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 1nk6_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 -0.006 0.000 0.831 298 K N 1.491 121.897 120.400 0.009 0.000 2.402 298 K HA 0.522 4.840 4.320 -0.003 0.000 0.265 298 K C 0.276 176.903 176.600 0.045 0.000 0.978 298 K CA 1.150 57.456 56.287 0.030 0.000 0.913 298 K CB 0.174 32.684 32.500 0.018 0.000 0.954 298 K HN 1.566 nan 8.250 nan 0.000 0.511 299 M N 1.646 121.305 119.600 0.099 0.000 2.180 299 M HA 0.537 5.015 4.480 -0.003 0.000 0.350 299 M C 0.187 176.589 176.300 0.170 0.000 1.125 299 M CA -0.561 54.813 55.300 0.124 0.000 1.031 299 M CB 1.499 34.184 32.600 0.142 0.000 1.623 299 M HN 0.827 nan 8.290 nan 0.000 0.451 300 A N 5.067 127.930 122.820 0.071 0.000 2.462 300 A HA 0.591 4.909 4.320 -0.003 0.000 0.243 300 A C -0.851 176.785 177.584 0.088 0.000 1.076 300 A CA -0.042 51.984 52.037 -0.017 0.000 0.773 300 A CB -0.249 18.720 19.000 -0.052 0.000 1.010 300 A HN 0.919 nan 8.150 nan 0.000 0.493 301 F N -1.386 118.501 119.950 -0.104 0.000 2.746 301 F HA 0.532 5.056 4.527 -0.005 0.000 0.311 301 F C -0.653 175.080 175.800 -0.111 0.000 1.135 301 F CA -0.798 57.114 58.000 -0.147 0.000 0.954 301 F CB 0.623 39.565 39.000 -0.097 0.000 1.276 301 F HN 0.317 nan 8.300 nan 0.000 0.440 302 T N 3.509 118.097 114.554 0.058 0.000 2.749 302 T HA 0.394 4.743 4.350 -0.003 0.000 0.295 302 T C -0.364 174.539 174.700 0.339 0.000 0.936 302 T CA -0.247 61.901 62.100 0.080 0.000 1.060 302 T CB 0.917 69.841 68.868 0.092 0.000 0.904 302 T HN 0.766 nan 8.240 nan 0.000 0.500 303 L N 4.256 125.627 121.223 0.246 0.000 2.358 303 L HA 0.559 4.897 4.340 -0.003 0.000 0.274 303 L C 0.624 177.649 176.870 0.257 0.000 1.136 303 L CA -0.543 54.534 54.840 0.395 0.000 0.970 303 L CB -0.424 41.803 42.059 0.279 0.000 1.314 303 L HN 0.724 nan 8.230 nan 0.000 0.427 304 A N 2.617 125.587 122.820 0.250 0.000 2.425 304 A HA 0.176 4.494 4.320 -0.003 0.000 0.242 304 A C 0.430 178.058 177.584 0.074 0.000 1.077 304 A CA -0.247 51.869 52.037 0.132 0.000 0.781 304 A CB 0.278 19.335 19.000 0.096 0.000 1.020 304 A HN 0.746 nan 8.150 nan 0.000 0.494 305 D N -0.172 120.248 120.400 0.033 0.000 2.392 305 D HA 0.157 4.796 4.640 -0.003 0.000 0.206 305 D C 0.206 176.488 176.300 -0.030 0.000 1.046 305 D CA 0.678 54.684 54.000 0.010 0.000 0.865 305 D CB 0.311 41.120 40.800 0.015 0.000 0.969 305 D HN 0.660 nan 8.370 nan 0.000 0.509 306 R N -1.162 119.311 120.500 -0.046 0.000 2.734 306 R HA 0.584 4.923 4.340 -0.003 0.000 0.271 306 R C -1.187 175.044 176.300 -0.114 0.000 1.021 306 R CA -0.891 55.163 56.100 -0.077 0.000 0.893 306 R CB 0.946 31.215 30.300 -0.051 0.000 1.244 306 R HN -0.305 nan 8.270 nan 0.000 0.464 307 V N 1.440 121.270 119.914 -0.140 0.000 2.488 307 V HA 0.482 4.600 4.120 -0.003 0.000 0.277 307 V C 0.272 176.279 176.094 -0.144 0.000 1.046 307 V CA 0.058 62.252 62.300 -0.176 0.000 0.986 307 V CB 0.905 32.637 31.823 -0.151 0.000 0.989 307 V HN 0.962 nan 8.190 nan 0.000 0.475 308 T N 0.195 114.629 114.554 -0.200 0.000 2.942 308 T HA 0.394 4.742 4.350 -0.003 0.000 0.289 308 T C 0.876 175.450 174.700 -0.210 0.000 1.044 308 T CA -0.393 61.603 62.100 -0.173 0.000 1.023 308 T CB 1.944 70.717 68.868 -0.158 0.000 1.123 308 T HN 0.699 nan 8.240 nan 0.000 0.512 309 E N 0.626 120.733 120.200 -0.154 0.000 2.085 309 E HA -0.247 4.101 4.350 -0.003 0.000 0.194 309 E C 1.704 178.198 176.600 -0.176 0.000 0.994 309 E CA 1.800 58.115 56.400 -0.142 0.000 0.801 309 E CB -0.152 29.493 29.700 -0.092 0.000 0.743 309 E HN 0.892 nan 8.360 nan 0.000 0.453 310 E N -0.130 119.944 120.200 -0.209 0.000 2.472 310 E HA -0.173 4.175 4.350 -0.003 0.000 0.200 310 E C 1.705 178.194 176.600 -0.184 0.000 1.046 310 E CA 0.832 57.134 56.400 -0.164 0.000 0.871 310 E CB -0.200 29.341 29.700 -0.265 0.000 0.806 310 E HN 0.406 nan 8.360 nan 0.000 0.533 311 M N 0.526 119.823 119.600 -0.505 0.000 2.556 311 M HA 0.145 4.623 4.480 -0.003 0.000 0.245 311 M C 0.809 176.681 176.300 -0.714 0.000 1.128 311 M CA 0.507 55.349 55.300 -0.765 0.000 1.069 311 M CB 0.373 32.473 32.600 -0.832 0.000 1.469 311 M HN 0.114 nan 8.290 nan 0.000 0.494 312 L N 0.185 121.076 121.223 -0.554 0.000 3.094 312 L HA 0.458 4.796 4.340 -0.003 0.000 0.254 312 L C 0.780 177.549 176.870 -0.167 0.000 1.298 312 L CA -0.788 53.587 54.840 -0.774 0.000 1.050 312 L CB -0.472 41.302 42.059 -0.475 0.000 1.420 312 L HN 0.047 nan 8.230 nan 0.000 0.548 313 A N 0.633 123.440 122.820 -0.022 0.000 2.409 313 A HA 0.042 4.361 4.320 -0.003 0.000 0.246 313 A C 0.912 178.690 177.584 0.323 0.000 1.099 313 A CA 0.298 52.427 52.037 0.154 0.000 0.789 313 A CB 0.161 19.182 19.000 0.035 0.000 1.053 313 A HN 0.558 nan 8.150 nan 0.000 0.503 314 D N -1.058 119.482 120.400 0.234 0.000 2.336 314 D HA 0.137 4.776 4.640 -0.003 0.000 0.229 314 D C 0.224 176.641 176.300 0.194 0.000 1.061 314 D CA 0.566 54.693 54.000 0.212 0.000 0.875 314 D CB -0.042 40.835 40.800 0.128 0.000 0.904 314 D HN 0.445 nan 8.370 nan 0.000 0.525 315 K N -0.341 120.210 120.400 0.252 0.000 2.561 315 K HA 0.637 4.955 4.320 -0.003 0.000 0.254 315 K C -2.039 174.795 176.600 0.390 0.000 0.942 315 K CA -0.706 55.751 56.287 0.285 0.000 0.818 315 K CB 1.814 34.467 32.500 0.255 0.000 1.306 315 K HN 0.048 nan 8.250 nan 0.000 0.435 316 A N 1.842 124.925 122.820 0.440 0.000 2.597 316 A HA 0.758 5.076 4.320 -0.003 0.000 0.292 316 A C -1.799 176.033 177.584 0.414 0.000 1.057 316 A CA -0.501 51.763 52.037 0.378 0.000 0.674 316 A CB 1.340 20.524 19.000 0.305 0.000 1.278 316 A HN 0.732 nan 8.150 nan 0.000 0.416 317 A N 0.321 123.349 122.820 0.347 0.000 2.301 317 A HA 0.676 4.994 4.320 -0.003 0.000 0.298 317 A C -0.688 177.034 177.584 0.230 0.000 1.185 317 A CA -0.247 51.987 52.037 0.328 0.000 0.830 317 A CB 0.373 19.581 19.000 0.346 0.000 1.112 317 A HN 1.966 nan 8.150 nan 0.000 0.508 318 L N 3.346 124.704 121.223 0.225 0.000 2.386 318 L HA 0.756 5.094 4.340 -0.003 0.000 0.271 318 L C -1.201 175.763 176.870 0.158 0.000 0.993 318 L CA -0.356 54.617 54.840 0.222 0.000 0.819 318 L CB 2.239 44.462 42.059 0.274 0.000 1.294 318 L HN 0.382 nan 8.230 nan 0.000 0.414 319 V N 5.578 125.575 119.914 0.138 0.000 2.443 319 V HA 0.495 4.613 4.120 -0.003 0.000 0.293 319 V C -0.800 175.354 176.094 0.100 0.000 1.021 319 V CA -0.534 61.827 62.300 0.101 0.000 0.848 319 V CB 1.950 33.811 31.823 0.064 0.000 0.998 319 V HN 0.523 nan 8.190 nan 0.000 0.424 320 V N 4.193 124.160 119.914 0.088 0.000 2.289 320 V HA 0.348 4.466 4.120 -0.003 0.000 0.272 320 V C 0.019 176.146 176.094 0.056 0.000 1.026 320 V CA -0.670 61.676 62.300 0.076 0.000 0.807 320 V CB 1.335 33.201 31.823 0.073 0.000 1.044 320 V HN 0.914 nan 8.190 nan 0.000 0.443 321 E N 3.516 123.755 120.200 0.065 0.000 2.257 321 E HA 0.380 4.728 4.350 -0.003 0.000 0.278 321 E C -0.815 175.801 176.600 0.028 0.000 1.049 321 E CA 0.097 56.536 56.400 0.065 0.000 0.876 321 E CB 1.200 30.969 29.700 0.114 0.000 1.035 321 E HN 0.429 nan 8.360 nan 0.000 0.419 322 V N 6.346 126.267 119.914 0.011 0.000 2.376 322 V HA 0.108 4.227 4.120 -0.003 0.000 0.287 322 V C 0.780 176.845 176.094 -0.048 0.000 1.015 322 V CA -0.567 61.729 62.300 -0.006 0.000 0.834 322 V CB 1.471 33.311 31.823 0.028 0.000 1.001 322 V HN 0.697 nan 8.190 nan 0.000 0.428 323 V N 2.391 122.220 119.914 -0.141 0.000 2.649 323 V HA 0.032 4.151 4.120 -0.003 0.000 0.248 323 V C 1.223 177.230 176.094 -0.145 0.000 1.054 323 V CA 0.904 63.041 62.300 -0.273 0.000 1.073 323 V CB -0.198 31.326 31.823 -0.498 0.000 0.699 323 V HN 0.801 nan 8.190 nan 0.000 0.463 324 E N 0.751 120.900 120.200 -0.085 0.000 2.415 324 E HA -0.018 4.331 4.350 -0.003 0.000 0.263 324 E C 1.076 177.663 176.600 -0.021 0.000 0.995 324 E CA 0.203 56.571 56.400 -0.054 0.000 0.915 324 E CB 0.841 30.509 29.700 -0.053 0.000 0.951 324 E HN 0.489 nan 8.360 nan 0.000 0.449 325 E N 1.810 121.996 120.200 -0.023 0.000 2.085 325 E HA -0.162 4.186 4.350 -0.003 0.000 0.194 325 E C 0.656 177.216 176.600 -0.068 0.000 0.994 325 E CA 0.672 57.066 56.400 -0.009 0.000 0.801 325 E CB 0.161 29.855 29.700 -0.010 0.000 0.743 325 E HN 0.276 nan 8.360 nan 0.000 0.453 326 N N 0.417 119.049 118.700 -0.113 0.000 2.437 326 N HA -0.039 4.699 4.740 -0.003 0.000 0.243 326 N C -0.204 175.175 175.510 -0.218 0.000 1.041 326 N CA -0.070 52.842 53.050 -0.231 0.000 0.940 326 N CB 0.490 38.895 38.487 -0.138 0.000 1.133 326 N HN 0.101 nan 8.380 nan 0.000 0.506 327 Y N 1.408 121.622 120.300 -0.142 0.000 2.529 327 Y HA 0.255 4.803 4.550 -0.003 0.000 0.290 327 Y C 0.325 176.076 175.900 -0.247 0.000 1.177 327 Y CA -0.471 57.526 58.100 -0.171 0.000 1.305 327 Y CB -0.841 37.537 38.460 -0.136 0.000 1.047 327 Y HN 0.372 nan 8.280 nan 0.000 0.522 328 H N 2.771 121.764 119.070 -0.129 0.000 2.975 328 H HA 0.021 4.576 4.556 -0.002 0.000 0.303 328 H C 0.324 175.099 175.328 -0.921 0.000 1.023 328 H CA 0.886 56.687 56.048 -0.412 0.000 1.473 328 H CB 0.456 30.029 29.762 -0.315 0.000 1.498 328 H HN 0.346 nan 8.280 nan 0.000 0.549 329 D N 0.896 120.469 120.400 -1.378 0.000 2.911 329 D HA -0.179 4.459 4.640 -0.003 0.000 0.227 329 D C -0.138 175.951 176.300 -0.351 0.000 1.164 329 D CA 0.892 54.363 54.000 -0.882 0.000 0.782 329 D CB -0.700 39.424 40.800 -1.127 0.000 1.094 329 D HN 0.750 nan 8.370 nan 0.000 0.425 330 A N -0.191 122.500 122.820 -0.216 0.000 2.264 330 A HA 0.707 5.025 4.320 -0.003 0.000 0.304 330 A C -2.183 175.376 177.584 -0.042 0.000 1.100 330 A CA -1.015 50.959 52.037 -0.104 0.000 0.839 330 A CB 0.696 19.660 19.000 -0.060 0.000 1.121 330 A HN 0.095 nan 8.150 nan 0.000 0.496 331 P HA 0.381 nan 4.420 nan 0.000 0.275 331 P C -0.978 176.322 177.300 -0.001 0.000 1.228 331 P CA 0.059 63.153 63.100 -0.011 0.000 0.786 331 P CB 0.506 32.197 31.700 -0.015 0.000 0.927 332 I N 2.598 123.176 120.570 0.013 0.000 2.306 332 I HA 0.058 4.226 4.170 -0.003 0.000 0.288 332 I C 1.380 177.509 176.117 0.020 0.000 1.036 332 I CA -0.509 60.801 61.300 0.018 0.000 1.221 332 I CB 1.383 39.399 38.000 0.027 0.000 1.385 332 I HN 0.191 nan 8.210 nan 0.000 0.472 333 V N 3.027 122.958 119.914 0.028 0.000 3.573 333 V HA 0.501 4.619 4.120 -0.003 0.000 0.270 333 V C 0.694 176.853 176.094 0.108 0.000 1.221 333 V CA 0.583 62.918 62.300 0.058 0.000 1.163 333 V CB -0.656 31.200 31.823 0.055 0.000 0.847 333 V HN 0.824 nan 8.190 nan 0.000 0.468 334 G N -0.602 108.242 108.800 0.073 0.000 2.355 334 G HA2 0.560 4.518 3.960 -0.003 0.000 0.296 334 G HA3 0.560 4.518 3.960 -0.003 0.000 0.296 334 G C -1.736 173.127 174.900 -0.061 0.000 1.507 334 G CA -0.706 44.418 45.100 0.040 0.000 0.823 334 G HN 0.196 nan 8.290 nan 0.000 0.569 335 I N 0.329 120.711 120.570 -0.313 0.000 2.619 335 I HA 0.699 4.867 4.170 -0.003 0.000 0.292 335 I C 0.045 176.036 176.117 -0.210 0.000 1.100 335 I CA -1.015 60.167 61.300 -0.196 0.000 1.043 335 I CB 2.328 40.201 38.000 -0.211 0.000 1.239 335 I HN 0.861 nan 8.210 nan 0.000 0.420 336 A N 5.666 128.483 122.820 -0.004 0.000 2.393 336 A HA 0.881 5.199 4.320 -0.003 0.000 0.306 336 A C -1.351 176.287 177.584 0.090 0.000 1.050 336 A CA -0.522 51.545 52.037 0.049 0.000 0.724 336 A CB 1.796 20.831 19.000 0.059 0.000 1.248 336 A HN 0.389 nan 8.150 nan 0.000 0.424 337 V N 2.175 122.160 119.914 0.117 0.000 2.638 337 V HA 0.616 4.735 4.120 -0.003 0.000 0.306 337 V C -0.743 175.432 176.094 0.135 0.000 1.052 337 V CA -0.526 61.856 62.300 0.136 0.000 0.885 337 V CB 1.804 33.675 31.823 0.080 0.000 0.999 337 V HN 0.725 nan 8.190 nan 0.000 0.424 338 V N 5.115 125.020 119.914 -0.015 0.000 2.577 338 V HA 0.670 4.788 4.120 -0.003 0.000 0.303 338 V C -0.518 175.203 176.094 -0.622 0.000 1.042 338 V CA -0.468 61.680 62.300 -0.254 0.000 0.872 338 V CB 1.942 33.582 31.823 -0.304 0.000 0.998 338 V HN 1.150 nan 8.190 nan 0.000 0.423 339 N N 2.122 120.424 118.700 -0.663 0.000 3.418 339 N HA 0.272 5.010 4.740 -0.003 0.000 0.316 339 N C 0.711 175.865 175.510 -0.592 0.000 1.601 339 N CA -0.358 52.176 53.050 -0.860 0.000 0.805 339 N CB 0.539 38.837 38.487 -0.317 0.000 1.873 339 N HN 0.508 nan 8.380 nan 0.000 0.615 340 E N -0.985 119.023 120.200 -0.320 0.000 2.265 340 E HA -0.239 4.109 4.350 -0.003 0.000 0.196 340 E C 0.313 176.850 176.600 -0.105 0.000 0.996 340 E CA 1.437 57.760 56.400 -0.127 0.000 0.832 340 E CB -0.622 29.008 29.700 -0.117 0.000 0.756 340 E HN 0.717 nan 8.360 nan 0.000 0.491 341 H N 0.215 119.320 119.070 0.058 0.000 2.563 341 H HA 0.342 4.896 4.556 -0.004 0.000 0.264 341 H C 0.866 176.235 175.328 0.067 0.000 0.957 341 H CA -0.234 55.878 56.048 0.108 0.000 1.173 341 H CB 0.993 30.861 29.762 0.176 0.000 1.420 341 H HN 0.353 nan 8.280 nan 0.000 0.551 342 G N 0.244 109.058 108.800 0.024 0.000 2.320 342 G HA2 0.003 3.961 3.960 -0.003 0.000 0.274 342 G HA3 0.003 3.961 3.960 -0.003 0.000 0.274 342 G C -1.590 173.009 174.900 -0.502 0.000 1.324 342 G CA -1.239 43.699 45.100 -0.270 0.000 0.957 342 G HN 0.125 nan 8.290 nan 0.000 0.481 343 R N -0.471 119.603 120.500 -0.710 0.000 2.494 343 R HA 0.693 5.032 4.340 -0.003 0.000 0.305 343 R C -1.405 174.482 176.300 -0.689 0.000 0.959 343 R CA -0.443 55.362 56.100 -0.491 0.000 0.864 343 R CB 1.439 31.640 30.300 -0.165 0.000 1.159 343 R HN 0.314 nan 8.270 nan 0.000 0.446 344 F N 1.804 121.778 119.950 0.041 0.000 2.576 344 F HA 0.488 5.016 4.527 0.003 0.000 0.313 344 F C -0.561 175.289 175.800 0.085 0.000 1.078 344 F CA -1.189 56.862 58.000 0.086 0.000 0.921 344 F CB 1.498 40.495 39.000 -0.006 0.000 1.232 344 F HN 0.341 nan 8.300 nan 0.000 0.459 345 F N 3.569 123.629 119.950 0.184 0.000 2.493 345 F HA 0.785 5.310 4.527 -0.003 0.000 0.329 345 F C -1.813 174.015 175.800 0.047 0.000 1.126 345 F CA -0.865 57.161 58.000 0.044 0.000 0.937 345 F CB 0.996 39.998 39.000 0.004 0.000 1.146 345 F HN 0.333 nan 8.300 nan 0.000 0.442 346 L N 6.301 127.042 121.223 -0.803 0.000 2.362 346 L HA 0.575 4.913 4.340 -0.003 0.000 0.271 346 L C -0.335 176.006 176.870 -0.883 0.000 1.002 346 L CA -1.072 53.376 54.840 -0.653 0.000 0.818 346 L CB 2.193 43.909 42.059 -0.572 0.000 1.298 346 L HN 0.572 nan 8.230 nan 0.000 0.420 347 R N 3.385 123.588 120.500 -0.495 0.000 2.438 347 R HA 0.159 4.497 4.340 -0.003 0.000 0.287 347 R C -1.515 174.630 176.300 -0.258 0.000 1.077 347 R CA -1.487 54.434 56.100 -0.299 0.000 1.034 347 R CB 0.866 31.122 30.300 -0.073 0.000 0.993 347 R HN 0.392 nan 8.270 nan 0.000 0.459 348 P HA -0.268 nan 4.420 nan 0.000 0.215 348 P C 0.778 178.029 177.300 -0.081 0.000 1.153 348 P CA 1.538 64.565 63.100 -0.122 0.000 0.853 348 P CB 0.118 31.786 31.700 -0.053 0.000 0.788 349 E N -0.302 119.866 120.200 -0.053 0.000 2.160 349 E HA -0.147 4.202 4.350 -0.003 0.000 0.195 349 E C 1.474 178.045 176.600 -0.048 0.000 0.991 349 E CA 1.624 58.006 56.400 -0.030 0.000 0.810 349 E CB -1.452 28.240 29.700 -0.014 0.000 0.742 349 E HN 0.207 nan 8.360 nan 0.000 0.466 350 T N 1.189 115.690 114.554 -0.088 0.000 2.781 350 T HA 0.162 4.510 4.350 -0.003 0.000 0.252 350 T C 2.102 176.708 174.700 -0.156 0.000 1.039 350 T CA 1.292 63.327 62.100 -0.108 0.000 1.147 350 T CB -0.272 68.520 68.868 -0.127 0.000 0.865 350 T HN 0.387 nan 8.240 nan 0.000 0.423 351 A N 1.504 124.157 122.820 -0.279 0.000 1.902 351 A HA 0.050 4.368 4.320 -0.003 0.000 0.217 351 A C 2.209 179.726 177.584 -0.112 0.000 1.181 351 A CA 1.185 52.937 52.037 -0.474 0.000 0.623 351 A CB -0.949 17.472 19.000 -0.965 0.000 0.818 351 A HN 0.470 nan 8.150 nan 0.000 0.443 352 L N -1.151 120.064 121.223 -0.014 0.000 2.465 352 L HA -0.077 4.261 4.340 -0.003 0.000 0.224 352 L C 2.573 179.493 176.870 0.083 0.000 1.145 352 L CA 0.698 55.603 54.840 0.108 0.000 0.834 352 L CB -0.328 41.775 42.059 0.074 0.000 0.944 352 L HN 0.468 nan 8.230 nan 0.000 0.451 353 A N -1.819 121.024 122.820 0.038 0.000 2.169 353 A HA -0.030 4.288 4.320 -0.003 0.000 0.210 353 A C 0.864 178.473 177.584 0.041 0.000 1.168 353 A CA -0.146 51.911 52.037 0.033 0.000 0.813 353 A CB -0.021 18.985 19.000 0.010 0.000 0.861 353 A HN 0.229 nan 8.150 nan 0.000 0.481 354 D N 0.614 121.045 120.400 0.051 0.000 2.358 354 D HA 0.149 4.788 4.640 -0.003 0.000 0.258 354 D C -1.726 174.638 176.300 0.107 0.000 1.223 354 D CA -1.499 52.539 54.000 0.062 0.000 0.886 354 D CB 1.244 42.070 40.800 0.043 0.000 1.120 354 D HN 0.000 nan 8.370 nan 0.000 0.482 355 P HA -0.184 nan 4.420 nan 0.000 0.216 355 P C 1.060 178.409 177.300 0.082 0.000 1.153 355 P CA 1.330 64.468 63.100 0.064 0.000 0.858 355 P CB 0.395 32.119 31.700 0.040 0.000 0.789 356 Q N -1.976 117.876 119.800 0.087 0.000 2.046 356 Q HA -0.122 4.217 4.340 -0.003 0.000 0.200 356 Q C 1.961 178.055 176.000 0.157 0.000 0.975 356 Q CA 1.354 57.214 55.803 0.095 0.000 0.836 356 Q CB -1.352 27.422 28.738 0.060 0.000 0.896 356 Q HN 0.206 nan 8.270 nan 0.000 0.428 357 F N 0.088 120.055 119.950 0.028 0.000 2.095 357 F HA -0.213 4.312 4.527 -0.004 0.000 0.298 357 F C 1.920 177.820 175.800 0.166 0.000 1.104 357 F CA 1.027 59.072 58.000 0.074 0.000 1.232 357 F CB -0.369 38.631 39.000 0.000 0.000 0.987 357 F HN -0.129 nan 8.300 nan 0.000 0.475 358 V N 0.365 120.375 119.914 0.159 0.000 2.332 358 V HA -0.349 3.770 4.120 -0.003 0.000 0.248 358 V C 2.689 178.774 176.094 -0.015 0.000 1.055 358 V CA 1.903 64.231 62.300 0.047 0.000 1.038 358 V CB -1.608 30.260 31.823 0.075 0.000 0.651 358 V HN 0.481 nan 8.190 nan 0.000 0.450 359 A N -1.160 121.676 122.820 0.027 0.000 1.930 359 A HA -0.258 4.060 4.320 -0.003 0.000 0.217 359 A C 1.940 179.525 177.584 0.001 0.000 1.175 359 A CA 1.726 53.768 52.037 0.009 0.000 0.627 359 A CB -0.849 18.172 19.000 0.035 0.000 0.815 359 A HN 0.740 nan 8.150 nan 0.000 0.443 360 W N 0.741 121.940 121.300 -0.169 0.000 2.355 360 W HA -0.162 4.496 4.660 -0.003 0.000 0.309 360 W C 1.701 178.066 176.519 -0.257 0.000 1.206 360 W CA 1.869 59.093 57.345 -0.202 0.000 1.284 360 W CB -0.367 28.946 29.460 -0.245 0.000 1.145 360 W HN 0.243 nan 8.180 nan 0.000 0.502 361 L N 0.287 121.322 121.223 -0.314 0.000 2.042 361 L HA -0.132 4.206 4.340 -0.003 0.000 0.210 361 L C 2.479 179.114 176.870 -0.392 0.000 1.076 361 L CA 1.615 56.163 54.840 -0.486 0.000 0.749 361 L CB -1.352 40.511 42.059 -0.327 0.000 0.893 361 L HN 0.262 nan 8.230 nan 0.000 0.432 362 G N -1.925 106.723 108.800 -0.253 0.000 2.985 362 G HA2 -0.117 3.842 3.960 -0.003 0.000 0.209 362 G HA3 -0.117 3.842 3.960 -0.003 0.000 0.209 362 G C 0.210 174.996 174.900 -0.191 0.000 1.165 362 G CA -0.207 44.777 45.100 -0.195 0.000 0.776 362 G HN 0.146 nan 8.290 nan 0.000 0.541 363 D N 0.812 121.067 120.400 -0.241 0.000 2.365 363 D HA 0.076 4.714 4.640 -0.003 0.000 0.237 363 D C 1.168 177.332 176.300 -0.227 0.000 1.190 363 D CA -0.306 53.577 54.000 -0.195 0.000 0.867 363 D CB 0.933 41.634 40.800 -0.166 0.000 1.050 363 D HN 0.318 nan 8.370 nan 0.000 0.491 364 E N 1.763 121.867 120.200 -0.159 0.000 2.267 364 E HA -0.182 4.166 4.350 -0.003 0.000 0.197 364 E C 1.217 177.743 176.600 -0.123 0.000 0.998 364 E CA 1.166 57.482 56.400 -0.141 0.000 0.830 364 E CB 0.340 29.981 29.700 -0.098 0.000 0.751 364 E HN 0.575 nan 8.360 nan 0.000 0.491 365 T N -1.461 113.030 114.554 -0.105 0.000 3.113 365 T HA 0.058 4.406 4.350 -0.003 0.000 0.256 365 T C 0.622 175.277 174.700 -0.075 0.000 1.131 365 T CA -0.051 62.008 62.100 -0.069 0.000 1.074 365 T CB 0.176 69.022 68.868 -0.036 0.000 0.944 365 T HN -0.162 nan 8.240 nan 0.000 0.516 366 K N 2.803 123.107 120.400 -0.160 0.000 2.266 366 K HA 0.337 4.655 4.320 -0.003 0.000 0.274 366 K C -0.302 176.157 176.600 -0.235 0.000 1.090 366 K CA -0.404 55.768 56.287 -0.192 0.000 0.925 366 K CB 0.999 33.217 32.500 -0.470 0.000 1.225 366 K HN 0.164 nan 8.250 nan 0.000 0.458 367 K N 2.506 122.861 120.400 -0.076 0.000 2.368 367 K HA 0.192 4.511 4.320 -0.003 0.000 0.282 367 K C -0.024 176.576 176.600 -0.000 0.000 1.035 367 K CA -0.367 55.894 56.287 -0.043 0.000 0.973 367 K CB 0.522 33.034 32.500 0.021 0.000 0.957 367 K HN 0.246 nan 8.250 nan 0.000 0.474 368 K N 0.586 120.969 120.400 -0.028 0.000 2.316 368 K HA 0.386 4.704 4.320 -0.003 0.000 0.251 368 K C -0.704 175.965 176.600 0.116 0.000 0.934 368 K CA -0.427 55.886 56.287 0.043 0.000 0.802 368 K CB 1.969 34.424 32.500 -0.075 0.000 1.171 368 K HN 0.304 nan 8.250 nan 0.000 0.426 369 S N 2.717 118.540 115.700 0.206 0.000 2.449 369 S HA 0.637 5.106 4.470 -0.003 0.000 0.310 369 S C -0.689 174.047 174.600 0.227 0.000 1.096 369 S CA -0.772 57.595 58.200 0.278 0.000 1.095 369 S CB 0.430 63.827 63.200 0.329 0.000 1.007 369 S HN 0.464 nan 8.310 nan 0.000 0.474 370 M N 1.908 121.599 119.600 0.153 0.000 2.948 370 M HA 0.588 5.066 4.480 -0.003 0.000 0.278 370 M C -1.646 174.698 176.300 0.075 0.000 1.293 370 M CA -0.747 54.618 55.300 0.109 0.000 0.777 370 M CB 1.579 34.207 32.600 0.046 0.000 1.713 370 M HN 0.581 nan 8.290 nan 0.000 0.444 371 F N 1.732 121.650 119.950 -0.054 0.000 2.499 371 F HA 0.363 4.889 4.527 -0.002 0.000 0.333 371 F C -0.403 175.352 175.800 -0.074 0.000 1.138 371 F CA -0.257 57.693 58.000 -0.083 0.000 0.945 371 F CB 0.804 39.770 39.000 -0.056 0.000 1.181 371 F HN 0.699 nan 8.300 nan 0.000 0.435 372 D N 3.392 123.516 120.400 -0.459 0.000 2.760 372 D HA -0.215 4.424 4.640 -0.003 0.000 0.244 372 D C 1.016 177.221 176.300 -0.159 0.000 1.123 372 D CA 1.006 54.832 54.000 -0.291 0.000 0.719 372 D CB -0.747 39.980 40.800 -0.122 0.000 1.045 372 D HN 0.626 nan 8.370 nan 0.000 0.426 373 S N 0.365 115.964 115.700 -0.169 0.000 2.419 373 S HA -0.242 4.226 4.470 -0.003 0.000 0.233 373 S C 1.856 176.355 174.600 -0.168 0.000 1.016 373 S CA 1.424 59.543 58.200 -0.136 0.000 0.974 373 S CB -0.007 63.117 63.200 -0.126 0.000 0.786 373 S HN 0.554 nan 8.310 nan 0.000 0.492 374 K N 1.816 122.106 120.400 -0.183 0.000 2.097 374 K HA -0.120 4.199 4.320 -0.003 0.000 0.206 374 K C 2.511 178.859 176.600 -0.420 0.000 1.049 374 K CA 1.248 57.414 56.287 -0.203 0.000 0.933 374 K CB -0.236 32.199 32.500 -0.109 0.000 0.717 374 K HN 0.480 nan 8.250 nan 0.000 0.442 375 R N 0.223 120.396 120.500 -0.545 0.000 2.080 375 R HA -0.160 4.179 4.340 -0.003 0.000 0.236 375 R C 2.123 178.075 176.300 -0.579 0.000 1.137 375 R CA 1.692 57.205 56.100 -0.978 0.000 0.943 375 R CB -0.473 29.565 30.300 -0.437 0.000 0.846 375 R HN 0.267 nan 8.270 nan 0.000 0.431 376 A N 0.763 123.414 122.820 -0.282 0.000 1.902 376 A HA -0.064 4.254 4.320 -0.003 0.000 0.217 376 A C 2.431 179.924 177.584 -0.152 0.000 1.181 376 A CA 1.652 53.598 52.037 -0.153 0.000 0.623 376 A CB -0.882 18.071 19.000 -0.078 0.000 0.818 376 A HN 0.593 nan 8.150 nan 0.000 0.443 377 A N -0.569 122.143 122.820 -0.179 0.000 1.908 377 A HA -0.042 4.276 4.320 -0.003 0.000 0.218 377 A C 2.242 179.732 177.584 -0.156 0.000 1.181 377 A CA 1.992 53.934 52.037 -0.158 0.000 0.627 377 A CB -0.917 17.994 19.000 -0.148 0.000 0.818 377 A HN 0.413 nan 8.150 nan 0.000 0.445 378 V N -0.369 119.450 119.914 -0.158 0.000 2.379 378 V HA -0.162 3.956 4.120 -0.003 0.000 0.245 378 V C 3.043 179.241 176.094 0.174 0.000 1.044 378 V CA 1.694 64.000 62.300 0.010 0.000 1.036 378 V CB -1.228 30.676 31.823 0.136 0.000 0.664 378 V HN 0.610 nan 8.190 nan 0.000 0.453 379 A N -0.094 122.765 122.820 0.066 0.000 1.940 379 A HA -0.185 4.133 4.320 -0.003 0.000 0.219 379 A C 2.218 179.881 177.584 0.132 0.000 1.176 379 A CA 1.893 54.016 52.037 0.143 0.000 0.631 379 A CB -0.539 18.480 19.000 0.032 0.000 0.814 379 A HN 0.513 nan 8.150 nan 0.000 0.446 380 L N -1.121 120.114 121.223 0.018 0.000 2.109 380 L HA -0.146 4.192 4.340 -0.003 0.000 0.207 380 L C 2.541 179.360 176.870 -0.084 0.000 1.086 380 L CA 1.438 56.269 54.840 -0.015 0.000 0.760 380 L CB -0.398 41.629 42.059 -0.054 0.000 0.910 380 L HN 0.332 nan 8.230 nan 0.000 0.437 381 K N -0.544 119.713 120.400 -0.238 0.000 2.103 381 K HA -0.221 4.097 4.320 -0.003 0.000 0.207 381 K C 1.878 178.183 176.600 -0.492 0.000 1.048 381 K CA 1.828 57.729 56.287 -0.643 0.000 0.930 381 K CB -0.262 31.441 32.500 -1.329 0.000 0.716 381 K HN 0.269 nan 8.250 nan 0.000 0.444 382 W N 1.209 122.441 121.300 -0.113 0.000 2.465 382 W HA -0.090 4.568 4.660 -0.003 0.000 0.268 382 W C 1.382 177.948 176.519 0.079 0.000 1.242 382 W CA 0.729 58.173 57.345 0.165 0.000 1.248 382 W CB 0.181 29.752 29.460 0.185 0.000 1.118 382 W HN -0.052 nan 8.180 nan 0.000 0.587 383 K N -0.312 120.202 120.400 0.191 0.000 2.410 383 K HA 0.243 4.562 4.320 -0.003 0.000 0.200 383 K C 1.236 177.869 176.600 0.055 0.000 1.023 383 K CA 0.488 56.848 56.287 0.122 0.000 1.149 383 K CB 0.285 32.843 32.500 0.095 0.000 0.859 383 K HN 0.034 nan 8.250 nan 0.000 0.514 384 G N 2.001 110.806 108.800 0.008 0.000 2.198 384 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.260 384 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.260 384 G C -0.046 174.826 174.900 -0.046 0.000 1.025 384 G CA 0.079 45.164 45.100 -0.025 0.000 0.769 384 G HN 0.291 nan 8.290 nan 0.000 0.507 385 I N 0.006 120.535 120.570 -0.068 0.000 2.465 385 I HA 0.373 4.541 4.170 -0.003 0.000 0.291 385 I C 0.237 176.287 176.117 -0.112 0.000 1.014 385 I CA -0.806 60.456 61.300 -0.063 0.000 1.093 385 I CB 1.945 39.934 38.000 -0.019 0.000 1.267 385 I HN 0.195 nan 8.210 nan 0.000 0.431 386 E N 5.967 126.100 120.200 -0.111 0.000 2.227 386 E HA 0.368 4.717 4.350 -0.003 0.000 0.282 386 E C -1.509 175.005 176.600 -0.144 0.000 1.015 386 E CA -0.806 55.514 56.400 -0.135 0.000 0.823 386 E CB 1.643 31.271 29.700 -0.119 0.000 1.081 386 E HN 0.380 nan 8.360 nan 0.000 0.396 387 L N 5.810 126.940 121.223 -0.154 0.000 2.287 387 L HA 0.433 4.771 4.340 -0.003 0.000 0.287 387 L C -1.507 175.258 176.870 -0.176 0.000 1.022 387 L CA -0.217 54.518 54.840 -0.174 0.000 0.814 387 L CB 0.779 42.746 42.059 -0.153 0.000 1.217 387 L HN 0.674 nan 8.230 nan 0.000 0.420 388 C N 2.348 121.521 119.300 -0.212 0.000 3.044 388 C HA 0.830 5.289 4.460 -0.003 0.000 0.315 388 C C 1.072 175.926 174.990 -0.228 0.000 1.320 388 C CA -0.030 58.875 59.018 -0.188 0.000 1.582 388 C CB 1.433 29.073 27.740 -0.168 0.000 2.039 388 C HN 1.092 nan 8.230 nan 0.000 0.466 389 G N 0.452 109.147 108.800 -0.175 0.000 2.143 389 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.249 389 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.249 389 G C -0.117 174.702 174.900 -0.135 0.000 0.981 389 G CA 0.279 45.277 45.100 -0.170 0.000 0.665 389 G HN 0.874 nan 8.290 nan 0.000 0.528 390 V N 2.103 121.948 119.914 -0.116 0.000 2.397 390 V HA 0.378 4.496 4.120 -0.003 0.000 0.262 390 V C 1.585 177.659 176.094 -0.034 0.000 1.047 390 V CA 1.033 63.288 62.300 -0.074 0.000 1.003 390 V CB 0.997 32.768 31.823 -0.086 0.000 1.037 390 V HN 0.806 nan 8.190 nan 0.000 0.480 391 S N 4.083 119.793 115.700 0.017 0.000 2.511 391 S HA 0.253 4.721 4.470 -0.003 0.000 0.214 391 S C -0.052 174.636 174.600 0.145 0.000 0.997 391 S CA -0.093 58.140 58.200 0.055 0.000 0.908 391 S CB 0.152 63.385 63.200 0.054 0.000 0.803 391 S HN 0.538 nan 8.310 nan 0.000 0.504 392 F N 1.837 121.769 119.950 -0.030 0.000 2.588 392 F HA 0.533 5.059 4.527 -0.002 0.000 0.318 392 F C -1.971 173.804 175.800 -0.041 0.000 1.155 392 F CA -1.010 56.972 58.000 -0.029 0.000 0.967 392 F CB 1.781 40.767 39.000 -0.023 0.000 1.236 392 F HN -0.044 nan 8.300 nan 0.000 0.455 393 D N 6.369 126.285 120.400 -0.806 0.000 2.453 393 D HA 0.143 4.781 4.640 -0.003 0.000 0.238 393 D C 0.710 176.435 176.300 -0.958 0.000 1.088 393 D CA -0.266 53.343 54.000 -0.651 0.000 0.854 393 D CB 1.656 42.215 40.800 -0.401 0.000 1.076 393 D HN 0.697 nan 8.370 nan 0.000 0.533 394 L N 5.121 125.866 121.223 -0.797 0.000 2.127 394 L HA -0.135 4.203 4.340 -0.003 0.000 0.211 394 L C 1.889 178.495 176.870 -0.440 0.000 1.089 394 L CA 1.513 56.022 54.840 -0.551 0.000 0.757 394 L CB -0.538 41.490 42.059 -0.051 0.000 0.899 394 L HN 0.523 nan 8.230 nan 0.000 0.434 395 L N -0.973 119.801 121.223 -0.748 0.000 2.017 395 L HA -0.180 4.158 4.340 -0.003 0.000 0.208 395 L C 2.243 178.915 176.870 -0.331 0.000 1.073 395 L CA 1.868 56.206 54.840 -0.835 0.000 0.745 395 L CB -0.607 40.670 42.059 -1.303 0.000 0.894 395 L HN 0.274 nan 8.230 nan 0.000 0.432 396 L N -0.590 120.441 121.223 -0.319 0.000 2.141 396 L HA -0.119 4.219 4.340 -0.003 0.000 0.209 396 L C 2.662 179.530 176.870 -0.003 0.000 1.094 396 L CA 0.963 55.736 54.840 -0.110 0.000 0.763 396 L CB -0.985 40.986 42.059 -0.148 0.000 0.908 396 L HN 0.404 nan 8.230 nan 0.000 0.437 397 A N 0.247 123.000 122.820 -0.112 0.000 1.873 397 A HA -0.106 4.212 4.320 -0.003 0.000 0.215 397 A C 2.563 180.311 177.584 0.274 0.000 1.186 397 A CA 1.579 53.665 52.037 0.081 0.000 0.616 397 A CB -0.614 18.441 19.000 0.092 0.000 0.823 397 A HN 0.366 nan 8.150 nan 0.000 0.442 398 A N -1.333 121.651 122.820 0.274 0.000 1.902 398 A HA -0.118 4.200 4.320 -0.003 0.000 0.217 398 A C 2.145 179.899 177.584 0.284 0.000 1.181 398 A CA 1.721 54.005 52.037 0.411 0.000 0.623 398 A CB -0.890 18.327 19.000 0.362 0.000 0.818 398 A HN 0.756 nan 8.150 nan 0.000 0.443 399 Y N 0.661 121.013 120.300 0.088 0.000 2.165 399 Y HA -0.189 4.359 4.550 -0.003 0.000 0.286 399 Y C 1.893 177.838 175.900 0.075 0.000 1.155 399 Y CA 1.849 59.989 58.100 0.066 0.000 1.164 399 Y CB -0.360 38.108 38.460 0.013 0.000 0.978 399 Y HN 0.218 nan 8.280 nan 0.000 0.513 400 L N -0.711 120.495 121.223 -0.029 0.000 2.109 400 L HA -0.205 4.133 4.340 -0.003 0.000 0.207 400 L C 2.459 179.291 176.870 -0.064 0.000 1.086 400 L CA 0.927 55.684 54.840 -0.139 0.000 0.760 400 L CB -0.550 41.501 42.059 -0.014 0.000 0.910 400 L HN 0.286 nan 8.230 nan 0.000 0.437 401 L N -0.874 120.373 121.223 0.041 0.000 2.083 401 L HA -0.101 4.237 4.340 -0.003 0.000 0.209 401 L C 0.345 177.283 176.870 0.113 0.000 1.083 401 L CA 0.997 55.871 54.840 0.057 0.000 0.752 401 L CB -0.049 42.038 42.059 0.047 0.000 0.899 401 L HN 0.256 nan 8.230 nan 0.000 0.433 402 D N -1.768 118.689 120.400 0.095 0.000 2.362 402 D HA 0.090 4.728 4.640 -0.003 0.000 0.228 402 D C -2.045 174.314 176.300 0.098 0.000 1.326 402 D CA -1.065 53.021 54.000 0.143 0.000 0.927 402 D CB 1.141 42.011 40.800 0.117 0.000 1.501 402 D HN -0.181 nan 8.370 nan 0.000 0.519 403 P HA -0.050 nan 4.420 nan 0.000 0.228 403 P C 1.024 178.423 177.300 0.165 0.000 1.151 403 P CA 0.438 63.569 63.100 0.051 0.000 0.770 403 P CB 0.368 31.973 31.700 -0.158 0.000 0.786 404 A N -0.314 122.593 122.820 0.145 0.000 2.067 404 A HA -0.115 4.203 4.320 -0.003 0.000 0.217 404 A C 2.360 180.025 177.584 0.135 0.000 1.156 404 A CA 0.944 53.069 52.037 0.146 0.000 0.683 404 A CB -0.937 18.151 19.000 0.147 0.000 0.808 404 A HN 0.062 nan 8.150 nan 0.000 0.455 405 Q N -0.375 119.506 119.800 0.136 0.000 2.226 405 Q HA 0.059 4.398 4.340 -0.003 0.000 0.204 405 Q C 1.231 177.315 176.000 0.141 0.000 0.975 405 Q CA 1.112 56.991 55.803 0.126 0.000 0.866 405 Q CB -0.610 28.206 28.738 0.129 0.000 0.915 405 Q HN 0.997 nan 8.270 nan 0.000 0.440 406 G N -0.261 108.640 108.800 0.168 0.000 2.272 406 G HA2 -0.234 3.725 3.960 -0.003 0.000 0.280 406 G HA3 -0.234 3.725 3.960 -0.003 0.000 0.280 406 G C -0.309 174.692 174.900 0.168 0.000 1.067 406 G CA 0.227 45.425 45.100 0.163 0.000 0.902 406 G HN 0.241 nan 8.290 nan 0.000 0.500 407 V N 1.062 121.096 119.914 0.201 0.000 2.529 407 V HA 0.341 4.459 4.120 -0.003 0.000 0.292 407 V C 1.055 177.306 176.094 0.262 0.000 1.028 407 V CA 1.081 63.520 62.300 0.232 0.000 1.074 407 V CB 1.299 33.290 31.823 0.280 0.000 0.958 407 V HN 0.669 nan 8.190 nan 0.000 0.481 408 D N 1.565 122.124 120.400 0.265 0.000 2.556 408 D HA 0.170 4.808 4.640 -0.003 0.000 0.237 408 D C -0.216 176.268 176.300 0.306 0.000 1.296 408 D CA -0.200 53.978 54.000 0.296 0.000 0.807 408 D CB 0.417 41.327 40.800 0.184 0.000 1.084 408 D HN 0.640 nan 8.370 nan 0.000 0.510 409 D N -1.655 118.836 120.400 0.152 0.000 2.622 409 D HA 0.096 4.734 4.640 -0.003 0.000 0.255 409 D C 0.848 176.734 176.300 -0.690 0.000 1.246 409 D CA -0.827 52.977 54.000 -0.326 0.000 0.795 409 D CB 1.268 42.008 40.800 -0.099 0.000 1.369 409 D HN -0.237 nan 8.370 nan 0.000 0.425 410 V N 0.803 120.115 119.914 -1.003 0.000 2.332 410 V HA -0.196 3.922 4.120 -0.003 0.000 0.248 410 V C 2.646 178.614 176.094 -0.210 0.000 1.055 410 V CA 2.820 64.724 62.300 -0.660 0.000 1.038 410 V CB -1.171 30.362 31.823 -0.484 0.000 0.651 410 V HN 0.801 nan 8.190 nan 0.000 0.450 411 A N 0.043 122.795 122.820 -0.114 0.000 1.917 411 A HA -0.202 4.116 4.320 -0.003 0.000 0.219 411 A C 2.436 180.054 177.584 0.057 0.000 1.182 411 A CA 2.400 54.447 52.037 0.017 0.000 0.633 411 A CB -0.836 18.187 19.000 0.039 0.000 0.819 411 A HN 0.605 nan 8.150 nan 0.000 0.448 412 A N -0.367 122.481 122.820 0.048 0.000 1.902 412 A HA 0.180 4.498 4.320 -0.003 0.000 0.217 412 A C 2.509 180.190 177.584 0.162 0.000 1.181 412 A CA 2.110 54.211 52.037 0.106 0.000 0.623 412 A CB -0.984 18.088 19.000 0.119 0.000 0.818 412 A HN 1.078 nan 8.150 nan 0.000 0.443 413 A N -0.225 122.703 122.820 0.179 0.000 1.898 413 A HA 0.223 4.541 4.320 -0.003 0.000 0.216 413 A C 2.473 180.244 177.584 0.313 0.000 1.181 413 A CA 1.876 54.077 52.037 0.274 0.000 0.620 413 A CB -0.944 18.193 19.000 0.228 0.000 0.819 413 A HN 1.041 nan 8.150 nan 0.000 0.442 414 A N -0.361 122.568 122.820 0.182 0.000 1.972 414 A HA -0.139 4.180 4.320 -0.003 0.000 0.219 414 A C 2.053 179.803 177.584 0.277 0.000 1.169 414 A CA 1.985 54.152 52.037 0.217 0.000 0.635 414 A CB -0.396 18.699 19.000 0.159 0.000 0.810 414 A HN 0.505 nan 8.150 nan 0.000 0.446 415 K N -0.766 119.762 120.400 0.214 0.000 2.209 415 K HA -0.025 4.294 4.320 -0.003 0.000 0.204 415 K C 1.876 178.568 176.600 0.153 0.000 1.048 415 K CA 1.379 57.766 56.287 0.168 0.000 0.940 415 K CB -0.269 32.305 32.500 0.124 0.000 0.729 415 K HN 0.523 nan 8.250 nan 0.000 0.451 416 M N 0.215 119.926 119.600 0.185 0.000 2.267 416 M HA -0.145 4.334 4.480 -0.003 0.000 0.263 416 M C 0.718 177.058 176.300 0.065 0.000 1.063 416 M CA 1.357 56.728 55.300 0.117 0.000 1.090 416 M CB 0.265 32.950 32.600 0.142 0.000 1.392 416 M HN -0.118 nan 8.290 nan 0.000 0.422 417 K N 0.354 120.839 120.400 0.142 0.000 2.618 417 K HA 0.150 4.468 4.320 -0.003 0.000 0.207 417 K C -0.061 176.625 176.600 0.144 0.000 1.058 417 K CA 0.085 56.439 56.287 0.111 0.000 1.086 417 K CB 0.678 33.273 32.500 0.158 0.000 0.827 417 K HN 0.226 nan 8.250 nan 0.000 0.481 418 Q N -0.861 119.014 119.800 0.126 0.000 2.481 418 Q HA -0.265 4.073 4.340 -0.003 0.000 0.272 418 Q C -0.669 175.412 176.000 0.135 0.000 1.157 418 Q CA 0.920 56.783 55.803 0.101 0.000 0.935 418 Q CB -2.967 25.806 28.738 0.059 0.000 1.338 418 Q HN 0.458 nan 8.270 nan 0.000 0.494 419 Y N 0.390 120.733 120.300 0.073 0.000 2.342 419 Y HA 0.354 4.906 4.550 0.002 0.000 0.338 419 Y C 0.775 176.711 175.900 0.060 0.000 0.965 419 Y CA -0.431 57.712 58.100 0.071 0.000 1.159 419 Y CB 0.901 39.419 38.460 0.096 0.000 1.157 419 Y HN 0.041 nan 8.280 nan 0.000 0.486 420 E N 3.550 123.682 120.200 -0.114 0.000 2.758 420 E HA 0.265 4.613 4.350 -0.003 0.000 0.215 420 E C 0.118 176.677 176.600 -0.067 0.000 0.985 420 E CA -0.112 56.281 56.400 -0.011 0.000 1.102 420 E CB 0.760 30.452 29.700 -0.012 0.000 1.042 420 E HN 0.631 nan 8.360 nan 0.000 0.480 421 A N 1.459 124.136 122.820 -0.238 0.000 3.019 421 A HA 0.329 4.647 4.320 -0.003 0.000 0.262 421 A C -0.125 177.528 177.584 0.115 0.000 1.509 421 A CA -0.002 51.971 52.037 -0.107 0.000 1.159 421 A CB 0.035 18.892 19.000 -0.240 0.000 1.042 421 A HN 0.095 nan 8.150 nan 0.000 0.641 422 V N -0.047 119.950 119.914 0.139 0.000 2.950 422 V HA 0.428 4.546 4.120 -0.003 0.000 0.295 422 V C -0.992 175.172 176.094 0.116 0.000 1.297 422 V CA -0.937 61.454 62.300 0.150 0.000 0.962 422 V CB 1.928 33.856 31.823 0.176 0.000 1.081 422 V HN 0.727 nan 8.190 nan 0.000 0.432 423 R N 5.265 125.841 120.500 0.128 0.000 2.532 423 R HA 0.587 4.925 4.340 -0.003 0.000 0.272 423 R C -2.584 173.763 176.300 0.078 0.000 1.032 423 R CA -1.680 54.454 56.100 0.057 0.000 1.089 423 R CB 0.794 31.066 30.300 -0.046 0.000 1.098 423 R HN 0.477 nan 8.270 nan 0.000 0.526 424 P HA 0.026 nan 4.420 nan 0.000 0.275 424 P C -0.290 176.983 177.300 -0.045 0.000 1.228 424 P CA -0.166 62.940 63.100 0.011 0.000 0.786 424 P CB 0.628 32.330 31.700 0.004 0.000 0.927 425 D N 1.236 121.656 120.400 0.033 0.000 2.149 425 D HA -0.183 4.456 4.640 -0.003 0.000 0.198 425 D C 1.541 177.814 176.300 -0.044 0.000 0.990 425 D CA 1.401 55.422 54.000 0.035 0.000 0.839 425 D CB -0.075 40.897 40.800 0.286 0.000 0.948 425 D HN 0.562 nan 8.370 nan 0.000 0.460 426 E N 0.192 120.400 120.200 0.013 0.000 2.077 426 E HA -0.150 4.198 4.350 -0.003 0.000 0.193 426 E C 2.015 178.581 176.600 -0.057 0.000 0.989 426 E CA 0.924 57.334 56.400 0.016 0.000 0.800 426 E CB 0.003 29.719 29.700 0.028 0.000 0.746 426 E HN 0.185 nan 8.360 nan 0.000 0.452 427 A N 0.324 123.079 122.820 -0.108 0.000 2.019 427 A HA -0.108 4.210 4.320 -0.003 0.000 0.219 427 A C 2.252 179.705 177.584 -0.219 0.000 1.164 427 A CA 1.008 52.966 52.037 -0.131 0.000 0.644 427 A CB -0.101 18.829 19.000 -0.117 0.000 0.805 427 A HN 0.135 nan 8.150 nan 0.000 0.449 428 V N -2.219 117.455 119.914 -0.401 0.000 2.492 428 V HA -0.083 4.035 4.120 -0.003 0.000 0.241 428 V C 1.976 177.816 176.094 -0.423 0.000 1.041 428 V CA 1.218 63.170 62.300 -0.581 0.000 1.057 428 V CB -0.809 30.295 31.823 -1.198 0.000 0.711 428 V HN 0.617 nan 8.190 nan 0.000 0.468 429 Y N 0.938 121.177 120.300 -0.102 0.000 2.500 429 Y HA 0.524 5.073 4.550 -0.001 0.000 0.270 429 Y C 1.591 177.474 175.900 -0.028 0.000 1.134 429 Y CA 0.063 58.136 58.100 -0.045 0.000 1.293 429 Y CB -0.639 37.813 38.460 -0.015 0.000 1.063 429 Y HN 0.330 nan 8.280 nan 0.000 0.534 430 G N 0.752 109.595 108.800 0.072 0.000 2.698 430 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.233 430 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.233 430 G C -0.658 174.282 174.900 0.067 0.000 1.352 430 G CA -0.300 44.828 45.100 0.048 0.000 0.879 430 G HN 0.271 nan 8.290 nan 0.000 0.567 431 K N -0.492 119.935 120.400 0.045 0.000 2.399 431 K HA 0.840 5.158 4.320 -0.003 0.000 0.260 431 K C 1.273 177.892 176.600 0.031 0.000 1.049 431 K CA 0.317 56.629 56.287 0.042 0.000 0.890 431 K CB 0.335 32.855 32.500 0.034 0.000 1.430 431 K HN 2.207 nan 8.250 nan 0.000 0.459 432 G N 0.840 109.656 108.800 0.025 0.000 2.648 432 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.357 432 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.357 432 G C 0.858 175.767 174.900 0.015 0.000 1.342 432 G CA 1.262 46.372 45.100 0.018 0.000 0.978 432 G HN 1.007 nan 8.290 nan 0.000 0.532 433 A N -0.692 122.135 122.820 0.012 0.000 2.263 433 A HA 0.279 4.598 4.320 -0.003 0.000 0.205 433 A C 1.911 179.503 177.584 0.013 0.000 1.226 433 A CA 2.127 54.170 52.037 0.010 0.000 0.810 433 A CB -0.198 18.806 19.000 0.007 0.000 0.784 433 A HN 0.405 nan 8.150 nan 0.000 0.486 434 K N -0.862 119.549 120.400 0.018 0.000 2.481 434 K HA 0.107 4.426 4.320 -0.003 0.000 0.210 434 K C 0.470 177.091 176.600 0.035 0.000 1.161 434 K CA -0.148 56.152 56.287 0.022 0.000 1.023 434 K CB 0.281 32.792 32.500 0.019 0.000 0.971 434 K HN 0.482 nan 8.250 nan 0.000 0.577 435 R N 2.025 122.547 120.500 0.037 0.000 2.435 435 R HA 0.203 4.542 4.340 -0.003 0.000 0.325 435 R C -0.910 175.416 176.300 0.044 0.000 1.149 435 R CA 0.178 56.310 56.100 0.054 0.000 0.995 435 R CB -0.195 30.128 30.300 0.038 0.000 1.008 435 R HN 0.023 nan 8.270 nan 0.000 0.470 436 A N 3.589 126.454 122.820 0.074 0.000 2.539 436 A HA 0.426 4.744 4.320 -0.003 0.000 0.296 436 A C -0.904 176.755 177.584 0.125 0.000 1.073 436 A CA -0.753 51.321 52.037 0.062 0.000 0.700 436 A CB 1.790 20.817 19.000 0.046 0.000 1.296 436 A HN 0.385 nan 8.150 nan 0.000 0.405 437 V N 3.889 123.858 119.914 0.091 0.000 2.521 437 V HA 0.266 4.384 4.120 -0.003 0.000 0.286 437 V C -1.223 174.954 176.094 0.139 0.000 1.034 437 V CA -0.518 61.876 62.300 0.156 0.000 1.045 437 V CB 0.305 32.176 31.823 0.080 0.000 0.974 437 V HN 0.913 nan 8.190 nan 0.000 0.480 438 P HA 0.228 nan 4.420 nan 0.000 0.286 438 P C -0.582 176.752 177.300 0.056 0.000 1.293 438 P CA -0.612 62.531 63.100 0.072 0.000 0.770 438 P CB 0.700 32.416 31.700 0.026 0.000 1.206 439 D N -0.164 120.251 120.400 0.026 0.000 2.362 439 D HA -0.017 4.622 4.640 -0.003 0.000 0.242 439 D C 1.301 177.602 176.300 0.002 0.000 1.132 439 D CA -0.055 53.956 54.000 0.018 0.000 0.907 439 D CB 0.800 41.604 40.800 0.006 0.000 1.195 439 D HN 0.502 nan 8.370 nan 0.000 0.429 440 E N 1.322 121.522 120.200 -0.000 0.000 2.136 440 E HA -0.229 4.119 4.350 -0.003 0.000 0.208 440 E C -0.944 175.577 176.600 -0.132 0.000 1.035 440 E CA 1.645 58.013 56.400 -0.053 0.000 0.838 440 E CB -0.376 29.316 29.700 -0.012 0.000 0.748 440 E HN 0.276 nan 8.360 nan 0.000 0.459 441 P HA -0.156 nan 4.420 nan 0.000 0.215 441 P C 1.476 178.754 177.300 -0.037 0.000 1.157 441 P CA 1.256 64.331 63.100 -0.041 0.000 0.868 441 P CB 0.051 31.740 31.700 -0.019 0.000 0.788 442 V N -0.622 119.268 119.914 -0.039 0.000 2.358 442 V HA -0.195 3.924 4.120 -0.003 0.000 0.246 442 V C 2.380 178.443 176.094 -0.051 0.000 1.047 442 V CA 1.437 63.712 62.300 -0.040 0.000 1.035 442 V CB -1.235 30.561 31.823 -0.046 0.000 0.658 442 V HN 0.048 nan 8.190 nan 0.000 0.452 443 L N 1.173 122.364 121.223 -0.052 0.000 1.994 443 L HA -0.092 4.246 4.340 -0.003 0.000 0.208 443 L C 2.480 179.269 176.870 -0.135 0.000 1.071 443 L CA 2.490 57.324 54.840 -0.009 0.000 0.745 443 L CB -1.074 41.014 42.059 0.049 0.000 0.892 443 L HN 0.213 nan 8.230 nan 0.000 0.431 444 A N -0.834 121.709 122.820 -0.462 0.000 1.908 444 A HA -0.291 4.028 4.320 -0.003 0.000 0.218 444 A C 2.342 179.548 177.584 -0.630 0.000 1.181 444 A CA 1.929 53.431 52.037 -0.891 0.000 0.627 444 A CB -0.783 17.511 19.000 -1.177 0.000 0.818 444 A HN 0.670 nan 8.150 nan 0.000 0.445 445 E N -1.350 118.664 120.200 -0.309 0.000 2.072 445 E HA -0.264 4.084 4.350 -0.003 0.000 0.191 445 E C 1.912 178.439 176.600 -0.121 0.000 0.985 445 E CA 1.260 57.541 56.400 -0.199 0.000 0.801 445 E CB -0.263 29.484 29.700 0.078 0.000 0.750 445 E HN 0.768 nan 8.360 nan 0.000 0.452 446 H N 0.762 119.740 119.070 -0.153 0.000 2.321 446 H HA -0.080 4.473 4.556 -0.004 0.000 0.300 446 H C 1.991 177.269 175.328 -0.083 0.000 1.087 446 H CA 1.997 57.976 56.048 -0.115 0.000 1.319 446 H CB -0.310 29.363 29.762 -0.149 0.000 1.379 446 H HN 0.164 nan 8.280 nan 0.000 0.501 447 L N -0.614 120.520 121.223 -0.148 0.000 2.131 447 L HA -0.135 4.203 4.340 -0.003 0.000 0.210 447 L C 2.521 179.304 176.870 -0.145 0.000 1.092 447 L CA 0.972 55.733 54.840 -0.132 0.000 0.759 447 L CB -0.421 41.688 42.059 0.084 0.000 0.903 447 L HN 0.215 nan 8.230 nan 0.000 0.435 448 V N -0.200 119.578 119.914 -0.226 0.000 2.427 448 V HA -0.219 3.899 4.120 -0.003 0.000 0.248 448 V C 2.601 178.619 176.094 -0.126 0.000 1.051 448 V CA 1.540 63.698 62.300 -0.237 0.000 1.048 448 V CB -0.521 30.978 31.823 -0.539 0.000 0.666 448 V HN 0.398 nan 8.190 nan 0.000 0.456 449 R N -0.111 120.323 120.500 -0.111 0.000 2.092 449 R HA -0.123 4.215 4.340 -0.003 0.000 0.231 449 R C 2.408 178.686 176.300 -0.037 0.000 1.119 449 R CA 1.289 57.378 56.100 -0.018 0.000 0.970 449 R CB -0.229 30.086 30.300 0.025 0.000 0.864 449 R HN 0.476 nan 8.270 nan 0.000 0.440 450 K N 0.173 120.480 120.400 -0.156 0.000 2.057 450 K HA -0.077 4.242 4.320 -0.003 0.000 0.207 450 K C 2.121 178.678 176.600 -0.071 0.000 1.049 450 K CA 1.385 57.571 56.287 -0.168 0.000 0.931 450 K CB -0.113 32.211 32.500 -0.294 0.000 0.714 450 K HN 0.127 nan 8.250 nan 0.000 0.440 451 A N 1.379 124.174 122.820 -0.040 0.000 1.933 451 A HA -0.110 4.209 4.320 -0.003 0.000 0.218 451 A C 2.337 179.962 177.584 0.069 0.000 1.175 451 A CA 1.815 53.869 52.037 0.029 0.000 0.628 451 A CB -0.652 18.360 19.000 0.020 0.000 0.814 451 A HN 0.338 nan 8.150 nan 0.000 0.444 452 A N -0.174 122.674 122.820 0.046 0.000 1.930 452 A HA 0.192 4.511 4.320 -0.003 0.000 0.217 452 A C 2.480 180.121 177.584 0.094 0.000 1.175 452 A CA 1.957 54.061 52.037 0.111 0.000 0.627 452 A CB -0.920 18.151 19.000 0.119 0.000 0.815 452 A HN 0.999 nan 8.150 nan 0.000 0.443 453 A N -0.022 122.767 122.820 -0.052 0.000 1.898 453 A HA -0.056 4.262 4.320 -0.003 0.000 0.216 453 A C 2.107 179.544 177.584 -0.244 0.000 1.181 453 A CA 1.458 53.243 52.037 -0.420 0.000 0.620 453 A CB -0.593 18.170 19.000 -0.395 0.000 0.819 453 A HN 0.482 nan 8.150 nan 0.000 0.442 454 I N -1.644 118.897 120.570 -0.048 0.000 2.226 454 I HA -0.294 3.874 4.170 -0.003 0.000 0.245 454 I C 2.522 178.699 176.117 0.100 0.000 1.100 454 I CA 1.453 62.787 61.300 0.056 0.000 1.374 454 I CB -0.331 37.760 38.000 0.151 0.000 1.057 454 I HN 0.717 nan 8.210 nan 0.000 0.413 455 W N 2.127 123.397 121.300 -0.050 0.000 2.338 455 W HA -0.291 4.364 4.660 -0.008 0.000 0.304 455 W C 2.389 178.867 176.519 -0.068 0.000 1.212 455 W CA 2.134 59.456 57.345 -0.037 0.000 1.264 455 W CB 0.017 29.476 29.460 -0.002 0.000 1.142 455 W HN 0.197 nan 8.180 nan 0.000 0.512 456 E N 0.549 120.749 120.200 0.001 0.000 2.112 456 E HA -0.144 4.204 4.350 -0.003 0.000 0.190 456 E C 2.220 178.744 176.600 -0.127 0.000 0.979 456 E CA 1.469 57.819 56.400 -0.084 0.000 0.814 456 E CB -0.876 28.842 29.700 0.031 0.000 0.762 456 E HN 0.324 nan 8.360 nan 0.000 0.460 457 L N 0.522 121.660 121.223 -0.142 0.000 2.313 457 L HA 0.048 4.386 4.340 -0.003 0.000 0.214 457 L C 2.525 179.358 176.870 -0.062 0.000 1.119 457 L CA 0.922 55.746 54.840 -0.027 0.000 0.809 457 L CB -0.452 41.568 42.059 -0.066 0.000 0.933 457 L HN 0.279 nan 8.230 nan 0.000 0.449 458 E N 1.002 120.997 120.200 -0.342 0.000 2.065 458 E HA -0.341 4.008 4.350 -0.003 0.000 0.201 458 E C 2.288 178.558 176.600 -0.551 0.000 1.016 458 E CA 1.815 57.685 56.400 -0.884 0.000 0.818 458 E CB 0.070 29.199 29.700 -0.951 0.000 0.749 458 E HN 0.189 nan 8.360 nan 0.000 0.453 459 R N 0.816 121.112 120.500 -0.340 0.000 2.070 459 R HA -0.088 4.250 4.340 -0.003 0.000 0.232 459 R C -0.781 175.469 176.300 -0.083 0.000 1.138 459 R CA 2.317 58.292 56.100 -0.209 0.000 0.936 459 R CB -1.542 28.645 30.300 -0.190 0.000 0.839 459 R HN 0.308 nan 8.270 nan 0.000 0.429 460 P HA -0.146 nan 4.420 nan 0.000 0.216 460 P C 1.177 178.492 177.300 0.023 0.000 1.150 460 P CA 1.316 64.424 63.100 0.014 0.000 0.837 460 P CB -0.204 31.525 31.700 0.049 0.000 0.786 461 F N -0.146 119.791 119.950 -0.020 0.000 2.146 461 F HA -0.061 4.463 4.527 -0.005 0.000 0.298 461 F C 2.644 178.488 175.800 0.074 0.000 1.096 461 F CA 1.134 59.181 58.000 0.080 0.000 1.275 461 F CB -1.325 37.829 39.000 0.257 0.000 1.008 461 F HN -0.256 nan 8.300 nan 0.000 0.480 462 L N -0.482 120.847 121.223 0.176 0.000 2.083 462 L HA -0.233 4.106 4.340 -0.003 0.000 0.209 462 L C 2.020 178.913 176.870 0.038 0.000 1.083 462 L CA 1.163 56.066 54.840 0.104 0.000 0.752 462 L CB -0.640 41.413 42.059 -0.010 0.000 0.899 462 L HN 0.075 nan 8.230 nan 0.000 0.433 463 D N -0.234 120.166 120.400 -0.001 0.000 2.117 463 D HA -0.212 4.426 4.640 -0.003 0.000 0.197 463 D C 2.058 178.341 176.300 -0.028 0.000 0.987 463 D CA 1.130 55.116 54.000 -0.023 0.000 0.829 463 D CB 0.035 40.813 40.800 -0.037 0.000 0.961 463 D HN 0.346 nan 8.370 nan 0.000 0.460 464 E N 0.133 120.305 120.200 -0.046 0.000 2.106 464 E HA -0.098 4.251 4.350 -0.003 0.000 0.192 464 E C 2.329 178.907 176.600 -0.037 0.000 0.984 464 E CA 0.287 56.648 56.400 -0.066 0.000 0.806 464 E CB -0.011 29.610 29.700 -0.132 0.000 0.750 464 E HN 0.194 nan 8.360 nan 0.000 0.458 465 L N 0.332 121.557 121.223 0.002 0.000 2.042 465 L HA -0.208 4.131 4.340 -0.003 0.000 0.210 465 L C 2.809 179.677 176.870 -0.003 0.000 1.076 465 L CA 1.339 56.192 54.840 0.022 0.000 0.749 465 L CB -0.336 41.775 42.059 0.086 0.000 0.893 465 L HN 0.072 nan 8.230 nan 0.000 0.432 466 R N 0.275 120.773 120.500 -0.002 0.000 2.081 466 R HA -0.172 4.166 4.340 -0.003 0.000 0.235 466 R C 2.356 178.635 176.300 -0.036 0.000 1.131 466 R CA 1.436 57.525 56.100 -0.019 0.000 0.960 466 R CB -0.256 30.035 30.300 -0.014 0.000 0.856 466 R HN 0.090 nan 8.270 nan 0.000 0.436 467 R N -0.125 120.354 120.500 -0.034 0.000 2.105 467 R HA -0.037 4.301 4.340 -0.003 0.000 0.239 467 R C 1.059 177.331 176.300 -0.047 0.000 1.135 467 R CA 1.798 57.876 56.100 -0.037 0.000 0.967 467 R CB -0.133 30.145 30.300 -0.036 0.000 0.861 467 R HN 0.248 nan 8.270 nan 0.000 0.442 468 N N 0.761 119.427 118.700 -0.057 0.000 2.461 468 N HA -0.043 4.696 4.740 -0.003 0.000 0.188 468 N C -0.620 174.832 175.510 -0.097 0.000 1.134 468 N CA 0.484 53.487 53.050 -0.078 0.000 0.878 468 N CB 0.394 38.829 38.487 -0.087 0.000 0.972 468 N HN 0.215 nan 8.380 nan 0.000 0.456 469 E N -0.659 119.477 120.200 -0.107 0.000 2.637 469 E HA -0.267 4.082 4.350 -0.003 0.000 0.265 469 E C -0.159 176.346 176.600 -0.158 0.000 1.073 469 E CA 0.308 56.597 56.400 -0.185 0.000 0.778 469 E CB -1.342 28.148 29.700 -0.350 0.000 1.362 469 E HN 0.509 nan 8.360 nan 0.000 0.413 470 Q N -0.595 119.171 119.800 -0.056 0.000 2.194 470 Q HA -0.013 4.325 4.340 -0.003 0.000 0.214 470 Q C 1.381 177.396 176.000 0.025 0.000 0.838 470 Q CA 0.290 56.095 55.803 0.004 0.000 0.972 470 Q CB 0.491 29.233 28.738 0.008 0.000 1.131 470 Q HN 0.387 nan 8.270 nan 0.000 0.498 471 D N 1.138 121.547 120.400 0.014 0.000 2.097 471 D HA -0.225 4.413 4.640 -0.003 0.000 0.195 471 D C 1.513 177.836 176.300 0.039 0.000 0.989 471 D CA 1.051 55.072 54.000 0.034 0.000 0.827 471 D CB -0.127 40.685 40.800 0.021 0.000 0.966 471 D HN 0.167 nan 8.370 nan 0.000 0.456 472 R N 0.122 120.641 120.500 0.031 0.000 2.148 472 R HA 0.095 4.433 4.340 -0.003 0.000 0.227 472 R C 2.677 179.004 176.300 0.045 0.000 1.103 472 R CA 0.123 56.245 56.100 0.037 0.000 0.983 472 R CB -0.299 30.026 30.300 0.041 0.000 0.874 472 R HN 0.240 nan 8.270 nan 0.000 0.451 473 L N 0.872 122.129 121.223 0.057 0.000 2.012 473 L HA -0.220 4.118 4.340 -0.003 0.000 0.210 473 L C 2.246 179.140 176.870 0.040 0.000 1.073 473 L CA 1.309 56.182 54.840 0.055 0.000 0.748 473 L CB -0.176 41.921 42.059 0.062 0.000 0.891 473 L HN 0.220 nan 8.230 nan 0.000 0.431 474 L N -0.969 120.280 121.223 0.043 0.000 2.007 474 L HA -0.128 4.211 4.340 -0.003 0.000 0.205 474 L C 2.258 179.140 176.870 0.020 0.000 1.073 474 L CA 1.633 56.493 54.840 0.033 0.000 0.744 474 L CB -0.460 41.629 42.059 0.050 0.000 0.898 474 L HN -0.043 nan 8.230 nan 0.000 0.435 475 V N -0.308 119.626 119.914 0.033 0.000 2.427 475 V HA -0.205 3.913 4.120 -0.003 0.000 0.248 475 V C 2.273 178.374 176.094 0.012 0.000 1.051 475 V CA 2.045 64.360 62.300 0.025 0.000 1.048 475 V CB -0.591 31.254 31.823 0.036 0.000 0.666 475 V HN 0.517 nan 8.190 nan 0.000 0.456 476 E N -1.266 118.943 120.200 0.015 0.000 2.431 476 E HA 0.101 4.450 4.350 -0.003 0.000 0.200 476 E C 1.586 178.189 176.600 0.004 0.000 0.995 476 E CA 0.181 56.586 56.400 0.008 0.000 0.915 476 E CB 0.603 30.311 29.700 0.013 0.000 0.930 476 E HN 0.429 nan 8.360 nan 0.000 0.496 477 L N 0.254 121.482 121.223 0.008 0.000 2.783 477 L HA 0.105 4.443 4.340 -0.003 0.000 0.174 477 L C 1.819 178.690 176.870 0.001 0.000 1.235 477 L CA 0.618 55.461 54.840 0.005 0.000 0.862 477 L CB 0.126 42.192 42.059 0.012 0.000 1.249 477 L HN -0.212 nan 8.230 nan 0.000 0.518 478 E N 0.160 120.366 120.200 0.010 0.000 2.058 478 E HA -0.271 4.078 4.350 -0.003 0.000 0.194 478 E C 2.042 178.627 176.600 -0.026 0.000 0.997 478 E CA 1.718 58.121 56.400 0.005 0.000 0.801 478 E CB -0.328 29.391 29.700 0.033 0.000 0.746 478 E HN 0.604 nan 8.360 nan 0.000 0.450 479 Q N -0.356 119.423 119.800 -0.035 0.000 2.084 479 Q HA -0.099 4.239 4.340 -0.003 0.000 0.202 479 Q C -0.535 175.437 176.000 -0.047 0.000 0.978 479 Q CA 1.424 57.193 55.803 -0.056 0.000 0.844 479 Q CB -0.810 27.894 28.738 -0.056 0.000 0.898 479 Q HN 0.245 nan 8.270 nan 0.000 0.426 480 P HA -0.147 nan 4.420 nan 0.000 0.217 480 P C 1.232 178.513 177.300 -0.033 0.000 1.151 480 P CA 0.808 63.889 63.100 -0.032 0.000 0.828 480 P CB 0.017 31.703 31.700 -0.023 0.000 0.788 481 L N -0.569 120.635 121.223 -0.031 0.000 2.131 481 L HA -0.102 4.237 4.340 -0.003 0.000 0.210 481 L C 2.352 179.200 176.870 -0.037 0.000 1.092 481 L CA 1.842 56.661 54.840 -0.035 0.000 0.759 481 L CB -1.506 40.533 42.059 -0.034 0.000 0.903 481 L HN -0.101 nan 8.230 nan 0.000 0.435 482 S N -1.291 114.385 115.700 -0.041 0.000 2.370 482 S HA -0.208 4.260 4.470 -0.003 0.000 0.226 482 S C 2.092 176.675 174.600 -0.029 0.000 1.033 482 S CA 1.760 59.935 58.200 -0.042 0.000 1.011 482 S CB -0.381 62.776 63.200 -0.071 0.000 0.852 482 S HN 0.677 nan 8.310 nan 0.000 0.457 483 S N 1.107 116.784 115.700 -0.039 0.000 2.383 483 S HA 0.064 4.532 4.470 -0.003 0.000 0.227 483 S C 1.744 176.337 174.600 -0.012 0.000 1.026 483 S CA 1.281 59.459 58.200 -0.036 0.000 0.981 483 S CB -0.388 62.783 63.200 -0.048 0.000 0.818 483 S HN 0.534 nan 8.310 nan 0.000 0.472 484 I N 1.365 121.928 120.570 -0.012 0.000 2.202 484 I HA -0.162 4.006 4.170 -0.003 0.000 0.242 484 I C 2.015 178.149 176.117 0.028 0.000 1.091 484 I CA 1.077 62.377 61.300 -0.001 0.000 1.368 484 I CB -0.393 37.596 38.000 -0.018 0.000 1.058 484 I HN 0.230 nan 8.210 nan 0.000 0.410 485 L N 0.586 121.823 121.223 0.024 0.000 2.083 485 L HA -0.206 4.132 4.340 -0.003 0.000 0.209 485 L C 2.853 179.851 176.870 0.213 0.000 1.083 485 L CA 1.270 56.167 54.840 0.096 0.000 0.752 485 L CB -0.758 41.350 42.059 0.081 0.000 0.899 485 L HN 0.248 nan 8.230 nan 0.000 0.433 486 A N 0.019 122.922 122.820 0.139 0.000 1.933 486 A HA -0.214 4.104 4.320 -0.003 0.000 0.218 486 A C 2.172 179.871 177.584 0.191 0.000 1.175 486 A CA 1.647 53.776 52.037 0.154 0.000 0.628 486 A CB -0.371 18.648 19.000 0.032 0.000 0.814 486 A HN 0.470 nan 8.150 nan 0.000 0.444 487 E N -0.730 119.546 120.200 0.126 0.000 2.072 487 E HA -0.156 4.193 4.350 -0.003 0.000 0.191 487 E C 2.079 178.779 176.600 0.167 0.000 0.985 487 E CA 1.370 57.847 56.400 0.128 0.000 0.801 487 E CB -0.268 29.463 29.700 0.051 0.000 0.750 487 E HN 0.662 nan 8.360 nan 0.000 0.452 488 M N 0.660 120.366 119.600 0.176 0.000 2.086 488 M HA -0.185 4.293 4.480 -0.003 0.000 0.261 488 M C 2.081 178.547 176.300 0.276 0.000 1.067 488 M CA 1.580 57.003 55.300 0.206 0.000 1.116 488 M CB -0.152 32.600 32.600 0.253 0.000 1.348 488 M HN 0.043 nan 8.290 nan 0.000 0.407 489 E N -0.220 120.218 120.200 0.396 0.000 2.051 489 E HA -0.213 4.136 4.350 -0.003 0.000 0.192 489 E C 1.825 178.751 176.600 0.544 0.000 0.991 489 E CA 1.337 58.014 56.400 0.462 0.000 0.799 489 E CB -0.299 29.765 29.700 0.607 0.000 0.748 489 E HN 0.388 nan 8.360 nan 0.000 0.449 490 F N 1.601 121.753 119.950 0.335 0.000 2.134 490 F HA -0.166 4.359 4.527 -0.002 0.000 0.299 490 F C 2.196 178.051 175.800 0.091 0.000 1.097 490 F CA 1.371 59.466 58.000 0.157 0.000 1.264 490 F CB -0.441 38.523 39.000 -0.060 0.000 1.001 490 F HN -0.057 nan 8.300 nan 0.000 0.479 491 A N 0.220 123.008 122.820 -0.052 0.000 1.902 491 A HA 0.262 4.581 4.320 -0.003 0.000 0.217 491 A C 1.727 179.176 177.584 -0.226 0.000 1.181 491 A CA 1.349 53.249 52.037 -0.229 0.000 0.623 491 A CB -1.566 17.302 19.000 -0.221 0.000 0.818 491 A HN 1.039 nan 8.150 nan 0.000 0.443 492 G N -2.498 106.184 108.800 -0.197 0.000 2.877 492 G HA2 0.001 3.959 3.960 -0.003 0.000 0.279 492 G HA3 0.001 3.959 3.960 -0.003 0.000 0.279 492 G C -0.457 174.295 174.900 -0.246 0.000 1.431 492 G CA -0.290 44.529 45.100 -0.467 0.000 0.883 492 G HN 1.173 nan 8.290 nan 0.000 0.547 493 V N 0.576 120.357 119.914 -0.222 0.000 2.487 493 V HA 0.577 4.696 4.120 -0.003 0.000 0.298 493 V C 0.433 176.468 176.094 -0.098 0.000 1.028 493 V CA -0.717 61.545 62.300 -0.064 0.000 0.860 493 V CB 1.706 33.581 31.823 0.087 0.000 0.991 493 V HN 1.005 nan 8.190 nan 0.000 0.427 494 K N 3.450 123.807 120.400 -0.072 0.000 2.401 494 K HA 0.447 4.765 4.320 -0.003 0.000 0.278 494 K C -0.896 175.625 176.600 -0.131 0.000 1.018 494 K CA 0.177 56.407 56.287 -0.095 0.000 0.981 494 K CB 0.954 33.414 32.500 -0.066 0.000 0.933 494 K HN 0.459 nan 8.250 nan 0.000 0.477 495 V N 3.904 123.710 119.914 -0.179 0.000 2.540 495 V HA 0.161 4.280 4.120 -0.003 0.000 0.302 495 V C -0.671 175.325 176.094 -0.164 0.000 1.035 495 V CA -0.938 61.199 62.300 -0.272 0.000 0.873 495 V CB 1.709 33.325 31.823 -0.344 0.000 0.992 495 V HN 0.815 nan 8.190 nan 0.000 0.428 496 D N 3.325 123.639 120.400 -0.142 0.000 2.508 496 D HA 0.058 4.696 4.640 -0.003 0.000 0.224 496 D C 1.558 177.807 176.300 -0.085 0.000 1.171 496 D CA 0.361 54.312 54.000 -0.081 0.000 1.006 496 D CB 1.120 41.892 40.800 -0.046 0.000 1.073 496 D HN 0.777 nan 8.370 nan 0.000 0.513 497 T N 0.848 115.354 114.554 -0.080 0.000 2.788 497 T HA -0.178 4.170 4.350 -0.003 0.000 0.268 497 T C 1.701 176.374 174.700 -0.045 0.000 1.044 497 T CA 0.676 62.737 62.100 -0.066 0.000 1.139 497 T CB 0.086 68.921 68.868 -0.055 0.000 0.867 497 T HN 0.128 nan 8.240 nan 0.000 0.454 498 K N 1.253 121.630 120.400 -0.038 0.000 2.032 498 K HA -0.038 4.280 4.320 -0.003 0.000 0.209 498 K C 2.527 179.110 176.600 -0.028 0.000 1.048 498 K CA 1.583 57.853 56.287 -0.028 0.000 0.927 498 K CB -0.479 32.007 32.500 -0.024 0.000 0.712 498 K HN 0.460 nan 8.250 nan 0.000 0.441 499 R N 0.684 121.165 120.500 -0.031 0.000 2.096 499 R HA -0.104 4.234 4.340 -0.003 0.000 0.235 499 R C 2.263 178.547 176.300 -0.028 0.000 1.127 499 R CA 0.915 56.997 56.100 -0.030 0.000 0.968 499 R CB -0.281 30.000 30.300 -0.031 0.000 0.861 499 R HN -0.011 nan 8.270 nan 0.000 0.440 500 L N 1.318 122.522 121.223 -0.032 0.000 2.083 500 L HA -0.105 4.233 4.340 -0.003 0.000 0.209 500 L C 1.766 178.628 176.870 -0.014 0.000 1.083 500 L CA 1.819 56.646 54.840 -0.021 0.000 0.752 500 L CB -0.419 41.620 42.059 -0.033 0.000 0.899 500 L HN 0.263 nan 8.230 nan 0.000 0.433 501 E N -1.569 118.619 120.200 -0.019 0.000 2.152 501 E HA -0.262 4.086 4.350 -0.003 0.000 0.192 501 E C 2.026 178.618 176.600 -0.014 0.000 0.983 501 E CA 0.849 57.240 56.400 -0.016 0.000 0.818 501 E CB -0.034 29.655 29.700 -0.017 0.000 0.758 501 E HN 0.397 nan 8.360 nan 0.000 0.467 502 Q N 0.983 120.773 119.800 -0.017 0.000 2.046 502 Q HA -0.112 4.227 4.340 -0.003 0.000 0.200 502 Q C 1.996 177.986 176.000 -0.016 0.000 0.975 502 Q CA 1.618 57.412 55.803 -0.016 0.000 0.836 502 Q CB -0.110 28.616 28.738 -0.019 0.000 0.896 502 Q HN 0.243 nan 8.270 nan 0.000 0.428 503 M N -0.750 118.839 119.600 -0.017 0.000 2.149 503 M HA -0.112 4.366 4.480 -0.003 0.000 0.261 503 M C 2.060 178.352 176.300 -0.012 0.000 1.064 503 M CA 1.630 56.921 55.300 -0.016 0.000 1.102 503 M CB -0.674 31.918 32.600 -0.013 0.000 1.369 503 M HN 0.444 nan 8.290 nan 0.000 0.408 504 G N 0.567 109.361 108.800 -0.009 0.000 2.422 504 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.218 504 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.218 504 G C 1.627 176.519 174.900 -0.013 0.000 1.146 504 G CA 0.804 45.898 45.100 -0.010 0.000 0.769 504 G HN 0.414 nan 8.290 nan 0.000 0.547 505 K N 0.305 120.698 120.400 -0.012 0.000 2.057 505 K HA -0.047 4.272 4.320 -0.003 0.000 0.206 505 K C 2.433 179.027 176.600 -0.010 0.000 1.050 505 K CA 1.273 57.554 56.287 -0.010 0.000 0.935 505 K CB -0.136 32.359 32.500 -0.009 0.000 0.715 505 K HN 0.382 nan 8.250 nan 0.000 0.439 506 E N 0.834 121.027 120.200 -0.011 0.000 2.150 506 E HA -0.138 4.211 4.350 -0.003 0.000 0.193 506 E C 2.037 178.629 176.600 -0.014 0.000 0.985 506 E CA 0.744 57.138 56.400 -0.010 0.000 0.814 506 E CB -0.007 29.686 29.700 -0.011 0.000 0.752 506 E HN 0.229 nan 8.360 nan 0.000 0.466 507 L N 0.440 121.649 121.223 -0.023 0.000 2.072 507 L HA -0.115 4.223 4.340 -0.003 0.000 0.205 507 L C 2.593 179.437 176.870 -0.043 0.000 1.079 507 L CA 0.810 55.626 54.840 -0.041 0.000 0.752 507 L CB -0.419 41.612 42.059 -0.046 0.000 0.906 507 L HN 0.139 nan 8.230 nan 0.000 0.436 508 A N 0.198 123.001 122.820 -0.028 0.000 1.908 508 A HA -0.247 4.072 4.320 -0.003 0.000 0.218 508 A C 2.126 179.705 177.584 -0.007 0.000 1.181 508 A CA 1.864 53.890 52.037 -0.019 0.000 0.627 508 A CB -0.473 18.521 19.000 -0.010 0.000 0.818 508 A HN 0.479 nan 8.150 nan 0.000 0.445 509 E N -0.385 119.813 120.200 -0.004 0.000 2.031 509 E HA -0.253 4.095 4.350 -0.003 0.000 0.193 509 E C 2.324 178.929 176.600 0.009 0.000 0.994 509 E CA 1.487 57.890 56.400 0.005 0.000 0.800 509 E CB -0.307 29.397 29.700 0.005 0.000 0.752 509 E HN 0.745 nan 8.360 nan 0.000 0.447 510 Q N 0.578 120.379 119.800 0.001 0.000 2.096 510 Q HA -0.169 4.169 4.340 -0.003 0.000 0.204 510 Q C 2.419 178.417 176.000 -0.003 0.000 0.982 510 Q CA 1.134 56.941 55.803 0.007 0.000 0.850 510 Q CB -0.204 28.528 28.738 -0.009 0.000 0.901 510 Q HN 0.302 nan 8.270 nan 0.000 0.422 511 L N -0.119 121.089 121.223 -0.026 0.000 2.083 511 L HA -0.157 4.181 4.340 -0.003 0.000 0.209 511 L C 2.401 179.312 176.870 0.069 0.000 1.083 511 L CA 1.158 56.003 54.840 0.008 0.000 0.752 511 L CB -0.764 41.273 42.059 -0.036 0.000 0.899 511 L HN 0.353 nan 8.230 nan 0.000 0.433 512 G N -1.040 107.783 108.800 0.039 0.000 2.418 512 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.217 512 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.217 512 G C 1.571 176.486 174.900 0.025 0.000 1.158 512 G CA 1.245 46.367 45.100 0.037 0.000 0.771 512 G HN 0.271 nan 8.290 nan 0.000 0.545 513 T N 0.923 115.494 114.554 0.028 0.000 2.643 513 T HA -0.119 4.230 4.350 -0.003 0.000 0.264 513 T C 2.579 177.290 174.700 0.018 0.000 1.045 513 T CA 1.412 63.529 62.100 0.028 0.000 1.155 513 T CB -0.400 68.491 68.868 0.040 0.000 0.863 513 T HN 0.044 nan 8.240 nan 0.000 0.420 514 V N 1.488 121.427 119.914 0.041 0.000 2.392 514 V HA -0.185 3.933 4.120 -0.003 0.000 0.249 514 V C 2.482 178.519 176.094 -0.096 0.000 1.059 514 V CA 1.778 64.103 62.300 0.043 0.000 1.051 514 V CB -0.639 31.261 31.823 0.127 0.000 0.658 514 V HN 0.540 nan 8.190 nan 0.000 0.455 515 E N -0.196 119.922 120.200 -0.136 0.000 2.023 515 E HA -0.266 4.082 4.350 -0.003 0.000 0.196 515 E C 2.387 178.651 176.600 -0.560 0.000 1.003 515 E CA 1.466 57.596 56.400 -0.450 0.000 0.809 515 E CB -0.044 29.514 29.700 -0.238 0.000 0.755 515 E HN 0.533 nan 8.360 nan 0.000 0.449 516 Q N 0.282 119.971 119.800 -0.185 0.000 2.096 516 Q HA -0.197 4.142 4.340 -0.003 0.000 0.204 516 Q C 2.196 178.177 176.000 -0.032 0.000 0.982 516 Q CA 1.298 57.094 55.803 -0.012 0.000 0.850 516 Q CB -0.521 28.251 28.738 0.057 0.000 0.901 516 Q HN 0.098 nan 8.270 nan 0.000 0.422 517 R N 1.079 121.544 120.500 -0.058 0.000 2.083 517 R HA -0.062 4.277 4.340 -0.003 0.000 0.237 517 R C 2.180 178.459 176.300 -0.036 0.000 1.137 517 R CA 1.294 57.382 56.100 -0.019 0.000 0.951 517 R CB -0.748 29.550 30.300 -0.003 0.000 0.851 517 R HN 0.302 nan 8.270 nan 0.000 0.434 518 I N -0.295 120.180 120.570 -0.159 0.000 2.208 518 I HA -0.313 3.856 4.170 -0.003 0.000 0.245 518 I C 1.672 177.785 176.117 -0.006 0.000 1.097 518 I CA 1.337 62.541 61.300 -0.160 0.000 1.363 518 I CB -0.378 37.376 38.000 -0.409 0.000 1.051 518 I HN 0.179 nan 8.210 nan 0.000 0.413 519 Y N 1.044 121.358 120.300 0.024 0.000 2.242 519 Y HA -0.229 4.319 4.550 -0.003 0.000 0.291 519 Y C 2.607 178.551 175.900 0.074 0.000 1.137 519 Y CA 1.281 59.430 58.100 0.082 0.000 1.181 519 Y CB -0.890 37.580 38.460 0.017 0.000 0.989 519 Y HN 0.381 nan 8.280 nan 0.000 0.527 520 E N 0.140 120.455 120.200 0.192 0.000 2.152 520 E HA -0.131 4.217 4.350 -0.003 0.000 0.192 520 E C 1.650 178.318 176.600 0.113 0.000 0.983 520 E CA 1.072 57.549 56.400 0.127 0.000 0.818 520 E CB -0.571 29.183 29.700 0.089 0.000 0.758 520 E HN 0.454 nan 8.360 nan 0.000 0.467 521 L N 0.297 121.591 121.223 0.118 0.000 2.395 521 L HA 0.086 4.424 4.340 -0.003 0.000 0.218 521 L C 2.310 179.244 176.870 0.108 0.000 1.130 521 L CA 0.684 55.612 54.840 0.146 0.000 0.826 521 L CB -0.054 42.108 42.059 0.172 0.000 0.941 521 L HN 0.281 nan 8.230 nan 0.000 0.451 522 A N -0.890 121.987 122.820 0.095 0.000 2.252 522 A HA 0.373 4.691 4.320 -0.003 0.000 0.213 522 A C 1.718 179.316 177.584 0.022 0.000 1.188 522 A CA 0.635 52.680 52.037 0.013 0.000 0.863 522 A CB 0.074 19.106 19.000 0.055 0.000 0.893 522 A HN 0.407 nan 8.150 nan 0.000 0.495 523 G N -0.586 108.259 108.800 0.075 0.000 2.143 523 G HA2 -0.215 3.744 3.960 -0.003 0.000 0.248 523 G HA3 -0.215 3.744 3.960 -0.003 0.000 0.248 523 G C -0.057 174.872 174.900 0.048 0.000 0.991 523 G CA 1.005 46.136 45.100 0.051 0.000 0.689 523 G HN 1.632 nan 8.290 nan 0.000 0.522 524 Q N -2.264 117.594 119.800 0.097 0.000 2.900 524 Q HA 0.575 4.913 4.340 -0.003 0.000 0.297 524 Q C -1.265 174.826 176.000 0.152 0.000 0.889 524 Q CA -1.029 54.816 55.803 0.070 0.000 0.777 524 Q CB 0.520 29.272 28.738 0.022 0.000 1.518 524 Q HN 0.253 nan 8.270 nan 0.000 0.430 525 E N 0.413 120.568 120.200 -0.075 0.000 2.250 525 E HA 0.740 5.088 4.350 -0.003 0.000 0.269 525 E C -0.981 175.677 176.600 0.098 0.000 1.018 525 E CA -0.524 55.602 56.400 -0.458 0.000 0.873 525 E CB 1.104 30.311 29.700 -0.821 0.000 1.134 525 E HN 0.451 nan 8.360 nan 0.000 0.403 526 F N -1.142 118.732 119.950 -0.127 0.000 2.799 526 F HA 0.272 4.797 4.527 -0.003 0.000 0.316 526 F C -1.222 174.655 175.800 0.128 0.000 1.155 526 F CA -1.395 56.619 58.000 0.023 0.000 0.916 526 F CB 0.523 39.549 39.000 0.043 0.000 1.294 526 F HN 0.159 nan 8.300 nan 0.000 0.447 527 N N 2.330 121.070 118.700 0.067 0.000 2.402 527 N HA 0.237 4.976 4.740 -0.003 0.000 0.259 527 N C 0.969 176.434 175.510 -0.074 0.000 1.167 527 N CA 0.015 53.051 53.050 -0.024 0.000 0.949 527 N CB 0.357 38.879 38.487 0.057 0.000 1.212 527 N HN 0.793 nan 8.380 nan 0.000 0.493 528 I N 2.381 122.736 120.570 -0.358 0.000 2.423 528 I HA -0.288 3.880 4.170 -0.003 0.000 0.254 528 I C 0.759 176.892 176.117 0.027 0.000 1.151 528 I CA 0.972 62.090 61.300 -0.304 0.000 1.421 528 I CB -0.157 37.442 38.000 -0.668 0.000 1.079 528 I HN 0.413 nan 8.210 nan 0.000 0.431 529 N N -0.027 118.719 118.700 0.076 0.000 2.461 529 N HA -0.040 4.698 4.740 -0.003 0.000 0.188 529 N C 0.519 176.092 175.510 0.105 0.000 1.134 529 N CA 0.135 53.257 53.050 0.121 0.000 0.878 529 N CB 0.176 38.732 38.487 0.114 0.000 0.972 529 N HN 0.034 nan 8.380 nan 0.000 0.456 530 S N 1.617 117.388 115.700 0.117 0.000 2.543 530 S HA 0.224 4.692 4.470 -0.003 0.000 0.299 530 S C -1.586 173.106 174.600 0.153 0.000 1.125 530 S CA -1.889 56.385 58.200 0.125 0.000 1.098 530 S CB 0.449 63.727 63.200 0.130 0.000 1.063 530 S HN 0.040 nan 8.310 nan 0.000 0.493 531 P HA -0.198 nan 4.420 nan 0.000 0.219 531 P C 1.102 178.513 177.300 0.185 0.000 1.144 531 P CA 0.976 64.173 63.100 0.161 0.000 0.806 531 P CB 0.239 32.022 31.700 0.138 0.000 0.771 532 K N 0.357 120.850 120.400 0.154 0.000 2.007 532 K HA -0.125 4.194 4.320 -0.003 0.000 0.206 532 K C 2.363 179.066 176.600 0.171 0.000 1.047 532 K CA 1.142 57.519 56.287 0.151 0.000 0.937 532 K CB -0.219 32.340 32.500 0.099 0.000 0.718 532 K HN 0.056 nan 8.250 nan 0.000 0.438 533 Q N 0.530 120.428 119.800 0.163 0.000 2.079 533 Q HA -0.163 4.175 4.340 -0.003 0.000 0.200 533 Q C 2.176 178.250 176.000 0.124 0.000 0.974 533 Q CA 1.234 57.134 55.803 0.162 0.000 0.840 533 Q CB -0.132 28.755 28.738 0.247 0.000 0.898 533 Q HN 0.233 nan 8.270 nan 0.000 0.430 534 L N 0.637 121.986 121.223 0.210 0.000 2.046 534 L HA -0.074 4.264 4.340 -0.003 0.000 0.208 534 L C 2.109 178.964 176.870 -0.024 0.000 1.077 534 L CA 2.290 57.219 54.840 0.149 0.000 0.747 534 L CB -1.047 41.142 42.059 0.216 0.000 0.896 534 L HN 0.187 nan 8.230 nan 0.000 0.432 535 G N -1.242 107.639 108.800 0.135 0.000 2.450 535 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.220 535 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.220 535 G C 1.523 176.438 174.900 0.025 0.000 1.130 535 G CA 1.052 46.296 45.100 0.240 0.000 0.760 535 G HN 0.356 nan 8.290 nan 0.000 0.557 536 V N 1.287 121.249 119.914 0.081 0.000 2.358 536 V HA -0.102 4.017 4.120 -0.003 0.000 0.246 536 V C 2.749 178.729 176.094 -0.189 0.000 1.047 536 V CA 0.972 63.278 62.300 0.011 0.000 1.035 536 V CB -0.246 31.595 31.823 0.030 0.000 0.658 536 V HN 0.272 nan 8.190 nan 0.000 0.452 537 I N -0.362 120.010 120.570 -0.330 0.000 2.252 537 I HA -0.166 4.002 4.170 -0.003 0.000 0.245 537 I C 2.281 178.126 176.117 -0.454 0.000 1.102 537 I CA 1.768 62.785 61.300 -0.471 0.000 1.385 537 I CB -0.860 36.644 38.000 -0.826 0.000 1.064 537 I HN 0.277 nan 8.210 nan 0.000 0.414 538 L N -0.738 120.150 121.223 -0.559 0.000 2.068 538 L HA -0.128 4.210 4.340 -0.003 0.000 0.204 538 L C 2.168 178.550 176.870 -0.813 0.000 1.076 538 L CA 1.266 55.641 54.840 -0.774 0.000 0.753 538 L CB -0.570 40.811 42.059 -1.129 0.000 0.910 538 L HN 0.072 nan 8.230 nan 0.000 0.439 539 F N -0.790 118.917 119.950 -0.405 0.000 2.776 539 F HA 0.104 4.629 4.527 -0.003 0.000 0.300 539 F C 2.041 177.630 175.800 -0.353 0.000 1.116 539 F CA 0.129 57.839 58.000 -0.485 0.000 1.375 539 F CB -0.105 38.328 39.000 -0.946 0.000 1.109 539 F HN 0.039 nan 8.300 nan 0.000 0.585 540 E N -0.150 119.953 120.200 -0.162 0.000 2.419 540 E HA 0.021 4.369 4.350 -0.003 0.000 0.197 540 E C 1.847 178.392 176.600 -0.093 0.000 0.920 540 E CA -0.024 56.330 56.400 -0.075 0.000 1.085 540 E CB 0.192 29.881 29.700 -0.018 0.000 1.084 540 E HN 0.091 nan 8.360 nan 0.000 0.490 541 K N 1.157 121.474 120.400 -0.138 0.000 2.001 541 K HA -0.011 4.307 4.320 -0.003 0.000 0.208 541 K C 1.858 178.381 176.600 -0.128 0.000 1.048 541 K CA 0.985 57.194 56.287 -0.130 0.000 0.932 541 K CB 0.089 32.487 32.500 -0.171 0.000 0.715 541 K HN 0.039 nan 8.250 nan 0.000 0.437 542 L N 0.806 121.916 121.223 -0.189 0.000 2.591 542 L HA 0.049 4.387 4.340 -0.003 0.000 0.228 542 L C 0.266 177.069 176.870 -0.111 0.000 1.133 542 L CA 0.043 54.785 54.840 -0.164 0.000 0.880 542 L CB 0.073 41.951 42.059 -0.302 0.000 1.033 542 L HN 0.316 nan 8.230 nan 0.000 0.450 543 Q N 0.045 119.778 119.800 -0.113 0.000 2.450 543 Q HA -0.207 4.131 4.340 -0.003 0.000 0.255 543 Q C 0.137 176.089 176.000 -0.079 0.000 1.003 543 Q CA 0.886 56.646 55.803 -0.072 0.000 1.097 543 Q CB -2.047 26.666 28.738 -0.042 0.000 1.544 543 Q HN 0.502 nan 8.270 nan 0.000 0.531 544 L N 1.961 123.114 121.223 -0.117 0.000 2.483 544 L HA 0.103 4.441 4.340 -0.003 0.000 0.275 544 L C -1.231 175.639 176.870 -0.000 0.000 1.220 544 L CA -1.108 53.656 54.840 -0.127 0.000 0.833 544 L CB -0.299 41.658 42.059 -0.170 0.000 1.102 544 L HN -0.074 nan 8.230 nan 0.000 0.490 545 P HA 0.042 nan 4.420 nan 0.000 0.271 545 P C -0.701 176.595 177.300 -0.007 0.000 1.216 545 P CA -0.233 62.808 63.100 -0.098 0.000 0.771 545 P CB 1.025 32.589 31.700 -0.227 0.000 0.864 546 V N 5.551 125.388 119.914 -0.129 0.000 2.339 546 V HA 0.065 4.184 4.120 -0.003 0.000 0.261 546 V C 1.614 177.611 176.094 -0.161 0.000 1.058 546 V CA 0.150 62.248 62.300 -0.337 0.000 0.897 546 V CB -0.005 31.606 31.823 -0.354 0.000 1.052 546 V HN 0.481 nan 8.190 nan 0.000 0.480 547 L N 3.387 124.549 121.223 -0.102 0.000 2.554 547 L HA 0.358 4.696 4.340 -0.003 0.000 0.225 547 L C 0.856 177.713 176.870 -0.021 0.000 1.104 547 L CA 0.461 55.285 54.840 -0.027 0.000 0.866 547 L CB 0.074 42.151 42.059 0.030 0.000 1.047 547 L HN 0.546 nan 8.230 nan 0.000 0.468 548 K N 0.812 121.178 120.400 -0.057 0.000 2.557 548 K HA 0.353 4.671 4.320 -0.003 0.000 0.257 548 K C -1.480 175.090 176.600 -0.051 0.000 0.933 548 K CA -0.638 55.636 56.287 -0.022 0.000 0.820 548 K CB 2.488 35.002 32.500 0.024 0.000 1.330 548 K HN -0.227 nan 8.250 nan 0.000 0.432 549 K N 1.701 122.086 120.400 -0.024 0.000 2.328 549 K HA 0.421 4.740 4.320 -0.003 0.000 0.246 549 K C -1.353 175.247 176.600 0.000 0.000 0.955 549 K CA -0.544 55.728 56.287 -0.025 0.000 0.817 549 K CB 2.329 34.803 32.500 -0.044 0.000 1.208 549 K HN 0.569 nan 8.250 nan 0.000 0.432 550 T N 1.011 115.565 114.554 0.001 0.000 2.940 550 T HA 0.270 4.618 4.350 -0.003 0.000 0.288 550 T C 0.626 175.320 174.700 -0.011 0.000 1.033 550 T CA -0.524 61.583 62.100 0.011 0.000 1.033 550 T CB 1.149 70.036 68.868 0.032 0.000 1.079 550 T HN 0.681 nan 8.240 nan 0.000 0.496 551 K N 1.010 121.409 120.400 -0.002 0.000 2.127 551 K HA -0.171 4.147 4.320 -0.003 0.000 0.212 551 K C 2.030 178.615 176.600 -0.025 0.000 1.050 551 K CA 2.309 58.590 56.287 -0.011 0.000 0.929 551 K CB -0.357 32.143 32.500 -0.001 0.000 0.715 551 K HN 0.533 nan 8.250 nan 0.000 0.457 552 T N -0.547 113.994 114.554 -0.020 0.000 2.770 552 T HA 0.047 4.395 4.350 -0.003 0.000 0.258 552 T C 1.080 175.736 174.700 -0.073 0.000 1.039 552 T CA 1.152 63.233 62.100 -0.031 0.000 1.143 552 T CB 0.096 68.960 68.868 -0.007 0.000 0.866 552 T HN 0.533 nan 8.240 nan 0.000 0.428 553 G N -0.936 107.816 108.800 -0.081 0.000 2.726 553 G HA2 0.474 4.433 3.960 -0.003 0.000 0.198 553 G HA3 0.474 4.433 3.960 -0.003 0.000 0.198 553 G C -1.629 173.186 174.900 -0.141 0.000 1.195 553 G CA -0.927 44.055 45.100 -0.196 0.000 0.951 553 G HN 0.159 nan 8.290 nan 0.000 0.532 554 Y N 1.049 121.354 120.300 0.008 0.000 2.511 554 Y HA 0.503 5.052 4.550 -0.003 0.000 0.332 554 Y C 1.225 177.151 175.900 0.043 0.000 1.177 554 Y CA -0.035 58.036 58.100 -0.048 0.000 1.422 554 Y CB 1.115 39.623 38.460 0.079 0.000 1.271 554 Y HN 0.308 nan 8.280 nan 0.000 0.550 555 S N 1.170 116.958 115.700 0.147 0.000 2.513 555 S HA 0.325 4.793 4.470 -0.003 0.000 0.276 555 S C 0.574 175.334 174.600 0.267 0.000 1.254 555 S CA -0.088 58.205 58.200 0.155 0.000 1.053 555 S CB 0.155 63.405 63.200 0.082 0.000 0.958 555 S HN 0.833 nan 8.310 nan 0.000 0.491 556 T N 0.440 115.134 114.554 0.234 0.000 3.337 556 T HA 0.285 4.633 4.350 -0.003 0.000 0.299 556 T C 0.295 175.088 174.700 0.155 0.000 0.998 556 T CA -0.174 62.064 62.100 0.231 0.000 0.948 556 T CB -0.645 68.351 68.868 0.213 0.000 1.170 556 T HN 0.631 nan 8.240 nan 0.000 0.508 557 S N 0.821 116.600 115.700 0.131 0.000 2.568 557 S HA 0.552 5.021 4.470 -0.003 0.000 0.282 557 S C 1.888 176.543 174.600 0.092 0.000 1.338 557 S CA -0.224 58.035 58.200 0.098 0.000 1.045 557 S CB 0.962 64.211 63.200 0.081 0.000 0.873 557 S HN 0.574 nan 8.310 nan 0.000 0.516 558 A N 1.395 124.260 122.820 0.076 0.000 2.042 558 A HA -0.204 4.114 4.320 -0.003 0.000 0.222 558 A C 1.770 179.391 177.584 0.061 0.000 1.167 558 A CA 2.119 54.196 52.037 0.067 0.000 0.649 558 A CB -1.236 17.796 19.000 0.052 0.000 0.809 558 A HN 0.985 nan 8.150 nan 0.000 0.457 559 D N -0.909 119.524 120.400 0.056 0.000 2.182 559 D HA -0.104 4.534 4.640 -0.003 0.000 0.201 559 D C 1.689 178.027 176.300 0.063 0.000 0.986 559 D CA 1.532 55.559 54.000 0.046 0.000 0.847 559 D CB 0.045 40.868 40.800 0.038 0.000 0.942 559 D HN 0.211 nan 8.370 nan 0.000 0.467 560 V N -0.029 119.937 119.914 0.087 0.000 2.426 560 V HA -0.063 4.055 4.120 -0.003 0.000 0.242 560 V C 2.517 178.689 176.094 0.130 0.000 1.036 560 V CA 0.653 63.022 62.300 0.114 0.000 1.044 560 V CB -0.346 31.565 31.823 0.147 0.000 0.688 560 V HN 0.256 nan 8.190 nan 0.000 0.462 561 L N -0.022 121.273 121.223 0.121 0.000 2.043 561 L HA -0.246 4.092 4.340 -0.003 0.000 0.212 561 L C 2.568 179.497 176.870 0.098 0.000 1.075 561 L CA 1.896 56.801 54.840 0.108 0.000 0.752 561 L CB -0.789 41.324 42.059 0.089 0.000 0.891 561 L HN 0.408 nan 8.230 nan 0.000 0.432 562 E N 0.468 120.716 120.200 0.079 0.000 2.070 562 E HA -0.264 4.084 4.350 -0.003 0.000 0.197 562 E C 2.122 178.765 176.600 0.073 0.000 1.004 562 E CA 1.469 57.907 56.400 0.062 0.000 0.805 562 E CB -0.085 29.641 29.700 0.043 0.000 0.744 562 E HN 0.462 nan 8.360 nan 0.000 0.451 563 K N 0.220 120.675 120.400 0.092 0.000 2.362 563 K HA -0.038 4.280 4.320 -0.003 0.000 0.200 563 K C 1.842 178.559 176.600 0.195 0.000 1.046 563 K CA 0.569 56.925 56.287 0.116 0.000 0.952 563 K CB 0.141 32.711 32.500 0.116 0.000 0.753 563 K HN 0.162 nan 8.250 nan 0.000 0.466 564 L N -0.437 120.911 121.223 0.208 0.000 2.513 564 L HA 0.131 4.469 4.340 -0.003 0.000 0.222 564 L C 2.333 179.363 176.870 0.265 0.000 1.096 564 L CA 0.034 55.067 54.840 0.321 0.000 0.857 564 L CB -0.329 41.858 42.059 0.213 0.000 1.026 564 L HN 0.078 nan 8.230 nan 0.000 0.469 565 A N 1.607 124.509 122.820 0.136 0.000 1.927 565 A HA -0.172 4.146 4.320 -0.003 0.000 0.220 565 A C -0.050 177.556 177.584 0.036 0.000 1.185 565 A CA 1.893 53.979 52.037 0.082 0.000 0.639 565 A CB -1.756 17.270 19.000 0.045 0.000 0.820 565 A HN 0.279 nan 8.150 nan 0.000 0.451 566 P HA -0.141 nan 4.420 nan 0.000 0.219 566 P C 0.734 177.904 177.300 -0.218 0.000 1.146 566 P CA 1.091 64.076 63.100 -0.191 0.000 0.808 566 P CB -0.155 31.344 31.700 -0.335 0.000 0.779 567 Y N -2.776 117.546 120.300 0.036 0.000 2.243 567 Y HA 0.000 4.549 4.550 -0.003 0.000 0.293 567 Y C 1.606 177.550 175.900 0.073 0.000 1.124 567 Y CA 1.150 59.278 58.100 0.047 0.000 1.159 567 Y CB -0.244 38.252 38.460 0.060 0.000 1.008 567 Y HN 0.040 nan 8.280 nan 0.000 0.527 568 H N -0.742 118.403 119.070 0.126 0.000 2.974 568 H HA 0.146 4.700 4.556 -0.003 0.000 0.366 568 H C 0.296 175.641 175.328 0.028 0.000 1.155 568 H CA -0.543 55.540 56.048 0.057 0.000 1.186 568 H CB 1.839 31.622 29.762 0.036 0.000 1.799 568 H HN 0.197 nan 8.280 nan 0.000 0.541 569 E N 3.779 124.009 120.200 0.050 0.000 2.204 569 E HA -0.116 4.233 4.350 -0.003 0.000 0.195 569 E C 1.778 178.505 176.600 0.212 0.000 0.990 569 E CA 0.813 57.271 56.400 0.096 0.000 0.821 569 E CB 0.250 29.943 29.700 -0.012 0.000 0.750 569 E HN 0.640 nan 8.360 nan 0.000 0.477 570 I N 0.138 120.969 120.570 0.436 0.000 2.361 570 I HA -0.256 3.912 4.170 -0.003 0.000 0.251 570 I C 1.882 178.048 176.117 0.081 0.000 1.133 570 I CA 0.637 62.034 61.300 0.162 0.000 1.413 570 I CB 0.110 38.084 38.000 -0.043 0.000 1.073 570 I HN 0.035 nan 8.210 nan 0.000 0.424 571 V N 1.087 121.056 119.914 0.093 0.000 2.255 571 V HA -0.354 3.764 4.120 -0.003 0.000 0.247 571 V C 2.444 178.582 176.094 0.074 0.000 1.051 571 V CA 2.463 64.802 62.300 0.064 0.000 1.018 571 V CB -0.898 30.974 31.823 0.082 0.000 0.641 571 V HN 0.570 nan 8.190 nan 0.000 0.445 572 E N 0.534 120.778 120.200 0.074 0.000 2.085 572 E HA -0.293 4.055 4.350 -0.003 0.000 0.194 572 E C 1.973 178.629 176.600 0.093 0.000 0.994 572 E CA 2.087 58.526 56.400 0.066 0.000 0.801 572 E CB -0.264 29.458 29.700 0.037 0.000 0.743 572 E HN 0.755 nan 8.360 nan 0.000 0.453 573 N N -0.025 118.729 118.700 0.090 0.000 2.166 573 N HA -0.115 4.623 4.740 -0.003 0.000 0.186 573 N C 1.883 177.472 175.510 0.132 0.000 1.019 573 N CA 1.261 54.379 53.050 0.113 0.000 0.856 573 N CB -0.033 38.492 38.487 0.064 0.000 0.993 573 N HN 0.216 nan 8.380 nan 0.000 0.426 574 I N 0.528 121.154 120.570 0.093 0.000 2.315 574 I HA -0.224 3.944 4.170 -0.003 0.000 0.248 574 I C 1.859 178.071 176.117 0.158 0.000 1.117 574 I CA 0.847 62.209 61.300 0.104 0.000 1.404 574 I CB -0.128 37.912 38.000 0.067 0.000 1.071 574 I HN 0.173 nan 8.210 nan 0.000 0.419 575 L N -0.161 121.143 121.223 0.134 0.000 2.017 575 L HA -0.267 4.071 4.340 -0.003 0.000 0.208 575 L C 2.756 179.719 176.870 0.155 0.000 1.073 575 L CA 1.456 56.371 54.840 0.125 0.000 0.745 575 L CB -0.767 41.353 42.059 0.101 0.000 0.894 575 L HN 0.298 nan 8.230 nan 0.000 0.432 576 H N -1.139 117.969 119.070 0.062 0.000 2.387 576 H HA -0.263 4.292 4.556 -0.003 0.000 0.299 576 H C 1.982 177.343 175.328 0.055 0.000 1.090 576 H CA 1.800 57.876 56.048 0.046 0.000 1.332 576 H CB -0.182 29.605 29.762 0.041 0.000 1.386 576 H HN 0.344 nan 8.280 nan 0.000 0.516 577 Y N 0.829 121.091 120.300 -0.063 0.000 2.200 577 Y HA -0.118 4.430 4.550 -0.003 0.000 0.290 577 Y C 2.409 178.248 175.900 -0.100 0.000 1.137 577 Y CA 1.393 59.411 58.100 -0.136 0.000 1.163 577 Y CB -0.044 38.352 38.460 -0.108 0.000 0.988 577 Y HN 0.021 nan 8.280 nan 0.000 0.518 578 R N 0.480 120.983 120.500 0.005 0.000 2.083 578 R HA -0.240 4.098 4.340 -0.003 0.000 0.237 578 R C 2.308 178.542 176.300 -0.109 0.000 1.137 578 R CA 1.907 57.982 56.100 -0.042 0.000 0.951 578 R CB -0.967 29.366 30.300 0.054 0.000 0.851 578 R HN 0.575 nan 8.270 nan 0.000 0.434 579 Q N 0.703 120.461 119.800 -0.071 0.000 2.030 579 Q HA -0.147 4.191 4.340 -0.003 0.000 0.204 579 Q C 2.265 178.191 176.000 -0.124 0.000 0.986 579 Q CA 1.578 57.345 55.803 -0.059 0.000 0.843 579 Q CB -0.140 28.599 28.738 0.002 0.000 0.904 579 Q HN 0.302 nan 8.270 nan 0.000 0.420 580 L N -0.112 120.966 121.223 -0.242 0.000 2.046 580 L HA -0.115 4.224 4.340 -0.003 0.000 0.208 580 L C 2.541 179.260 176.870 -0.252 0.000 1.077 580 L CA 1.122 55.806 54.840 -0.259 0.000 0.747 580 L CB -0.868 40.969 42.059 -0.370 0.000 0.896 580 L HN 0.457 nan 8.230 nan 0.000 0.432 581 G N 0.049 108.616 108.800 -0.389 0.000 2.432 581 G HA2 -0.301 3.658 3.960 -0.003 0.000 0.219 581 G HA3 -0.301 3.658 3.960 -0.003 0.000 0.219 581 G C 1.664 176.456 174.900 -0.179 0.000 1.135 581 G CA 0.852 45.736 45.100 -0.360 0.000 0.767 581 G HN 0.208 nan 8.290 nan 0.000 0.550 582 K N 0.338 120.666 120.400 -0.121 0.000 2.097 582 K HA 0.132 4.450 4.320 -0.003 0.000 0.205 582 K C 2.352 178.979 176.600 0.045 0.000 1.050 582 K CA 0.811 57.078 56.287 -0.034 0.000 0.938 582 K CB -0.425 32.087 32.500 0.020 0.000 0.718 582 K HN 0.347 nan 8.250 nan 0.000 0.442 583 L N 0.067 121.330 121.223 0.067 0.000 2.109 583 L HA -0.090 4.248 4.340 -0.003 0.000 0.207 583 L C 2.575 179.499 176.870 0.090 0.000 1.086 583 L CA 1.055 55.992 54.840 0.163 0.000 0.760 583 L CB -0.405 41.696 42.059 0.070 0.000 0.910 583 L HN 0.285 nan 8.230 nan 0.000 0.437 584 Q N 0.172 119.967 119.800 -0.008 0.000 1.990 584 Q HA -0.135 4.203 4.340 -0.003 0.000 0.200 584 Q C 2.303 178.285 176.000 -0.030 0.000 0.980 584 Q CA 2.385 58.172 55.803 -0.027 0.000 0.832 584 Q CB -0.137 28.558 28.738 -0.072 0.000 0.897 584 Q HN 0.296 nan 8.270 nan 0.000 0.427 585 S N -0.467 115.196 115.700 -0.062 0.000 2.345 585 S HA -0.114 4.354 4.470 -0.003 0.000 0.220 585 S C 2.025 176.564 174.600 -0.102 0.000 1.031 585 S CA 1.592 59.750 58.200 -0.071 0.000 0.996 585 S CB -0.734 62.419 63.200 -0.078 0.000 0.882 585 S HN 0.507 nan 8.310 nan 0.000 0.445 586 T N 0.964 115.415 114.554 -0.171 0.000 2.732 586 T HA -0.006 4.342 4.350 -0.003 0.000 0.261 586 T C 1.576 176.029 174.700 -0.410 0.000 1.040 586 T CA 1.356 63.242 62.100 -0.356 0.000 1.145 586 T CB -0.362 68.139 68.868 -0.613 0.000 0.866 586 T HN 0.389 nan 8.240 nan 0.000 0.427 587 Y N 0.400 120.711 120.300 0.018 0.000 2.230 587 Y HA 0.204 4.753 4.550 -0.003 0.000 0.294 587 Y C 2.374 178.298 175.900 0.040 0.000 1.120 587 Y CA -0.122 58.005 58.100 0.045 0.000 1.129 587 Y CB -0.452 38.037 38.460 0.048 0.000 1.040 587 Y HN 0.055 nan 8.280 nan 0.000 0.519 588 I N 0.757 121.420 120.570 0.155 0.000 2.072 588 I HA -0.243 3.926 4.170 -0.003 0.000 0.235 588 I C 2.052 178.193 176.117 0.039 0.000 1.058 588 I CA 1.732 63.081 61.300 0.082 0.000 1.320 588 I CB -1.350 36.677 38.000 0.044 0.000 1.047 588 I HN 0.327 nan 8.210 nan 0.000 0.397 589 E N 0.681 120.887 120.200 0.011 0.000 2.106 589 E HA -0.130 4.218 4.350 -0.003 0.000 0.192 589 E C 2.266 178.861 176.600 -0.009 0.000 0.984 589 E CA 1.098 57.494 56.400 -0.006 0.000 0.806 589 E CB -0.409 29.279 29.700 -0.019 0.000 0.750 589 E HN 0.602 nan 8.360 nan 0.000 0.458 590 G N 1.668 110.457 108.800 -0.020 0.000 2.446 590 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.217 590 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.217 590 G C 1.601 176.507 174.900 0.011 0.000 1.168 590 G CA 0.551 45.634 45.100 -0.028 0.000 0.771 590 G HN 0.076 nan 8.290 nan 0.000 0.551 591 L N -0.078 121.177 121.223 0.052 0.000 2.027 591 L HA 0.033 4.371 4.340 -0.003 0.000 0.206 591 L C 2.917 179.796 176.870 0.015 0.000 1.074 591 L CA 0.517 55.397 54.840 0.068 0.000 0.745 591 L CB -0.387 41.743 42.059 0.118 0.000 0.898 591 L HN 0.180 nan 8.230 nan 0.000 0.433 592 L N -0.304 120.921 121.223 0.004 0.000 2.187 592 L HA -0.249 4.089 4.340 -0.003 0.000 0.213 592 L C 2.467 179.329 176.870 -0.014 0.000 1.100 592 L CA 1.311 56.143 54.840 -0.014 0.000 0.765 592 L CB -0.479 41.572 42.059 -0.013 0.000 0.904 592 L HN 0.263 nan 8.230 nan 0.000 0.437 593 K N -0.341 120.054 120.400 -0.009 0.000 2.217 593 K HA -0.073 4.246 4.320 -0.003 0.000 0.202 593 K C 1.689 178.281 176.600 -0.013 0.000 1.051 593 K CA 1.292 57.571 56.287 -0.013 0.000 0.952 593 K CB 0.126 32.617 32.500 -0.014 0.000 0.736 593 K HN 0.357 nan 8.250 nan 0.000 0.453 594 V N -2.509 117.400 119.914 -0.007 0.000 3.578 594 V HA 0.153 4.272 4.120 -0.003 0.000 0.290 594 V C 0.612 176.703 176.094 -0.004 0.000 1.376 594 V CA -0.499 61.797 62.300 -0.006 0.000 1.083 594 V CB 0.179 32.003 31.823 0.002 0.000 0.911 594 V HN -0.214 nan 8.190 nan 0.000 0.433 595 V N 3.359 123.264 119.914 -0.014 0.000 2.572 595 V HA 0.262 4.380 4.120 -0.003 0.000 0.291 595 V C 0.785 176.877 176.094 -0.003 0.000 1.039 595 V CA -0.272 62.015 62.300 -0.021 0.000 1.055 595 V CB 0.517 32.312 31.823 -0.047 0.000 0.969 595 V HN 0.498 nan 8.190 nan 0.000 0.482 596 R N 7.432 127.948 120.500 0.028 0.000 2.296 596 R HA 0.164 4.502 4.340 -0.003 0.000 0.323 596 R C -1.477 174.835 176.300 0.019 0.000 1.067 596 R CA -1.540 54.583 56.100 0.038 0.000 0.946 596 R CB 0.638 31.003 30.300 0.108 0.000 0.991 596 R HN 0.529 nan 8.270 nan 0.000 0.448 597 P HA -0.199 nan 4.420 nan 0.000 0.219 597 P C 0.412 177.714 177.300 0.004 0.000 1.146 597 P CA 1.314 64.413 63.100 -0.002 0.000 0.808 597 P CB 0.279 31.975 31.700 -0.006 0.000 0.779 598 D N -0.004 120.407 120.400 0.018 0.000 2.137 598 D HA -0.098 4.540 4.640 -0.003 0.000 0.202 598 D C 1.580 177.892 176.300 0.020 0.000 0.970 598 D CA 1.952 55.965 54.000 0.022 0.000 0.837 598 D CB -1.368 39.454 40.800 0.036 0.000 0.981 598 D HN 0.264 nan 8.370 nan 0.000 0.475 599 T N -3.278 111.298 114.554 0.036 0.000 3.001 599 T HA 0.196 4.544 4.350 -0.003 0.000 0.251 599 T C 0.810 175.505 174.700 -0.008 0.000 1.040 599 T CA -0.274 61.838 62.100 0.020 0.000 0.985 599 T CB 0.049 68.952 68.868 0.058 0.000 1.011 599 T HN 0.097 nan 8.240 nan 0.000 0.509 600 K N 0.809 121.205 120.400 -0.008 0.000 3.069 600 K HA -0.152 4.166 4.320 -0.003 0.000 0.267 600 K C -0.509 176.051 176.600 -0.066 0.000 1.082 600 K CA 0.639 56.903 56.287 -0.039 0.000 0.782 600 K CB -1.199 31.271 32.500 -0.049 0.000 1.230 600 K HN 0.528 nan 8.250 nan 0.000 0.488 601 K N 0.386 120.757 120.400 -0.047 0.000 2.221 601 K HA 0.534 4.852 4.320 -0.003 0.000 0.243 601 K C -0.138 176.384 176.600 -0.131 0.000 0.968 601 K CA -0.849 55.358 56.287 -0.133 0.000 0.846 601 K CB 2.196 34.575 32.500 -0.202 0.000 1.141 601 K HN 0.041 nan 8.250 nan 0.000 0.434 602 V N -0.845 118.937 119.914 -0.220 0.000 2.495 602 V HA 0.415 4.534 4.120 -0.003 0.000 0.298 602 V C -0.656 175.248 176.094 -0.317 0.000 1.031 602 V CA -0.678 61.538 62.300 -0.140 0.000 0.871 602 V CB 1.371 33.176 31.823 -0.031 0.000 0.988 602 V HN 0.714 nan 8.190 nan 0.000 0.432 603 H N 2.747 121.725 119.070 -0.154 0.000 2.691 603 H HA 0.371 4.925 4.556 -0.003 0.000 0.281 603 H C 0.324 175.510 175.328 -0.237 0.000 1.121 603 H CA -0.187 55.678 56.048 -0.304 0.000 1.254 603 H CB 1.644 30.977 29.762 -0.715 0.000 1.390 603 H HN 0.852 nan 8.280 nan 0.000 0.491 604 T N 2.765 117.271 114.554 -0.081 0.000 2.766 604 T HA 0.333 4.682 4.350 -0.003 0.000 0.295 604 T C 0.547 175.203 174.700 -0.073 0.000 1.024 604 T CA -0.288 61.727 62.100 -0.141 0.000 1.018 604 T CB 0.339 68.993 68.868 -0.357 0.000 1.002 604 T HN 0.418 nan 8.240 nan 0.000 0.532 605 I N 2.750 123.215 120.570 -0.175 0.000 2.418 605 I HA 0.329 4.497 4.170 -0.003 0.000 0.287 605 I C -1.021 174.996 176.117 -0.167 0.000 1.008 605 I CA -0.754 60.485 61.300 -0.102 0.000 1.104 605 I CB 1.468 39.361 38.000 -0.177 0.000 1.264 605 I HN 0.523 nan 8.210 nan 0.000 0.438 606 F N 4.929 124.949 119.950 0.118 0.000 2.404 606 F HA 0.249 4.774 4.527 -0.003 0.000 0.358 606 F C 0.834 176.662 175.800 0.046 0.000 1.120 606 F CA -0.494 57.549 58.000 0.073 0.000 1.144 606 F CB 0.403 39.446 39.000 0.070 0.000 1.133 606 F HN 0.393 nan 8.300 nan 0.000 0.495 607 N N 3.685 122.495 118.700 0.184 0.000 2.401 607 N HA 0.001 4.740 4.740 -0.003 0.000 0.255 607 N C 0.616 176.136 175.510 0.018 0.000 1.110 607 N CA 0.264 53.360 53.050 0.076 0.000 0.949 607 N CB 0.848 39.359 38.487 0.040 0.000 1.110 607 N HN 0.782 nan 8.380 nan 0.000 0.490 608 Q N 2.771 122.537 119.800 -0.057 0.000 2.408 608 Q HA 0.189 4.528 4.340 -0.003 0.000 0.205 608 Q C -0.204 175.489 176.000 -0.512 0.000 0.919 608 Q CA 0.212 55.919 55.803 -0.161 0.000 0.932 608 Q CB 0.357 29.031 28.738 -0.106 0.000 1.058 608 Q HN 0.630 nan 8.270 nan 0.000 0.517 609 A N 0.579 123.035 122.820 -0.608 0.000 3.113 609 A HA 0.318 4.636 4.320 -0.003 0.000 0.307 609 A C 0.045 177.239 177.584 -0.651 0.000 1.025 609 A CA -0.278 51.023 52.037 -1.226 0.000 1.012 609 A CB 0.238 18.853 19.000 -0.641 0.000 1.085 609 A HN 0.394 nan 8.150 nan 0.000 0.519 610 L N -0.215 120.788 121.223 -0.367 0.000 2.738 610 L HA 0.318 4.657 4.340 -0.003 0.000 0.175 610 L C 1.255 178.252 176.870 0.211 0.000 1.125 610 L CA 1.562 56.411 54.840 0.016 0.000 0.857 610 L CB 0.076 42.148 42.059 0.023 0.000 1.300 610 L HN 0.330 nan 8.230 nan 0.000 0.499 611 T N -1.423 113.251 114.554 0.201 0.000 2.932 611 T HA 0.004 4.352 4.350 -0.003 0.000 0.312 611 T C 0.695 175.565 174.700 0.284 0.000 1.071 611 T CA -0.021 62.213 62.100 0.224 0.000 1.128 611 T CB 0.613 69.585 68.868 0.173 0.000 0.984 611 T HN 0.445 nan 8.240 nan 0.000 0.549 612 Q N 1.145 121.059 119.800 0.190 0.000 2.451 612 Q HA -0.012 4.326 4.340 -0.003 0.000 0.206 612 Q C 2.116 178.164 176.000 0.080 0.000 0.947 612 Q CA 1.188 57.067 55.803 0.128 0.000 0.937 612 Q CB 0.039 28.851 28.738 0.122 0.000 1.025 612 Q HN 1.034 nan 8.270 nan 0.000 0.511 613 T N -4.674 109.941 114.554 0.101 0.000 3.051 613 T HA 0.245 4.593 4.350 -0.003 0.000 0.255 613 T C 1.421 176.162 174.700 0.069 0.000 1.085 613 T CA 0.745 62.886 62.100 0.068 0.000 1.109 613 T CB 0.679 69.592 68.868 0.075 0.000 0.921 613 T HN 0.333 nan 8.240 nan 0.000 0.488 614 G N 1.427 110.307 108.800 0.134 0.000 2.201 614 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.212 614 G HA3 -0.185 3.773 3.960 -0.003 0.000 0.212 614 G C 0.196 175.182 174.900 0.144 0.000 0.994 614 G CA -0.401 44.798 45.100 0.164 0.000 0.644 614 G HN 0.620 nan 8.290 nan 0.000 0.508 615 R N 0.004 120.574 120.500 0.117 0.000 2.641 615 R HA 0.571 4.910 4.340 -0.003 0.000 0.269 615 R C 0.659 177.009 176.300 0.083 0.000 1.074 615 R CA -0.212 55.939 56.100 0.085 0.000 1.133 615 R CB 0.513 30.862 30.300 0.082 0.000 1.029 615 R HN 0.270 nan 8.270 nan 0.000 0.488 616 L N 1.139 122.393 121.223 0.051 0.000 2.399 616 L HA 0.282 4.620 4.340 -0.003 0.000 0.266 616 L C 0.556 177.490 176.870 0.106 0.000 1.114 616 L CA -0.265 54.613 54.840 0.062 0.000 0.804 616 L CB 1.384 43.445 42.059 0.003 0.000 1.146 616 L HN 0.741 nan 8.230 nan 0.000 0.451 617 S N 0.323 116.111 115.700 0.146 0.000 2.677 617 S HA 0.708 5.176 4.470 -0.003 0.000 0.304 617 S C -0.635 174.085 174.600 0.199 0.000 1.108 617 S CA -0.749 57.534 58.200 0.138 0.000 0.944 617 S CB 2.035 65.290 63.200 0.092 0.000 1.127 617 S HN 0.536 nan 8.310 nan 0.000 0.511 618 S N 0.553 116.323 115.700 0.116 0.000 2.538 618 S HA 0.816 5.285 4.470 -0.003 0.000 0.288 618 S C -0.750 173.838 174.600 -0.021 0.000 1.108 618 S CA -0.275 57.926 58.200 0.002 0.000 0.971 618 S CB 1.150 64.341 63.200 -0.016 0.000 1.041 618 S HN 1.326 nan 8.310 nan 0.000 0.483 619 T N 0.547 115.058 114.554 -0.071 0.000 2.883 619 T HA 0.615 4.963 4.350 -0.003 0.000 0.296 619 T C -0.831 173.837 174.700 -0.053 0.000 1.117 619 T CA -0.822 61.255 62.100 -0.038 0.000 1.006 619 T CB 1.040 69.894 68.868 -0.024 0.000 1.191 619 T HN 0.705 nan 8.240 nan 0.000 0.508 620 E N 1.620 121.805 120.200 -0.026 0.000 2.272 620 E HA -0.133 4.215 4.350 -0.003 0.000 0.160 620 E C -2.299 174.293 176.600 -0.013 0.000 1.627 620 E CA 0.144 56.532 56.400 -0.020 0.000 0.641 620 E CB -0.815 28.866 29.700 -0.031 0.000 1.060 620 E HN 0.578 nan 8.360 nan 0.000 0.324 621 P HA 0.063 nan 4.420 nan 0.000 0.280 621 P C -0.513 176.805 177.300 0.030 0.000 1.272 621 P CA -0.563 62.560 63.100 0.037 0.000 0.819 621 P CB 0.774 32.534 31.700 0.100 0.000 1.122 622 N N 1.060 119.796 118.700 0.060 0.000 2.415 622 N HA 0.112 4.851 4.740 -0.003 0.000 0.246 622 N C 0.163 175.755 175.510 0.137 0.000 1.078 622 N CA -0.067 53.026 53.050 0.071 0.000 0.942 622 N CB -0.656 37.878 38.487 0.078 0.000 1.140 622 N HN 0.292 nan 8.380 nan 0.000 0.501 623 L N 2.684 123.978 121.223 0.118 0.000 2.791 623 L HA 0.210 4.549 4.340 -0.003 0.000 0.239 623 L C 1.075 178.086 176.870 0.235 0.000 1.203 623 L CA 0.079 55.028 54.840 0.181 0.000 1.002 623 L CB 0.002 42.134 42.059 0.121 0.000 1.295 623 L HN 0.539 nan 8.230 nan 0.000 0.504 624 Q N 0.523 120.438 119.800 0.192 0.000 2.247 624 Q HA 0.090 4.429 4.340 -0.003 0.000 0.211 624 Q C 0.536 176.689 176.000 0.255 0.000 0.861 624 Q CA 0.049 55.960 55.803 0.180 0.000 0.949 624 Q CB 0.468 29.227 28.738 0.034 0.000 1.115 624 Q HN 0.466 nan 8.270 nan 0.000 0.507 625 N N -0.170 118.665 118.700 0.225 0.000 2.451 625 N HA 0.070 4.808 4.740 -0.003 0.000 0.271 625 N C -0.482 175.094 175.510 0.109 0.000 1.410 625 N CA -0.215 52.961 53.050 0.210 0.000 0.884 625 N CB 0.425 39.055 38.487 0.239 0.000 1.332 625 N HN -0.056 nan 8.380 nan 0.000 0.498 626 I N 1.771 122.330 120.570 -0.020 0.000 2.533 626 I HA 0.234 4.402 4.170 -0.003 0.000 0.284 626 I C -1.841 174.010 176.117 -0.443 0.000 1.109 626 I CA -1.949 59.164 61.300 -0.312 0.000 1.412 626 I CB -0.161 37.608 38.000 -0.385 0.000 1.396 626 I HN -0.109 nan 8.210 nan 0.000 0.543 627 P HA 0.037 nan 4.420 nan 0.000 0.263 627 P C 0.638 177.742 177.300 -0.327 0.000 1.168 627 P CA 0.642 63.490 63.100 -0.420 0.000 0.759 627 P CB 0.949 32.377 31.700 -0.452 0.000 0.782 628 I N 1.123 121.547 120.570 -0.244 0.000 5.347 628 I HA 0.029 4.198 4.170 -0.003 0.000 0.346 628 I C 1.544 177.560 176.117 -0.169 0.000 1.177 628 I CA -0.062 61.098 61.300 -0.233 0.000 1.553 628 I CB 0.340 38.172 38.000 -0.279 0.000 1.757 628 I HN 0.047 nan 8.210 nan 0.000 0.603 629 R N 1.542 121.958 120.500 -0.139 0.000 2.070 629 R HA 0.120 4.458 4.340 -0.003 0.000 0.233 629 R C 0.648 176.897 176.300 -0.085 0.000 1.137 629 R CA 1.159 57.196 56.100 -0.106 0.000 0.945 629 R CB -0.841 29.405 30.300 -0.090 0.000 0.845 629 R HN 0.283 nan 8.270 nan 0.000 0.430 630 L N 1.365 122.544 121.223 -0.073 0.000 2.312 630 L HA 0.127 4.465 4.340 -0.003 0.000 0.281 630 L C 1.620 178.465 176.870 -0.041 0.000 1.070 630 L CA -0.453 54.358 54.840 -0.048 0.000 0.805 630 L CB 1.450 43.490 42.059 -0.031 0.000 1.174 630 L HN 0.028 nan 8.230 nan 0.000 0.434 631 E N 1.860 122.048 120.200 -0.020 0.000 2.118 631 E HA -0.226 4.123 4.350 -0.003 0.000 0.195 631 E C 1.543 178.153 176.600 0.017 0.000 0.992 631 E CA 1.708 58.115 56.400 0.012 0.000 0.804 631 E CB 0.223 29.934 29.700 0.020 0.000 0.741 631 E HN 0.642 nan 8.360 nan 0.000 0.458 632 E N -0.912 119.289 120.200 0.002 0.000 2.038 632 E HA -0.151 4.198 4.350 -0.003 0.000 0.195 632 E C 2.081 178.668 176.600 -0.021 0.000 1.000 632 E CA 1.108 57.507 56.400 -0.002 0.000 0.803 632 E CB -0.427 29.280 29.700 0.011 0.000 0.750 632 E HN 0.441 nan 8.360 nan 0.000 0.448 633 G N 0.902 109.677 108.800 -0.042 0.000 2.421 633 G HA2 -0.260 3.698 3.960 -0.003 0.000 0.217 633 G HA3 -0.260 3.698 3.960 -0.003 0.000 0.217 633 G C 1.507 176.342 174.900 -0.107 0.000 1.143 633 G CA 0.433 45.480 45.100 -0.089 0.000 0.784 633 G HN 0.078 nan 8.290 nan 0.000 0.541 634 R N 0.423 120.884 120.500 -0.064 0.000 2.127 634 R HA -0.082 4.256 4.340 -0.003 0.000 0.238 634 R C 2.205 178.570 176.300 0.109 0.000 1.134 634 R CA 1.161 57.248 56.100 -0.022 0.000 0.975 634 R CB -0.059 30.253 30.300 0.020 0.000 0.865 634 R HN 0.044 nan 8.270 nan 0.000 0.447 635 K N 0.663 121.093 120.400 0.049 0.000 2.286 635 K HA -0.145 4.174 4.320 -0.003 0.000 0.203 635 K C 1.879 178.448 176.600 -0.052 0.000 1.045 635 K CA 0.765 56.995 56.287 -0.095 0.000 0.935 635 K CB -0.240 32.188 32.500 -0.119 0.000 0.737 635 K HN 0.315 nan 8.250 nan 0.000 0.460 636 I N 0.918 121.482 120.570 -0.010 0.000 2.335 636 I HA -0.261 3.908 4.170 -0.003 0.000 0.251 636 I C 1.937 178.161 176.117 0.177 0.000 1.129 636 I CA 1.236 62.567 61.300 0.052 0.000 1.402 636 I CB -0.636 37.362 38.000 -0.003 0.000 1.069 636 I HN 0.200 nan 8.210 nan 0.000 0.424 637 R N 0.396 120.965 120.500 0.114 0.000 2.285 637 R HA -0.119 4.219 4.340 -0.003 0.000 0.213 637 R C 1.892 178.413 176.300 0.368 0.000 1.068 637 R CA 0.511 56.731 56.100 0.199 0.000 1.004 637 R CB -0.172 30.030 30.300 -0.162 0.000 0.873 637 R HN 0.554 nan 8.270 nan 0.000 0.467 638 Q N -0.156 119.757 119.800 0.187 0.000 2.436 638 Q HA 0.019 4.357 4.340 -0.003 0.000 0.209 638 Q C 1.620 177.705 176.000 0.141 0.000 0.965 638 Q CA 0.895 56.764 55.803 0.109 0.000 0.910 638 Q CB 0.281 28.936 28.738 -0.137 0.000 0.980 638 Q HN 0.311 nan 8.270 nan 0.000 0.491 639 A N -0.001 122.928 122.820 0.182 0.000 2.218 639 A HA 0.080 4.398 4.320 -0.003 0.000 0.209 639 A C 0.044 177.604 177.584 -0.041 0.000 1.168 639 A CA 0.044 52.105 52.037 0.039 0.000 0.804 639 A CB 0.180 19.153 19.000 -0.045 0.000 0.834 639 A HN 0.151 nan 8.150 nan 0.000 0.482 640 F N 0.613 120.679 119.950 0.194 0.000 2.371 640 F HA 0.463 4.988 4.527 -0.003 0.000 0.363 640 F C 0.357 176.264 175.800 0.178 0.000 1.122 640 F CA -0.743 57.384 58.000 0.211 0.000 1.129 640 F CB 1.376 40.611 39.000 0.392 0.000 1.173 640 F HN 0.060 nan 8.300 nan 0.000 0.489 641 V N 1.629 121.656 119.914 0.189 0.000 3.158 641 V HA 0.768 4.886 4.120 -0.003 0.000 0.315 641 V C -2.846 173.321 176.094 0.121 0.000 1.148 641 V CA -3.249 59.143 62.300 0.153 0.000 1.042 641 V CB 1.878 33.754 31.823 0.088 0.000 1.101 641 V HN 0.324 nan 8.190 nan 0.000 0.448 642 P HA 0.223 nan 4.420 nan 0.000 0.272 642 P C 0.671 177.987 177.300 0.026 0.000 1.223 642 P CA 0.215 63.398 63.100 0.137 0.000 0.784 642 P CB 0.758 32.593 31.700 0.226 0.000 0.923 643 S N -0.234 115.436 115.700 -0.050 0.000 2.607 643 S HA 0.043 4.511 4.470 -0.003 0.000 0.224 643 S C 0.310 174.732 174.600 -0.297 0.000 0.969 643 S CA 0.392 58.493 58.200 -0.165 0.000 0.927 643 S CB -0.482 62.611 63.200 -0.179 0.000 0.772 643 S HN 0.485 nan 8.310 nan 0.000 0.533 644 E N 1.042 121.016 120.200 -0.375 0.000 2.408 644 E HA 0.430 4.778 4.350 -0.003 0.000 0.275 644 E C -1.157 175.347 176.600 -0.159 0.000 0.935 644 E CA -0.828 55.306 56.400 -0.443 0.000 0.775 644 E CB 2.077 31.157 29.700 -1.035 0.000 1.277 644 E HN 0.304 nan 8.360 nan 0.000 0.455 645 S N 1.108 116.765 115.700 -0.071 0.000 2.564 645 S HA 0.135 4.603 4.470 -0.003 0.000 0.278 645 S C 0.054 174.757 174.600 0.172 0.000 1.333 645 S CA -0.424 57.806 58.200 0.049 0.000 1.048 645 S CB 0.401 63.619 63.200 0.029 0.000 0.900 645 S HN 0.688 nan 8.310 nan 0.000 0.505 646 D N -0.937 119.576 120.400 0.188 0.000 3.090 646 D HA -0.124 4.514 4.640 -0.003 0.000 0.215 646 D C -1.080 175.409 176.300 0.316 0.000 1.140 646 D CA 1.190 55.317 54.000 0.212 0.000 0.937 646 D CB -1.444 39.463 40.800 0.178 0.000 1.108 646 D HN 0.641 nan 8.370 nan 0.000 0.420 647 W N 0.170 121.478 121.300 0.013 0.000 2.647 647 W HA 0.732 5.390 4.660 -0.003 0.000 0.353 647 W C 0.431 176.970 176.519 0.034 0.000 1.080 647 W CA -0.415 56.931 57.345 0.001 0.000 1.208 647 W CB 0.834 30.284 29.460 -0.017 0.000 1.396 647 W HN -0.178 nan 8.180 nan 0.000 0.573 648 L N 3.059 124.398 121.223 0.193 0.000 2.327 648 L HA 0.504 4.842 4.340 -0.003 0.000 0.258 648 L C -0.657 176.336 176.870 0.205 0.000 1.024 648 L CA -1.307 53.652 54.840 0.198 0.000 0.825 648 L CB 1.719 43.890 42.059 0.186 0.000 1.386 648 L HN 0.008 nan 8.230 nan 0.000 0.417 649 I N 1.624 122.339 120.570 0.242 0.000 2.342 649 I HA 0.253 4.422 4.170 -0.003 0.000 0.291 649 I C -0.677 175.618 176.117 0.298 0.000 1.010 649 I CA 0.063 61.499 61.300 0.227 0.000 1.308 649 I CB 0.881 39.011 38.000 0.216 0.000 1.400 649 I HN 0.333 nan 8.210 nan 0.000 0.488 650 F N 6.161 126.177 119.950 0.109 0.000 2.449 650 F HA 0.719 5.244 4.527 -0.003 0.000 0.342 650 F C -0.335 175.535 175.800 0.116 0.000 1.127 650 F CA -0.596 57.488 58.000 0.140 0.000 0.975 650 F CB 1.447 40.460 39.000 0.022 0.000 1.146 650 F HN 0.499 nan 8.300 nan 0.000 0.444 651 A N 4.609 127.353 122.820 -0.125 0.000 2.343 651 A HA 0.927 5.245 4.320 -0.003 0.000 0.316 651 A C -1.469 176.071 177.584 -0.073 0.000 1.104 651 A CA -0.312 51.739 52.037 0.022 0.000 0.768 651 A CB 1.046 20.129 19.000 0.138 0.000 1.213 651 A HN 1.227 nan 8.150 nan 0.000 0.456 652 A N 2.764 125.628 122.820 0.073 0.000 2.371 652 A HA 0.790 5.109 4.320 -0.003 0.000 0.311 652 A C -1.253 176.344 177.584 0.021 0.000 1.068 652 A CA -0.499 51.580 52.037 0.069 0.000 0.744 652 A CB 1.078 20.171 19.000 0.155 0.000 1.239 652 A HN 0.939 nan 8.150 nan 0.000 0.435 653 D N 1.050 121.454 120.400 0.006 0.000 2.819 653 D HA 0.398 5.036 4.640 -0.003 0.000 0.232 653 D C -1.362 174.925 176.300 -0.021 0.000 1.160 653 D CA -0.360 53.645 54.000 0.008 0.000 0.858 653 D CB 0.812 41.670 40.800 0.096 0.000 1.610 653 D HN 0.322 nan 8.370 nan 0.000 0.481 654 Y N 0.504 120.843 120.300 0.064 0.000 2.425 654 Y HA 0.205 4.753 4.550 -0.003 0.000 0.331 654 Y C 1.366 177.282 175.900 0.026 0.000 1.157 654 Y CA 0.132 58.251 58.100 0.030 0.000 1.372 654 Y CB 1.122 39.584 38.460 0.004 0.000 1.253 654 Y HN 0.318 nan 8.280 nan 0.000 0.536 655 S N 4.620 120.428 115.700 0.180 0.000 2.411 655 S HA 0.152 4.620 4.470 -0.003 0.000 0.294 655 S C -0.313 174.322 174.600 0.059 0.000 1.115 655 S CA -0.670 57.596 58.200 0.110 0.000 1.071 655 S CB -0.035 63.218 63.200 0.088 0.000 0.967 655 S HN 0.723 nan 8.310 nan 0.000 0.488 656 Q N 2.783 122.615 119.800 0.054 0.000 2.453 656 Q HA -0.221 4.118 4.340 -0.003 0.000 0.294 656 Q C 0.673 176.578 176.000 -0.159 0.000 1.295 656 Q CA 0.809 56.605 55.803 -0.012 0.000 0.853 656 Q CB -2.228 26.543 28.738 0.055 0.000 1.193 656 Q HN 0.925 nan 8.270 nan 0.000 0.461 657 I N -0.402 120.096 120.570 -0.120 0.000 2.286 657 I HA -0.299 3.869 4.170 -0.003 0.000 0.248 657 I C 1.754 177.713 176.117 -0.264 0.000 1.115 657 I CA 1.793 62.946 61.300 -0.244 0.000 1.392 657 I CB 0.339 38.154 38.000 -0.310 0.000 1.065 657 I HN 0.237 nan 8.210 nan 0.000 0.418 658 E N 0.835 120.915 120.200 -0.200 0.000 2.051 658 E HA -0.205 4.143 4.350 -0.003 0.000 0.192 658 E C 2.118 178.592 176.600 -0.211 0.000 0.991 658 E CA 1.435 57.707 56.400 -0.214 0.000 0.799 658 E CB -0.320 29.230 29.700 -0.250 0.000 0.748 658 E HN 0.483 nan 8.360 nan 0.000 0.449 659 L N 0.152 121.269 121.223 -0.176 0.000 2.217 659 L HA -0.083 4.255 4.340 -0.003 0.000 0.211 659 L C 2.358 179.107 176.870 -0.201 0.000 1.107 659 L CA 0.907 55.699 54.840 -0.080 0.000 0.783 659 L CB -0.173 41.980 42.059 0.157 0.000 0.919 659 L HN 0.052 nan 8.230 nan 0.000 0.442 660 R N -0.809 119.350 120.500 -0.569 0.000 2.073 660 R HA -0.094 4.244 4.340 -0.003 0.000 0.229 660 R C 2.271 178.385 176.300 -0.310 0.000 1.120 660 R CA 0.941 56.614 56.100 -0.711 0.000 0.967 660 R CB -0.377 29.453 30.300 -0.783 0.000 0.862 660 R HN 0.112 nan 8.270 nan 0.000 0.436 661 V N 1.467 121.216 119.914 -0.276 0.000 2.343 661 V HA -0.232 3.887 4.120 -0.003 0.000 0.247 661 V C 2.155 178.162 176.094 -0.144 0.000 1.051 661 V CA 1.574 63.755 62.300 -0.199 0.000 1.036 661 V CB -0.392 31.302 31.823 -0.215 0.000 0.654 661 V HN 0.261 nan 8.190 nan 0.000 0.451 662 L N 0.831 121.950 121.223 -0.173 0.000 2.083 662 L HA -0.050 4.289 4.340 -0.003 0.000 0.209 662 L C 2.420 179.206 176.870 -0.140 0.000 1.083 662 L CA 2.337 57.054 54.840 -0.206 0.000 0.752 662 L CB -0.919 41.046 42.059 -0.157 0.000 0.899 662 L HN 0.204 nan 8.230 nan 0.000 0.433 663 A N -1.077 121.720 122.820 -0.038 0.000 1.902 663 A HA -0.315 4.004 4.320 -0.003 0.000 0.217 663 A C 2.286 179.876 177.584 0.010 0.000 1.181 663 A CA 1.894 53.954 52.037 0.038 0.000 0.623 663 A CB -1.111 17.989 19.000 0.167 0.000 0.818 663 A HN 0.761 nan 8.150 nan 0.000 0.443 664 H N -0.205 118.806 119.070 -0.099 0.000 2.293 664 H HA -0.036 4.519 4.556 -0.003 0.000 0.300 664 H C 1.766 177.025 175.328 -0.114 0.000 1.082 664 H CA 2.107 58.096 56.048 -0.097 0.000 1.308 664 H CB -0.243 29.447 29.762 -0.121 0.000 1.375 664 H HN 0.406 nan 8.280 nan 0.000 0.495 665 I N 0.190 120.667 120.570 -0.154 0.000 2.226 665 I HA -0.204 3.965 4.170 -0.003 0.000 0.245 665 I C 2.518 178.479 176.117 -0.261 0.000 1.100 665 I CA 1.161 62.309 61.300 -0.252 0.000 1.374 665 I CB -0.396 37.416 38.000 -0.313 0.000 1.057 665 I HN 0.454 nan 8.210 nan 0.000 0.413 666 A N -0.439 122.219 122.820 -0.270 0.000 2.169 666 A HA -0.043 4.276 4.320 -0.003 0.000 0.212 666 A C 1.010 178.569 177.584 -0.042 0.000 1.153 666 A CA 0.156 52.124 52.037 -0.114 0.000 0.756 666 A CB -0.313 18.643 19.000 -0.073 0.000 0.813 666 A HN 0.495 nan 8.150 nan 0.000 0.471 667 E N 0.608 120.759 120.200 -0.083 0.000 2.297 667 E HA -0.187 4.161 4.350 -0.003 0.000 0.228 667 E C -0.679 175.927 176.600 0.009 0.000 1.213 667 E CA 0.612 56.980 56.400 -0.053 0.000 0.712 667 E CB -1.192 28.467 29.700 -0.069 0.000 1.202 667 E HN 0.700 nan 8.360 nan 0.000 0.376 668 D N 0.653 121.079 120.400 0.043 0.000 2.325 668 D HA 0.000 4.638 4.640 -0.003 0.000 0.251 668 D C 0.792 177.150 176.300 0.096 0.000 1.196 668 D CA -0.253 53.804 54.000 0.096 0.000 0.866 668 D CB 0.742 41.637 40.800 0.158 0.000 1.101 668 D HN 0.048 nan 8.370 nan 0.000 0.476 669 D N 3.424 123.865 120.400 0.068 0.000 2.116 669 D HA -0.217 4.421 4.640 -0.003 0.000 0.193 669 D C 1.484 177.823 176.300 0.064 0.000 0.998 669 D CA 1.037 55.067 54.000 0.050 0.000 0.836 669 D CB 0.060 40.873 40.800 0.022 0.000 0.951 669 D HN 0.484 nan 8.370 nan 0.000 0.449 670 N N 0.412 119.159 118.700 0.077 0.000 2.084 670 N HA -0.136 4.602 4.740 -0.003 0.000 0.190 670 N C 1.751 177.377 175.510 0.193 0.000 1.030 670 N CA 0.588 53.682 53.050 0.074 0.000 0.849 670 N CB -0.419 38.022 38.487 -0.077 0.000 1.012 670 N HN 0.061 nan 8.380 nan 0.000 0.423 671 L N 0.412 121.818 121.223 0.304 0.000 2.093 671 L HA 0.055 4.393 4.340 -0.003 0.000 0.208 671 L C 2.176 179.126 176.870 0.133 0.000 1.085 671 L CA 1.440 56.375 54.840 0.158 0.000 0.755 671 L CB -0.493 41.596 42.059 0.050 0.000 0.904 671 L HN 0.276 nan 8.230 nan 0.000 0.435 672 M N -1.178 118.513 119.600 0.151 0.000 2.132 672 M HA -0.192 4.287 4.480 -0.003 0.000 0.263 672 M C 2.157 178.530 176.300 0.123 0.000 1.065 672 M CA 1.782 57.179 55.300 0.162 0.000 1.122 672 M CB -0.391 32.272 32.600 0.104 0.000 1.365 672 M HN 0.234 nan 8.290 nan 0.000 0.411 673 E N 0.973 121.215 120.200 0.070 0.000 2.077 673 E HA -0.139 4.209 4.350 -0.003 0.000 0.193 673 E C 1.847 178.450 176.600 0.006 0.000 0.989 673 E CA 1.862 58.284 56.400 0.036 0.000 0.800 673 E CB -0.191 29.518 29.700 0.016 0.000 0.746 673 E HN 0.380 nan 8.360 nan 0.000 0.452 674 A N -0.245 122.546 122.820 -0.048 0.000 1.892 674 A HA -0.176 4.142 4.320 -0.003 0.000 0.218 674 A C 2.054 179.503 177.584 -0.225 0.000 1.188 674 A CA 1.744 53.672 52.037 -0.182 0.000 0.631 674 A CB -0.959 17.851 19.000 -0.317 0.000 0.822 674 A HN 0.387 nan 8.150 nan 0.000 0.447 675 F N -0.674 119.280 119.950 0.006 0.000 2.367 675 F HA 0.071 4.597 4.527 -0.003 0.000 0.298 675 F C 2.415 178.217 175.800 0.002 0.000 1.094 675 F CA 0.994 58.991 58.000 -0.005 0.000 1.409 675 F CB -0.308 38.683 39.000 -0.015 0.000 1.064 675 F HN 0.089 nan 8.300 nan 0.000 0.528 676 R N -0.150 120.450 120.500 0.166 0.000 2.189 676 R HA -0.038 4.301 4.340 -0.003 0.000 0.223 676 R C 1.764 178.105 176.300 0.068 0.000 1.092 676 R CA 0.820 56.981 56.100 0.102 0.000 0.989 676 R CB -0.147 30.197 30.300 0.073 0.000 0.876 676 R HN 0.211 nan 8.270 nan 0.000 0.457 677 R N 0.123 120.651 120.500 0.048 0.000 2.334 677 R HA -0.010 4.329 4.340 -0.003 0.000 0.216 677 R C -0.159 176.158 176.300 0.028 0.000 0.905 677 R CA 0.143 56.257 56.100 0.023 0.000 1.064 677 R CB 0.204 30.502 30.300 -0.004 0.000 1.046 677 R HN 0.046 nan 8.270 nan 0.000 0.508 678 D N 1.087 121.525 120.400 0.064 0.000 2.708 678 D HA -0.174 4.465 4.640 -0.003 0.000 0.236 678 D C -0.714 175.601 176.300 0.025 0.000 1.146 678 D CA 0.539 54.589 54.000 0.083 0.000 0.662 678 D CB -0.951 39.892 40.800 0.072 0.000 1.059 678 D HN 0.185 nan 8.370 nan 0.000 0.428 679 L N -0.067 121.134 121.223 -0.037 0.000 2.466 679 L HA 0.203 4.541 4.340 -0.003 0.000 0.257 679 L C 1.231 178.054 176.870 -0.080 0.000 1.189 679 L CA -0.340 54.460 54.840 -0.066 0.000 0.813 679 L CB 0.329 42.325 42.059 -0.106 0.000 1.118 679 L HN 0.145 nan 8.230 nan 0.000 0.471 680 D N 1.293 121.658 120.400 -0.058 0.000 2.344 680 D HA -0.014 4.624 4.640 -0.003 0.000 0.253 680 D C 0.838 177.066 176.300 -0.120 0.000 1.255 680 D CA -0.248 53.720 54.000 -0.054 0.000 0.894 680 D CB 1.110 41.907 40.800 -0.006 0.000 1.067 680 D HN 0.389 nan 8.370 nan 0.000 0.492 681 I N 5.431 125.865 120.570 -0.226 0.000 2.454 681 I HA -0.254 3.914 4.170 -0.003 0.000 0.254 681 I C 1.778 177.768 176.117 -0.211 0.000 1.156 681 I CA 1.432 62.541 61.300 -0.317 0.000 1.433 681 I CB -0.275 37.487 38.000 -0.397 0.000 1.082 681 I HN 0.507 nan 8.210 nan 0.000 0.432 682 H N -0.751 118.325 119.070 0.010 0.000 2.403 682 H HA 0.021 4.575 4.556 -0.003 0.000 0.298 682 H C 2.183 177.528 175.328 0.028 0.000 1.059 682 H CA 1.761 57.826 56.048 0.029 0.000 1.363 682 H CB -0.827 28.958 29.762 0.039 0.000 1.410 682 H HN 0.278 nan 8.280 nan 0.000 0.528 683 T N 1.460 116.084 114.554 0.116 0.000 2.777 683 T HA -0.098 4.250 4.350 -0.003 0.000 0.266 683 T C 2.142 176.871 174.700 0.049 0.000 1.040 683 T CA 0.914 63.060 62.100 0.077 0.000 1.141 683 T CB 0.198 69.094 68.868 0.046 0.000 0.868 683 T HN 0.109 nan 8.240 nan 0.000 0.444 684 K N 1.119 121.527 120.400 0.013 0.000 2.026 684 K HA -0.070 4.249 4.320 -0.003 0.000 0.208 684 K C 2.383 179.010 176.600 0.044 0.000 1.048 684 K CA 1.536 57.823 56.287 0.001 0.000 0.929 684 K CB -0.922 31.548 32.500 -0.051 0.000 0.713 684 K HN 0.303 nan 8.250 nan 0.000 0.439 685 T N 1.047 115.651 114.554 0.084 0.000 2.746 685 T HA -0.121 4.227 4.350 -0.003 0.000 0.267 685 T C 1.861 176.576 174.700 0.025 0.000 1.039 685 T CA 1.518 63.704 62.100 0.143 0.000 1.142 685 T CB -0.260 68.723 68.868 0.192 0.000 0.866 685 T HN 0.364 nan 8.240 nan 0.000 0.444 686 A N 1.421 124.267 122.820 0.043 0.000 1.877 686 A HA -0.058 4.261 4.320 -0.003 0.000 0.216 686 A C 2.346 179.974 177.584 0.073 0.000 1.186 686 A CA 1.587 53.663 52.037 0.065 0.000 0.620 686 A CB -0.742 18.385 19.000 0.213 0.000 0.822 686 A HN 0.447 nan 8.150 nan 0.000 0.443 687 M N -0.429 119.208 119.600 0.061 0.000 2.106 687 M HA -0.203 4.276 4.480 -0.003 0.000 0.259 687 M C 1.514 177.802 176.300 -0.021 0.000 1.068 687 M CA 1.847 57.170 55.300 0.039 0.000 1.100 687 M CB -0.503 32.103 32.600 0.010 0.000 1.351 687 M HN 0.381 nan 8.290 nan 0.000 0.404 688 D N 0.407 120.754 120.400 -0.089 0.000 2.110 688 D HA -0.066 4.572 4.640 -0.003 0.000 0.202 688 D C 1.905 178.081 176.300 -0.205 0.000 0.975 688 D CA 1.479 55.373 54.000 -0.177 0.000 0.839 688 D CB -0.412 40.204 40.800 -0.307 0.000 0.996 688 D HN 0.522 nan 8.370 nan 0.000 0.464 689 I N -2.181 118.213 120.570 -0.294 0.000 2.493 689 I HA -0.138 4.031 4.170 -0.003 0.000 0.254 689 I C 1.249 177.114 176.117 -0.419 0.000 1.160 689 I CA 1.233 62.292 61.300 -0.402 0.000 1.445 689 I CB -0.363 37.294 38.000 -0.572 0.000 1.086 689 I HN -0.227 nan 8.210 nan 0.000 0.433 690 F N 1.555 121.490 119.950 -0.024 0.000 2.695 690 F HA 0.287 4.812 4.527 -0.003 0.000 0.303 690 F C 0.627 176.421 175.800 -0.010 0.000 1.091 690 F CA -0.794 57.199 58.000 -0.011 0.000 1.300 690 F CB -0.617 38.366 39.000 -0.027 0.000 1.071 690 F HN 0.141 nan 8.300 nan 0.000 0.578 691 Q N 0.569 120.421 119.800 0.087 0.000 2.447 691 Q HA -0.118 4.220 4.340 -0.003 0.000 0.348 691 Q C -0.610 175.427 176.000 0.061 0.000 1.421 691 Q CA 0.523 56.353 55.803 0.045 0.000 0.978 691 Q CB -1.878 26.883 28.738 0.038 0.000 1.191 691 Q HN 0.320 nan 8.270 nan 0.000 0.371 692 V N -3.508 116.445 119.914 0.065 0.000 3.160 692 V HA 0.886 5.005 4.120 -0.003 0.000 0.310 692 V C 0.346 176.459 176.094 0.031 0.000 1.181 692 V CA -0.502 61.828 62.300 0.051 0.000 1.047 692 V CB 2.243 34.107 31.823 0.069 0.000 1.068 692 V HN 0.404 nan 8.190 nan 0.000 0.441 693 S N -0.473 115.238 115.700 0.019 0.000 2.645 693 S HA 0.346 4.814 4.470 -0.003 0.000 0.266 693 S C 0.921 175.530 174.600 0.014 0.000 1.258 693 S CA 0.498 58.703 58.200 0.010 0.000 0.990 693 S CB 1.159 64.361 63.200 0.004 0.000 0.967 693 S HN 1.045 nan 8.310 nan 0.000 0.556 694 E N 0.492 120.697 120.200 0.008 0.000 2.097 694 E HA -0.248 4.101 4.350 -0.003 0.000 0.196 694 E C 0.842 177.449 176.600 0.011 0.000 1.000 694 E CA 1.785 58.192 56.400 0.011 0.000 0.804 694 E CB -0.222 29.480 29.700 0.004 0.000 0.740 694 E HN 0.710 nan 8.360 nan 0.000 0.454 695 D N 0.082 120.486 120.400 0.006 0.000 2.310 695 D HA -0.110 4.528 4.640 -0.003 0.000 0.212 695 D C 1.155 177.456 176.300 0.002 0.000 0.965 695 D CA 0.756 54.758 54.000 0.003 0.000 0.879 695 D CB -0.016 40.784 40.800 0.000 0.000 0.921 695 D HN 0.393 nan 8.370 nan 0.000 0.510 696 E N 0.204 120.408 120.200 0.006 0.000 2.478 696 E HA 0.035 4.383 4.350 -0.003 0.000 0.194 696 E C 0.237 176.838 176.600 0.001 0.000 1.045 696 E CA -0.086 56.315 56.400 0.002 0.000 0.868 696 E CB 0.812 30.516 29.700 0.008 0.000 0.885 696 E HN -0.016 nan 8.360 nan 0.000 0.505 697 V N 3.233 123.156 119.914 0.015 0.000 2.446 697 V HA -0.003 4.115 4.120 -0.003 0.000 0.276 697 V C 0.742 176.835 176.094 -0.001 0.000 1.030 697 V CA 0.027 62.340 62.300 0.022 0.000 1.033 697 V CB 0.354 32.206 31.823 0.048 0.000 0.993 697 V HN 0.221 nan 8.190 nan 0.000 0.477 698 T N 3.650 118.187 114.554 -0.028 0.000 2.874 698 T HA 0.352 4.700 4.350 -0.003 0.000 0.281 698 T C -1.673 173.011 174.700 -0.026 0.000 0.994 698 T CA -1.890 60.189 62.100 -0.035 0.000 1.015 698 T CB 1.517 70.348 68.868 -0.062 0.000 1.028 698 T HN 0.354 nan 8.240 nan 0.000 0.523 699 P HA -0.084 nan 4.420 nan 0.000 0.216 699 P C 1.423 178.708 177.300 -0.025 0.000 1.150 699 P CA 0.929 64.017 63.100 -0.019 0.000 0.837 699 P CB -0.015 31.672 31.700 -0.021 0.000 0.786 700 N N -1.312 117.364 118.700 -0.040 0.000 2.188 700 N HA -0.090 4.649 4.740 -0.003 0.000 0.184 700 N C 1.618 177.097 175.510 -0.052 0.000 1.018 700 N CA 1.219 54.242 53.050 -0.046 0.000 0.858 700 N CB -0.573 37.880 38.487 -0.056 0.000 0.989 700 N HN 0.022 nan 8.380 nan 0.000 0.426 701 M N -0.391 119.160 119.600 -0.082 0.000 2.117 701 M HA -0.106 4.373 4.480 -0.003 0.000 0.262 701 M C 2.275 178.639 176.300 0.106 0.000 1.065 701 M CA 1.213 56.475 55.300 -0.063 0.000 1.114 701 M CB -0.144 32.373 32.600 -0.137 0.000 1.361 701 M HN 0.132 nan 8.290 nan 0.000 0.408 702 R N 0.341 120.876 120.500 0.060 0.000 2.092 702 R HA -0.142 4.197 4.340 -0.003 0.000 0.231 702 R C 2.302 178.614 176.300 0.020 0.000 1.119 702 R CA 1.459 57.600 56.100 0.069 0.000 0.970 702 R CB -0.175 30.157 30.300 0.053 0.000 0.864 702 R HN 0.266 nan 8.270 nan 0.000 0.440 703 R N 0.418 120.912 120.500 -0.009 0.000 2.091 703 R HA -0.173 4.166 4.340 -0.003 0.000 0.238 703 R C 2.072 178.351 176.300 -0.035 0.000 1.136 703 R CA 2.034 58.108 56.100 -0.043 0.000 0.959 703 R CB -0.052 30.226 30.300 -0.037 0.000 0.856 703 R HN 0.412 nan 8.270 nan 0.000 0.437 704 Q N -0.664 119.138 119.800 0.003 0.000 2.137 704 Q HA -0.026 4.312 4.340 -0.003 0.000 0.198 704 Q C 2.133 178.118 176.000 -0.025 0.000 0.960 704 Q CA 1.135 56.940 55.803 0.003 0.000 0.847 704 Q CB 0.036 28.780 28.738 0.009 0.000 0.915 704 Q HN 0.420 nan 8.270 nan 0.000 0.448 705 A N 1.831 124.661 122.820 0.016 0.000 1.933 705 A HA -0.213 4.105 4.320 -0.003 0.000 0.218 705 A C 2.044 179.659 177.584 0.052 0.000 1.175 705 A CA 1.561 53.604 52.037 0.010 0.000 0.628 705 A CB -0.370 18.674 19.000 0.074 0.000 0.814 705 A HN 0.201 nan 8.150 nan 0.000 0.444 706 K N -0.276 120.107 120.400 -0.029 0.000 2.057 706 K HA -0.060 4.259 4.320 -0.003 0.000 0.207 706 K C 2.103 178.668 176.600 -0.059 0.000 1.049 706 K CA 1.157 57.300 56.287 -0.240 0.000 0.931 706 K CB -0.311 31.874 32.500 -0.525 0.000 0.714 706 K HN 0.358 nan 8.250 nan 0.000 0.440 707 A N 0.542 123.345 122.820 -0.027 0.000 1.933 707 A HA -0.084 4.234 4.320 -0.003 0.000 0.218 707 A C 2.162 179.812 177.584 0.110 0.000 1.175 707 A CA 1.439 53.496 52.037 0.033 0.000 0.628 707 A CB -0.443 18.560 19.000 0.005 0.000 0.814 707 A HN 0.174 nan 8.150 nan 0.000 0.444 708 V N 0.846 120.790 119.914 0.051 0.000 2.358 708 V HA -0.211 3.907 4.120 -0.003 0.000 0.246 708 V C 2.204 178.266 176.094 -0.053 0.000 1.047 708 V CA 1.960 64.256 62.300 -0.007 0.000 1.035 708 V CB -0.889 30.896 31.823 -0.062 0.000 0.658 708 V HN 0.534 nan 8.190 nan 0.000 0.452 709 N N -0.210 118.510 118.700 0.033 0.000 2.244 709 N HA -0.137 4.601 4.740 -0.003 0.000 0.183 709 N C 1.670 177.223 175.510 0.072 0.000 1.016 709 N CA 1.367 54.441 53.050 0.041 0.000 0.866 709 N CB -0.407 38.219 38.487 0.231 0.000 0.980 709 N HN 0.551 nan 8.380 nan 0.000 0.430 710 F N 1.451 121.425 119.950 0.040 0.000 2.102 710 F HA -0.037 4.489 4.527 -0.003 0.000 0.298 710 F C 2.233 178.100 175.800 0.112 0.000 1.105 710 F CA 1.635 59.714 58.000 0.132 0.000 1.239 710 F CB -0.565 38.521 39.000 0.142 0.000 0.991 710 F HN 0.010 nan 8.300 nan 0.000 0.474 711 G N 0.911 109.863 108.800 0.255 0.000 2.432 711 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.219 711 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.219 711 G C 1.595 176.465 174.900 -0.050 0.000 1.135 711 G CA 1.075 46.254 45.100 0.130 0.000 0.767 711 G HN 0.376 nan 8.290 nan 0.000 0.550 712 I N 0.668 121.152 120.570 -0.143 0.000 2.277 712 I HA -0.046 4.122 4.170 -0.003 0.000 0.243 712 I C 2.890 178.869 176.117 -0.230 0.000 1.094 712 I CA 0.644 61.827 61.300 -0.194 0.000 1.393 712 I CB -1.005 36.819 38.000 -0.294 0.000 1.078 712 I HN 0.027 nan 8.210 nan 0.000 0.417 713 V N -0.003 119.693 119.914 -0.364 0.000 2.427 713 V HA -0.246 3.872 4.120 -0.003 0.000 0.248 713 V C 1.827 177.417 176.094 -0.839 0.000 1.051 713 V CA 1.659 63.583 62.300 -0.628 0.000 1.048 713 V CB -0.710 30.596 31.823 -0.861 0.000 0.666 713 V HN 0.329 nan 8.190 nan 0.000 0.456 714 Y N -0.131 119.976 120.300 -0.322 0.000 2.507 714 Y HA 0.504 5.053 4.550 -0.003 0.000 0.254 714 Y C 1.722 177.531 175.900 -0.151 0.000 1.171 714 Y CA -0.144 57.783 58.100 -0.288 0.000 1.238 714 Y CB -0.080 38.061 38.460 -0.533 0.000 1.148 714 Y HN 0.260 nan 8.280 nan 0.000 0.525 715 G N 2.174 110.942 108.800 -0.053 0.000 2.314 715 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.292 715 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.292 715 G C 0.248 175.169 174.900 0.034 0.000 1.059 715 G CA 0.490 45.578 45.100 -0.020 0.000 0.982 715 G HN 0.580 nan 8.290 nan 0.000 0.505 716 I N -1.410 119.210 120.570 0.084 0.000 2.713 716 I HA 0.754 4.923 4.170 -0.003 0.000 0.300 716 I C 0.820 177.012 176.117 0.126 0.000 1.009 716 I CA -0.366 61.019 61.300 0.142 0.000 1.305 716 I CB 1.421 39.548 38.000 0.213 0.000 1.430 716 I HN 0.358 nan 8.210 nan 0.000 0.546 717 S N 2.398 118.193 115.700 0.157 0.000 2.624 717 S HA 0.068 4.537 4.470 -0.003 0.000 0.263 717 S C 0.837 175.539 174.600 0.170 0.000 1.287 717 S CA -0.034 58.265 58.200 0.165 0.000 0.990 717 S CB 1.033 64.361 63.200 0.213 0.000 0.950 717 S HN 0.834 nan 8.310 nan 0.000 0.561 718 D N -0.065 120.440 120.400 0.176 0.000 2.263 718 D HA -0.220 4.418 4.640 -0.003 0.000 0.208 718 D C 1.394 177.807 176.300 0.188 0.000 0.971 718 D CA 1.134 55.230 54.000 0.161 0.000 0.867 718 D CB -0.511 40.385 40.800 0.159 0.000 0.929 718 D HN 0.674 nan 8.370 nan 0.000 0.492 719 Y N 1.796 122.157 120.300 0.102 0.000 2.263 719 Y HA 0.140 4.688 4.550 -0.003 0.000 0.292 719 Y C 2.586 178.542 175.900 0.093 0.000 1.130 719 Y CA 1.637 59.793 58.100 0.093 0.000 1.179 719 Y CB -0.451 38.071 38.460 0.102 0.000 0.998 719 Y HN 0.023 nan 8.280 nan 0.000 0.532 720 G N 0.203 109.046 108.800 0.072 0.000 2.422 720 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.218 720 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.218 720 G C 1.580 176.481 174.900 0.002 0.000 1.140 720 G CA 0.969 46.074 45.100 0.008 0.000 0.775 720 G HN 0.438 nan 8.290 nan 0.000 0.545 721 L N 1.324 122.580 121.223 0.055 0.000 2.027 721 L HA 0.207 4.545 4.340 -0.003 0.000 0.206 721 L C 3.049 179.933 176.870 0.024 0.000 1.074 721 L CA 2.074 56.957 54.840 0.071 0.000 0.745 721 L CB -0.773 41.349 42.059 0.105 0.000 0.898 721 L HN 0.216 nan 8.230 nan 0.000 0.433 722 A N -0.825 121.985 122.820 -0.017 0.000 1.865 722 A HA -0.303 4.015 4.320 -0.003 0.000 0.217 722 A C 2.167 179.687 177.584 -0.107 0.000 1.191 722 A CA 2.080 54.087 52.037 -0.050 0.000 0.623 722 A CB -0.773 18.193 19.000 -0.058 0.000 0.826 722 A HN 0.662 nan 8.150 nan 0.000 0.444 723 Q N -0.395 119.267 119.800 -0.230 0.000 2.112 723 Q HA -0.220 4.118 4.340 -0.003 0.000 0.206 723 Q C 1.980 177.919 176.000 -0.100 0.000 0.987 723 Q CA 1.767 57.447 55.803 -0.206 0.000 0.858 723 Q CB -0.366 28.204 28.738 -0.280 0.000 0.905 723 Q HN 0.805 nan 8.270 nan 0.000 0.420 724 N N 0.160 118.814 118.700 -0.076 0.000 2.142 724 N HA -0.093 4.645 4.740 -0.003 0.000 0.186 724 N C 1.366 176.853 175.510 -0.038 0.000 1.023 724 N CA 0.727 53.739 53.050 -0.063 0.000 0.852 724 N CB 0.056 38.509 38.487 -0.058 0.000 0.998 724 N HN 0.153 nan 8.380 nan 0.000 0.424 725 L N 0.591 121.815 121.223 0.002 0.000 2.592 725 L HA 0.135 4.473 4.340 -0.003 0.000 0.227 725 L C -0.099 176.790 176.870 0.031 0.000 1.127 725 L CA -0.035 54.830 54.840 0.042 0.000 0.884 725 L CB -0.163 41.973 42.059 0.128 0.000 1.065 725 L HN 0.189 nan 8.230 nan 0.000 0.457 726 N N 1.378 120.078 118.700 0.000 0.000 2.740 726 N HA -0.190 4.548 4.740 -0.003 0.000 0.248 726 N C -0.285 175.232 175.510 0.013 0.000 1.062 726 N CA 1.354 54.404 53.050 0.000 0.000 0.704 726 N CB -1.388 37.103 38.487 0.006 0.000 0.968 726 N HN 0.565 nan 8.380 nan 0.000 0.547 727 I N -4.050 116.526 120.570 0.010 0.000 3.516 727 I HA 0.635 4.804 4.170 -0.003 0.000 0.297 727 I C 0.608 176.723 176.117 -0.003 0.000 1.139 727 I CA -1.018 60.288 61.300 0.009 0.000 1.020 727 I CB 1.788 39.797 38.000 0.015 0.000 1.341 727 I HN 0.014 nan 8.210 nan 0.000 0.490 728 S N 0.668 116.362 115.700 -0.010 0.000 2.616 728 S HA 0.389 4.858 4.470 -0.003 0.000 0.277 728 S C 0.915 175.524 174.600 0.015 0.000 1.234 728 S CA -0.626 57.582 58.200 0.013 0.000 1.028 728 S CB 1.854 65.060 63.200 0.010 0.000 0.988 728 S HN 0.859 nan 8.310 nan 0.000 0.522 729 R N 1.917 122.464 120.500 0.078 0.000 2.094 729 R HA -0.195 4.143 4.340 -0.003 0.000 0.239 729 R C 2.149 178.477 176.300 0.046 0.000 1.137 729 R CA 2.261 58.427 56.100 0.109 0.000 0.943 729 R CB -0.616 29.792 30.300 0.181 0.000 0.850 729 R HN 0.933 nan 8.270 nan 0.000 0.433 730 K N -0.038 120.378 120.400 0.026 0.000 2.103 730 K HA -0.171 4.148 4.320 -0.003 0.000 0.207 730 K C 1.782 178.344 176.600 -0.063 0.000 1.048 730 K CA 1.878 58.163 56.287 -0.002 0.000 0.930 730 K CB -0.238 32.262 32.500 -0.001 0.000 0.716 730 K HN 0.351 nan 8.250 nan 0.000 0.444 731 E N 0.819 120.952 120.200 -0.111 0.000 2.107 731 E HA -0.094 4.254 4.350 -0.003 0.000 0.191 731 E C 2.165 178.511 176.600 -0.423 0.000 0.982 731 E CA 0.872 57.111 56.400 -0.269 0.000 0.809 731 E CB -0.072 29.481 29.700 -0.245 0.000 0.756 731 E HN 0.498 nan 8.360 nan 0.000 0.459 732 A N 1.373 124.072 122.820 -0.202 0.000 1.898 732 A HA -0.061 4.257 4.320 -0.003 0.000 0.216 732 A C 2.371 179.941 177.584 -0.024 0.000 1.181 732 A CA 1.501 53.483 52.037 -0.091 0.000 0.620 732 A CB -0.561 18.454 19.000 0.026 0.000 0.819 732 A HN 0.285 nan 8.150 nan 0.000 0.442 733 A N -0.344 122.476 122.820 -0.001 0.000 1.972 733 A HA -0.139 4.180 4.320 -0.003 0.000 0.219 733 A C 1.927 179.536 177.584 0.041 0.000 1.169 733 A CA 2.133 54.201 52.037 0.051 0.000 0.635 733 A CB -0.414 18.627 19.000 0.069 0.000 0.810 733 A HN 0.541 nan 8.150 nan 0.000 0.446 734 E N -0.446 119.731 120.200 -0.038 0.000 2.077 734 E HA -0.139 4.210 4.350 -0.003 0.000 0.193 734 E C 1.514 178.174 176.600 0.101 0.000 0.989 734 E CA 1.335 57.725 56.400 -0.017 0.000 0.800 734 E CB -0.436 29.189 29.700 -0.125 0.000 0.746 734 E HN 0.508 nan 8.360 nan 0.000 0.452 735 F N 0.574 120.549 119.950 0.042 0.000 2.102 735 F HA -0.122 4.403 4.527 -0.003 0.000 0.298 735 F C 2.216 177.996 175.800 -0.034 0.000 1.105 735 F CA 0.596 58.599 58.000 0.006 0.000 1.239 735 F CB -0.811 38.200 39.000 0.018 0.000 0.991 735 F HN 0.094 nan 8.300 nan 0.000 0.474 736 I N 0.346 120.998 120.570 0.136 0.000 2.151 736 I HA -0.320 3.848 4.170 -0.003 0.000 0.243 736 I C 2.435 178.480 176.117 -0.119 0.000 1.080 736 I CA 1.743 62.984 61.300 -0.099 0.000 1.339 736 I CB -1.405 36.562 38.000 -0.055 0.000 1.039 736 I HN 0.295 nan 8.210 nan 0.000 0.409 737 E N 0.967 121.222 120.200 0.092 0.000 2.085 737 E HA -0.234 4.114 4.350 -0.003 0.000 0.194 737 E C 2.367 179.065 176.600 0.162 0.000 0.994 737 E CA 1.115 57.631 56.400 0.192 0.000 0.801 737 E CB 0.056 29.854 29.700 0.164 0.000 0.743 737 E HN 0.309 nan 8.360 nan 0.000 0.453 738 R N -0.279 120.294 120.500 0.123 0.000 2.096 738 R HA -0.165 4.174 4.340 -0.003 0.000 0.235 738 R C 2.294 178.620 176.300 0.043 0.000 1.127 738 R CA 1.354 57.499 56.100 0.075 0.000 0.968 738 R CB -0.931 29.405 30.300 0.060 0.000 0.861 738 R HN 0.407 nan 8.270 nan 0.000 0.440 739 Y N 0.696 120.950 120.300 -0.077 0.000 2.165 739 Y HA -0.229 4.319 4.550 -0.003 0.000 0.286 739 Y C 1.897 177.850 175.900 0.089 0.000 1.155 739 Y CA 1.484 59.560 58.100 -0.041 0.000 1.164 739 Y CB -0.351 38.000 38.460 -0.181 0.000 0.978 739 Y HN -0.134 nan 8.280 nan 0.000 0.513 740 F N 0.761 120.900 119.950 0.315 0.000 2.293 740 F HA -0.100 4.425 4.527 -0.003 0.000 0.300 740 F C 2.200 178.031 175.800 0.053 0.000 1.086 740 F CA 1.312 59.441 58.000 0.215 0.000 1.375 740 F CB -0.773 38.346 39.000 0.199 0.000 1.045 740 F HN 0.186 nan 8.300 nan 0.000 0.516 741 E N -0.687 119.613 120.200 0.167 0.000 2.152 741 E HA -0.112 4.236 4.350 -0.003 0.000 0.192 741 E C 2.179 178.714 176.600 -0.108 0.000 0.983 741 E CA 1.302 57.724 56.400 0.038 0.000 0.818 741 E CB -0.176 29.535 29.700 0.020 0.000 0.758 741 E HN 0.216 nan 8.360 nan 0.000 0.467 742 S N -0.018 115.526 115.700 -0.259 0.000 2.446 742 S HA 0.049 4.517 4.470 -0.003 0.000 0.225 742 S C 0.260 174.300 174.600 -0.933 0.000 1.016 742 S CA 0.491 58.310 58.200 -0.634 0.000 0.943 742 S CB 0.203 62.883 63.200 -0.867 0.000 0.786 742 S HN 0.107 nan 8.310 nan 0.000 0.508 743 F N 1.515 121.337 119.950 -0.212 0.000 2.584 743 F HA 0.357 4.882 4.527 -0.003 0.000 0.328 743 F C -1.904 173.928 175.800 0.053 0.000 1.407 743 F CA -2.356 55.563 58.000 -0.134 0.000 1.145 743 F CB 1.110 39.928 39.000 -0.302 0.000 1.440 743 F HN -0.032 nan 8.300 nan 0.000 0.580 744 P HA -0.158 nan 4.420 nan 0.000 0.219 744 P C 1.698 179.071 177.300 0.123 0.000 1.146 744 P CA 1.543 64.713 63.100 0.115 0.000 0.808 744 P CB 0.342 32.068 31.700 0.044 0.000 0.779 745 G N 0.414 109.299 108.800 0.142 0.000 2.418 745 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.217 745 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.217 745 G C 1.730 176.739 174.900 0.182 0.000 1.158 745 G CA 0.686 45.864 45.100 0.129 0.000 0.771 745 G HN 0.183 nan 8.290 nan 0.000 0.545 746 V N 0.829 120.902 119.914 0.266 0.000 2.407 746 V HA -0.149 3.969 4.120 -0.003 0.000 0.248 746 V C 2.657 178.934 176.094 0.306 0.000 1.055 746 V CA 2.177 64.687 62.300 0.349 0.000 1.049 746 V CB -0.369 31.749 31.823 0.493 0.000 0.662 746 V HN 0.419 nan 8.190 nan 0.000 0.455 747 K N 0.427 120.941 120.400 0.190 0.000 2.026 747 K HA -0.230 4.088 4.320 -0.003 0.000 0.208 747 K C 2.439 178.948 176.600 -0.153 0.000 1.048 747 K CA 1.752 57.893 56.287 -0.243 0.000 0.929 747 K CB -0.201 32.134 32.500 -0.275 0.000 0.713 747 K HN 0.326 nan 8.250 nan 0.000 0.439 748 R N -0.229 120.256 120.500 -0.026 0.000 2.083 748 R HA -0.233 4.106 4.340 -0.003 0.000 0.237 748 R C 2.397 178.690 176.300 -0.011 0.000 1.137 748 R CA 1.967 58.054 56.100 -0.022 0.000 0.951 748 R CB -0.610 29.702 30.300 0.020 0.000 0.851 748 R HN 0.362 nan 8.270 nan 0.000 0.434 749 Y N 0.945 121.224 120.300 -0.036 0.000 2.128 749 Y HA -0.249 4.299 4.550 -0.003 0.000 0.284 749 Y C 2.155 178.027 175.900 -0.047 0.000 1.154 749 Y CA 1.895 59.976 58.100 -0.032 0.000 1.149 749 Y CB -0.220 38.237 38.460 -0.004 0.000 0.976 749 Y HN 0.035 nan 8.280 nan 0.000 0.505 750 M N 0.606 120.033 119.600 -0.288 0.000 2.080 750 M HA -0.219 4.260 4.480 -0.003 0.000 0.260 750 M C 1.994 178.093 176.300 -0.335 0.000 1.068 750 M CA 1.927 57.008 55.300 -0.365 0.000 1.109 750 M CB -1.237 31.272 32.600 -0.151 0.000 1.342 750 M HN 0.439 nan 8.290 nan 0.000 0.405 751 E N 0.005 120.051 120.200 -0.256 0.000 2.047 751 E HA -0.147 4.201 4.350 -0.003 0.000 0.191 751 E C 1.811 178.298 176.600 -0.189 0.000 0.987 751 E CA 1.174 57.457 56.400 -0.196 0.000 0.799 751 E CB -0.315 29.290 29.700 -0.157 0.000 0.752 751 E HN 0.653 nan 8.360 nan 0.000 0.449 752 N N 0.625 119.209 118.700 -0.194 0.000 2.120 752 N HA -0.145 4.593 4.740 -0.003 0.000 0.188 752 N C 1.975 177.360 175.510 -0.207 0.000 1.024 752 N CA 0.513 53.465 53.050 -0.162 0.000 0.852 752 N CB -0.045 38.378 38.487 -0.107 0.000 1.003 752 N HN 0.034 nan 8.380 nan 0.000 0.424 753 I N 0.873 121.233 120.570 -0.350 0.000 2.252 753 I HA -0.173 3.995 4.170 -0.003 0.000 0.245 753 I C 1.923 177.893 176.117 -0.246 0.000 1.102 753 I CA 0.898 61.991 61.300 -0.345 0.000 1.385 753 I CB -0.110 37.519 38.000 -0.618 0.000 1.064 753 I HN -0.097 nan 8.210 nan 0.000 0.414 754 V N 0.499 120.270 119.914 -0.239 0.000 2.343 754 V HA -0.341 3.777 4.120 -0.003 0.000 0.247 754 V C 2.471 178.488 176.094 -0.130 0.000 1.051 754 V CA 2.290 64.491 62.300 -0.165 0.000 1.036 754 V CB -0.817 30.919 31.823 -0.145 0.000 0.654 754 V HN 0.605 nan 8.190 nan 0.000 0.451 755 Q N 0.021 119.744 119.800 -0.129 0.000 2.079 755 Q HA -0.275 4.064 4.340 -0.003 0.000 0.200 755 Q C 2.317 178.253 176.000 -0.106 0.000 0.974 755 Q CA 2.185 57.928 55.803 -0.100 0.000 0.840 755 Q CB -0.204 28.479 28.738 -0.091 0.000 0.898 755 Q HN 0.771 nan 8.270 nan 0.000 0.430 756 E N -0.385 119.737 120.200 -0.130 0.000 2.110 756 E HA -0.203 4.145 4.350 -0.003 0.000 0.193 756 E C 1.795 178.286 176.600 -0.183 0.000 0.988 756 E CA 0.995 57.306 56.400 -0.149 0.000 0.804 756 E CB -0.170 29.437 29.700 -0.155 0.000 0.745 756 E HN 0.482 nan 8.360 nan 0.000 0.458 757 A N 1.217 123.938 122.820 -0.166 0.000 1.933 757 A HA -0.187 4.131 4.320 -0.003 0.000 0.218 757 A C 2.016 179.542 177.584 -0.098 0.000 1.175 757 A CA 1.614 53.561 52.037 -0.150 0.000 0.628 757 A CB -0.296 18.636 19.000 -0.113 0.000 0.814 757 A HN 0.160 nan 8.150 nan 0.000 0.444 758 K N -0.789 119.564 120.400 -0.079 0.000 2.103 758 K HA -0.119 4.199 4.320 -0.003 0.000 0.204 758 K C 2.384 178.960 176.600 -0.040 0.000 1.052 758 K CA 1.190 57.451 56.287 -0.043 0.000 0.945 758 K CB -0.094 32.383 32.500 -0.040 0.000 0.722 758 K HN 0.565 nan 8.250 nan 0.000 0.443 759 Q N 1.591 121.351 119.800 -0.067 0.000 2.020 759 Q HA -0.115 4.223 4.340 -0.003 0.000 0.198 759 Q C 1.545 177.508 176.000 -0.060 0.000 0.974 759 Q CA 1.562 57.331 55.803 -0.058 0.000 0.829 759 Q CB 0.243 28.939 28.738 -0.069 0.000 0.894 759 Q HN 0.203 nan 8.270 nan 0.000 0.433 760 K N -1.214 119.100 120.400 -0.143 0.000 2.243 760 K HA 0.062 4.380 4.320 -0.003 0.000 0.201 760 K C 1.135 177.726 176.600 -0.016 0.000 1.051 760 K CA 0.693 56.866 56.287 -0.190 0.000 0.970 760 K CB 0.331 32.453 32.500 -0.630 0.000 0.755 760 K HN 0.468 nan 8.250 nan 0.000 0.465 761 G N 1.083 109.878 108.800 -0.008 0.000 2.175 761 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.244 761 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.244 761 G C -0.136 174.928 174.900 0.274 0.000 0.982 761 G CA 0.613 45.823 45.100 0.183 0.000 0.641 761 G HN 0.401 nan 8.290 nan 0.000 0.527 762 Y N -2.155 118.129 120.300 -0.027 0.000 2.689 762 Y HA 0.744 5.292 4.550 -0.002 0.000 0.333 762 Y C -0.372 175.447 175.900 -0.134 0.000 1.208 762 Y CA -1.278 56.724 58.100 -0.163 0.000 1.055 762 Y CB 0.853 39.013 38.460 -0.500 0.000 1.304 762 Y HN 1.041 nan 8.280 nan 0.000 0.455 763 V N -0.871 119.033 119.914 -0.017 0.000 3.001 763 V HA 1.007 5.125 4.120 -0.003 0.000 0.314 763 V C -0.504 175.632 176.094 0.070 0.000 1.099 763 V CA -0.223 62.047 62.300 -0.050 0.000 0.989 763 V CB 1.345 33.139 31.823 -0.048 0.000 1.040 763 V HN 1.436 nan 8.190 nan 0.000 0.434 764 T N -0.790 113.797 114.554 0.056 0.000 2.901 764 T HA 0.809 5.158 4.350 -0.003 0.000 0.293 764 T C -0.045 174.667 174.700 0.020 0.000 1.084 764 T CA 0.006 62.147 62.100 0.068 0.000 1.008 764 T CB 1.708 70.659 68.868 0.139 0.000 1.170 764 T HN 1.544 nan 8.240 nan 0.000 0.509 765 T N -0.400 114.146 114.554 -0.014 0.000 2.923 765 T HA 0.485 4.833 4.350 -0.003 0.000 0.281 765 T C 1.313 175.939 174.700 -0.124 0.000 0.995 765 T CA -0.803 61.264 62.100 -0.055 0.000 0.985 765 T CB 1.038 69.870 68.868 -0.060 0.000 1.114 765 T HN 0.552 nan 8.240 nan 0.000 0.548 766 L N 0.384 121.525 121.223 -0.135 0.000 2.034 766 L HA 0.000 4.339 4.340 -0.003 0.000 0.217 766 L C 1.820 178.485 176.870 -0.342 0.000 1.077 766 L CA 1.830 56.557 54.840 -0.189 0.000 0.769 766 L CB -0.699 41.267 42.059 -0.155 0.000 0.890 766 L HN 0.707 nan 8.230 nan 0.000 0.435 767 L N -0.698 120.365 121.223 -0.267 0.000 2.728 767 L HA 0.123 4.462 4.340 -0.003 0.000 0.235 767 L C 0.168 176.916 176.870 -0.202 0.000 1.197 767 L CA -0.107 54.572 54.840 -0.268 0.000 0.992 767 L CB -0.590 41.410 42.059 -0.098 0.000 1.263 767 L HN 0.456 nan 8.230 nan 0.000 0.484 768 H N -1.379 117.685 119.070 -0.010 0.000 3.049 768 H HA -0.157 4.397 4.556 -0.003 0.000 0.250 768 H C 0.915 176.222 175.328 -0.035 0.000 1.219 768 H CA 0.415 56.456 56.048 -0.011 0.000 1.117 768 H CB -1.144 28.614 29.762 -0.007 0.000 1.251 768 H HN 0.445 nan 8.280 nan 0.000 0.338 769 R N 1.716 122.224 120.500 0.014 0.000 2.594 769 R HA 0.348 4.686 4.340 -0.003 0.000 0.272 769 R C 0.709 176.981 176.300 -0.048 0.000 1.074 769 R CA -0.127 55.951 56.100 -0.036 0.000 1.105 769 R CB 0.779 31.047 30.300 -0.055 0.000 1.008 769 R HN 0.459 nan 8.270 nan 0.000 0.472 770 R N 2.062 122.496 120.500 -0.110 0.000 2.837 770 R HA 0.501 4.839 4.340 -0.003 0.000 0.271 770 R C -1.304 174.886 176.300 -0.183 0.000 0.993 770 R CA -1.105 54.908 56.100 -0.145 0.000 0.931 770 R CB 1.652 31.777 30.300 -0.291 0.000 1.206 770 R HN 0.549 nan 8.270 nan 0.000 0.474 771 R N 2.198 122.600 120.500 -0.163 0.000 2.514 771 R HA 0.279 4.617 4.340 -0.003 0.000 0.296 771 R C -1.541 174.693 176.300 -0.109 0.000 1.012 771 R CA -0.662 55.379 56.100 -0.098 0.000 0.897 771 R CB 1.215 31.502 30.300 -0.021 0.000 1.184 771 R HN 0.670 nan 8.270 nan 0.000 0.440 772 Y N 4.158 124.506 120.300 0.081 0.000 2.319 772 Y HA 0.255 4.803 4.550 -0.002 0.000 0.328 772 Y C 0.372 176.325 175.900 0.089 0.000 1.133 772 Y CA -0.181 57.985 58.100 0.110 0.000 1.265 772 Y CB 1.162 39.662 38.460 0.066 0.000 1.218 772 Y HN 0.419 nan 8.280 nan 0.000 0.508 773 L N 6.523 127.877 121.223 0.219 0.000 2.637 773 L HA 0.256 4.594 4.340 -0.003 0.000 0.241 773 L C -1.637 175.311 176.870 0.130 0.000 1.398 773 L CA -1.356 53.567 54.840 0.139 0.000 0.895 773 L CB 0.988 43.086 42.059 0.066 0.000 1.183 773 L HN 0.516 nan 8.230 nan 0.000 0.497 774 P HA -0.184 nan 4.420 nan 0.000 0.218 774 P C 0.433 177.782 177.300 0.081 0.000 1.148 774 P CA 1.231 64.394 63.100 0.104 0.000 0.822 774 P CB 0.364 32.117 31.700 0.089 0.000 0.784 775 D N -0.651 119.803 120.400 0.090 0.000 2.378 775 D HA -0.039 4.599 4.640 -0.003 0.000 0.227 775 D C 1.662 177.998 176.300 0.059 0.000 1.012 775 D CA 0.170 54.218 54.000 0.080 0.000 0.905 775 D CB -0.607 40.260 40.800 0.111 0.000 0.895 775 D HN 0.168 nan 8.370 nan 0.000 0.532 776 I N 0.867 121.466 120.570 0.048 0.000 2.756 776 I HA -0.166 4.003 4.170 -0.003 0.000 0.262 776 I C 1.788 177.913 176.117 0.014 0.000 1.225 776 I CA 1.165 62.476 61.300 0.018 0.000 1.472 776 I CB -0.137 37.866 38.000 0.005 0.000 1.094 776 I HN -0.038 nan 8.210 nan 0.000 0.454 777 T N -3.635 110.935 114.554 0.026 0.000 3.092 777 T HA 0.202 4.551 4.350 -0.003 0.000 0.258 777 T C 0.931 175.648 174.700 0.030 0.000 1.031 777 T CA 0.036 62.150 62.100 0.024 0.000 0.925 777 T CB -0.456 68.427 68.868 0.026 0.000 1.036 777 T HN 0.174 nan 8.240 nan 0.000 0.544 778 S N 1.026 116.746 115.700 0.034 0.000 2.549 778 S HA 0.211 4.680 4.470 -0.003 0.000 0.286 778 S C 1.113 175.740 174.600 0.044 0.000 1.314 778 S CA -0.539 57.684 58.200 0.039 0.000 1.062 778 S CB 0.538 63.763 63.200 0.043 0.000 0.865 778 S HN 0.355 nan 8.310 nan 0.000 0.498 779 R N 2.645 123.174 120.500 0.048 0.000 2.313 779 R HA 0.200 4.538 4.340 -0.003 0.000 0.199 779 R C 0.457 176.805 176.300 0.080 0.000 0.958 779 R CA 0.124 56.259 56.100 0.059 0.000 1.047 779 R CB -0.276 30.052 30.300 0.047 0.000 0.955 779 R HN 0.529 nan 8.270 nan 0.000 0.481 780 N N 0.466 119.213 118.700 0.077 0.000 2.439 780 N HA -0.050 4.688 4.740 -0.003 0.000 0.249 780 N C 0.413 176.002 175.510 0.131 0.000 1.003 780 N CA -0.081 53.029 53.050 0.099 0.000 0.942 780 N CB 0.412 38.941 38.487 0.069 0.000 1.115 780 N HN -0.051 nan 8.380 nan 0.000 0.505 781 F N 5.414 125.379 119.950 0.026 0.000 2.045 781 F HA -0.311 4.215 4.527 -0.003 0.000 0.297 781 F C 1.730 177.559 175.800 0.048 0.000 1.114 781 F CA 1.885 59.904 58.000 0.032 0.000 1.207 781 F CB -0.127 38.885 39.000 0.020 0.000 0.964 781 F HN 0.544 nan 8.300 nan 0.000 0.486 782 N N 0.299 119.074 118.700 0.125 0.000 2.104 782 N HA -0.165 4.574 4.740 -0.003 0.000 0.190 782 N C 2.033 177.545 175.510 0.004 0.000 1.024 782 N CA 1.794 54.862 53.050 0.031 0.000 0.853 782 N CB -0.872 37.672 38.487 0.094 0.000 1.008 782 N HN 0.283 nan 8.380 nan 0.000 0.424 783 V N 1.312 121.242 119.914 0.026 0.000 2.358 783 V HA -0.154 3.964 4.120 -0.003 0.000 0.246 783 V C 2.558 178.689 176.094 0.061 0.000 1.047 783 V CA 1.430 63.759 62.300 0.048 0.000 1.035 783 V CB -0.440 31.408 31.823 0.041 0.000 0.658 783 V HN 0.281 nan 8.190 nan 0.000 0.452 784 R N 0.076 120.570 120.500 -0.009 0.000 2.075 784 R HA -0.135 4.203 4.340 -0.003 0.000 0.232 784 R C 2.494 178.735 176.300 -0.098 0.000 1.126 784 R CA 1.759 57.836 56.100 -0.039 0.000 0.963 784 R CB -0.285 29.982 30.300 -0.054 0.000 0.858 784 R HN 0.493 nan 8.270 nan 0.000 0.435 785 S N 0.441 115.999 115.700 -0.237 0.000 2.383 785 S HA -0.173 4.295 4.470 -0.003 0.000 0.229 785 S C 1.417 175.974 174.600 -0.071 0.000 1.030 785 S CA 1.415 59.453 58.200 -0.269 0.000 1.002 785 S CB -0.400 62.505 63.200 -0.492 0.000 0.829 785 S HN 0.396 nan 8.310 nan 0.000 0.467 786 F N 2.438 122.324 119.950 -0.106 0.000 2.134 786 F HA -0.057 4.469 4.527 -0.003 0.000 0.299 786 F C 2.307 178.093 175.800 -0.024 0.000 1.097 786 F CA 1.007 58.984 58.000 -0.037 0.000 1.264 786 F CB -0.676 38.317 39.000 -0.011 0.000 1.001 786 F HN 0.173 nan 8.300 nan 0.000 0.479 787 A N 0.009 122.847 122.820 0.031 0.000 1.933 787 A HA -0.173 4.145 4.320 -0.003 0.000 0.218 787 A C 2.099 179.607 177.584 -0.126 0.000 1.175 787 A CA 1.764 53.775 52.037 -0.044 0.000 0.628 787 A CB -0.791 18.239 19.000 0.051 0.000 0.814 787 A HN 0.565 nan 8.150 nan 0.000 0.444 788 E N -0.528 119.602 120.200 -0.117 0.000 2.106 788 E HA -0.154 4.194 4.350 -0.003 0.000 0.192 788 E C 2.284 178.798 176.600 -0.144 0.000 0.984 788 E CA 0.905 57.232 56.400 -0.121 0.000 0.806 788 E CB -0.154 29.482 29.700 -0.107 0.000 0.750 788 E HN 0.526 nan 8.360 nan 0.000 0.458 789 R N -0.042 120.350 120.500 -0.179 0.000 2.092 789 R HA -0.017 4.321 4.340 -0.003 0.000 0.231 789 R C 2.214 178.387 176.300 -0.211 0.000 1.119 789 R CA 0.905 56.903 56.100 -0.171 0.000 0.970 789 R CB -0.014 30.185 30.300 -0.168 0.000 0.864 789 R HN 0.154 nan 8.270 nan 0.000 0.440 790 M N -0.187 119.220 119.600 -0.322 0.000 2.229 790 M HA -0.019 4.459 4.480 -0.003 0.000 0.264 790 M C 2.287 178.504 176.300 -0.138 0.000 1.063 790 M CA 1.143 56.285 55.300 -0.265 0.000 1.114 790 M CB -0.828 31.571 32.600 -0.334 0.000 1.387 790 M HN 0.138 nan 8.290 nan 0.000 0.420 791 A N -0.039 122.702 122.820 -0.131 0.000 1.898 791 A HA -0.121 4.198 4.320 -0.003 0.000 0.216 791 A C 2.244 179.771 177.584 -0.095 0.000 1.181 791 A CA 1.367 53.342 52.037 -0.104 0.000 0.620 791 A CB -0.436 18.492 19.000 -0.120 0.000 0.819 791 A HN 0.456 nan 8.150 nan 0.000 0.442 792 M N -0.892 118.646 119.600 -0.103 0.000 2.123 792 M HA -0.092 4.386 4.480 -0.003 0.000 0.263 792 M C 2.199 178.550 176.300 0.084 0.000 1.069 792 M CA 1.516 56.782 55.300 -0.056 0.000 1.133 792 M CB -0.411 32.160 32.600 -0.048 0.000 1.356 792 M HN 0.541 nan 8.290 nan 0.000 0.415 793 N N -0.411 118.291 118.700 0.002 0.000 2.300 793 N HA -0.095 4.643 4.740 -0.003 0.000 0.179 793 N C 1.360 176.862 175.510 -0.013 0.000 1.016 793 N CA 1.361 54.404 53.050 -0.012 0.000 0.876 793 N CB 0.175 38.629 38.487 -0.056 0.000 0.979 793 N HN 0.254 nan 8.380 nan 0.000 0.432 794 T N 1.468 116.012 114.554 -0.015 0.000 2.746 794 T HA -0.046 4.302 4.350 -0.003 0.000 0.267 794 T C -1.056 173.643 174.700 -0.002 0.000 1.039 794 T CA 1.015 63.109 62.100 -0.010 0.000 1.142 794 T CB -0.917 67.942 68.868 -0.016 0.000 0.866 794 T HN 0.377 nan 8.240 nan 0.000 0.444 795 P HA 0.089 nan 4.420 nan 0.000 0.221 795 P C 1.270 178.553 177.300 -0.027 0.000 1.150 795 P CA 0.723 63.837 63.100 0.023 0.000 0.800 795 P CB -0.089 31.677 31.700 0.110 0.000 0.787 796 I N -0.847 119.703 120.570 -0.033 0.000 2.130 796 I HA -0.220 3.949 4.170 -0.003 0.000 0.234 796 I C 2.485 178.541 176.117 -0.103 0.000 1.067 796 I CA 1.405 62.647 61.300 -0.097 0.000 1.339 796 I CB -0.758 37.177 38.000 -0.108 0.000 1.073 796 I HN -0.083 nan 8.210 nan 0.000 0.405 797 Q N 0.698 120.449 119.800 -0.082 0.000 2.084 797 Q HA -0.137 4.202 4.340 -0.003 0.000 0.202 797 Q C 2.299 178.278 176.000 -0.035 0.000 0.978 797 Q CA 1.653 57.421 55.803 -0.058 0.000 0.844 797 Q CB -0.456 28.273 28.738 -0.015 0.000 0.898 797 Q HN 0.658 nan 8.270 nan 0.000 0.426 798 G N 0.510 109.293 108.800 -0.028 0.000 2.418 798 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.217 798 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.217 798 G C 1.542 176.412 174.900 -0.050 0.000 1.158 798 G CA 0.980 46.066 45.100 -0.023 0.000 0.771 798 G HN 0.244 nan 8.290 nan 0.000 0.545 799 S N 0.907 116.562 115.700 -0.074 0.000 2.383 799 S HA 0.041 4.510 4.470 -0.003 0.000 0.227 799 S C 2.758 177.278 174.600 -0.133 0.000 1.026 799 S CA 1.075 59.212 58.200 -0.107 0.000 0.981 799 S CB -0.287 62.841 63.200 -0.120 0.000 0.818 799 S HN 0.586 nan 8.310 nan 0.000 0.472 800 A N 1.579 124.318 122.820 -0.135 0.000 1.902 800 A HA 0.121 4.439 4.320 -0.003 0.000 0.217 800 A C 2.343 179.859 177.584 -0.113 0.000 1.181 800 A CA 1.633 53.570 52.037 -0.167 0.000 0.623 800 A CB -1.020 17.895 19.000 -0.142 0.000 0.818 800 A HN 0.505 nan 8.150 nan 0.000 0.443 801 A N 0.137 122.925 122.820 -0.054 0.000 1.902 801 A HA -0.186 4.132 4.320 -0.003 0.000 0.217 801 A C 1.771 179.340 177.584 -0.026 0.000 1.181 801 A CA 1.872 53.900 52.037 -0.014 0.000 0.623 801 A CB -0.592 18.418 19.000 0.017 0.000 0.818 801 A HN 0.462 nan 8.150 nan 0.000 0.443 802 D N 0.176 120.548 120.400 -0.047 0.000 2.104 802 D HA -0.145 4.493 4.640 -0.003 0.000 0.194 802 D C 1.869 178.133 176.300 -0.059 0.000 0.994 802 D CA 1.358 55.329 54.000 -0.049 0.000 0.830 802 D CB -0.390 40.367 40.800 -0.072 0.000 0.959 802 D HN 0.540 nan 8.370 nan 0.000 0.452 803 I N 0.677 121.185 120.570 -0.103 0.000 2.179 803 I HA -0.228 3.941 4.170 -0.003 0.000 0.242 803 I C 2.458 178.553 176.117 -0.037 0.000 1.088 803 I CA 0.718 61.946 61.300 -0.120 0.000 1.357 803 I CB -0.175 37.669 38.000 -0.261 0.000 1.051 803 I HN -0.042 nan 8.210 nan 0.000 0.409 804 I N 0.731 121.292 120.570 -0.015 0.000 2.208 804 I HA -0.310 3.858 4.170 -0.003 0.000 0.245 804 I C 2.493 178.649 176.117 0.066 0.000 1.097 804 I CA 1.586 62.956 61.300 0.117 0.000 1.363 804 I CB -0.339 37.726 38.000 0.107 0.000 1.051 804 I HN 0.186 nan 8.210 nan 0.000 0.413 805 K N 0.601 121.011 120.400 0.018 0.000 2.057 805 K HA -0.210 4.109 4.320 -0.003 0.000 0.206 805 K C 2.172 178.773 176.600 0.002 0.000 1.050 805 K CA 1.196 57.482 56.287 -0.001 0.000 0.935 805 K CB -0.124 32.373 32.500 -0.005 0.000 0.715 805 K HN 0.182 nan 8.250 nan 0.000 0.439 806 K N 0.911 121.313 120.400 0.003 0.000 2.097 806 K HA -0.083 4.235 4.320 -0.003 0.000 0.205 806 K C 2.062 178.671 176.600 0.016 0.000 1.050 806 K CA 1.071 57.359 56.287 0.001 0.000 0.938 806 K CB -0.039 32.455 32.500 -0.010 0.000 0.718 806 K HN 0.111 nan 8.250 nan 0.000 0.442 807 A N 1.124 123.972 122.820 0.047 0.000 1.933 807 A HA -0.163 4.156 4.320 -0.003 0.000 0.218 807 A C 2.093 179.692 177.584 0.026 0.000 1.175 807 A CA 1.622 53.696 52.037 0.063 0.000 0.628 807 A CB -0.451 18.640 19.000 0.152 0.000 0.814 807 A HN 0.339 nan 8.150 nan 0.000 0.444 808 M N -0.814 118.796 119.600 0.018 0.000 2.117 808 M HA -0.105 4.373 4.480 -0.003 0.000 0.262 808 M C 2.089 178.382 176.300 -0.012 0.000 1.065 808 M CA 1.594 56.890 55.300 -0.005 0.000 1.114 808 M CB -0.531 32.054 32.600 -0.024 0.000 1.361 808 M HN 0.392 nan 8.290 nan 0.000 0.408 809 I N 0.213 120.777 120.570 -0.011 0.000 2.179 809 I HA -0.303 3.866 4.170 -0.003 0.000 0.242 809 I C 1.904 178.013 176.117 -0.014 0.000 1.088 809 I CA 1.213 62.505 61.300 -0.014 0.000 1.357 809 I CB -0.557 37.435 38.000 -0.013 0.000 1.051 809 I HN 0.242 nan 8.210 nan 0.000 0.409 810 D N 0.626 121.019 120.400 -0.010 0.000 2.117 810 D HA -0.179 4.460 4.640 -0.003 0.000 0.197 810 D C 2.002 178.288 176.300 -0.023 0.000 0.987 810 D CA 1.126 55.118 54.000 -0.014 0.000 0.829 810 D CB -0.373 40.422 40.800 -0.008 0.000 0.961 810 D HN 0.165 nan 8.370 nan 0.000 0.460 811 L N 1.197 122.406 121.223 -0.023 0.000 2.017 811 L HA -0.155 4.183 4.340 -0.003 0.000 0.208 811 L C 1.620 178.467 176.870 -0.038 0.000 1.073 811 L CA 1.770 56.588 54.840 -0.037 0.000 0.745 811 L CB -0.869 41.169 42.059 -0.036 0.000 0.894 811 L HN -0.130 nan 8.230 nan 0.000 0.432 812 N N -0.311 118.374 118.700 -0.025 0.000 2.205 812 N HA -0.131 4.607 4.740 -0.003 0.000 0.186 812 N C 1.758 177.254 175.510 -0.024 0.000 1.015 812 N CA 1.463 54.502 53.050 -0.019 0.000 0.862 812 N CB -0.324 38.157 38.487 -0.010 0.000 0.986 812 N HN 0.571 nan 8.380 nan 0.000 0.429 813 A N 0.440 123.245 122.820 -0.026 0.000 1.897 813 A HA -0.037 4.281 4.320 -0.003 0.000 0.215 813 A C 2.135 179.699 177.584 -0.034 0.000 1.181 813 A CA 0.936 52.957 52.037 -0.027 0.000 0.620 813 A CB -0.167 18.818 19.000 -0.024 0.000 0.821 813 A HN 0.080 nan 8.150 nan 0.000 0.443 814 R N -0.214 120.261 120.500 -0.041 0.000 2.092 814 R HA 0.015 4.354 4.340 -0.003 0.000 0.231 814 R C 2.041 178.303 176.300 -0.064 0.000 1.119 814 R CA 1.028 57.096 56.100 -0.053 0.000 0.970 814 R CB -1.028 29.235 30.300 -0.062 0.000 0.864 814 R HN 0.590 nan 8.270 nan 0.000 0.440 815 L N 0.679 121.863 121.223 -0.065 0.000 2.083 815 L HA -0.175 4.163 4.340 -0.003 0.000 0.209 815 L C 2.668 179.505 176.870 -0.055 0.000 1.083 815 L CA 1.459 56.255 54.840 -0.074 0.000 0.752 815 L CB -0.412 41.608 42.059 -0.064 0.000 0.899 815 L HN 0.177 nan 8.230 nan 0.000 0.433 816 K N 0.446 120.823 120.400 -0.038 0.000 2.062 816 K HA -0.174 4.144 4.320 -0.003 0.000 0.205 816 K C 1.916 178.496 176.600 -0.034 0.000 1.051 816 K CA 1.280 57.550 56.287 -0.029 0.000 0.941 816 K CB 0.049 32.536 32.500 -0.021 0.000 0.719 816 K HN 0.300 nan 8.250 nan 0.000 0.440 817 E N 0.350 120.528 120.200 -0.038 0.000 2.085 817 E HA -0.174 4.175 4.350 -0.003 0.000 0.194 817 E C 1.550 178.124 176.600 -0.044 0.000 0.994 817 E CA 1.027 57.404 56.400 -0.038 0.000 0.801 817 E CB 0.090 29.767 29.700 -0.039 0.000 0.743 817 E HN 0.300 nan 8.360 nan 0.000 0.453 818 E N 0.368 120.534 120.200 -0.056 0.000 2.502 818 E HA -0.011 4.337 4.350 -0.003 0.000 0.194 818 E C 0.016 176.577 176.600 -0.065 0.000 1.062 818 E CA 0.081 56.441 56.400 -0.067 0.000 0.867 818 E CB 0.101 29.748 29.700 -0.088 0.000 0.888 818 E HN 0.065 nan 8.360 nan 0.000 0.510 819 R N -0.145 120.323 120.500 -0.053 0.000 3.416 819 R HA -0.177 4.161 4.340 -0.003 0.000 0.263 819 R C -0.383 175.882 176.300 -0.059 0.000 1.053 819 R CA 0.281 56.354 56.100 -0.044 0.000 0.705 819 R CB -2.442 27.836 30.300 -0.036 0.000 1.124 819 R HN 0.157 nan 8.270 nan 0.000 0.444 820 L N -0.136 121.039 121.223 -0.080 0.000 2.399 820 L HA 0.149 4.488 4.340 -0.003 0.000 0.266 820 L C 1.701 178.514 176.870 -0.095 0.000 1.114 820 L CA -0.239 54.529 54.840 -0.119 0.000 0.804 820 L CB 0.946 42.907 42.059 -0.164 0.000 1.146 820 L HN 0.254 nan 8.230 nan 0.000 0.451 821 Q N 1.420 121.137 119.800 -0.137 0.000 2.424 821 Q HA 0.164 4.503 4.340 -0.003 0.000 0.204 821 Q C 0.495 176.405 176.000 -0.151 0.000 0.933 821 Q CA -0.138 55.623 55.803 -0.070 0.000 0.929 821 Q CB 0.420 29.121 28.738 -0.062 0.000 1.037 821 Q HN 0.762 nan 8.270 nan 0.000 0.511 822 A N 2.304 124.946 122.820 -0.295 0.000 2.531 822 A HA 0.087 4.405 4.320 -0.003 0.000 0.236 822 A C -0.158 177.348 177.584 -0.131 0.000 1.062 822 A CA 0.237 52.066 52.037 -0.348 0.000 0.760 822 A CB -0.102 18.690 19.000 -0.347 0.000 0.995 822 A HN 0.425 nan 8.150 nan 0.000 0.501 823 H N -0.041 119.030 119.070 0.001 0.000 3.046 823 H HA 0.523 5.077 4.556 -0.003 0.000 0.361 823 H C -1.442 173.910 175.328 0.040 0.000 1.235 823 H CA -1.175 54.893 56.048 0.033 0.000 1.146 823 H CB 0.619 30.432 29.762 0.085 0.000 1.859 823 H HN 0.488 nan 8.280 nan 0.000 0.548 824 L N 1.978 123.338 121.223 0.229 0.000 2.456 824 L HA 0.024 4.362 4.340 -0.003 0.000 0.272 824 L C 0.953 177.946 176.870 0.206 0.000 1.189 824 L CA -0.101 54.830 54.840 0.152 0.000 0.846 824 L CB 0.588 42.692 42.059 0.074 0.000 1.111 824 L HN 0.582 nan 8.230 nan 0.000 0.475 825 L N 3.290 124.600 121.223 0.145 0.000 2.600 825 L HA 0.359 4.697 4.340 -0.003 0.000 0.213 825 L C -0.083 176.869 176.870 0.136 0.000 1.045 825 L CA 0.213 55.133 54.840 0.133 0.000 0.863 825 L CB 0.512 42.614 42.059 0.072 0.000 1.189 825 L HN 0.420 nan 8.230 nan 0.000 0.484 826 L N -0.563 120.707 121.223 0.078 0.000 2.469 826 L HA 0.465 4.803 4.340 -0.003 0.000 0.256 826 L C -1.235 175.663 176.870 0.047 0.000 1.006 826 L CA -0.572 54.360 54.840 0.153 0.000 0.832 826 L CB 2.298 44.374 42.059 0.027 0.000 1.421 826 L HN -0.137 nan 8.230 nan 0.000 0.410 827 Q N 2.041 121.856 119.800 0.026 0.000 2.310 827 Q HA 0.626 4.964 4.340 -0.003 0.000 0.270 827 Q C -2.035 174.010 176.000 0.074 0.000 1.025 827 Q CA -0.447 55.334 55.803 -0.035 0.000 0.772 827 Q CB 2.436 31.046 28.738 -0.214 0.000 1.253 827 Q HN 0.482 nan 8.270 nan 0.000 0.450 828 V N 5.634 125.614 119.914 0.110 0.000 2.686 828 V HA 0.380 4.499 4.120 -0.003 0.000 0.306 828 V C 0.477 176.658 176.094 0.145 0.000 1.065 828 V CA -0.520 61.853 62.300 0.122 0.000 0.894 828 V CB 1.621 33.606 31.823 0.271 0.000 1.004 828 V HN 0.978 nan 8.190 nan 0.000 0.424 829 H N 2.767 121.925 119.070 0.147 0.000 1.452 829 H HA -0.231 4.324 4.556 -0.003 0.000 0.090 829 H C 0.226 175.640 175.328 0.143 0.000 1.068 829 H CA 2.081 58.213 56.048 0.140 0.000 1.901 829 H CB -0.548 29.296 29.762 0.137 0.000 2.257 829 H HN 0.785 nan 8.280 nan 0.000 0.961 830 D N 2.779 123.367 120.400 0.313 0.000 2.615 830 D HA 0.152 4.790 4.640 -0.003 0.000 0.236 830 D C 0.535 176.989 176.300 0.255 0.000 1.233 830 D CA 0.262 54.427 54.000 0.276 0.000 0.829 830 D CB 0.232 41.196 40.800 0.273 0.000 1.024 830 D HN 0.479 nan 8.370 nan 0.000 0.490 831 E N -0.372 119.948 120.200 0.200 0.000 2.369 831 E HA 0.598 4.947 4.350 -0.003 0.000 0.270 831 E C -0.987 175.676 176.600 0.105 0.000 0.909 831 E CA -0.922 55.559 56.400 0.137 0.000 0.775 831 E CB 1.969 31.765 29.700 0.160 0.000 1.270 831 E HN -0.119 nan 8.360 nan 0.000 0.445 832 L N 2.312 123.577 121.223 0.070 0.000 2.341 832 L HA 0.560 4.898 4.340 -0.003 0.000 0.278 832 L C -0.569 176.351 176.870 0.084 0.000 1.005 832 L CA -0.987 53.888 54.840 0.058 0.000 0.818 832 L CB 1.366 43.447 42.059 0.036 0.000 1.259 832 L HN 0.542 nan 8.230 nan 0.000 0.418 833 I N 4.018 124.617 120.570 0.049 0.000 2.406 833 I HA 0.448 4.616 4.170 -0.003 0.000 0.290 833 I C -0.757 175.382 176.117 0.036 0.000 0.999 833 I CA -0.457 60.854 61.300 0.018 0.000 1.124 833 I CB 1.844 39.746 38.000 -0.163 0.000 1.289 833 I HN 0.353 nan 8.210 nan 0.000 0.441 834 L N 5.757 127.040 121.223 0.100 0.000 2.230 834 L HA 0.643 4.982 4.340 -0.003 0.000 0.255 834 L C -0.452 176.468 176.870 0.083 0.000 1.039 834 L CA -0.590 54.301 54.840 0.085 0.000 0.846 834 L CB 1.579 43.669 42.059 0.051 0.000 1.419 834 L HN 0.633 nan 8.230 nan 0.000 0.435 835 E N -0.025 120.183 120.200 0.014 0.000 2.356 835 E HA 0.923 5.271 4.350 -0.003 0.000 0.275 835 E C -1.554 174.947 176.600 -0.166 0.000 0.904 835 E CA -1.097 55.334 56.400 0.051 0.000 0.757 835 E CB 2.579 32.394 29.700 0.192 0.000 1.232 835 E HN 0.762 nan 8.360 nan 0.000 0.442 836 A N 1.911 124.558 122.820 -0.289 0.000 2.566 836 A HA 0.622 4.940 4.320 -0.003 0.000 0.290 836 A C -2.997 173.856 177.584 -1.218 0.000 1.071 836 A CA -1.373 50.076 52.037 -0.979 0.000 0.658 836 A CB 1.062 19.667 19.000 -0.659 0.000 1.285 836 A HN 0.493 nan 8.150 nan 0.000 0.427 837 P HA 0.109 nan 4.420 nan 0.000 0.267 837 P C 0.438 177.438 177.300 -0.501 0.000 1.200 837 P CA 0.099 62.537 63.100 -1.103 0.000 0.772 837 P CB 0.523 31.781 31.700 -0.736 0.000 0.855 838 K N 1.884 122.134 120.400 -0.249 0.000 2.280 838 K HA -0.180 4.138 4.320 -0.003 0.000 0.202 838 K C 0.662 177.159 176.600 -0.171 0.000 1.047 838 K CA 1.680 57.881 56.287 -0.144 0.000 0.942 838 K CB -0.341 32.145 32.500 -0.023 0.000 0.739 838 K HN 0.261 nan 8.250 nan 0.000 0.457 839 E N 1.267 121.357 120.200 -0.183 0.000 2.482 839 E HA -0.051 4.297 4.350 -0.003 0.000 0.196 839 E C 0.803 177.280 176.600 -0.204 0.000 1.047 839 E CA 0.705 57.010 56.400 -0.158 0.000 0.869 839 E CB 0.246 29.872 29.700 -0.123 0.000 0.836 839 E HN 0.494 nan 8.360 nan 0.000 0.520 840 E N -0.463 119.566 120.200 -0.283 0.000 2.481 840 E HA 0.075 4.423 4.350 -0.003 0.000 0.198 840 E C 1.260 177.646 176.600 -0.357 0.000 1.027 840 E CA -0.146 56.066 56.400 -0.313 0.000 0.900 840 E CB 0.208 29.683 29.700 -0.376 0.000 0.993 840 E HN 0.204 nan 8.360 nan 0.000 0.482 841 M N 0.952 120.329 119.600 -0.372 0.000 2.065 841 M HA -0.185 4.294 4.480 -0.003 0.000 0.259 841 M C 1.891 177.979 176.300 -0.354 0.000 1.069 841 M CA 1.706 56.723 55.300 -0.471 0.000 1.110 841 M CB -0.958 31.208 32.600 -0.723 0.000 1.328 841 M HN 0.133 nan 8.290 nan 0.000 0.405 842 E N -0.361 119.695 120.200 -0.241 0.000 2.085 842 E HA -0.205 4.144 4.350 -0.003 0.000 0.194 842 E C 2.237 178.731 176.600 -0.176 0.000 0.994 842 E CA 1.045 57.357 56.400 -0.147 0.000 0.801 842 E CB -0.240 29.405 29.700 -0.091 0.000 0.743 842 E HN 0.492 nan 8.360 nan 0.000 0.453 843 R N 0.398 120.772 120.500 -0.211 0.000 2.092 843 R HA -0.050 4.288 4.340 -0.003 0.000 0.231 843 R C 2.514 178.636 176.300 -0.296 0.000 1.119 843 R CA 0.716 56.687 56.100 -0.215 0.000 0.970 843 R CB -0.221 29.958 30.300 -0.202 0.000 0.864 843 R HN 0.208 nan 8.270 nan 0.000 0.440 844 L N -0.274 120.695 121.223 -0.424 0.000 2.141 844 L HA -0.197 4.141 4.340 -0.003 0.000 0.209 844 L C 2.475 178.967 176.870 -0.630 0.000 1.094 844 L CA 0.745 55.184 54.840 -0.667 0.000 0.763 844 L CB -0.391 41.014 42.059 -1.090 0.000 0.908 844 L HN 0.296 nan 8.230 nan 0.000 0.437 845 C N -0.287 118.780 119.300 -0.388 0.000 2.419 845 C HA -0.130 4.329 4.460 -0.003 0.000 0.281 845 C C 2.888 177.603 174.990 -0.458 0.000 1.336 845 C CA 0.851 59.632 59.018 -0.394 0.000 1.770 845 C CB -0.982 26.663 27.740 -0.159 0.000 1.929 845 C HN 0.447 nan 8.230 nan 0.000 0.509 846 R N -0.930 119.403 120.500 -0.278 0.000 2.123 846 R HA 0.095 4.433 4.340 -0.003 0.000 0.209 846 R C 2.032 178.226 176.300 -0.176 0.000 1.078 846 R CA 0.379 56.368 56.100 -0.185 0.000 1.028 846 R CB -0.468 29.759 30.300 -0.122 0.000 0.939 846 R HN 0.297 nan 8.270 nan 0.000 0.463 847 L N 0.945 122.041 121.223 -0.210 0.000 2.005 847 L HA -0.105 4.234 4.340 -0.003 0.000 0.207 847 L C 1.987 178.754 176.870 -0.171 0.000 1.072 847 L CA 1.663 56.394 54.840 -0.183 0.000 0.744 847 L CB -0.421 41.515 42.059 -0.205 0.000 0.895 847 L HN -0.098 nan 8.230 nan 0.000 0.433 848 V N 0.489 120.266 119.914 -0.227 0.000 2.255 848 V HA -0.205 3.913 4.120 -0.003 0.000 0.247 848 V C -0.013 176.033 176.094 -0.080 0.000 1.051 848 V CA 2.326 64.537 62.300 -0.149 0.000 1.018 848 V CB -1.998 29.747 31.823 -0.132 0.000 0.641 848 V HN 0.341 nan 8.190 nan 0.000 0.445 849 P HA -0.170 nan 4.420 nan 0.000 0.215 849 P C 1.653 178.938 177.300 -0.025 0.000 1.153 849 P CA 1.565 64.650 63.100 -0.023 0.000 0.853 849 P CB 0.078 31.792 31.700 0.024 0.000 0.788 850 E N -0.193 119.983 120.200 -0.040 0.000 2.038 850 E HA -0.153 4.196 4.350 -0.003 0.000 0.195 850 E C 1.868 178.457 176.600 -0.018 0.000 1.000 850 E CA 1.371 57.756 56.400 -0.025 0.000 0.803 850 E CB -1.270 28.406 29.700 -0.040 0.000 0.750 850 E HN -0.109 nan 8.360 nan 0.000 0.448 851 V N 0.626 120.519 119.914 -0.035 0.000 2.287 851 V HA -0.324 3.794 4.120 -0.003 0.000 0.248 851 V C 2.523 178.622 176.094 0.009 0.000 1.053 851 V CA 2.336 64.622 62.300 -0.022 0.000 1.027 851 V CB -0.528 31.270 31.823 -0.041 0.000 0.646 851 V HN 0.377 nan 8.190 nan 0.000 0.447 852 M N -0.772 118.825 119.600 -0.005 0.000 2.175 852 M HA -0.179 4.299 4.480 -0.003 0.000 0.264 852 M C 2.121 178.528 176.300 0.177 0.000 1.063 852 M CA 1.752 57.072 55.300 0.033 0.000 1.119 852 M CB -0.448 32.009 32.600 -0.239 0.000 1.377 852 M HN 0.375 nan 8.290 nan 0.000 0.415 853 E N -0.246 120.013 120.200 0.098 0.000 2.274 853 E HA -0.126 4.222 4.350 -0.003 0.000 0.194 853 E C 1.382 178.024 176.600 0.070 0.000 0.996 853 E CA 0.587 57.059 56.400 0.120 0.000 0.840 853 E CB 0.148 29.889 29.700 0.068 0.000 0.772 853 E HN 0.457 nan 8.360 nan 0.000 0.491 854 Q N -0.732 119.095 119.800 0.045 0.000 2.198 854 Q HA 0.245 4.583 4.340 -0.003 0.000 0.209 854 Q C 1.479 177.485 176.000 0.010 0.000 0.848 854 Q CA 0.115 55.928 55.803 0.016 0.000 0.974 854 Q CB 0.939 29.680 28.738 0.004 0.000 1.115 854 Q HN 0.176 nan 8.270 nan 0.000 0.494 855 A N 0.949 123.789 122.820 0.032 0.000 1.917 855 A HA -0.020 4.298 4.320 -0.003 0.000 0.219 855 A C 1.297 178.867 177.584 -0.024 0.000 1.182 855 A CA 1.843 53.890 52.037 0.017 0.000 0.633 855 A CB -0.083 18.948 19.000 0.053 0.000 0.819 855 A HN 0.244 nan 8.150 nan 0.000 0.448 856 V N -5.639 114.245 119.914 -0.050 0.000 3.181 856 V HA 0.727 4.845 4.120 -0.003 0.000 0.308 856 V C -0.728 175.311 176.094 -0.091 0.000 1.214 856 V CA -0.536 61.714 62.300 -0.083 0.000 1.053 856 V CB 1.637 33.380 31.823 -0.134 0.000 1.069 856 V HN -0.002 nan 8.190 nan 0.000 0.441 857 T N 3.316 117.811 114.554 -0.098 0.000 2.791 857 T HA 0.732 5.080 4.350 -0.003 0.000 0.288 857 T C -0.356 174.261 174.700 -0.139 0.000 0.999 857 T CA -0.223 61.826 62.100 -0.085 0.000 0.952 857 T CB 0.691 69.537 68.868 -0.037 0.000 0.938 857 T HN 0.650 nan 8.240 nan 0.000 0.444 858 L N 2.065 123.179 121.223 -0.181 0.000 2.299 858 L HA 0.574 4.912 4.340 -0.003 0.000 0.268 858 L C 1.652 178.547 176.870 0.041 0.000 1.012 858 L CA -1.236 53.435 54.840 -0.282 0.000 0.816 858 L CB 1.164 42.935 42.059 -0.480 0.000 1.355 858 L HN 0.499 nan 8.230 nan 0.000 0.457 859 R N -0.129 120.567 120.500 0.326 0.000 2.316 859 R HA 0.032 4.371 4.340 -0.003 0.000 0.202 859 R C -0.128 176.231 176.300 0.097 0.000 1.029 859 R CA 0.366 56.578 56.100 0.187 0.000 1.018 859 R CB -0.117 30.278 30.300 0.158 0.000 0.888 859 R HN 0.508 nan 8.270 nan 0.000 0.471 860 V N -2.996 116.954 119.914 0.059 0.000 3.102 860 V HA 0.595 4.713 4.120 -0.003 0.000 0.312 860 V C -2.853 173.230 176.094 -0.019 0.000 1.135 860 V CA -3.177 59.145 62.300 0.036 0.000 1.022 860 V CB 2.280 34.129 31.823 0.044 0.000 1.056 860 V HN -0.211 nan 8.190 nan 0.000 0.436 861 P HA 0.473 nan 4.420 nan 0.000 0.274 861 P C -0.903 176.362 177.300 -0.057 0.000 1.237 861 P CA -0.323 62.769 63.100 -0.014 0.000 0.793 861 P CB 0.519 32.232 31.700 0.023 0.000 0.977 862 L N 1.671 122.876 121.223 -0.030 0.000 2.322 862 L HA 0.484 4.822 4.340 -0.003 0.000 0.279 862 L C 0.513 177.423 176.870 0.066 0.000 1.036 862 L CA -0.554 54.280 54.840 -0.010 0.000 0.807 862 L CB 1.218 43.296 42.059 0.031 0.000 1.226 862 L HN 0.299 nan 8.230 nan 0.000 0.433 863 K N 2.444 122.901 120.400 0.095 0.000 2.324 863 K HA 0.674 4.992 4.320 -0.003 0.000 0.253 863 K C -1.732 174.943 176.600 0.124 0.000 0.932 863 K CA -0.568 55.776 56.287 0.096 0.000 0.799 863 K CB 2.175 34.716 32.500 0.069 0.000 1.154 863 K HN 0.331 nan 8.250 nan 0.000 0.425 864 V N 3.739 123.696 119.914 0.072 0.000 2.531 864 V HA 0.279 4.397 4.120 -0.003 0.000 0.301 864 V C -0.775 175.351 176.094 0.054 0.000 1.034 864 V CA -0.998 61.311 62.300 0.015 0.000 0.865 864 V CB 1.773 33.552 31.823 -0.073 0.000 0.995 864 V HN 0.824 nan 8.190 nan 0.000 0.424 865 D N 3.275 123.684 120.400 0.015 0.000 2.277 865 D HA 0.617 5.255 4.640 -0.003 0.000 0.250 865 D C -0.905 175.351 176.300 -0.073 0.000 1.032 865 D CA 0.128 54.075 54.000 -0.089 0.000 0.947 865 D CB 2.254 43.029 40.800 -0.041 0.000 1.159 865 D HN 0.613 nan 8.370 nan 0.000 0.460 866 Y N -1.788 118.298 120.300 -0.357 0.000 2.571 866 Y HA 0.659 5.207 4.550 -0.003 0.000 0.341 866 Y C -1.275 174.105 175.900 -0.867 0.000 1.076 866 Y CA -0.988 56.841 58.100 -0.452 0.000 1.029 866 Y CB 1.134 39.418 38.460 -0.293 0.000 1.308 866 Y HN 0.368 nan 8.280 nan 0.000 0.461 867 H N 0.450 119.385 119.070 -0.224 0.000 2.990 867 H HA 0.693 5.247 4.556 -0.003 0.000 0.336 867 H C -1.760 173.431 175.328 -0.228 0.000 1.306 867 H CA -0.973 54.942 56.048 -0.222 0.000 1.118 867 H CB 2.367 32.002 29.762 -0.212 0.000 1.856 867 H HN 0.802 nan 8.280 nan 0.000 0.538 868 Y N -1.610 118.686 120.300 -0.006 0.000 2.604 868 Y HA 0.765 5.313 4.550 -0.003 0.000 0.331 868 Y C -0.509 175.450 175.900 0.098 0.000 1.158 868 Y CA -0.633 57.484 58.100 0.029 0.000 1.056 868 Y CB 1.013 39.538 38.460 0.109 0.000 1.330 868 Y HN 1.008 nan 8.280 nan 0.000 0.457 869 G N 0.141 109.113 108.800 0.286 0.000 2.490 869 G HA2 0.364 4.322 3.960 -0.003 0.000 0.308 869 G HA3 0.364 4.322 3.960 -0.003 0.000 0.308 869 G C -0.586 174.456 174.900 0.236 0.000 1.286 869 G CA -0.404 44.818 45.100 0.203 0.000 0.825 869 G HN 0.667 nan 8.290 nan 0.000 0.479 870 S N -0.769 115.045 115.700 0.191 0.000 2.423 870 S HA 0.150 4.618 4.470 -0.003 0.000 0.231 870 S C 1.267 175.985 174.600 0.196 0.000 1.014 870 S CA 1.705 60.013 58.200 0.179 0.000 0.965 870 S CB -0.278 63.005 63.200 0.139 0.000 0.785 870 S HN 1.291 nan 8.310 nan 0.000 0.495 871 T N -3.649 111.042 114.554 0.229 0.000 2.838 871 T HA 0.331 4.680 4.350 -0.003 0.000 0.292 871 T C 0.004 174.929 174.700 0.375 0.000 1.113 871 T CA -0.800 61.471 62.100 0.285 0.000 1.008 871 T CB 0.723 69.751 68.868 0.266 0.000 1.259 871 T HN 0.139 nan 8.240 nan 0.000 0.520 872 W N 0.472 121.893 121.300 0.202 0.000 2.342 872 W HA -0.107 4.551 4.660 -0.003 0.000 0.297 872 W C 1.901 178.489 176.519 0.115 0.000 1.213 872 W CA 1.068 58.500 57.345 0.145 0.000 1.251 872 W CB -1.160 28.374 29.460 0.122 0.000 1.136 872 W HN 0.894 nan 8.180 nan 0.000 0.526 873 Y N 1.663 122.060 120.300 0.163 0.000 2.165 873 Y HA -0.262 4.286 4.550 -0.003 0.000 0.286 873 Y C 2.123 178.014 175.900 -0.014 0.000 1.155 873 Y CA 2.649 60.733 58.100 -0.027 0.000 1.164 873 Y CB -0.603 37.851 38.460 -0.009 0.000 0.978 873 Y HN -0.133 nan 8.280 nan 0.000 0.513 874 D N 0.283 120.819 120.400 0.227 0.000 2.312 874 D HA -0.004 4.635 4.640 -0.003 0.000 0.211 874 D C 1.156 177.456 176.300 0.000 0.000 0.964 874 D CA 0.970 55.026 54.000 0.095 0.000 0.877 874 D CB -0.277 40.621 40.800 0.164 0.000 0.924 874 D HN 0.379 nan 8.370 nan 0.000 0.515 875 A N 1.736 124.604 122.820 0.080 0.000 2.900 875 A HA 0.062 4.381 4.320 -0.003 0.000 0.246 875 A C 0.709 178.255 177.584 -0.063 0.000 1.725 875 A CA 0.033 52.120 52.037 0.084 0.000 1.400 875 A CB -0.880 18.257 19.000 0.229 0.000 0.973 875 A HN 0.228 nan 8.150 nan 0.000 0.635 876 K N 0.000 120.252 120.400 -0.247 0.000 2.780 876 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 876 K CA 0.000 55.938 56.287 -0.581 0.000 0.838 876 K CB 0.000 32.203 32.500 -0.495 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543