826 L HA 0.485 4.823 4.340 -0.004 0.000 0.256 826 L C -1.077 175.785 176.870 -0.013 0.000 1.010 826 L CA -0.522 54.376 54.840 0.097 0.000 0.826 826 L CB 2.323 44.364 42.059 -0.030 0.000 1.405 826 L HN -0.071 nan 8.230 nan 0.000 0.410 827 Q N 1.375 121.154 119.800 -0.036 0.000 2.304 827 Q HA 0.490 4.827 4.340 -0.004 0.000 0.270 827 Q C -1.896 174.092 176.000 -0.021 0.000 1.035 827 Q CA -0.431 55.319 55.803 -0.088 0.000 0.781 827 Q CB 2.713 31.310 28.738 -0.235 0.000 1.261 827 Q HN 0.511 nan 8.270 nan 0.000 0.444 828 V N 6.515 126.426 119.914 -0.006 0.000 2.361 828 V HA 0.226 4.344 4.120 -0.004 0.000 0.252 828 V C 0.187 176.236 176.094 -0.074 0.000 0.986 828 V CA -0.309 61.930 62.300 -0.101 0.000 1.033 828 V CB -0.077 31.793 31.823 0.079 0.000 1.282 828 V HN 0.925 nan 8.190 nan 0.000 0.514 829 H N 1.983 121.140 119.070 0.145 0.000 4.955 829 H HA -0.224 4.330 4.556 -0.004 0.000 0.059 829 H C 1.349 176.762 175.328 0.142 0.000 0.580 829 H CA 2.330 58.461 56.048 0.137 0.000 0.969 829 H CB -0.919 28.939 29.762 0.159 0.000 0.469 829 H HN 0.824 nan 8.280 nan 0.000 0.792 830 D N 1.940 122.518 120.400 0.297 0.000 2.513 830 D HA 0.163 4.801 4.640 -0.004 0.000 0.222 830 D C 0.333 176.796 176.300 0.272 0.000 1.210 830 D CA 0.508 54.687 54.000 0.298 0.000 0.825 830 D CB 0.431 41.388 40.800 0.263 0.000 1.037 830 D HN 0.751 nan 8.370 nan 0.000 0.506 831 E N 0.145 120.457 120.200 0.187 0.000 2.367 831 E HA 0.597 4.945 4.350 -0.004 0.000 0.273 831 E C -1.177 175.472 176.600 0.081 0.000 0.903 831 E CA -1.080 55.393 56.400 0.122 0.000 0.764 831 E CB 2.091 31.880 29.700 0.147 0.000 1.252 831 E HN -0.049 nan 8.360 nan 0.000 0.446 832 L N 2.525 123.779 121.223 0.051 0.000 2.341 832 L HA 0.510 4.848 4.340 -0.004 0.000 0.278 832 L C -0.783 176.116 176.870 0.048 0.000 1.005 832 L CA -1.272 53.587 54.840 0.032 0.000 0.818 832 L CB 1.472 43.542 42.059 0.019 0.000 1.259 832 L HN 0.551 nan 8.230 nan 0.000 0.418 833 I N 4.431 124.997 120.570 -0.007 0.000 2.378 833 I HA 0.507 4.674 4.170 -0.004 0.000 0.291 833 I C -0.213 175.901 176.117 -0.005 0.000 0.992 833 I CA -0.405 60.862 61.300 -0.056 0.000 1.154 833 I CB 1.542 39.343 38.000 -0.331 0.000 1.315 833 I HN 0.396 nan 8.210 nan 0.000 0.448 834 L N 5.483 126.752 121.223 0.077 0.000 2.257 834 L HA 0.633 4.971 4.340 -0.004 0.000 0.257 834 L C -0.019 176.907 176.870 0.093 0.000 1.033 834 L CA -0.581 54.309 54.840 0.084 0.000 0.835 834 L CB 1.514 43.600 42.059 0.046 0.000 1.398 834 L HN 0.672 nan 8.230 nan 0.000 0.429 835 E N 0.196 120.429 120.200 0.056 0.000 2.340 835 E HA 0.919 5.267 4.350 -0.004 0.000 0.273 835 E C -1.615 174.910 176.600 -0.125 0.000 0.891 835 E CA -1.073 55.382 56.400 0.091 0.000 0.757 835 E CB 2.571 32.415 29.700 0.240 0.000 1.231 835 E HN 0.747 nan 8.360 nan 0.000 0.439 836 A N 2.220 124.881 122.820 -0.265 0.000 2.586 836 A HA 0.615 4.933 4.320 -0.004 0.000 0.291 836 A C -2.986 173.870 177.584 -1.214 0.000 1.062 836 A CA -1.404 50.054 52.037 -0.965 0.000 0.666 836 A CB 1.211 19.825 19.000 -0.645 0.000 1.281 836 A HN 0.503 nan 8.150 nan 0.000 0.421 837 P HA 0.093 nan 4.420 nan 0.000 0.267 837 P C 0.466 177.449 177.300 -0.529 0.000 1.200 837 P CA 0.095 62.501 63.100 -1.156 0.000 0.772 837 P CB 0.522 31.755 31.700 -0.778 0.000 0.855 838 K N 1.963 122.200 120.400 -0.272 0.000 2.211 838 K HA -0.200 4.118 4.320 -0.004 0.000 0.204 838 K C 0.826 177.308 176.600 -0.196 0.000 1.047 838 K CA 1.697 57.881 56.287 -0.172 0.000 0.935 838 K CB -0.401 32.070 32.500 -0.047 0.000 0.728 838 K HN 0.256 nan 8.250 nan 0.000 0.452 839 E N 1.295 121.377 120.200 -0.196 0.000 2.409 839 E HA -0.087 4.260 4.350 -0.004 0.000 0.198 839 E C 0.951 177.427 176.600 -0.208 0.000 1.024 839 E CA 0.898 57.198 56.400 -0.167 0.000 0.861 839 E CB 0.143 29.762 29.700 -0.135 0.000 0.788 839 E HN 0.503 nan 8.360 nan 0.000 0.521 840 E N -0.619 119.409 120.200 -0.287 0.000 2.481 840 E HA 0.060 4.408 4.350 -0.004 0.000 0.198 840 E C 1.286 177.685 176.600 -0.335 0.000 1.027 840 E CA -0.166 56.050 56.400 -0.307 0.000 0.900 840 E CB 0.202 29.677 29.700 -0.374 0.000 0.993 840 E HN 0.192 nan 8.360 nan 0.000 0.482 841 M N 0.933 120.321 119.600 -0.354 0.000 2.073 841 M HA -0.203 4.275 4.480 -0.004 0.000 0.258 841 M C 1.868 178.000 176.300 -0.279 0.000 1.070 841 M CA 1.721 56.765 55.300 -0.426 0.000 1.103 841 M CB -0.963 31.189 32.600 -0.748 0.000 1.321 841 M HN 0.139 nan 8.290 nan 0.000 0.405 842 E N -0.318 119.768 120.200 -0.191 0.000 2.085 842 E HA -0.215 4.133 4.350 -0.004 0.000 0.194 842 E C 2.195 178.721 176.600 -0.124 0.000 0.994 842 E CA 1.218 57.562 56.400 -0.093 0.000 0.801 842 E CB -0.249 29.415 29.700 -0.060 0.000 0.743 842 E HN 0.524 nan 8.360 nan 0.000 0.453 843 R N 0.431 120.826 120.500 -0.174 0.000 2.092 843 R HA -0.058 4.280 4.340 -0.004 0.000 0.231 843 R C 2.507 178.649 176.300 -0.264 0.000 1.119 843 R CA 0.824 56.811 56.100 -0.189 0.000 0.970 843 R CB -0.225 29.962 30.300 -0.189 0.000 0.864 843 R HN 0.179 nan 8.270 nan 0.000 0.440 844 L N -0.252 120.743 121.223 -0.380 0.000 2.141 844 L HA -0.194 4.144 4.340 -0.004 0.000 0.209 844 L C 2.398 178.948 176.870 -0.533 0.000 1.094 844 L CA 0.709 55.174 54.840 -0.625 0.000 0.763 844 L CB -0.428 40.978 42.059 -1.089 0.000 0.908 844 L HN 0.339 nan 8.230 nan 0.000 0.437 845 C N -0.198 118.963 119.300 -0.232 0.000 2.411 845 C HA -0.139 4.319 4.460 -0.004 0.000 0.279 845 C C 2.907 177.681 174.990 -0.360 0.000 1.288 845 C CA 0.873 59.789 59.018 -0.170 0.000 1.764 845 C CB -0.971 26.832 27.740 0.104 0.000 1.974 845 C HN 0.452 nan 8.230 nan 0.000 0.498 846 R N -0.536 119.827 120.500 -0.229 0.000 2.105 846 R HA 0.142 4.480 4.340 -0.004 0.000 0.214 846 R C 2.204 178.390 176.300 -0.190 0.000 1.091 846 R CA 0.419 56.411 56.100 -0.180 0.000 1.007 846 R CB -0.352 29.881 30.300 -0.111 0.000 0.912 846 R HN 0.453 nan 8.270 nan 0.000 0.450 847 L N 0.853 121.947 121.223 -0.215 0.000 2.005 847 L HA -0.136 4.202 4.340 -0.004 0.000 0.207 847 L C 2.023 178.775 176.870 -0.197 0.000 1.072 847 L CA 1.212 55.935 54.840 -0.195 0.000 0.744 847 L CB -0.140 41.793 42.059 -0.210 0.000 0.895 847 L HN -0.025 nan 8.230 nan 0.000 0.433 848 V N 0.652 120.410 119.914 -0.261 0.000 2.255 848 V HA -0.192 3.926 4.120 -0.004 0.000 0.247 848 V C -0.162 175.853 176.094 -0.131 0.000 1.051 848 V CA 2.245 64.430 62.300 -0.192 0.000 1.018 848 V CB -1.944 29.765 31.823 -0.189 0.000 0.641 848 V HN 0.393 nan 8.190 nan 0.000 0.445 849 P HA -0.148 nan 4.420 nan 0.000 0.216 849 P C 1.628 178.880 177.300 -0.080 0.000 1.153 849 P CA 1.440 64.473 63.100 -0.112 0.000 0.848 849 P CB 0.083 31.704 31.700 -0.131 0.000 0.787 850 E N -0.056 120.091 120.200 -0.087 0.000 2.038 850 E HA -0.153 4.195 4.350 -0.004 0.000 0.195 850 E C 1.851 178.425 176.600 -0.043 0.000 1.000 850 E CA 1.420 57.787 56.400 -0.055 0.000 0.803 850 E CB -1.287 28.374 29.700 -0.064 0.000 0.750 850 E HN -0.103 nan 8.360 nan 0.000 0.448 851 V N 0.625 120.503 119.914 -0.060 0.000 2.332 851 V HA -0.307 3.811 4.120 -0.004 0.000 0.248 851 V C 2.505 178.591 176.094 -0.013 0.000 1.055 851 V CA 2.272 64.547 62.300 -0.042 0.000 1.038 851 V CB -0.533 31.255 31.823 -0.059 0.000 0.651 851 V HN 0.363 nan 8.190 nan 0.000 0.450 852 M N -0.741 118.840 119.600 -0.031 0.000 2.175 852 M HA -0.162 4.315 4.480 -0.004 0.000 0.264 852 M C 2.171 178.554 176.300 0.139 0.000 1.063 852 M CA 1.735 57.039 55.300 0.008 0.000 1.119 852 M CB -0.448 32.004 32.600 -0.247 0.000 1.377 852 M HN 0.353 nan 8.290 nan 0.000 0.415 853 E N -0.142 120.098 120.200 0.066 0.000 2.208 853 E HA -0.146 4.202 4.350 -0.004 0.000 0.193 853 E C 1.644 178.280 176.600 0.061 0.000 0.988 853 E CA 0.676 57.137 56.400 0.102 0.000 0.828 853 E CB 0.100 29.829 29.700 0.048 0.000 0.763 853 E HN 0.441 nan 8.360 nan 0.000 0.478 854 Q N -0.562 119.257 119.800 0.031 0.000 2.280 854 Q HA 0.203 4.540 4.340 -0.004 0.000 0.201 854 Q C 1.649 177.650 176.000 0.002 0.000 0.890 854 Q CA 0.227 56.034 55.803 0.007 0.000 0.947 854 Q CB 0.742 29.477 28.738 -0.006 0.000 1.081 854 Q HN 0.194 nan 8.270 nan 0.000 0.502 855 A N 0.982 123.816 122.820 0.023 0.000 1.927 855 A HA -0.065 4.252 4.320 -0.004 0.000 0.220 855 A C 1.319 178.885 177.584 -0.029 0.000 1.185 855 A CA 1.886 53.928 52.037 0.009 0.000 0.639 855 A CB -0.170 18.856 19.000 0.043 0.000 0.820 855 A HN 0.248 nan 8.150 nan 0.000 0.451 856 V N -5.632 114.250 119.914 -0.053 0.000 3.181 856 V HA 0.727 4.845 4.120 -0.004 0.000 0.308 856 V C -0.712 175.326 176.094 -0.093 0.000 1.214 856 V CA -0.528 61.720 62.300 -0.087 0.000 1.053 856 V CB 1.675 33.414 31.823 -0.140 0.000 1.069 856 V HN 0.019 nan 8.190 nan 0.000 0.441 857 T N 3.488 117.982 114.554 -0.100 0.000 2.791 857 T HA 0.737 5.085 4.350 -0.004 0.000 0.288 857 T C -0.329 174.287 174.700 -0.141 0.000 0.999 857 T CA -0.225 61.824 62.100 -0.086 0.000 0.952 857 T CB 0.782 69.626 68.868 -0.040 0.000 0.938 857 T HN 0.650 nan 8.240 nan 0.000 0.444 858 L N 2.062 123.183 121.223 -0.169 0.000 2.299 858 L HA 0.571 4.909 4.340 -0.004 0.000 0.268 858 L C 1.683 178.586 176.870 0.054 0.000 1.012 858 L CA -1.212 53.475 54.840 -0.255 0.000 0.816 858 L CB 1.167 42.987 42.059 -0.398 0.000 1.355 858 L HN 0.508 nan 8.230 nan 0.000 0.457 859 R N -0.220 120.477 120.500 0.328 0.000 2.280 859 R HA 0.033 4.371 4.340 -0.004 0.000 0.207 859 R C -0.134 176.229 176.300 0.105 0.000 1.043 859 R CA 0.384 56.598 56.100 0.189 0.000 1.006 859 R CB -0.045 30.347 30.300 0.153 0.000 0.885 859 R HN 0.503 nan 8.270 nan 0.000 0.467 860 V N -2.638 117.321 119.914 0.075 0.000 3.001 860 V HA 0.585 4.703 4.120 -0.004 0.000 0.314 860 V C -2.777 173.314 176.094 -0.006 0.000 1.099 860 V CA -3.217 59.112 62.300 0.049 0.000 0.989 860 V CB 2.105 33.966 31.823 0.063 0.000 1.040 860 V HN -0.202 nan 8.190 nan 0.000 0.434 861 P HA 0.463 nan 4.420 nan 0.000 0.274 861 P C -0.943 176.329 177.300 -0.047 0.000 1.237 861 P CA -0.279 62.818 63.100 -0.004 0.000 0.793 861 P CB 0.488 32.206 31.700 0.030 0.000 0.977 862 L N 1.621 122.830 121.223 -0.023 0.000 2.317 862 L HA 0.498 4.836 4.340 -0.004 0.000 0.281 862 L C 0.446 177.354 176.870 0.062 0.000 1.024 862 L CA -0.597 54.241 54.840 -0.004 0.000 0.810 862 L CB 1.394 43.475 42.059 0.037 0.000 1.240 862 L HN 0.286 nan 8.230 nan 0.000 0.427 863 K N 2.470 122.922 120.400 0.086 0.000 2.345 863 K HA 0.669 4.987 4.320 -0.004 0.000 0.255 863 K C -1.702 174.958 176.600 0.101 0.000 0.934 863 K CA -0.567 55.770 56.287 0.084 0.000 0.801 863 K CB 2.206 34.746 32.500 0.066 0.000 1.137 863 K HN 0.324 nan 8.250 nan 0.000 0.424 864 V N 3.876 123.823 119.914 0.055 0.000 2.487 864 V HA 0.273 4.391 4.120 -0.004 0.000 0.298 864 V C -0.743 175.393 176.094 0.071 0.000 1.028 864 V CA -0.939 61.358 62.300 -0.004 0.000 0.860 864 V CB 1.755 33.510 31.823 -0.113 0.000 0.991 864 V HN 0.822 nan 8.190 nan 0.000 0.427 865 D N 3.295 123.701 120.400 0.010 0.000 2.277 865 D HA 0.644 5.281 4.640 -0.004 0.000 0.250 865 D C -0.906 175.308 176.300 -0.145 0.000 1.032 865 D CA 0.163 54.093 54.000 -0.117 0.000 0.947 865 D CB 2.202 42.920 40.800 -0.137 0.000 1.159 865 D HN 0.603 nan 8.370 nan 0.000 0.460 866 Y N -2.192 117.794 120.300 -0.524 0.000 2.581 866 Y HA 0.593 5.141 4.550 -0.004 0.000 0.337 866 Y C -0.931 174.361 175.900 -1.013 0.000 1.108 866 Y CA -0.971 56.746 58.100 -0.638 0.000 1.033 866 Y CB 1.574 39.781 38.460 -0.422 0.000 1.318 866 Y HN 0.296 nan 8.280 nan 0.000 0.459 867 H N 0.720 119.594 119.070 -0.326 0.000 3.017 867 H HA 0.487 5.041 4.556 -0.004 0.000 0.346 867 H C -1.788 173.382 175.328 -0.262 0.000 1.286 867 H CA -0.966 54.900 56.048 -0.302 0.000 1.120 867 H CB 2.721 32.336 29.762 -0.246 0.000 1.860 867 H HN 0.885 nan 8.280 nan 0.000 0.542 868 Y N -1.444 118.842 120.300 -0.022 0.000 2.609 868 Y HA 0.727 5.275 4.550 -0.004 0.000 0.336 868 Y C -0.436 175.517 175.900 0.088 0.000 1.129 868 Y CA -0.724 57.393 58.100 0.028 0.000 1.040 868 Y CB 1.658 40.192 38.460 0.124 0.000 1.310 868 Y HN 0.980 nan 8.280 nan 0.000 0.460 869 G N -0.009 108.985 108.800 0.322 0.000 2.488 869 G HA2 0.355 4.313 3.960 -0.004 0.000 0.301 869 G HA3 0.355 4.313 3.960 -0.004 0.000 0.301 869 G C -0.603 174.443 174.900 0.243 0.000 1.339 869 G CA -0.431 44.807 45.100 0.229 0.000 0.803 869 G HN 0.650 nan 8.290 nan 0.000 0.482 870 S N -0.827 114.992 115.700 0.198 0.000 2.423 870 S HA 0.131 4.599 4.470 -0.004 0.000 0.231 870 S C 1.308 176.025 174.600 0.195 0.000 1.014 870 S CA 1.711 60.019 58.200 0.181 0.000 0.965 870 S CB -0.291 62.994 63.200 0.141 0.000 0.785 870 S HN 1.313 nan 8.310 nan 0.000 0.495 871 T N -3.628 111.064 114.554 0.230 0.000 2.838 871 T HA 0.345 4.693 4.350 -0.004 0.000 0.292 871 T C -0.007 174.919 174.700 0.378 0.000 1.113 871 T CA -0.818 61.453 62.100 0.285 0.000 1.008 871 T CB 0.824 69.850 68.868 0.264 0.000 1.259 871 T HN 0.144 nan 8.240 nan 0.000 0.520 872 W N 0.435 121.859 121.300 0.207 0.000 2.363 872 W HA -0.083 4.575 4.660 -0.004 0.000 0.296 872 W C 1.916 178.512 176.519 0.128 0.000 1.212 872 W CA 0.956 58.391 57.345 0.150 0.000 1.260 872 W CB -1.133 28.402 29.460 0.125 0.000 1.131 872 W HN 0.894 nan 8.180 nan 0.000 0.530 873 Y N 1.593 122.001 120.300 0.180 0.000 2.207 873 Y HA -0.247 4.300 4.550 -0.004 0.000 0.287 873 Y C 2.057 177.958 175.900 0.002 0.000 1.156 873 Y CA 2.608 60.705 58.100 -0.006 0.000 1.182 873 Y CB -0.584 37.877 38.460 0.002 0.000 0.979 873 Y HN -0.141 nan 8.280 nan 0.000 0.521 874 D N 0.251 120.798 120.400 0.244 0.000 2.317 874 D HA 0.034 4.672 4.640 -0.004 0.000 0.211 874 D C 0.958 177.264 176.300 0.010 0.000 0.966 874 D CA 0.929 54.994 54.000 0.109 0.000 0.876 874 D CB -0.206 40.702 40.800 0.181 0.000 0.927 874 D HN 0.353 nan 8.370 nan 0.000 0.519 875 A N 1.541 124.416 122.820 0.092 0.000 3.029 875 A HA 0.083 4.400 4.320 -0.004 0.000 0.251 875 A C 0.683 178.239 177.584 -0.047 0.000 1.749 875 A CA 0.080 52.171 52.037 0.091 0.000 1.386 875 A CB -0.569 18.566 19.000 0.224 0.000 1.043 875 A HN 0.018 nan 8.150 nan 0.000 0.638 876 K N 0.000 120.251 120.400 -0.249 0.000 2.780 876 K HA 0.000 4.318 4.320 -0.004 0.000 0.191 876 K CA 0.000 55.958 56.287 -0.548 0.000 0.838 876 K CB 0.000 32.217 32.500 -0.471 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543