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 3mx2_1_A DATA FIRST_RESID 7 DATA SEQUENCE IKSFLWTQSL RRELSGYCSN IKLQVVKDAQ ALLHGLDFSE VSNVQRLMRK DATA SEQUENCE ERRDDNDLKR LRDLNQAVNN LVELKSTQQK SILRVGTLTS DDLLILAADL DATA SEQUENCE EKLKSKVIRT ERPLSAGVYM GNLSSQQLDQ RRALLNMIGM XXXXXXXXXX DATA SEQUENCE XDGVVRVWDV KNAELLNNQF GTMPSLTLAC LTKQGQVDLN DAVQALTDLG DATA SEQUENCE LIYTAKYPNT SDLDRLTQSH PILNMIDTKK SSLNISGYNF SLGAAVKAGA DATA SEQUENCE CMLDGGNMLE TIKVSPQTMD GILKSILKVK KALGMFISDT PGERNPYENI DATA SEQUENCE LYKICLSGDG WPYIASRTSI TGRAWENTVV DLXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXGLT YSQLMTLKDA MLQLDPNAKT WMDIEGRPED PVEIALYQPS DATA SEQUENCE SGCYIHFFRE PTDLKQFKQD AKYSHGIDVT DLFATQPGLT SAVIDALPRN DATA SEQUENCE MVITCQGSDD IRKLLESQGR KDIKLIDIAL SKTDSRKYEN AVWDQYKDLC DATA SEQUENCE HMHTGVVVEK XXXXXKEEIT PHCALMDCIM FDAAVSGGLN TSVLRAVLPR DATA SEQUENCE DMVFR 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 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.131 176.117 0.023 0.000 1.063 7 I CA 0.000 61.317 61.300 0.028 0.000 1.566 7 I CB 0.000 38.010 38.000 0.017 0.000 1.214 8 K N 2.755 123.112 120.400 -0.071 0.000 2.097 8 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 8 K C 1.868 178.249 176.600 -0.366 0.000 1.049 8 K CA 2.291 58.480 56.287 -0.163 0.000 0.933 8 K CB 0.117 32.473 32.500 -0.239 0.000 0.717 8 K HN 0.598 nan 8.250 nan 0.000 0.442 9 S N -0.476 115.006 115.700 -0.363 0.000 2.345 9 S HA -0.170 4.300 4.470 -0.000 0.000 0.220 9 S C 1.858 176.457 174.600 -0.002 0.000 1.031 9 S CA 1.084 59.070 58.200 -0.358 0.000 0.996 9 S CB -0.579 62.470 63.200 -0.251 0.000 0.882 9 S HN 0.424 nan 8.310 nan 0.000 0.445 10 F N 1.718 121.653 119.950 -0.025 0.000 2.216 10 F HA 0.038 4.565 4.527 -0.000 0.000 0.300 10 F C 1.870 177.726 175.800 0.093 0.000 1.085 10 F CA 1.213 59.255 58.000 0.069 0.000 1.326 10 F CB -0.512 38.541 39.000 0.088 0.000 1.027 10 F HN 0.322 nan 8.300 nan 0.000 0.497 11 L N -0.657 120.633 121.223 0.111 0.000 2.042 11 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 11 L C 1.912 178.889 176.870 0.178 0.000 1.076 11 L CA 1.848 56.750 54.840 0.104 0.000 0.749 11 L CB -1.000 41.166 42.059 0.177 0.000 0.893 11 L HN 0.179 nan 8.230 nan 0.000 0.432 12 W N -0.041 121.231 121.300 -0.046 0.000 2.354 12 W HA -0.109 4.551 4.660 -0.000 0.000 0.315 12 W C 2.711 179.185 176.519 -0.075 0.000 1.206 12 W CA 1.700 59.021 57.345 -0.039 0.000 1.290 12 W CB -1.724 27.734 29.460 -0.003 0.000 1.152 12 W HN 0.096 nan 8.180 nan 0.000 0.489 13 T N 0.497 115.132 114.554 0.136 0.000 2.665 13 T HA -0.278 4.071 4.350 -0.000 0.000 0.268 13 T C 1.732 176.312 174.700 -0.199 0.000 1.035 13 T CA 2.007 64.084 62.100 -0.039 0.000 1.151 13 T CB -0.506 68.303 68.868 -0.098 0.000 0.862 13 T HN 0.263 nan 8.240 nan 0.000 0.438 14 Q N 0.528 120.105 119.800 -0.372 0.000 2.124 14 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 14 Q C 2.739 178.653 176.000 -0.144 0.000 0.977 14 Q CA 1.338 56.939 55.803 -0.337 0.000 0.850 14 Q CB -0.187 28.319 28.738 -0.387 0.000 0.901 14 Q HN 0.468 nan 8.270 nan 0.000 0.429 15 S N 1.050 116.705 115.700 -0.075 0.000 2.368 15 S HA -0.071 4.398 4.470 -0.000 0.000 0.224 15 S C 1.996 176.576 174.600 -0.032 0.000 1.029 15 S CA 0.722 58.898 58.200 -0.039 0.000 0.988 15 S CB -0.163 63.023 63.200 -0.023 0.000 0.838 15 S HN 0.259 nan 8.310 nan 0.000 0.462 16 L N 1.138 122.350 121.223 -0.018 0.000 2.017 16 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 16 L C 2.781 179.652 176.870 0.002 0.000 1.073 16 L CA 1.308 56.154 54.840 0.011 0.000 0.745 16 L CB -0.431 41.662 42.059 0.056 0.000 0.894 16 L HN 0.237 nan 8.230 nan 0.000 0.432 17 R N -0.405 120.071 120.500 -0.040 0.000 2.096 17 R HA -0.197 4.142 4.340 -0.000 0.000 0.240 17 R C 2.446 178.727 176.300 -0.032 0.000 1.139 17 R CA 1.574 57.643 56.100 -0.052 0.000 0.952 17 R CB -0.364 29.870 30.300 -0.110 0.000 0.854 17 R HN 0.346 nan 8.270 nan 0.000 0.436 18 R N 0.232 120.710 120.500 -0.038 0.000 2.080 18 R HA -0.187 4.153 4.340 -0.000 0.000 0.236 18 R C 2.326 178.620 176.300 -0.010 0.000 1.137 18 R CA 1.728 57.812 56.100 -0.026 0.000 0.943 18 R CB -0.286 29.997 30.300 -0.028 0.000 0.846 18 R HN 0.126 nan 8.270 nan 0.000 0.431 19 E N 0.934 121.135 120.200 0.002 0.000 2.077 19 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 19 E C 1.484 178.121 176.600 0.062 0.000 0.989 19 E CA 1.262 57.676 56.400 0.023 0.000 0.800 19 E CB -0.041 29.674 29.700 0.024 0.000 0.746 19 E HN 0.276 nan 8.360 nan 0.000 0.452 20 L N 0.639 121.915 121.223 0.088 0.000 2.611 20 L HA 0.123 4.463 4.340 -0.000 0.000 0.229 20 L C 1.982 178.923 176.870 0.118 0.000 1.137 20 L CA 0.533 55.489 54.840 0.194 0.000 0.901 20 L CB -0.226 41.946 42.059 0.189 0.000 1.098 20 L HN 0.144 nan 8.230 nan 0.000 0.456 21 S N -0.058 115.653 115.700 0.017 0.000 2.383 21 S HA -0.164 4.305 4.470 -0.000 0.000 0.229 21 S C 2.007 176.572 174.600 -0.059 0.000 1.030 21 S CA 1.278 59.469 58.200 -0.016 0.000 1.002 21 S CB -0.727 62.455 63.200 -0.031 0.000 0.829 21 S HN 0.449 nan 8.310 nan 0.000 0.467 22 G N -0.587 108.112 108.800 -0.167 0.000 2.559 22 G HA2 -0.005 3.954 3.960 -0.000 0.000 0.216 22 G HA3 -0.005 3.954 3.960 -0.000 0.000 0.216 22 G C 0.823 175.524 174.900 -0.332 0.000 1.126 22 G CA 0.458 45.389 45.100 -0.281 0.000 0.778 22 G HN 0.668 nan 8.290 nan 0.000 0.543 23 Y N -0.022 120.280 120.300 0.003 0.000 2.462 23 Y HA 0.286 4.836 4.550 -0.000 0.000 0.261 23 Y C 1.792 177.704 175.900 0.019 0.000 1.146 23 Y CA -1.571 56.532 58.100 0.005 0.000 1.283 23 Y CB -0.565 37.897 38.460 0.003 0.000 1.090 23 Y HN 0.032 nan 8.280 nan 0.000 0.526 24 C N 0.946 120.320 119.300 0.123 0.000 2.580 24 C HA 0.624 5.084 4.460 -0.000 0.000 0.371 24 C C 0.749 175.792 174.990 0.089 0.000 1.308 24 C CA -0.558 58.518 59.018 0.096 0.000 2.428 24 C CB 0.334 28.104 27.740 0.051 0.000 2.529 24 C HN 0.479 nan 8.230 nan 0.000 0.657 25 S N 0.467 116.228 115.700 0.103 0.000 2.596 25 S HA 0.399 4.869 4.470 -0.000 0.000 0.270 25 S C -1.451 173.200 174.600 0.085 0.000 1.155 25 S CA -0.798 57.465 58.200 0.105 0.000 0.827 25 S CB 0.898 64.198 63.200 0.166 0.000 1.130 25 S HN 0.672 nan 8.310 nan 0.000 0.467 26 N N 1.665 120.405 118.700 0.068 0.000 2.663 26 N HA 0.263 5.003 4.740 -0.000 0.000 0.250 26 N C -0.009 175.525 175.510 0.040 0.000 1.129 26 N CA -0.213 52.864 53.050 0.045 0.000 0.995 26 N CB 0.046 38.552 38.487 0.033 0.000 1.324 26 N HN 0.687 nan 8.380 nan 0.000 0.512 27 I N -1.101 119.486 120.570 0.028 0.000 3.856 27 I HA 0.208 4.378 4.170 -0.000 0.000 0.333 27 I C 1.620 177.717 176.117 -0.034 0.000 1.525 27 I CA -0.412 60.880 61.300 -0.013 0.000 1.173 27 I CB 0.165 38.127 38.000 -0.065 0.000 1.175 27 I HN 0.074 nan 8.210 nan 0.000 0.424 28 K N 1.670 122.063 120.400 -0.013 0.000 2.009 28 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 28 K C 1.974 178.559 176.600 -0.025 0.000 1.049 28 K CA 1.957 58.235 56.287 -0.015 0.000 0.929 28 K CB -0.188 32.309 32.500 -0.005 0.000 0.714 28 K HN 0.555 nan 8.250 nan 0.000 0.440 29 L N 0.764 121.975 121.223 -0.019 0.000 2.083 29 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 29 L C 2.581 179.430 176.870 -0.035 0.000 1.083 29 L CA 1.514 56.342 54.840 -0.020 0.000 0.752 29 L CB -0.270 41.782 42.059 -0.011 0.000 0.899 29 L HN 0.371 nan 8.230 nan 0.000 0.433 30 Q N -0.557 119.210 119.800 -0.055 0.000 2.119 30 Q HA -0.149 4.190 4.340 -0.000 0.000 0.201 30 Q C 1.958 177.895 176.000 -0.104 0.000 0.972 30 Q CA 2.110 57.859 55.803 -0.090 0.000 0.847 30 Q CB -0.347 28.305 28.738 -0.143 0.000 0.903 30 Q HN 0.437 nan 8.270 nan 0.000 0.433 31 V N -0.679 119.174 119.914 -0.100 0.000 2.358 31 V HA -0.197 3.922 4.120 -0.000 0.000 0.246 31 V C 2.197 178.263 176.094 -0.046 0.000 1.047 31 V CA 1.516 63.765 62.300 -0.086 0.000 1.035 31 V CB -0.430 31.351 31.823 -0.069 0.000 0.658 31 V HN 0.216 nan 8.190 nan 0.000 0.452 32 V N -0.170 119.724 119.914 -0.032 0.000 2.358 32 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 32 V C 2.410 178.499 176.094 -0.009 0.000 1.047 32 V CA 2.189 64.480 62.300 -0.014 0.000 1.035 32 V CB -0.599 31.218 31.823 -0.011 0.000 0.658 32 V HN 0.537 nan 8.190 nan 0.000 0.452 33 K N -0.155 120.233 120.400 -0.020 0.000 2.057 33 K HA -0.230 4.089 4.320 -0.000 0.000 0.207 33 K C 1.848 178.444 176.600 -0.008 0.000 1.049 33 K CA 1.883 58.162 56.287 -0.014 0.000 0.931 33 K CB -0.195 32.293 32.500 -0.021 0.000 0.714 33 K HN 0.406 nan 8.250 nan 0.000 0.440 34 D N 0.342 120.727 120.400 -0.026 0.000 2.097 34 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 34 D C 1.725 178.033 176.300 0.012 0.000 0.989 34 D CA 1.428 55.415 54.000 -0.021 0.000 0.827 34 D CB -0.220 40.544 40.800 -0.060 0.000 0.966 34 D HN 0.340 nan 8.370 nan 0.000 0.456 35 A N 0.388 123.218 122.820 0.017 0.000 2.019 35 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 35 A C 2.097 179.731 177.584 0.082 0.000 1.164 35 A CA 1.380 53.449 52.037 0.054 0.000 0.644 35 A CB -0.487 18.539 19.000 0.044 0.000 0.805 35 A HN 0.231 nan 8.150 nan 0.000 0.449 36 Q N -0.834 119.001 119.800 0.058 0.000 2.046 36 Q HA -0.044 4.296 4.340 -0.000 0.000 0.200 36 Q C 2.451 178.516 176.000 0.108 0.000 0.975 36 Q CA 1.256 57.101 55.803 0.070 0.000 0.836 36 Q CB -0.354 28.404 28.738 0.032 0.000 0.896 36 Q HN 0.674 nan 8.270 nan 0.000 0.428 37 A N 0.653 123.525 122.820 0.087 0.000 1.978 37 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 37 A C 1.993 179.651 177.584 0.124 0.000 1.170 37 A CA 1.204 53.307 52.037 0.111 0.000 0.636 37 A CB -0.627 18.412 19.000 0.065 0.000 0.810 37 A HN 0.302 nan 8.150 nan 0.000 0.448 38 L N -1.048 120.246 121.223 0.118 0.000 2.072 38 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 38 L C 2.504 179.550 176.870 0.293 0.000 1.079 38 L CA 0.866 55.783 54.840 0.130 0.000 0.752 38 L CB -0.525 41.607 42.059 0.122 0.000 0.906 38 L HN 0.337 nan 8.230 nan 0.000 0.436 39 L N -0.767 120.670 121.223 0.355 0.000 2.079 39 L HA -0.262 4.077 4.340 -0.000 0.000 0.210 39 L C 2.650 179.726 176.870 0.343 0.000 1.081 39 L CA 1.297 56.371 54.840 0.390 0.000 0.752 39 L CB -0.598 41.566 42.059 0.174 0.000 0.896 39 L HN 0.332 nan 8.230 nan 0.000 0.433 40 H N -0.731 118.431 119.070 0.154 0.000 2.470 40 H HA -0.003 4.553 4.556 -0.000 0.000 0.289 40 H C 1.870 177.256 175.328 0.095 0.000 1.033 40 H CA 1.310 57.421 56.048 0.105 0.000 1.331 40 H CB 0.222 30.021 29.762 0.063 0.000 1.414 40 H HN 0.190 nan 8.280 nan 0.000 0.545 41 G N -0.358 108.444 108.800 0.004 0.000 2.720 41 G HA2 0.076 4.036 3.960 -0.000 0.000 0.204 41 G HA3 0.076 4.036 3.960 -0.000 0.000 0.204 41 G C 0.009 174.850 174.900 -0.099 0.000 1.113 41 G CA -0.110 44.934 45.100 -0.095 0.000 0.805 41 G HN 0.267 nan 8.290 nan 0.000 0.536 42 L N 1.700 122.842 121.223 -0.134 0.000 2.371 42 L HA 0.423 4.762 4.340 -0.000 0.000 0.272 42 L C -0.633 176.026 176.870 -0.352 0.000 1.124 42 L CA -0.769 53.869 54.840 -0.336 0.000 0.816 42 L CB 1.391 43.069 42.059 -0.635 0.000 1.129 42 L HN -0.051 nan 8.230 nan 0.000 0.448 43 D N 3.308 123.557 120.400 -0.253 0.000 2.359 43 D HA 0.007 4.647 4.640 -0.000 0.000 0.250 43 D C 0.628 176.819 176.300 -0.181 0.000 1.264 43 D CA 0.305 54.225 54.000 -0.132 0.000 0.911 43 D CB 0.164 40.919 40.800 -0.075 0.000 1.056 43 D HN 0.427 nan 8.370 nan 0.000 0.499 44 F N 1.406 121.370 119.950 0.023 0.000 2.661 44 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 44 F C 2.631 178.448 175.800 0.029 0.000 1.137 44 F CA 0.550 58.575 58.000 0.042 0.000 1.454 44 F CB -0.061 38.972 39.000 0.055 0.000 1.103 44 F HN 0.391 nan 8.300 nan 0.000 0.577 45 S N -0.564 115.224 115.700 0.148 0.000 2.428 45 S HA -0.174 4.296 4.470 -0.000 0.000 0.230 45 S C 1.936 176.551 174.600 0.025 0.000 1.014 45 S CA 1.185 59.434 58.200 0.082 0.000 0.957 45 S CB -0.255 62.979 63.200 0.057 0.000 0.784 45 S HN 0.316 nan 8.310 nan 0.000 0.499 46 E N 1.408 121.598 120.200 -0.017 0.000 2.152 46 E HA 0.025 4.375 4.350 -0.000 0.000 0.192 46 E C 1.854 178.380 176.600 -0.123 0.000 0.983 46 E CA 0.905 57.261 56.400 -0.073 0.000 0.818 46 E CB -0.608 29.033 29.700 -0.098 0.000 0.758 46 E HN 0.358 nan 8.360 nan 0.000 0.467 47 V N 0.313 120.167 119.914 -0.099 0.000 2.287 47 V HA -0.272 3.847 4.120 -0.000 0.000 0.248 47 V C 2.437 178.511 176.094 -0.034 0.000 1.053 47 V CA 2.041 64.284 62.300 -0.095 0.000 1.027 47 V CB -0.856 31.039 31.823 0.121 0.000 0.646 47 V HN 0.384 nan 8.190 nan 0.000 0.447 48 S N 0.107 115.837 115.700 0.050 0.000 2.399 48 S HA -0.248 4.222 4.470 -0.000 0.000 0.231 48 S C 1.895 176.500 174.600 0.009 0.000 1.022 48 S CA 2.067 60.303 58.200 0.061 0.000 0.983 48 S CB -0.560 62.692 63.200 0.085 0.000 0.803 48 S HN 0.661 nan 8.310 nan 0.000 0.480 49 N N 0.458 119.144 118.700 -0.024 0.000 2.188 49 N HA -0.013 4.727 4.740 -0.000 0.000 0.184 49 N C 1.533 177.007 175.510 -0.061 0.000 1.018 49 N CA 1.439 54.468 53.050 -0.036 0.000 0.858 49 N CB -0.357 38.105 38.487 -0.042 0.000 0.989 49 N HN 0.274 nan 8.380 nan 0.000 0.426 50 V N 0.645 120.482 119.914 -0.129 0.000 2.427 50 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 50 V C 2.101 178.144 176.094 -0.085 0.000 1.051 50 V CA 1.471 63.669 62.300 -0.170 0.000 1.048 50 V CB -0.523 31.042 31.823 -0.430 0.000 0.666 50 V HN 0.389 nan 8.190 nan 0.000 0.456 51 Q N -0.296 119.472 119.800 -0.053 0.000 2.096 51 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 51 Q C 2.437 178.450 176.000 0.022 0.000 0.982 51 Q CA 1.896 57.711 55.803 0.019 0.000 0.850 51 Q CB -0.352 28.420 28.738 0.058 0.000 0.901 51 Q HN 0.520 nan 8.270 nan 0.000 0.422 52 R N 0.750 121.257 120.500 0.011 0.000 2.103 52 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 52 R C 1.985 178.282 176.300 -0.006 0.000 1.142 52 R CA 1.376 57.480 56.100 0.006 0.000 0.960 52 R CB -0.191 30.110 30.300 0.002 0.000 0.858 52 R HN 0.269 nan 8.270 nan 0.000 0.439 53 L N -0.216 121.002 121.223 -0.008 0.000 2.131 53 L HA -0.094 4.246 4.340 -0.000 0.000 0.206 53 L C 2.420 179.273 176.870 -0.028 0.000 1.087 53 L CA 0.516 55.346 54.840 -0.017 0.000 0.767 53 L CB -0.324 41.740 42.059 0.008 0.000 0.917 53 L HN 0.192 nan 8.230 nan 0.000 0.441 54 M N -0.252 119.359 119.600 0.020 0.000 2.446 54 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 54 M C 2.097 178.393 176.300 -0.007 0.000 1.066 54 M CA 1.436 56.759 55.300 0.038 0.000 1.087 54 M CB -1.066 31.601 32.600 0.112 0.000 1.406 54 M HN 0.225 nan 8.290 nan 0.000 0.459 55 R N 0.286 120.779 120.500 -0.011 0.000 2.240 55 R HA 0.056 4.395 4.340 -0.000 0.000 0.203 55 R C 0.352 176.624 176.300 -0.047 0.000 1.011 55 R CA 0.249 56.339 56.100 -0.018 0.000 1.007 55 R CB 0.133 30.433 30.300 0.000 0.000 0.911 55 R HN 0.385 nan 8.270 nan 0.000 0.468 56 K N 1.000 121.356 120.400 -0.074 0.000 2.382 56 K HA -0.034 4.286 4.320 -0.000 0.000 0.275 56 K C 0.563 177.082 176.600 -0.134 0.000 1.009 56 K CA 0.040 56.267 56.287 -0.100 0.000 0.970 56 K CB 0.749 33.176 32.500 -0.121 0.000 0.934 56 K HN -0.097 nan 8.250 nan 0.000 0.479 57 E N 1.650 121.783 120.200 -0.113 0.000 2.208 57 E HA -0.070 4.279 4.350 -0.000 0.000 0.193 57 E C -0.240 176.261 176.600 -0.166 0.000 0.988 57 E CA 1.117 57.445 56.400 -0.121 0.000 0.828 57 E CB 0.219 29.870 29.700 -0.082 0.000 0.763 57 E HN 0.295 nan 8.360 nan 0.000 0.478 58 R N -0.015 120.382 120.500 -0.170 0.000 2.575 58 R HA 0.559 4.898 4.340 -0.000 0.000 0.293 58 R C -0.705 175.450 176.300 -0.241 0.000 0.983 58 R CA -0.579 55.407 56.100 -0.191 0.000 0.887 58 R CB 2.024 32.260 30.300 -0.106 0.000 1.184 58 R HN -0.123 nan 8.270 nan 0.000 0.445 59 R N 0.814 121.093 120.500 -0.367 0.000 2.854 59 R HA 0.409 4.749 4.340 -0.000 0.000 0.271 59 R C -0.912 175.329 176.300 -0.099 0.000 0.994 59 R CA -0.919 54.944 56.100 -0.395 0.000 0.945 59 R CB 1.427 31.077 30.300 -1.082 0.000 1.194 59 R HN 0.676 nan 8.270 nan 0.000 0.476 60 D N -1.296 119.149 120.400 0.076 0.000 2.714 60 D HA 0.180 4.820 4.640 -0.000 0.000 0.278 60 D C -0.158 176.305 176.300 0.272 0.000 1.102 60 D CA -0.679 53.429 54.000 0.181 0.000 1.108 60 D CB 0.367 41.223 40.800 0.094 0.000 1.444 60 D HN 0.229 nan 8.370 nan 0.000 0.568 61 D N -0.883 119.634 120.400 0.195 0.000 2.178 61 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 61 D C 1.200 177.577 176.300 0.129 0.000 0.980 61 D CA 0.839 54.934 54.000 0.159 0.000 0.842 61 D CB -0.033 40.829 40.800 0.104 0.000 0.948 61 D HN 0.295 nan 8.370 nan 0.000 0.472 62 N N 1.185 119.950 118.700 0.109 0.000 2.120 62 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 62 N C 1.277 176.849 175.510 0.103 0.000 1.024 62 N CA 0.851 53.950 53.050 0.081 0.000 0.852 62 N CB -0.285 38.236 38.487 0.056 0.000 1.003 62 N HN 0.277 nan 8.380 nan 0.000 0.424 63 D N 0.673 121.167 120.400 0.158 0.000 2.117 63 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 63 D C 2.060 178.541 176.300 0.302 0.000 0.987 63 D CA 0.425 54.549 54.000 0.207 0.000 0.829 63 D CB -0.263 40.650 40.800 0.188 0.000 0.961 63 D HN 0.146 nan 8.370 nan 0.000 0.460 64 L N 1.193 122.630 121.223 0.357 0.000 2.093 64 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 64 L C 2.044 178.924 176.870 0.017 0.000 1.085 64 L CA 1.614 56.530 54.840 0.127 0.000 0.755 64 L CB -0.483 41.556 42.059 -0.033 0.000 0.904 64 L HN -0.225 nan 8.230 nan 0.000 0.435 65 K N -0.065 120.360 120.400 0.041 0.000 2.015 65 K HA -0.218 4.102 4.320 -0.000 0.000 0.216 65 K C 2.244 178.838 176.600 -0.010 0.000 1.052 65 K CA 1.768 58.060 56.287 0.008 0.000 0.937 65 K CB -0.312 32.202 32.500 0.023 0.000 0.719 65 K HN 0.176 nan 8.250 nan 0.000 0.446 66 R N 0.157 120.660 120.500 0.005 0.000 2.091 66 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 66 R C 2.312 178.571 176.300 -0.068 0.000 1.136 66 R CA 1.474 57.557 56.100 -0.029 0.000 0.959 66 R CB -1.134 29.154 30.300 -0.020 0.000 0.856 66 R HN 0.329 nan 8.270 nan 0.000 0.437 67 L N 1.329 122.523 121.223 -0.049 0.000 1.976 67 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 67 L C 2.334 179.133 176.870 -0.119 0.000 1.071 67 L CA 1.829 56.607 54.840 -0.104 0.000 0.746 67 L CB -0.456 41.555 42.059 -0.079 0.000 0.890 67 L HN -0.014 nan 8.230 nan 0.000 0.432 68 R N -0.437 119.992 120.500 -0.118 0.000 2.096 68 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 68 R C 1.901 178.157 176.300 -0.073 0.000 1.127 68 R CA 1.447 57.481 56.100 -0.110 0.000 0.968 68 R CB -0.479 29.757 30.300 -0.107 0.000 0.861 68 R HN 0.469 nan 8.270 nan 0.000 0.440 69 D N 0.504 120.866 120.400 -0.064 0.000 2.117 69 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 69 D C 1.754 178.021 176.300 -0.056 0.000 0.982 69 D CA 0.772 54.740 54.000 -0.053 0.000 0.828 69 D CB -0.154 40.617 40.800 -0.048 0.000 0.967 69 D HN 0.034 nan 8.370 nan 0.000 0.464 70 L N 1.126 122.303 121.223 -0.076 0.000 2.056 70 L HA -0.106 4.233 4.340 -0.000 0.000 0.207 70 L C 1.554 178.432 176.870 0.012 0.000 1.078 70 L CA 1.503 56.298 54.840 -0.076 0.000 0.749 70 L CB -0.624 41.318 42.059 -0.195 0.000 0.901 70 L HN -0.107 nan 8.230 nan 0.000 0.433 71 N N -0.377 118.341 118.700 0.031 0.000 2.061 71 N HA -0.261 4.479 4.740 -0.000 0.000 0.193 71 N C 1.848 177.357 175.510 -0.001 0.000 1.030 71 N CA 1.493 54.569 53.050 0.042 0.000 0.856 71 N CB -0.389 38.087 38.487 -0.017 0.000 1.023 71 N HN 0.429 nan 8.380 nan 0.000 0.424 72 Q N 0.790 120.577 119.800 -0.023 0.000 2.061 72 Q HA 0.016 4.356 4.340 -0.000 0.000 0.204 72 Q C 1.881 177.868 176.000 -0.022 0.000 0.984 72 Q CA 1.921 57.709 55.803 -0.025 0.000 0.846 72 Q CB -0.621 28.099 28.738 -0.031 0.000 0.902 72 Q HN 0.365 nan 8.270 nan 0.000 0.421 73 A N -0.568 122.236 122.820 -0.027 0.000 1.883 73 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 73 A C 2.301 179.867 177.584 -0.029 0.000 1.186 73 A CA 1.928 53.944 52.037 -0.034 0.000 0.624 73 A CB -1.067 17.901 19.000 -0.053 0.000 0.822 73 A HN 0.284 nan 8.150 nan 0.000 0.444 74 V N 0.554 120.460 119.914 -0.013 0.000 2.287 74 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 74 V C 2.393 178.476 176.094 -0.018 0.000 1.053 74 V CA 2.447 64.739 62.300 -0.014 0.000 1.027 74 V CB -1.203 30.622 31.823 0.003 0.000 0.646 74 V HN 0.786 nan 8.190 nan 0.000 0.447 75 N N 0.627 119.318 118.700 -0.015 0.000 2.149 75 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 75 N C 1.528 177.033 175.510 -0.008 0.000 1.019 75 N CA 1.441 54.484 53.050 -0.012 0.000 0.857 75 N CB -0.192 38.288 38.487 -0.012 0.000 0.997 75 N HN 0.428 nan 8.380 nan 0.000 0.426 76 N N -0.223 118.470 118.700 -0.011 0.000 2.512 76 N HA -0.021 4.719 4.740 -0.000 0.000 0.183 76 N C 0.934 176.442 175.510 -0.004 0.000 1.073 76 N CA 0.527 53.572 53.050 -0.007 0.000 0.911 76 N CB 0.084 38.564 38.487 -0.011 0.000 0.964 76 N HN 0.398 nan 8.380 nan 0.000 0.447 77 L N -0.286 120.933 121.223 -0.007 0.000 2.575 77 L HA 0.178 4.518 4.340 -0.000 0.000 0.228 77 L C 0.370 177.241 176.870 0.002 0.000 1.075 77 L CA -0.049 54.792 54.840 0.001 0.000 0.867 77 L CB 0.440 42.496 42.059 -0.004 0.000 1.097 77 L HN -0.081 nan 8.230 nan 0.000 0.485 78 V N -3.714 116.195 119.914 -0.009 0.000 2.612 78 V HA 0.321 4.441 4.120 -0.000 0.000 0.301 78 V C 0.657 176.738 176.094 -0.023 0.000 1.046 78 V CA -0.549 61.738 62.300 -0.023 0.000 0.946 78 V CB 1.704 33.504 31.823 -0.039 0.000 1.003 78 V HN 0.177 nan 8.190 nan 0.000 0.459 79 E N 2.526 122.700 120.200 -0.043 0.000 2.250 79 E HA 0.218 4.568 4.350 -0.000 0.000 0.192 79 E C 0.314 176.865 176.600 -0.083 0.000 0.986 79 E CA 0.224 56.602 56.400 -0.036 0.000 0.849 79 E CB 0.176 29.858 29.700 -0.030 0.000 0.797 79 E HN 0.655 nan 8.360 nan 0.000 0.482 80 L N 2.765 123.862 121.223 -0.210 0.000 2.462 80 L HA 0.137 4.476 4.340 -0.000 0.000 0.283 80 L C -0.163 176.660 176.870 -0.078 0.000 1.166 80 L CA 0.393 54.994 54.840 -0.397 0.000 0.964 80 L CB -0.166 41.539 42.059 -0.591 0.000 1.294 80 L HN -0.116 nan 8.230 nan 0.000 0.449 81 K N 1.809 122.302 120.400 0.154 0.000 2.482 81 K HA 0.417 4.736 4.320 -0.000 0.000 0.251 81 K C -0.788 175.982 176.600 0.283 0.000 0.936 81 K CA -0.600 55.791 56.287 0.174 0.000 0.791 81 K CB 2.546 35.110 32.500 0.108 0.000 1.213 81 K HN 0.229 nan 8.250 nan 0.000 0.428 82 S N 1.417 117.234 115.700 0.194 0.000 2.562 82 S HA 0.310 4.780 4.470 -0.000 0.000 0.275 82 S C 0.046 174.681 174.600 0.058 0.000 1.281 82 S CA -0.516 57.758 58.200 0.124 0.000 1.045 82 S CB 0.954 64.203 63.200 0.081 0.000 0.962 82 S HN 0.647 nan 8.310 nan 0.000 0.503 83 T N 0.564 115.131 114.554 0.022 0.000 2.932 83 T HA 0.502 4.852 4.350 -0.000 0.000 0.289 83 T C -0.473 174.211 174.700 -0.026 0.000 1.039 83 T CA -1.007 61.094 62.100 0.001 0.000 1.024 83 T CB 1.120 69.990 68.868 0.004 0.000 1.090 83 T HN 0.349 nan 8.240 nan 0.000 0.496 84 Q N 1.332 121.114 119.800 -0.031 0.000 2.244 84 Q HA 0.288 4.628 4.340 -0.000 0.000 0.278 84 Q C -0.704 175.266 176.000 -0.050 0.000 1.093 84 Q CA 0.592 56.367 55.803 -0.045 0.000 0.916 84 Q CB 0.353 29.065 28.738 -0.042 0.000 1.159 84 Q HN 0.669 nan 8.270 nan 0.000 0.384 85 Q N 3.141 122.903 119.800 -0.063 0.000 2.483 85 Q HA 0.257 4.597 4.340 -0.000 0.000 0.245 85 Q C -1.704 174.252 176.000 -0.073 0.000 0.902 85 Q CA -0.396 55.369 55.803 -0.064 0.000 0.767 85 Q CB 0.869 29.564 28.738 -0.071 0.000 1.341 85 Q HN 0.545 nan 8.270 nan 0.000 0.453 86 K N 1.804 122.166 120.400 -0.064 0.000 2.326 86 K HA 0.505 4.825 4.320 -0.000 0.000 0.275 86 K C -0.859 175.706 176.600 -0.059 0.000 1.018 86 K CA 0.078 56.326 56.287 -0.065 0.000 0.962 86 K CB 0.608 33.076 32.500 -0.053 0.000 0.953 86 K HN 0.683 nan 8.250 nan 0.000 0.475 87 S N 3.848 119.511 115.700 -0.061 0.000 2.532 87 S HA 0.488 4.958 4.470 -0.000 0.000 0.299 87 S C -0.496 174.080 174.600 -0.040 0.000 1.105 87 S CA -0.753 57.415 58.200 -0.053 0.000 1.018 87 S CB 1.052 64.214 63.200 -0.063 0.000 1.021 87 S HN 0.492 nan 8.310 nan 0.000 0.483 88 I N 3.355 123.907 120.570 -0.031 0.000 2.362 88 I HA 0.332 4.502 4.170 -0.000 0.000 0.289 88 I C -0.907 175.199 176.117 -0.018 0.000 0.994 88 I CA -0.629 60.658 61.300 -0.020 0.000 1.158 88 I CB 1.172 39.163 38.000 -0.016 0.000 1.315 88 I HN 0.365 nan 8.210 nan 0.000 0.451 89 L N 7.474 128.689 121.223 -0.014 0.000 2.265 89 L HA 0.487 4.826 4.340 -0.000 0.000 0.288 89 L C 0.108 176.975 176.870 -0.005 0.000 1.058 89 L CA -0.379 54.455 54.840 -0.011 0.000 0.809 89 L CB 0.332 42.385 42.059 -0.009 0.000 1.179 89 L HN 0.568 nan 8.230 nan 0.000 0.429 90 R N 2.110 122.606 120.500 -0.006 0.000 2.873 90 R HA 0.628 4.967 4.340 -0.000 0.000 0.264 90 R C -0.864 175.435 176.300 -0.003 0.000 1.026 90 R CA -1.172 54.926 56.100 -0.004 0.000 1.002 90 R CB 1.724 32.021 30.300 -0.005 0.000 1.174 90 R HN 0.196 nan 8.270 nan 0.000 0.488 91 V N 1.066 120.979 119.914 -0.001 0.000 2.763 91 V HA 0.253 4.373 4.120 -0.000 0.000 0.306 91 V C 1.040 177.133 176.094 -0.002 0.000 1.059 91 V CA 1.667 63.966 62.300 -0.001 0.000 1.138 91 V CB 0.764 32.587 31.823 -0.000 0.000 0.940 91 V HN 1.122 nan 8.190 nan 0.000 0.489 92 G N 3.070 111.870 108.800 -0.001 0.000 2.070 92 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.076 92 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.076 92 G C 0.814 175.715 174.900 0.001 0.000 0.735 92 G CA 0.310 45.410 45.100 -0.001 0.000 1.158 92 G HN 0.472 nan 8.290 nan 0.000 0.393 93 T N 1.661 116.216 114.554 0.001 0.000 2.788 93 T HA 0.113 4.463 4.350 -0.000 0.000 0.268 93 T C 1.158 175.860 174.700 0.004 0.000 1.044 93 T CA 0.978 63.080 62.100 0.005 0.000 1.139 93 T CB -0.294 68.578 68.868 0.006 0.000 0.867 93 T HN 0.180 nan 8.240 nan 0.000 0.454 94 L N 2.570 123.793 121.223 0.001 0.000 2.290 94 L HA 0.303 4.643 4.340 -0.000 0.000 0.284 94 L C 1.079 177.950 176.870 0.002 0.000 1.078 94 L CA -0.815 54.026 54.840 0.002 0.000 0.815 94 L CB 0.967 43.026 42.059 0.000 0.000 1.162 94 L HN 0.192 nan 8.230 nan 0.000 0.435 95 T N -1.200 113.355 114.554 0.002 0.000 2.766 95 T HA 0.037 4.387 4.350 -0.000 0.000 0.295 95 T C 1.340 176.041 174.700 0.002 0.000 1.024 95 T CA -0.027 62.074 62.100 0.001 0.000 1.018 95 T CB 1.343 70.211 68.868 -0.000 0.000 1.002 95 T HN 0.588 nan 8.240 nan 0.000 0.532 96 S N 0.101 115.802 115.700 0.002 0.000 2.359 96 S HA -0.250 4.220 4.470 -0.000 0.000 0.223 96 S C 1.739 176.341 174.600 0.004 0.000 1.039 96 S CA 2.294 60.495 58.200 0.003 0.000 1.042 96 S CB -1.131 62.069 63.200 0.001 0.000 0.915 96 S HN 0.918 nan 8.310 nan 0.000 0.439 97 D N 0.322 120.723 120.400 0.002 0.000 2.149 97 D HA -0.118 4.521 4.640 -0.000 0.000 0.198 97 D C 1.616 177.919 176.300 0.005 0.000 0.990 97 D CA 1.561 55.563 54.000 0.002 0.000 0.839 97 D CB -0.227 40.573 40.800 -0.001 0.000 0.948 97 D HN 0.412 nan 8.370 nan 0.000 0.460 98 D N -0.197 120.207 120.400 0.005 0.000 2.084 98 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 98 D C 2.293 178.603 176.300 0.016 0.000 0.990 98 D CA 0.706 54.711 54.000 0.009 0.000 0.826 98 D CB -0.331 40.473 40.800 0.006 0.000 0.971 98 D HN 0.325 nan 8.370 nan 0.000 0.453 99 L N 0.304 121.535 121.223 0.014 0.000 2.083 99 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 99 L C 2.631 179.514 176.870 0.022 0.000 1.083 99 L CA 0.549 55.399 54.840 0.017 0.000 0.752 99 L CB -0.425 41.641 42.059 0.012 0.000 0.899 99 L HN 0.028 nan 8.230 nan 0.000 0.433 100 L N -0.334 120.900 121.223 0.019 0.000 2.012 100 L HA -0.248 4.091 4.340 -0.000 0.000 0.210 100 L C 2.503 179.391 176.870 0.031 0.000 1.073 100 L CA 1.467 56.319 54.840 0.021 0.000 0.748 100 L CB -0.382 41.686 42.059 0.015 0.000 0.891 100 L HN 0.179 nan 8.230 nan 0.000 0.431 101 I N -0.569 120.019 120.570 0.031 0.000 2.179 101 I HA -0.330 3.839 4.170 -0.000 0.000 0.242 101 I C 2.382 178.540 176.117 0.069 0.000 1.088 101 I CA 1.443 62.770 61.300 0.045 0.000 1.357 101 I CB -0.235 37.785 38.000 0.033 0.000 1.051 101 I HN 0.190 nan 8.210 nan 0.000 0.409 102 L N 0.228 121.489 121.223 0.063 0.000 2.131 102 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 102 L C 2.735 179.644 176.870 0.064 0.000 1.092 102 L CA 1.230 56.114 54.840 0.073 0.000 0.759 102 L CB -0.605 41.486 42.059 0.053 0.000 0.903 102 L HN 0.247 nan 8.230 nan 0.000 0.435 103 A N -0.231 122.619 122.820 0.051 0.000 1.897 103 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 103 A C 2.514 180.128 177.584 0.049 0.000 1.181 103 A CA 1.443 53.508 52.037 0.047 0.000 0.620 103 A CB -0.623 18.399 19.000 0.037 0.000 0.821 103 A HN 0.369 nan 8.150 nan 0.000 0.443 104 A N -0.010 122.842 122.820 0.053 0.000 1.902 104 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 104 A C 1.768 179.397 177.584 0.075 0.000 1.181 104 A CA 1.928 53.999 52.037 0.057 0.000 0.623 104 A CB -0.536 18.498 19.000 0.056 0.000 0.818 104 A HN 0.424 nan 8.150 nan 0.000 0.443 105 D N -0.111 120.347 120.400 0.097 0.000 2.144 105 D HA -0.060 4.579 4.640 -0.000 0.000 0.200 105 D C 1.902 178.246 176.300 0.074 0.000 0.978 105 D CA 0.842 54.914 54.000 0.120 0.000 0.833 105 D CB -0.263 40.655 40.800 0.195 0.000 0.961 105 D HN 0.432 nan 8.370 nan 0.000 0.470 106 L N 0.671 121.933 121.223 0.065 0.000 2.093 106 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 106 L C 2.413 179.299 176.870 0.026 0.000 1.085 106 L CA 0.932 55.816 54.840 0.072 0.000 0.755 106 L CB -0.216 41.901 42.059 0.098 0.000 0.904 106 L HN -0.034 nan 8.230 nan 0.000 0.435 107 E N 0.569 120.772 120.200 0.005 0.000 2.110 107 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 107 E C 2.138 178.697 176.600 -0.068 0.000 0.988 107 E CA 1.238 57.607 56.400 -0.051 0.000 0.804 107 E CB 0.131 29.823 29.700 -0.013 0.000 0.745 107 E HN 0.452 nan 8.360 nan 0.000 0.458 108 K N 0.217 120.615 120.400 -0.003 0.000 2.025 108 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 108 K C 2.257 178.847 176.600 -0.016 0.000 1.049 108 K CA 0.779 57.077 56.287 0.019 0.000 0.933 108 K CB -0.233 32.321 32.500 0.090 0.000 0.714 108 K HN 0.023 nan 8.250 nan 0.000 0.438 109 L N 2.190 123.412 121.223 -0.002 0.000 2.017 109 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 109 L C 2.257 179.079 176.870 -0.081 0.000 1.073 109 L CA 1.831 56.681 54.840 0.016 0.000 0.745 109 L CB -0.443 41.676 42.059 0.100 0.000 0.894 109 L HN 0.051 nan 8.230 nan 0.000 0.432 110 K N -1.119 119.122 120.400 -0.265 0.000 2.020 110 K HA -0.253 4.067 4.320 -0.000 0.000 0.212 110 K C 2.349 178.588 176.600 -0.600 0.000 1.050 110 K CA 1.980 57.743 56.287 -0.874 0.000 0.929 110 K CB -0.465 31.396 32.500 -1.065 0.000 0.714 110 K HN 0.445 nan 8.250 nan 0.000 0.443 111 S N 0.658 116.150 115.700 -0.347 0.000 2.356 111 S HA -0.212 4.258 4.470 -0.000 0.000 0.223 111 S C 2.008 176.507 174.600 -0.167 0.000 1.032 111 S CA 1.973 60.030 58.200 -0.238 0.000 1.005 111 S CB -0.335 62.757 63.200 -0.180 0.000 0.867 111 S HN 0.470 nan 8.310 nan 0.000 0.449 112 K N 0.303 120.633 120.400 -0.117 0.000 2.044 112 K HA -0.098 4.222 4.320 -0.000 0.000 0.210 112 K C 1.917 178.477 176.600 -0.066 0.000 1.049 112 K CA 1.997 58.245 56.287 -0.066 0.000 0.927 112 K CB -0.462 32.025 32.500 -0.023 0.000 0.713 112 K HN 0.323 nan 8.250 nan 0.000 0.443 113 V N 1.351 121.223 119.914 -0.070 0.000 2.358 113 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 113 V C 2.334 178.428 176.094 0.001 0.000 1.047 113 V CA 1.754 64.045 62.300 -0.015 0.000 1.035 113 V CB -0.327 31.571 31.823 0.125 0.000 0.658 113 V HN 0.332 nan 8.190 nan 0.000 0.452 114 I N -0.231 120.310 120.570 -0.049 0.000 2.226 114 I HA -0.243 3.926 4.170 -0.000 0.000 0.245 114 I C 2.629 178.730 176.117 -0.026 0.000 1.100 114 I CA 1.615 62.906 61.300 -0.015 0.000 1.374 114 I CB -0.379 37.580 38.000 -0.069 0.000 1.057 114 I HN 0.211 nan 8.210 nan 0.000 0.413 115 R N -0.225 120.242 120.500 -0.055 0.000 2.235 115 R HA -0.054 4.285 4.340 -0.000 0.000 0.213 115 R C 2.040 178.320 176.300 -0.032 0.000 1.059 115 R CA 1.314 57.386 56.100 -0.046 0.000 0.997 115 R CB -0.421 29.842 30.300 -0.061 0.000 0.884 115 R HN 0.370 nan 8.270 nan 0.000 0.462 116 T N 0.614 115.149 114.554 -0.032 0.000 2.894 116 T HA -0.022 4.327 4.350 -0.000 0.000 0.258 116 T C 1.445 176.130 174.700 -0.026 0.000 1.043 116 T CA 0.977 63.058 62.100 -0.032 0.000 1.141 116 T CB 0.155 68.998 68.868 -0.043 0.000 0.873 116 T HN 0.347 nan 8.240 nan 0.000 0.449 117 E N 0.396 120.588 120.200 -0.014 0.000 2.244 117 E HA 0.181 4.531 4.350 -0.000 0.000 0.196 117 E C 2.309 178.918 176.600 0.014 0.000 0.939 117 E CA -0.107 56.288 56.400 -0.009 0.000 0.884 117 E CB 0.109 29.807 29.700 -0.003 0.000 0.850 117 E HN 0.177 nan 8.360 nan 0.000 0.481 118 R N 1.140 121.655 120.500 0.025 0.000 2.105 118 R HA -0.099 4.241 4.340 -0.000 0.000 0.239 118 R C -0.754 175.566 176.300 0.033 0.000 1.135 118 R CA 1.374 57.494 56.100 0.034 0.000 0.967 118 R CB -0.680 29.637 30.300 0.029 0.000 0.861 118 R HN 0.061 nan 8.270 nan 0.000 0.442 119 P HA -0.096 nan 4.420 nan 0.000 0.225 119 P C 0.721 178.046 177.300 0.042 0.000 1.148 119 P CA 0.974 64.089 63.100 0.024 0.000 0.779 119 P CB 0.009 31.714 31.700 0.009 0.000 0.780 120 L N -0.989 120.267 121.223 0.055 0.000 2.265 120 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 120 L C 2.094 179.064 176.870 0.167 0.000 1.117 120 L CA 1.854 56.754 54.840 0.100 0.000 0.782 120 L CB -0.645 41.490 42.059 0.126 0.000 0.914 120 L HN 0.161 nan 8.230 nan 0.000 0.441 121 S N -2.283 113.502 115.700 0.143 0.000 2.830 121 S HA 0.232 4.702 4.470 -0.000 0.000 0.249 121 S C 1.975 176.639 174.600 0.106 0.000 1.084 121 S CA 0.217 58.516 58.200 0.164 0.000 0.852 121 S CB -0.012 63.279 63.200 0.152 0.000 0.802 121 S HN 0.156 nan 8.310 nan 0.000 0.481 122 A N 2.192 125.056 122.820 0.073 0.000 1.877 122 A HA 0.488 4.808 4.320 -0.000 0.000 0.216 122 A C 1.623 179.237 177.584 0.050 0.000 1.186 122 A CA 1.276 53.343 52.037 0.050 0.000 0.620 122 A CB -1.455 17.562 19.000 0.028 0.000 0.822 122 A HN 1.842 nan 8.150 nan 0.000 0.443 123 G N -3.053 105.776 108.800 0.048 0.000 2.699 123 G HA2 0.155 4.115 3.960 -0.000 0.000 0.686 123 G HA3 0.155 4.115 3.960 -0.000 0.000 0.686 123 G C -0.785 174.142 174.900 0.044 0.000 1.301 123 G CA -0.425 44.703 45.100 0.045 0.000 0.816 123 G HN 1.173 nan 8.290 nan 0.000 0.595 124 V N 1.176 121.116 119.914 0.045 0.000 2.577 124 V HA 0.497 4.616 4.120 -0.000 0.000 0.303 124 V C -0.199 175.942 176.094 0.078 0.000 1.042 124 V CA -0.838 61.494 62.300 0.053 0.000 0.872 124 V CB 1.782 33.617 31.823 0.021 0.000 0.998 124 V HN 1.105 nan 8.190 nan 0.000 0.423 125 Y N 6.177 126.471 120.300 -0.010 0.000 2.496 125 Y HA 0.297 4.847 4.550 -0.000 0.000 0.334 125 Y C 0.634 176.527 175.900 -0.011 0.000 1.080 125 Y CA -0.025 58.069 58.100 -0.010 0.000 1.355 125 Y CB 0.806 39.260 38.460 -0.011 0.000 1.193 125 Y HN 0.557 nan 8.280 nan 0.000 0.523 126 M N 7.080 126.370 119.600 -0.515 0.000 2.963 126 M HA 0.271 4.751 4.480 -0.000 0.000 0.350 126 M C 0.593 176.530 176.300 -0.604 0.000 1.253 126 M CA -0.046 54.989 55.300 -0.442 0.000 0.856 126 M CB 0.052 32.522 32.600 -0.215 0.000 1.356 126 M HN 0.884 nan 8.290 nan 0.000 0.510 127 G N 1.301 109.376 108.800 -1.209 0.000 3.387 127 G HA2 0.046 4.006 3.960 -0.000 0.000 0.195 127 G HA3 0.046 4.006 3.960 -0.000 0.000 0.195 127 G C 0.174 174.912 174.900 -0.270 0.000 1.853 127 G CA -0.122 44.571 45.100 -0.679 0.000 0.879 127 G HN 0.429 nan 8.290 nan 0.000 0.651 128 N N 0.850 119.564 118.700 0.024 0.000 2.549 128 N HA 0.296 5.036 4.740 -0.000 0.000 0.267 128 N C -0.692 174.911 175.510 0.157 0.000 1.182 128 N CA 0.127 53.242 53.050 0.108 0.000 1.019 128 N CB -0.706 37.861 38.487 0.133 0.000 1.380 128 N HN 0.220 nan 8.380 nan 0.000 0.505 129 L N 0.412 121.676 121.223 0.069 0.000 2.359 129 L HA 0.488 4.828 4.340 -0.000 0.000 0.256 129 L C 0.388 177.275 176.870 0.028 0.000 1.026 129 L CA -1.225 53.657 54.840 0.070 0.000 0.828 129 L CB 1.819 43.916 42.059 0.063 0.000 1.406 129 L HN 0.347 nan 8.230 nan 0.000 0.413 130 S N -0.666 115.050 115.700 0.025 0.000 2.576 130 S HA 0.006 4.475 4.470 -0.000 0.000 0.272 130 S C 1.149 175.750 174.600 0.003 0.000 1.352 130 S CA 0.153 58.360 58.200 0.012 0.000 1.021 130 S CB 1.362 64.569 63.200 0.011 0.000 0.887 130 S HN 0.671 nan 8.310 nan 0.000 0.542 131 S N 0.486 116.185 115.700 -0.001 0.000 2.374 131 S HA -0.248 4.222 4.470 -0.000 0.000 0.227 131 S C 1.974 176.571 174.600 -0.005 0.000 1.037 131 S CA 1.896 60.093 58.200 -0.006 0.000 1.024 131 S CB -0.754 62.442 63.200 -0.005 0.000 0.861 131 S HN 0.845 nan 8.310 nan 0.000 0.456 132 Q N 0.086 119.885 119.800 -0.001 0.000 2.061 132 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 132 Q C 2.293 178.294 176.000 0.002 0.000 0.984 132 Q CA 1.955 57.758 55.803 0.001 0.000 0.846 132 Q CB -0.174 28.566 28.738 0.003 0.000 0.902 132 Q HN 0.671 nan 8.270 nan 0.000 0.421 133 Q N -0.157 119.646 119.800 0.005 0.000 2.079 133 Q HA -0.120 4.219 4.340 -0.000 0.000 0.200 133 Q C 2.248 178.248 176.000 0.001 0.000 0.974 133 Q CA 1.239 57.048 55.803 0.009 0.000 0.840 133 Q CB -0.030 28.722 28.738 0.023 0.000 0.898 133 Q HN 0.396 nan 8.270 nan 0.000 0.430 134 L N 0.802 122.020 121.223 -0.008 0.000 2.046 134 L HA -0.235 4.104 4.340 -0.000 0.000 0.208 134 L C 1.816 178.673 176.870 -0.021 0.000 1.077 134 L CA 1.045 55.871 54.840 -0.024 0.000 0.747 134 L CB -0.376 41.663 42.059 -0.034 0.000 0.896 134 L HN 0.191 nan 8.230 nan 0.000 0.432 135 D N -0.418 119.974 120.400 -0.014 0.000 2.097 135 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 135 D C 2.301 178.596 176.300 -0.009 0.000 0.989 135 D CA 1.086 55.079 54.000 -0.012 0.000 0.827 135 D CB -0.173 40.622 40.800 -0.009 0.000 0.966 135 D HN 0.356 nan 8.370 nan 0.000 0.456 136 Q N 0.068 119.865 119.800 -0.006 0.000 2.124 136 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 136 Q C 2.272 178.268 176.000 -0.005 0.000 0.977 136 Q CA 1.101 56.902 55.803 -0.003 0.000 0.850 136 Q CB 0.060 28.799 28.738 0.000 0.000 0.901 136 Q HN 0.220 nan 8.270 nan 0.000 0.429 137 R N -0.099 120.397 120.500 -0.007 0.000 2.073 137 R HA -0.024 4.316 4.340 -0.000 0.000 0.229 137 R C 2.269 178.559 176.300 -0.016 0.000 1.120 137 R CA 0.901 56.995 56.100 -0.010 0.000 0.967 137 R CB -0.091 30.203 30.300 -0.010 0.000 0.862 137 R HN 0.112 nan 8.270 nan 0.000 0.436 138 R N 0.301 120.789 120.500 -0.020 0.000 2.105 138 R HA -0.118 4.221 4.340 -0.000 0.000 0.239 138 R C 2.283 178.573 176.300 -0.016 0.000 1.135 138 R CA 1.445 57.532 56.100 -0.021 0.000 0.967 138 R CB -0.337 29.950 30.300 -0.023 0.000 0.861 138 R HN 0.228 nan 8.270 nan 0.000 0.442 139 A N 1.145 123.958 122.820 -0.012 0.000 1.877 139 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 139 A C 2.073 179.652 177.584 -0.010 0.000 1.186 139 A CA 1.164 53.195 52.037 -0.009 0.000 0.620 139 A CB -0.497 18.500 19.000 -0.005 0.000 0.822 139 A HN 0.281 nan 8.150 nan 0.000 0.443 140 L N -0.181 121.036 121.223 -0.010 0.000 2.017 140 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 140 L C 2.262 179.123 176.870 -0.014 0.000 1.073 140 L CA 1.711 56.544 54.840 -0.011 0.000 0.745 140 L CB -0.481 41.571 42.059 -0.011 0.000 0.894 140 L HN 0.395 nan 8.230 nan 0.000 0.432 141 L N -0.233 120.981 121.223 -0.016 0.000 2.042 141 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 141 L C 2.319 179.178 176.870 -0.019 0.000 1.076 141 L CA 1.490 56.319 54.840 -0.018 0.000 0.749 141 L CB -0.815 41.231 42.059 -0.022 0.000 0.893 141 L HN 0.411 nan 8.230 nan 0.000 0.432 142 N N -0.263 118.427 118.700 -0.017 0.000 2.142 142 N HA -0.152 4.587 4.740 -0.000 0.000 0.186 142 N C 1.844 177.345 175.510 -0.015 0.000 1.023 142 N CA 1.218 54.259 53.050 -0.016 0.000 0.852 142 N CB -0.244 38.235 38.487 -0.013 0.000 0.998 142 N HN 0.261 nan 8.380 nan 0.000 0.424 143 M N 0.402 119.993 119.600 -0.014 0.000 2.195 143 M HA -0.100 4.380 4.480 -0.000 0.000 0.260 143 M C 1.347 177.636 176.300 -0.019 0.000 1.066 143 M CA 1.292 56.584 55.300 -0.014 0.000 1.089 143 M CB -0.254 32.339 32.600 -0.011 0.000 1.377 143 M HN 0.208 nan 8.290 nan 0.000 0.411 144 I N -4.364 116.193 120.570 -0.021 0.000 3.928 144 I HA 0.401 4.571 4.170 -0.000 0.000 0.335 144 I C 1.072 177.172 176.117 -0.028 0.000 1.325 144 I CA 0.432 61.716 61.300 -0.026 0.000 1.107 144 I CB -0.231 37.754 38.000 -0.024 0.000 1.014 144 I HN 0.393 nan 8.210 nan 0.000 0.400 145 G N 1.532 110.317 108.800 -0.024 0.000 2.199 145 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.254 145 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.254 145 G C 0.245 175.129 174.900 -0.027 0.000 0.982 145 G CA 0.447 45.532 45.100 -0.024 0.000 0.632 145 G HN 0.411 nan 8.290 nan 0.000 0.529 159 G N 0.162 108.985 108.800 0.038 0.000 2.268 159 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.240 159 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.240 159 G C 0.122 174.950 174.900 -0.120 0.000 1.010 159 G CA 0.245 45.282 45.100 -0.105 0.000 0.618 159 G HN 0.547 nan 8.290 nan 0.000 0.516 160 V N 2.122 122.068 119.914 0.054 0.000 2.383 160 V HA 0.555 4.675 4.120 -0.000 0.000 0.275 160 V C 0.625 176.723 176.094 0.006 0.000 1.036 160 V CA -0.639 61.699 62.300 0.063 0.000 0.889 160 V CB 1.670 33.559 31.823 0.111 0.000 0.985 160 V HN 0.340 nan 8.190 nan 0.000 0.459 161 V N 7.370 127.275 119.914 -0.016 0.000 2.385 161 V HA 0.574 4.694 4.120 -0.000 0.000 0.269 161 V C 0.296 176.389 176.094 -0.001 0.000 1.043 161 V CA -0.449 61.839 62.300 -0.021 0.000 0.906 161 V CB 0.696 32.494 31.823 -0.041 0.000 0.995 161 V HN 1.055 nan 8.190 nan 0.000 0.467 162 R N 3.240 123.739 120.500 -0.002 0.000 2.799 162 R HA 0.773 5.113 4.340 -0.000 0.000 0.270 162 R C -0.810 175.475 176.300 -0.026 0.000 1.010 162 R CA -0.895 55.212 56.100 0.011 0.000 0.916 162 R CB 1.892 32.219 30.300 0.046 0.000 1.228 162 R HN 0.133 nan 8.270 nan 0.000 0.469 163 V N -0.953 118.944 119.914 -0.030 0.000 2.922 163 V HA 0.217 4.337 4.120 -0.000 0.000 0.242 163 V C -0.345 175.583 176.094 -0.275 0.000 1.094 163 V CA 0.284 62.483 62.300 -0.168 0.000 1.106 163 V CB -0.014 31.698 31.823 -0.186 0.000 0.799 163 V HN 0.582 nan 8.190 nan 0.000 0.474 164 W N 0.731 122.038 121.300 0.012 0.000 2.411 164 W HA 0.528 5.188 4.660 -0.001 0.000 0.317 164 W C -0.753 175.788 176.519 0.037 0.000 1.030 164 W CA -0.453 56.913 57.345 0.034 0.000 1.239 164 W CB 1.155 30.644 29.460 0.049 0.000 1.304 164 W HN -0.083 nan 8.180 nan 0.000 0.437 165 D N 4.180 124.731 120.400 0.252 0.000 2.467 165 D HA 0.372 5.012 4.640 -0.000 0.000 0.220 165 D C -1.016 175.407 176.300 0.205 0.000 1.103 165 D CA -0.175 53.930 54.000 0.176 0.000 0.886 165 D CB 0.585 41.446 40.800 0.101 0.000 1.025 165 D HN 0.156 nan 8.370 nan 0.000 0.514 166 V N 1.359 121.388 119.914 0.191 0.000 3.007 166 V HA 0.485 4.604 4.120 -0.000 0.000 0.311 166 V C 1.170 177.335 176.094 0.117 0.000 1.120 166 V CA -0.992 61.407 62.300 0.165 0.000 0.980 166 V CB 1.964 33.890 31.823 0.171 0.000 1.033 166 V HN 0.323 nan 8.190 nan 0.000 0.429 167 K N 2.156 122.614 120.400 0.097 0.000 2.031 167 K HA -0.009 4.310 4.320 -0.000 0.000 0.205 167 K C 0.611 177.260 176.600 0.081 0.000 1.049 167 K CA 1.797 58.136 56.287 0.087 0.000 0.939 167 K CB 0.042 32.587 32.500 0.074 0.000 0.717 167 K HN 0.839 nan 8.250 nan 0.000 0.438 168 N N -0.209 118.529 118.700 0.062 0.000 2.623 168 N HA 0.233 4.973 4.740 -0.000 0.000 0.256 168 N C -0.280 175.248 175.510 0.030 0.000 1.045 168 N CA -0.075 53.006 53.050 0.051 0.000 0.863 168 N CB 1.669 40.181 38.487 0.040 0.000 1.182 168 N HN 0.234 nan 8.380 nan 0.000 0.523 169 A N 2.806 125.651 122.820 0.040 0.000 2.070 169 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 169 A C 1.584 179.166 177.584 -0.002 0.000 1.159 169 A CA 1.125 53.173 52.037 0.018 0.000 0.656 169 A CB -0.328 18.699 19.000 0.046 0.000 0.800 169 A HN 0.793 nan 8.150 nan 0.000 0.453 170 E N -0.119 120.090 120.200 0.015 0.000 2.265 170 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 170 E C 1.395 177.981 176.600 -0.023 0.000 0.996 170 E CA 0.658 57.063 56.400 0.007 0.000 0.832 170 E CB -0.291 29.421 29.700 0.019 0.000 0.756 170 E HN 0.669 nan 8.360 nan 0.000 0.491 171 L N 0.483 121.682 121.223 -0.039 0.000 2.456 171 L HA -0.123 4.217 4.340 -0.000 0.000 0.224 171 L C 1.918 178.714 176.870 -0.123 0.000 1.148 171 L CA 0.391 55.187 54.840 -0.073 0.000 0.825 171 L CB -0.197 41.821 42.059 -0.068 0.000 0.937 171 L HN 0.190 nan 8.230 nan 0.000 0.450 172 L N -1.000 120.154 121.223 -0.115 0.000 2.395 172 L HA -0.020 4.320 4.340 -0.000 0.000 0.218 172 L C 0.626 177.516 176.870 0.034 0.000 1.130 172 L CA -0.026 54.766 54.840 -0.080 0.000 0.826 172 L CB -0.500 41.487 42.059 -0.120 0.000 0.941 172 L HN 0.283 nan 8.230 nan 0.000 0.451 173 N N 2.295 120.995 118.700 -0.000 0.000 2.447 173 N HA -0.060 4.680 4.740 -0.000 0.000 0.263 173 N C 0.198 175.711 175.510 0.005 0.000 1.226 173 N CA 0.426 53.488 53.050 0.019 0.000 0.906 173 N CB 0.122 38.600 38.487 -0.014 0.000 1.060 173 N HN 0.171 nan 8.380 nan 0.000 0.468 174 N N 0.648 119.381 118.700 0.055 0.000 2.776 174 N HA -0.166 4.573 4.740 -0.000 0.000 0.250 174 N C -0.232 175.256 175.510 -0.037 0.000 1.112 174 N CA 0.484 53.553 53.050 0.031 0.000 0.733 174 N CB -0.631 37.855 38.487 -0.003 0.000 1.097 174 N HN 0.627 nan 8.380 nan 0.000 0.558 175 Q N -1.068 118.661 119.800 -0.117 0.000 2.282 175 Q HA 0.283 4.623 4.340 -0.000 0.000 0.206 175 Q C 0.642 176.284 176.000 -0.597 0.000 0.878 175 Q CA 0.307 55.854 55.803 -0.426 0.000 0.944 175 Q CB 0.114 28.430 28.738 -0.705 0.000 1.100 175 Q HN 0.517 nan 8.270 nan 0.000 0.509 176 F N -0.720 119.227 119.950 -0.003 0.000 2.772 176 F HA 0.350 4.876 4.527 -0.001 0.000 0.316 176 F C 1.276 177.069 175.800 -0.011 0.000 1.114 176 F CA -0.705 57.305 58.000 0.017 0.000 1.191 176 F CB 0.576 39.593 39.000 0.029 0.000 1.065 176 F HN -0.141 nan 8.300 nan 0.000 0.534 177 G N 0.877 109.730 108.800 0.089 0.000 2.527 177 G HA2 0.396 4.356 3.960 -0.000 0.000 0.248 177 G HA3 0.396 4.356 3.960 -0.000 0.000 0.248 177 G C 0.113 175.006 174.900 -0.012 0.000 1.231 177 G CA -0.177 44.950 45.100 0.046 0.000 0.838 177 G HN 0.123 nan 8.290 nan 0.000 0.570 178 T N -1.008 113.544 114.554 -0.003 0.000 2.922 178 T HA 0.626 4.976 4.350 -0.000 0.000 0.285 178 T C 0.085 174.771 174.700 -0.024 0.000 1.005 178 T CA -0.677 61.400 62.100 -0.038 0.000 1.061 178 T CB 1.384 70.247 68.868 -0.008 0.000 1.007 178 T HN 0.827 nan 8.240 nan 0.000 0.502 179 M N 0.437 120.005 119.600 -0.053 0.000 2.271 179 M HA 0.447 4.927 4.480 -0.000 0.000 0.285 179 M C -2.816 173.469 176.300 -0.025 0.000 1.059 179 M CA -2.241 53.041 55.300 -0.030 0.000 0.940 179 M CB 2.301 34.871 32.600 -0.051 0.000 1.636 179 M HN 0.166 nan 8.290 nan 0.000 0.460 180 P HA -0.242 nan 4.420 nan 0.000 0.217 180 P C 1.578 178.877 177.300 -0.002 0.000 1.158 180 P CA 2.727 65.829 63.100 0.003 0.000 0.887 180 P CB 0.033 31.732 31.700 -0.002 0.000 0.792 181 S N -1.138 114.549 115.700 -0.020 0.000 2.368 181 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 181 S C 1.918 176.529 174.600 0.018 0.000 1.030 181 S CA 1.186 59.381 58.200 -0.009 0.000 0.999 181 S CB -1.599 61.582 63.200 -0.032 0.000 0.844 181 S HN 0.011 nan 8.310 nan 0.000 0.459 182 L N 2.250 123.466 121.223 -0.013 0.000 2.056 182 L HA 0.013 4.353 4.340 -0.000 0.000 0.207 182 L C 2.449 179.344 176.870 0.041 0.000 1.078 182 L CA 2.156 56.987 54.840 -0.014 0.000 0.749 182 L CB -1.479 40.492 42.059 -0.147 0.000 0.901 182 L HN 0.344 nan 8.230 nan 0.000 0.433 183 T N -0.154 114.418 114.554 0.030 0.000 2.674 183 T HA -0.189 4.160 4.350 -0.000 0.000 0.265 183 T C 1.819 176.617 174.700 0.163 0.000 1.039 183 T CA 1.649 63.814 62.100 0.108 0.000 1.150 183 T CB -0.484 68.435 68.868 0.085 0.000 0.864 183 T HN 0.270 nan 8.240 nan 0.000 0.427 184 L N 1.453 122.734 121.223 0.096 0.000 2.013 184 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 184 L C 2.589 179.520 176.870 0.100 0.000 1.073 184 L CA 2.086 56.972 54.840 0.078 0.000 0.753 184 L CB -1.044 41.041 42.059 0.042 0.000 0.890 184 L HN 0.261 nan 8.230 nan 0.000 0.432 185 A N -1.890 121.013 122.820 0.139 0.000 1.898 185 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 185 A C 2.371 180.093 177.584 0.230 0.000 1.181 185 A CA 1.586 53.740 52.037 0.194 0.000 0.620 185 A CB -1.331 17.845 19.000 0.293 0.000 0.819 185 A HN 0.619 nan 8.150 nan 0.000 0.442 186 C N -0.753 118.749 119.300 0.337 0.000 2.446 186 C HA -0.015 4.445 4.460 -0.000 0.000 0.277 186 C C 2.600 177.771 174.990 0.301 0.000 1.275 186 C CA 0.829 60.099 59.018 0.420 0.000 1.727 186 C CB -1.544 26.512 27.740 0.526 0.000 2.010 186 C HN 0.626 nan 8.230 nan 0.000 0.486 187 L N 0.553 121.924 121.223 0.246 0.000 1.990 187 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 187 L C 2.746 179.576 176.870 -0.067 0.000 1.072 187 L CA 2.035 56.858 54.840 -0.029 0.000 0.755 187 L CB -1.194 40.852 42.059 -0.022 0.000 0.889 187 L HN 0.397 nan 8.230 nan 0.000 0.432 188 T N -0.714 113.819 114.554 -0.035 0.000 2.580 188 T HA -0.276 4.073 4.350 -0.000 0.000 0.265 188 T C 1.904 176.521 174.700 -0.139 0.000 1.063 188 T CA 1.941 63.996 62.100 -0.075 0.000 1.170 188 T CB -0.180 68.656 68.868 -0.053 0.000 0.863 188 T HN 0.091 nan 8.240 nan 0.000 0.418 189 K N 1.115 121.366 120.400 -0.249 0.000 2.001 189 K HA -0.008 4.312 4.320 -0.000 0.000 0.208 189 K C 2.347 178.809 176.600 -0.231 0.000 1.048 189 K CA 1.486 57.532 56.287 -0.402 0.000 0.932 189 K CB -0.288 31.554 32.500 -1.096 0.000 0.715 189 K HN 0.385 nan 8.250 nan 0.000 0.437 190 Q N -1.245 118.480 119.800 -0.125 0.000 2.389 190 Q HA 0.074 4.414 4.340 -0.000 0.000 0.204 190 Q C 1.713 177.675 176.000 -0.063 0.000 0.944 190 Q CA 1.003 56.796 55.803 -0.017 0.000 0.908 190 Q CB 0.298 29.127 28.738 0.152 0.000 1.002 190 Q HN 0.485 nan 8.270 nan 0.000 0.493 191 G N 0.029 108.762 108.800 -0.113 0.000 2.838 191 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.210 191 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.210 191 G C 0.172 175.018 174.900 -0.090 0.000 1.153 191 G CA -0.266 44.757 45.100 -0.127 0.000 0.778 191 G HN 0.283 nan 8.290 nan 0.000 0.539 192 Q N -0.911 118.837 119.800 -0.086 0.000 2.460 192 Q HA -0.156 4.184 4.340 -0.000 0.000 0.311 192 Q C -0.292 175.673 176.000 -0.058 0.000 1.396 192 Q CA 0.374 56.135 55.803 -0.070 0.000 0.838 192 Q CB -2.061 26.645 28.738 -0.053 0.000 1.140 192 Q HN 0.655 nan 8.270 nan 0.000 0.415 193 V N -4.122 115.756 119.914 -0.060 0.000 3.102 193 V HA 0.641 4.760 4.120 -0.000 0.000 0.312 193 V C 0.014 176.084 176.094 -0.040 0.000 1.135 193 V CA -1.259 61.015 62.300 -0.043 0.000 1.022 193 V CB 2.268 34.068 31.823 -0.038 0.000 1.056 193 V HN 0.039 nan 8.190 nan 0.000 0.436 194 D N 1.265 121.649 120.400 -0.026 0.000 2.414 194 D HA 0.172 4.811 4.640 -0.000 0.000 0.242 194 D C 0.949 177.238 176.300 -0.018 0.000 1.129 194 D CA 0.036 54.024 54.000 -0.021 0.000 0.885 194 D CB 1.547 42.340 40.800 -0.012 0.000 1.198 194 D HN 0.695 nan 8.370 nan 0.000 0.437 195 L N 3.794 125.006 121.223 -0.017 0.000 2.021 195 L HA -0.292 4.047 4.340 -0.000 0.000 0.215 195 L C 1.519 178.385 176.870 -0.008 0.000 1.074 195 L CA 1.894 56.727 54.840 -0.011 0.000 0.760 195 L CB -0.591 41.465 42.059 -0.004 0.000 0.889 195 L HN 0.346 nan 8.230 nan 0.000 0.433 196 N N -0.032 118.665 118.700 -0.005 0.000 2.205 196 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 196 N C 1.507 177.018 175.510 0.003 0.000 1.015 196 N CA 1.675 54.724 53.050 -0.001 0.000 0.862 196 N CB -0.518 37.970 38.487 0.002 0.000 0.986 196 N HN 0.525 nan 8.380 nan 0.000 0.429 197 D N 0.566 120.969 120.400 0.006 0.000 2.097 197 D HA -0.028 4.612 4.640 -0.000 0.000 0.195 197 D C 1.910 178.212 176.300 0.004 0.000 0.989 197 D CA 1.459 55.472 54.000 0.022 0.000 0.827 197 D CB -0.223 40.587 40.800 0.018 0.000 0.966 197 D HN 0.265 nan 8.370 nan 0.000 0.456 198 A N 0.140 122.951 122.820 -0.015 0.000 1.898 198 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 198 A C 2.399 179.959 177.584 -0.041 0.000 1.181 198 A CA 1.093 53.112 52.037 -0.030 0.000 0.620 198 A CB -0.793 18.193 19.000 -0.022 0.000 0.819 198 A HN 0.134 nan 8.150 nan 0.000 0.442 199 V N 0.029 119.926 119.914 -0.028 0.000 2.282 199 V HA -0.362 3.758 4.120 -0.000 0.000 0.249 199 V C 2.678 178.739 176.094 -0.056 0.000 1.057 199 V CA 2.404 64.685 62.300 -0.031 0.000 1.032 199 V CB -0.934 30.879 31.823 -0.017 0.000 0.645 199 V HN 0.634 nan 8.190 nan 0.000 0.447 200 Q N -0.659 119.105 119.800 -0.060 0.000 2.046 200 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 200 Q C 2.456 178.307 176.000 -0.249 0.000 0.975 200 Q CA 1.754 57.504 55.803 -0.089 0.000 0.836 200 Q CB -0.365 28.366 28.738 -0.011 0.000 0.896 200 Q HN 0.682 nan 8.270 nan 0.000 0.428 201 A N 0.656 123.286 122.820 -0.316 0.000 1.902 201 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 201 A C 2.020 179.441 177.584 -0.271 0.000 1.181 201 A CA 1.154 52.893 52.037 -0.496 0.000 0.623 201 A CB -0.608 18.232 19.000 -0.267 0.000 0.818 201 A HN 0.292 nan 8.150 nan 0.000 0.443 202 L N -1.035 120.097 121.223 -0.153 0.000 2.109 202 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 202 L C 2.735 179.557 176.870 -0.079 0.000 1.086 202 L CA 1.438 56.220 54.840 -0.096 0.000 0.760 202 L CB -0.963 41.063 42.059 -0.055 0.000 0.910 202 L HN 0.313 nan 8.230 nan 0.000 0.437 203 T N -0.438 114.070 114.554 -0.076 0.000 2.624 203 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 203 T C 1.450 176.117 174.700 -0.055 0.000 1.041 203 T CA 1.934 64.003 62.100 -0.051 0.000 1.159 203 T CB -0.322 68.517 68.868 -0.048 0.000 0.863 203 T HN 0.312 nan 8.240 nan 0.000 0.434 204 D N 0.610 120.947 120.400 -0.105 0.000 2.104 204 D HA -0.056 4.584 4.640 -0.000 0.000 0.194 204 D C 2.001 178.266 176.300 -0.058 0.000 0.994 204 D CA 0.605 54.553 54.000 -0.086 0.000 0.830 204 D CB -0.527 40.182 40.800 -0.151 0.000 0.959 204 D HN 0.157 nan 8.370 nan 0.000 0.452 205 L N 0.637 121.812 121.223 -0.081 0.000 2.083 205 L HA 0.003 4.342 4.340 -0.000 0.000 0.209 205 L C 2.177 179.030 176.870 -0.029 0.000 1.083 205 L CA 1.909 56.704 54.840 -0.074 0.000 0.752 205 L CB -0.919 41.078 42.059 -0.104 0.000 0.899 205 L HN 0.070 nan 8.230 nan 0.000 0.433 206 G N -0.746 108.057 108.800 0.004 0.000 2.418 206 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 206 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 206 G C 1.620 176.587 174.900 0.112 0.000 1.158 206 G CA 0.944 46.099 45.100 0.092 0.000 0.771 206 G HN 0.423 nan 8.290 nan 0.000 0.545 207 L N 0.101 121.355 121.223 0.052 0.000 2.046 207 L HA -0.037 4.302 4.340 -0.000 0.000 0.208 207 L C 2.829 179.731 176.870 0.054 0.000 1.077 207 L CA 0.777 55.644 54.840 0.045 0.000 0.747 207 L CB -0.319 41.752 42.059 0.020 0.000 0.896 207 L HN 0.191 nan 8.230 nan 0.000 0.432 208 I N -1.422 119.173 120.570 0.042 0.000 2.361 208 I HA -0.324 3.846 4.170 -0.000 0.000 0.251 208 I C 2.347 178.506 176.117 0.071 0.000 1.133 208 I CA 1.140 62.456 61.300 0.026 0.000 1.413 208 I CB -0.245 37.747 38.000 -0.014 0.000 1.073 208 I HN 0.251 nan 8.210 nan 0.000 0.424 209 Y N 1.850 122.123 120.300 -0.044 0.000 2.571 209 Y HA -0.158 4.392 4.550 -0.001 0.000 0.294 209 Y C 2.623 178.623 175.900 0.168 0.000 1.141 209 Y CA 1.265 59.369 58.100 0.007 0.000 1.308 209 Y CB -0.684 37.759 38.460 -0.027 0.000 1.002 209 Y HN 0.268 nan 8.280 nan 0.000 0.551 210 T N -3.004 111.612 114.554 0.104 0.000 2.915 210 T HA -0.004 4.346 4.350 -0.000 0.000 0.269 210 T C 1.795 176.619 174.700 0.206 0.000 1.071 210 T CA 1.086 63.233 62.100 0.079 0.000 1.132 210 T CB -0.346 68.553 68.868 0.051 0.000 0.878 210 T HN 0.275 nan 8.240 nan 0.000 0.479 211 A N 1.256 124.176 122.820 0.167 0.000 2.127 211 A HA 0.475 4.795 4.320 -0.000 0.000 0.204 211 A C 0.795 178.268 177.584 -0.184 0.000 1.243 211 A CA 0.114 52.225 52.037 0.124 0.000 0.887 211 A CB 0.424 19.447 19.000 0.039 0.000 0.933 211 A HN 0.717 nan 8.150 nan 0.000 0.479 212 K N -2.334 117.752 120.400 -0.522 0.000 2.578 212 K HA 0.427 4.746 4.320 -0.000 0.000 0.287 212 K C -1.570 174.602 176.600 -0.713 0.000 1.010 212 K CA -0.797 54.823 56.287 -1.113 0.000 0.889 212 K CB 0.795 33.022 32.500 -0.454 0.000 1.514 212 K HN -0.056 nan 8.250 nan 0.000 0.424 213 Y N 1.877 121.823 120.300 -0.589 0.000 2.359 213 Y HA 0.267 4.817 4.550 -0.000 0.000 0.334 213 Y C -2.257 173.613 175.900 -0.050 0.000 1.058 213 Y CA -1.376 56.710 58.100 -0.022 0.000 1.244 213 Y CB 1.010 39.526 38.460 0.093 0.000 1.187 213 Y HN 0.427 nan 8.280 nan 0.000 0.510 214 P HA 0.092 nan 4.420 nan 0.000 0.271 214 P C -1.269 175.974 177.300 -0.095 0.000 1.216 214 P CA 0.027 62.979 63.100 -0.248 0.000 0.776 214 P CB 0.656 32.162 31.700 -0.323 0.000 0.881 215 N N -0.259 118.434 118.700 -0.012 0.000 3.002 215 N HA 0.289 5.029 4.740 -0.000 0.000 0.331 215 N C 0.609 176.128 175.510 0.015 0.000 1.384 215 N CA -0.644 52.434 53.050 0.047 0.000 0.780 215 N CB -0.663 37.858 38.487 0.056 0.000 1.492 215 N HN 0.056 nan 8.380 nan 0.000 0.608 216 T N -0.716 113.853 114.554 0.025 0.000 2.777 216 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 216 T C 1.682 176.386 174.700 0.006 0.000 1.040 216 T CA 1.745 63.855 62.100 0.016 0.000 1.141 216 T CB -0.547 68.332 68.868 0.020 0.000 0.868 216 T HN 0.550 nan 8.240 nan 0.000 0.444 217 S N 0.987 116.690 115.700 0.006 0.000 2.368 217 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 217 S C 1.826 176.424 174.600 -0.004 0.000 1.044 217 S CA 1.654 59.855 58.200 0.001 0.000 1.062 217 S CB -0.655 62.546 63.200 0.000 0.000 0.931 217 S HN 0.452 nan 8.310 nan 0.000 0.440 218 D N 0.685 121.078 120.400 -0.011 0.000 2.117 218 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 218 D C 1.953 178.244 176.300 -0.016 0.000 0.987 218 D CA 0.879 54.868 54.000 -0.019 0.000 0.829 218 D CB -0.542 40.234 40.800 -0.039 0.000 0.961 218 D HN 0.331 nan 8.370 nan 0.000 0.460 219 L N 1.394 122.606 121.223 -0.018 0.000 2.017 219 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 219 L C 1.587 178.456 176.870 -0.001 0.000 1.073 219 L CA 1.806 56.638 54.840 -0.013 0.000 0.745 219 L CB -0.467 41.586 42.059 -0.011 0.000 0.894 219 L HN -0.189 nan 8.230 nan 0.000 0.432 220 D N -0.368 120.032 120.400 0.001 0.000 2.126 220 D HA -0.232 4.407 4.640 -0.000 0.000 0.190 220 D C 2.357 178.661 176.300 0.005 0.000 1.001 220 D CA 1.625 55.627 54.000 0.003 0.000 0.841 220 D CB -0.148 40.653 40.800 0.002 0.000 0.949 220 D HN 0.342 nan 8.370 nan 0.000 0.446 221 R N -0.150 120.353 120.500 0.005 0.000 2.092 221 R HA 0.011 4.351 4.340 -0.000 0.000 0.231 221 R C 2.588 178.903 176.300 0.025 0.000 1.119 221 R CA 0.412 56.518 56.100 0.009 0.000 0.970 221 R CB -0.289 30.015 30.300 0.006 0.000 0.864 221 R HN 0.228 nan 8.270 nan 0.000 0.440 222 L N -0.064 121.180 121.223 0.034 0.000 2.083 222 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 222 L C 2.177 179.112 176.870 0.107 0.000 1.083 222 L CA 1.342 56.230 54.840 0.080 0.000 0.752 222 L CB -0.443 41.640 42.059 0.041 0.000 0.899 222 L HN 0.235 nan 8.230 nan 0.000 0.433 223 T N -1.218 113.367 114.554 0.052 0.000 2.821 223 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 223 T C 1.818 176.525 174.700 0.012 0.000 1.046 223 T CA 1.069 63.193 62.100 0.040 0.000 1.139 223 T CB -0.129 68.746 68.868 0.013 0.000 0.871 223 T HN 0.360 nan 8.240 nan 0.000 0.454 224 Q N 0.513 120.312 119.800 -0.002 0.000 2.234 224 Q HA -0.082 4.258 4.340 -0.000 0.000 0.206 224 Q C 2.398 178.359 176.000 -0.064 0.000 0.980 224 Q CA 1.494 57.281 55.803 -0.026 0.000 0.869 224 Q CB -0.086 28.640 28.738 -0.021 0.000 0.912 224 Q HN 0.477 nan 8.270 nan 0.000 0.436 225 S N -1.091 114.548 115.700 -0.101 0.000 2.505 225 S HA 0.015 4.485 4.470 -0.000 0.000 0.216 225 S C 0.220 174.542 174.600 -0.464 0.000 1.018 225 S CA -0.455 57.589 58.200 -0.261 0.000 0.911 225 S CB 0.437 63.455 63.200 -0.303 0.000 0.818 225 S HN 0.311 nan 8.310 nan 0.000 0.497 226 H N 1.380 120.435 119.070 -0.025 0.000 2.348 226 H HA 0.330 4.886 4.556 -0.000 0.000 0.232 226 H C -2.339 172.966 175.328 -0.037 0.000 1.419 226 H CA -1.579 54.451 56.048 -0.030 0.000 1.416 226 H CB 1.165 30.910 29.762 -0.029 0.000 1.510 226 H HN 0.286 nan 8.280 nan 0.000 0.507 227 P HA -0.188 nan 4.420 nan 0.000 0.218 227 P C 1.769 179.062 177.300 -0.013 0.000 1.146 227 P CA 0.662 63.759 63.100 -0.006 0.000 0.820 227 P CB 0.365 32.051 31.700 -0.024 0.000 0.778 228 I N -0.866 119.702 120.570 -0.002 0.000 2.335 228 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 228 I C 1.816 177.891 176.117 -0.070 0.000 1.129 228 I CA 1.441 62.714 61.300 -0.046 0.000 1.402 228 I CB -0.776 37.202 38.000 -0.037 0.000 1.069 228 I HN -0.132 nan 8.210 nan 0.000 0.424 229 L N 0.787 121.993 121.223 -0.028 0.000 2.465 229 L HA -0.117 4.223 4.340 -0.000 0.000 0.224 229 L C 1.652 178.499 176.870 -0.039 0.000 1.145 229 L CA 0.965 55.784 54.840 -0.036 0.000 0.834 229 L CB -1.138 40.916 42.059 -0.009 0.000 0.944 229 L HN 0.459 nan 8.230 nan 0.000 0.451 230 N N -0.218 118.458 118.700 -0.040 0.000 2.609 230 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 230 N C 1.506 176.984 175.510 -0.053 0.000 1.157 230 N CA 0.906 53.935 53.050 -0.035 0.000 0.918 230 N CB -0.326 38.146 38.487 -0.026 0.000 0.978 230 N HN 0.320 nan 8.380 nan 0.000 0.448 231 M N -0.460 119.073 119.600 -0.112 0.000 2.492 231 M HA 0.096 4.576 4.480 -0.000 0.000 0.262 231 M C -0.255 176.011 176.300 -0.057 0.000 1.090 231 M CA 0.371 55.569 55.300 -0.172 0.000 1.110 231 M CB 0.007 32.329 32.600 -0.462 0.000 1.407 231 M HN 0.045 nan 8.290 nan 0.000 0.470 232 I N 2.221 122.784 120.570 -0.012 0.000 2.436 232 I HA -0.044 4.125 4.170 -0.000 0.000 0.289 232 I C 0.253 176.412 176.117 0.070 0.000 1.083 232 I CA -0.242 61.104 61.300 0.077 0.000 1.372 232 I CB 0.077 38.109 38.000 0.052 0.000 1.408 232 I HN 0.119 nan 8.210 nan 0.000 0.516 233 D N 4.664 125.126 120.400 0.103 0.000 2.274 233 D HA 0.101 4.741 4.640 -0.000 0.000 0.239 233 D C 0.538 176.878 176.300 0.066 0.000 1.104 233 D CA -0.477 53.568 54.000 0.074 0.000 0.840 233 D CB 1.280 42.125 40.800 0.076 0.000 1.100 233 D HN 0.529 nan 8.370 nan 0.000 0.477 234 T N 1.792 116.376 114.554 0.050 0.000 3.118 234 T HA -0.064 4.286 4.350 -0.000 0.000 0.260 234 T C 1.379 176.105 174.700 0.043 0.000 1.139 234 T CA 0.286 62.414 62.100 0.047 0.000 1.085 234 T CB 0.153 69.044 68.868 0.038 0.000 0.934 234 T HN 0.258 nan 8.240 nan 0.000 0.518 235 K N 1.115 121.538 120.400 0.039 0.000 2.167 235 K HA 0.165 4.485 4.320 -0.000 0.000 0.203 235 K C 0.910 177.529 176.600 0.032 0.000 1.052 235 K CA 0.625 56.931 56.287 0.031 0.000 0.956 235 K CB 0.004 32.519 32.500 0.026 0.000 0.735 235 K HN 0.236 nan 8.250 nan 0.000 0.451 236 K N 1.552 121.978 120.400 0.043 0.000 2.270 236 K HA 0.124 4.444 4.320 -0.000 0.000 0.276 236 K C 0.270 176.895 176.600 0.041 0.000 1.023 236 K CA 0.003 56.316 56.287 0.042 0.000 0.955 236 K CB 1.382 33.916 32.500 0.055 0.000 0.975 236 K HN -0.004 nan 8.250 nan 0.000 0.471 237 S N 0.392 116.110 115.700 0.029 0.000 2.599 237 S HA 0.131 4.600 4.470 -0.000 0.000 0.294 237 S C 1.337 175.949 174.600 0.020 0.000 1.094 237 S CA -0.343 57.871 58.200 0.024 0.000 0.931 237 S CB 1.603 64.808 63.200 0.008 0.000 1.093 237 S HN 0.574 nan 8.310 nan 0.000 0.488 238 S N 2.009 117.721 115.700 0.020 0.000 2.414 238 S HA -0.154 4.316 4.470 -0.000 0.000 0.241 238 S C 0.750 175.348 174.600 -0.004 0.000 1.079 238 S CA 1.545 59.754 58.200 0.014 0.000 1.087 238 S CB -1.044 62.160 63.200 0.007 0.000 0.927 238 S HN 0.591 nan 8.310 nan 0.000 0.456 239 L N 1.680 122.892 121.223 -0.018 0.000 2.417 239 L HA 0.284 4.624 4.340 -0.000 0.000 0.268 239 L C 0.746 177.593 176.870 -0.037 0.000 1.158 239 L CA -0.396 54.421 54.840 -0.038 0.000 0.819 239 L CB -0.071 41.965 42.059 -0.040 0.000 1.112 239 L HN 0.230 nan 8.230 nan 0.000 0.458 240 N N 2.047 120.705 118.700 -0.071 0.000 2.696 240 N HA -0.225 4.515 4.740 -0.000 0.000 0.271 240 N C -1.175 174.326 175.510 -0.015 0.000 0.997 240 N CA 0.636 53.643 53.050 -0.072 0.000 0.801 240 N CB -0.585 37.870 38.487 -0.053 0.000 0.913 240 N HN 0.481 nan 8.380 nan 0.000 0.557 241 I N -0.590 119.989 120.570 0.015 0.000 3.004 241 I HA 0.433 4.603 4.170 -0.000 0.000 0.305 241 I C -0.159 176.071 176.117 0.189 0.000 1.312 241 I CA -0.630 60.723 61.300 0.088 0.000 0.992 241 I CB 1.779 39.812 38.000 0.056 0.000 1.282 241 I HN 0.252 nan 8.210 nan 0.000 0.449 242 S N 1.968 117.808 115.700 0.233 0.000 2.747 242 S HA 0.636 5.105 4.470 -0.000 0.000 0.300 242 S C 0.997 175.640 174.600 0.072 0.000 1.121 242 S CA 0.015 58.391 58.200 0.292 0.000 0.995 242 S CB 1.267 64.720 63.200 0.421 0.000 1.113 242 S HN 0.940 nan 8.310 nan 0.000 0.547 243 G N -0.600 108.164 108.800 -0.061 0.000 2.501 243 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.220 243 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.220 243 G C 0.530 175.137 174.900 -0.488 0.000 1.114 243 G CA 0.561 45.472 45.100 -0.314 0.000 0.757 243 G HN 0.770 nan 8.290 nan 0.000 0.559 244 Y N 0.116 120.345 120.300 -0.118 0.000 2.482 244 Y HA 0.231 4.781 4.550 -0.000 0.000 0.270 244 Y C 1.055 176.679 175.900 -0.461 0.000 1.152 244 Y CA -0.537 57.435 58.100 -0.212 0.000 1.292 244 Y CB -0.002 38.395 38.460 -0.106 0.000 1.070 244 Y HN 0.125 nan 8.280 nan 0.000 0.528 245 N N -0.500 118.026 118.700 -0.288 0.000 2.482 245 N HA 0.335 5.075 4.740 -0.000 0.000 0.279 245 N C -1.456 173.755 175.510 -0.499 0.000 1.182 245 N CA -0.688 52.140 53.050 -0.371 0.000 0.969 245 N CB 0.640 39.085 38.487 -0.070 0.000 1.201 245 N HN -0.140 nan 8.380 nan 0.000 0.523 246 F N 0.604 120.594 119.950 0.067 0.000 2.344 246 F HA 0.289 4.816 4.527 -0.000 0.000 0.344 246 F C 0.540 176.361 175.800 0.036 0.000 1.140 246 F CA -0.932 57.095 58.000 0.044 0.000 1.256 246 F CB -0.172 38.852 39.000 0.039 0.000 1.573 246 F HN 0.297 nan 8.300 nan 0.000 0.547 247 S N 0.638 116.416 115.700 0.130 0.000 2.632 247 S HA 0.273 4.743 4.470 -0.000 0.000 0.271 247 S C 1.104 175.761 174.600 0.094 0.000 1.260 247 S CA -0.823 57.437 58.200 0.100 0.000 1.010 247 S CB 1.511 64.753 63.200 0.069 0.000 0.965 247 S HN 0.494 nan 8.310 nan 0.000 0.534 248 L N 2.645 123.915 121.223 0.078 0.000 2.042 248 L HA 0.081 4.421 4.340 -0.000 0.000 0.210 248 L C 2.377 179.272 176.870 0.041 0.000 1.076 248 L CA 2.539 57.409 54.840 0.050 0.000 0.749 248 L CB -1.667 40.430 42.059 0.063 0.000 0.893 248 L HN 1.002 nan 8.230 nan 0.000 0.432 249 G N -1.074 107.786 108.800 0.099 0.000 2.469 249 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.219 249 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.219 249 G C 1.618 176.552 174.900 0.056 0.000 1.150 249 G CA 1.111 46.281 45.100 0.116 0.000 0.763 249 G HN 0.683 nan 8.290 nan 0.000 0.561 250 A N 1.029 123.881 122.820 0.054 0.000 1.902 250 A HA 0.245 4.565 4.320 -0.000 0.000 0.217 250 A C 2.817 180.420 177.584 0.030 0.000 1.181 250 A CA 2.401 54.464 52.037 0.044 0.000 0.623 250 A CB -0.753 18.273 19.000 0.043 0.000 0.818 250 A HN 0.837 nan 8.150 nan 0.000 0.443 251 A N -0.732 122.102 122.820 0.023 0.000 1.897 251 A HA 0.069 4.388 4.320 -0.000 0.000 0.215 251 A C 2.221 179.757 177.584 -0.080 0.000 1.181 251 A CA 1.568 53.601 52.037 -0.007 0.000 0.620 251 A CB -0.904 18.093 19.000 -0.005 0.000 0.821 251 A HN 0.358 nan 8.150 nan 0.000 0.443 252 V N 0.487 120.303 119.914 -0.162 0.000 2.287 252 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 252 V C 2.570 178.511 176.094 -0.255 0.000 1.053 252 V CA 2.455 64.544 62.300 -0.353 0.000 1.027 252 V CB -0.635 30.813 31.823 -0.624 0.000 0.646 252 V HN 0.664 nan 8.190 nan 0.000 0.447 253 K N -0.027 120.314 120.400 -0.098 0.000 2.032 253 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 253 K C 2.197 178.816 176.600 0.033 0.000 1.048 253 K CA 1.690 57.993 56.287 0.026 0.000 0.927 253 K CB -0.315 32.242 32.500 0.095 0.000 0.712 253 K HN 0.442 nan 8.250 nan 0.000 0.441 254 A N 0.685 123.511 122.820 0.011 0.000 1.902 254 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 254 A C 2.373 179.961 177.584 0.007 0.000 1.181 254 A CA 1.869 53.914 52.037 0.014 0.000 0.623 254 A CB -1.189 17.820 19.000 0.015 0.000 0.818 254 A HN 0.544 nan 8.150 nan 0.000 0.443 255 G N -0.388 108.404 108.800 -0.014 0.000 2.442 255 G HA2 -0.028 3.931 3.960 -0.000 0.000 0.219 255 G HA3 -0.028 3.931 3.960 -0.000 0.000 0.219 255 G C 1.715 176.643 174.900 0.047 0.000 1.141 255 G CA 1.450 46.547 45.100 -0.006 0.000 0.763 255 G HN 0.846 nan 8.290 nan 0.000 0.554 256 A N -0.161 122.716 122.820 0.094 0.000 1.986 256 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 256 A C 2.414 180.051 177.584 0.090 0.000 1.171 256 A CA 1.815 53.955 52.037 0.172 0.000 0.640 256 A CB -0.818 18.343 19.000 0.269 0.000 0.811 256 A HN 0.449 nan 8.150 nan 0.000 0.451 257 C N -0.934 118.400 119.300 0.056 0.000 2.539 257 C HA 0.148 4.608 4.460 -0.000 0.000 0.268 257 C C 2.362 177.363 174.990 0.017 0.000 1.395 257 C CA 0.358 59.395 59.018 0.031 0.000 1.757 257 C CB -0.849 26.900 27.740 0.015 0.000 1.851 257 C HN 0.556 nan 8.230 nan 0.000 0.545 258 M N 0.481 120.092 119.600 0.018 0.000 2.541 258 M HA 0.145 4.625 4.480 -0.000 0.000 0.252 258 M C 1.689 177.995 176.300 0.010 0.000 1.125 258 M CA 0.998 56.302 55.300 0.007 0.000 1.091 258 M CB -0.811 31.787 32.600 -0.003 0.000 1.420 258 M HN 0.398 nan 8.290 nan 0.000 0.486 259 L N -0.419 120.817 121.223 0.021 0.000 2.209 259 L HA -0.044 4.295 4.340 -0.000 0.000 0.207 259 L C 0.109 176.989 176.870 0.016 0.000 1.094 259 L CA 0.090 54.943 54.840 0.020 0.000 0.790 259 L CB -0.442 41.635 42.059 0.030 0.000 0.932 259 L HN 0.209 nan 8.230 nan 0.000 0.447 260 D N 1.168 121.579 120.400 0.018 0.000 2.686 260 D HA -0.101 4.538 4.640 -0.000 0.000 0.235 260 D C 0.298 176.608 176.300 0.016 0.000 1.160 260 D CA 1.198 55.209 54.000 0.018 0.000 0.645 260 D CB -1.045 39.764 40.800 0.014 0.000 1.039 260 D HN 0.627 nan 8.370 nan 0.000 0.423 261 G N -2.489 106.321 108.800 0.017 0.000 2.313 261 G HA2 0.602 4.562 3.960 -0.000 0.000 0.296 261 G HA3 0.602 4.562 3.960 -0.000 0.000 0.296 261 G C 0.549 175.453 174.900 0.006 0.000 1.356 261 G CA 0.459 45.566 45.100 0.011 0.000 0.833 261 G HN 0.965 nan 8.290 nan 0.000 0.552 262 G N -0.311 108.488 108.800 -0.002 0.000 2.143 262 G HA2 -0.076 3.883 3.960 -0.000 0.000 0.249 262 G HA3 -0.076 3.883 3.960 -0.000 0.000 0.249 262 G C 0.607 175.489 174.900 -0.030 0.000 0.981 262 G CA 0.752 45.844 45.100 -0.013 0.000 0.665 262 G HN 2.160 nan 8.290 nan 0.000 0.528 263 N N -1.282 117.406 118.700 -0.020 0.000 2.740 263 N HA -0.149 4.591 4.740 -0.000 0.000 0.248 263 N C 0.546 176.028 175.510 -0.046 0.000 1.062 263 N CA 1.567 54.602 53.050 -0.025 0.000 0.704 263 N CB -1.026 37.441 38.487 -0.033 0.000 0.968 263 N HN 0.590 nan 8.380 nan 0.000 0.547 264 M N 0.857 120.434 119.600 -0.038 0.000 2.268 264 M HA 0.065 4.544 4.480 -0.000 0.000 0.349 264 M C 1.929 178.171 176.300 -0.097 0.000 1.485 264 M CA 0.097 55.361 55.300 -0.059 0.000 1.094 264 M CB 0.237 32.837 32.600 -0.000 0.000 1.843 264 M HN 0.193 nan 8.290 nan 0.000 0.460 265 L N 2.150 123.267 121.223 -0.175 0.000 2.129 265 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 265 L C 1.625 178.105 176.870 -0.650 0.000 1.087 265 L CA 1.353 55.988 54.840 -0.343 0.000 0.757 265 L CB -0.458 41.370 42.059 -0.385 0.000 0.896 265 L HN 0.640 nan 8.230 nan 0.000 0.434 266 E N -0.452 119.447 120.200 -0.503 0.000 2.267 266 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 266 E C 1.886 178.480 176.600 -0.010 0.000 0.998 266 E CA 1.609 57.829 56.400 -0.300 0.000 0.830 266 E CB -0.254 29.439 29.700 -0.010 0.000 0.751 266 E HN 0.537 nan 8.360 nan 0.000 0.491 267 T N -2.353 112.211 114.554 0.016 0.000 3.105 267 T HA 0.259 4.608 4.350 -0.000 0.000 0.253 267 T C 0.627 175.455 174.700 0.214 0.000 1.047 267 T CA -0.397 61.786 62.100 0.138 0.000 0.944 267 T CB -0.267 68.657 68.868 0.094 0.000 1.016 267 T HN -0.089 nan 8.240 nan 0.000 0.544 268 I N 2.224 122.889 120.570 0.158 0.000 2.710 268 I HA 0.170 4.340 4.170 -0.000 0.000 0.286 268 I C 0.481 176.699 176.117 0.169 0.000 1.181 268 I CA 0.138 61.538 61.300 0.165 0.000 1.430 268 I CB 0.647 38.728 38.000 0.135 0.000 1.367 268 I HN 0.103 nan 8.210 nan 0.000 0.577 269 K N 5.477 125.903 120.400 0.042 0.000 2.221 269 K HA 0.644 4.963 4.320 -0.000 0.000 0.258 269 K C -1.423 175.055 176.600 -0.202 0.000 0.944 269 K CA -0.644 55.482 56.287 -0.268 0.000 0.823 269 K CB 1.664 33.922 32.500 -0.402 0.000 1.113 269 K HN 0.335 nan 8.250 nan 0.000 0.431 270 V N 2.740 122.486 119.914 -0.280 0.000 2.555 270 V HA 0.400 4.520 4.120 -0.000 0.000 0.302 270 V C -0.295 175.663 176.094 -0.228 0.000 1.038 270 V CA -0.624 61.548 62.300 -0.214 0.000 0.887 270 V CB 1.597 33.316 31.823 -0.173 0.000 0.991 270 V HN 0.978 nan 8.190 nan 0.000 0.434 271 S N 3.905 119.507 115.700 -0.164 0.000 2.671 271 S HA 0.628 5.097 4.470 -0.000 0.000 0.299 271 S C -2.422 172.117 174.600 -0.101 0.000 1.116 271 S CA -1.670 56.449 58.200 -0.134 0.000 0.912 271 S CB 2.265 65.401 63.200 -0.106 0.000 1.130 271 S HN 0.398 nan 8.310 nan 0.000 0.501 272 P HA -0.043 nan 4.420 nan 0.000 0.221 272 P C 1.067 178.337 177.300 -0.050 0.000 1.145 272 P CA 1.011 64.073 63.100 -0.065 0.000 0.795 272 P CB 0.070 31.737 31.700 -0.054 0.000 0.775 273 Q N -1.407 118.368 119.800 -0.042 0.000 2.331 273 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 273 Q C 1.688 177.680 176.000 -0.014 0.000 0.944 273 Q CA 1.644 57.434 55.803 -0.022 0.000 0.892 273 Q CB -0.977 27.754 28.738 -0.011 0.000 0.983 273 Q HN 0.380 nan 8.270 nan 0.000 0.482 274 T N -3.580 110.954 114.554 -0.034 0.000 3.023 274 T HA 0.206 4.556 4.350 -0.000 0.000 0.253 274 T C 1.686 176.301 174.700 -0.142 0.000 1.038 274 T CA -0.101 61.977 62.100 -0.036 0.000 0.962 274 T CB 0.095 68.972 68.868 0.017 0.000 1.018 274 T HN -0.013 nan 8.240 nan 0.000 0.521 275 M N 2.049 121.576 119.600 -0.121 0.000 2.065 275 M HA -0.115 4.365 4.480 -0.000 0.000 0.259 275 M C 1.345 177.575 176.300 -0.115 0.000 1.069 275 M CA 2.189 57.409 55.300 -0.135 0.000 1.110 275 M CB -0.262 32.276 32.600 -0.103 0.000 1.328 275 M HN 0.064 nan 8.290 nan 0.000 0.405 276 D N -0.099 120.258 120.400 -0.072 0.000 2.149 276 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 276 D C 1.893 178.167 176.300 -0.043 0.000 0.990 276 D CA 1.620 55.593 54.000 -0.046 0.000 0.839 276 D CB -0.671 40.114 40.800 -0.025 0.000 0.948 276 D HN 0.599 nan 8.370 nan 0.000 0.460 277 G N 0.403 109.178 108.800 -0.042 0.000 2.404 277 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 277 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 277 G C 1.715 176.579 174.900 -0.060 0.000 1.174 277 G CA 0.337 45.443 45.100 0.010 0.000 0.780 277 G HN 0.245 nan 8.290 nan 0.000 0.537 278 I N 0.420 120.802 120.570 -0.315 0.000 2.163 278 I HA -0.161 4.009 4.170 -0.000 0.000 0.243 278 I C 2.686 178.721 176.117 -0.136 0.000 1.085 278 I CA 0.853 61.909 61.300 -0.406 0.000 1.347 278 I CB -0.133 37.524 38.000 -0.572 0.000 1.044 278 I HN 0.117 nan 8.210 nan 0.000 0.408 279 L N 0.132 121.298 121.223 -0.095 0.000 2.141 279 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 279 L C 2.500 179.370 176.870 -0.001 0.000 1.094 279 L CA 0.919 55.743 54.840 -0.027 0.000 0.763 279 L CB -0.460 41.585 42.059 -0.024 0.000 0.908 279 L HN 0.155 nan 8.230 nan 0.000 0.437 280 K N 0.135 120.532 120.400 -0.006 0.000 2.097 280 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 280 K C 2.127 178.738 176.600 0.019 0.000 1.049 280 K CA 1.556 57.849 56.287 0.010 0.000 0.933 280 K CB -0.132 32.378 32.500 0.016 0.000 0.717 280 K HN 0.051 nan 8.250 nan 0.000 0.442 281 S N 0.237 115.959 115.700 0.036 0.000 2.371 281 S HA 0.007 4.477 4.470 -0.000 0.000 0.224 281 S C 1.831 176.446 174.600 0.026 0.000 1.029 281 S CA 1.199 59.430 58.200 0.052 0.000 0.978 281 S CB -0.284 62.991 63.200 0.125 0.000 0.833 281 S HN 0.267 nan 8.310 nan 0.000 0.466 282 I N 1.647 122.236 120.570 0.031 0.000 2.163 282 I HA -0.223 3.947 4.170 -0.000 0.000 0.243 282 I C 2.043 178.149 176.117 -0.018 0.000 1.085 282 I CA 1.208 62.533 61.300 0.041 0.000 1.347 282 I CB -0.422 37.646 38.000 0.113 0.000 1.044 282 I HN 0.230 nan 8.210 nan 0.000 0.408 283 L N 0.539 121.757 121.223 -0.007 0.000 2.083 283 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 283 L C 2.625 179.445 176.870 -0.084 0.000 1.083 283 L CA 1.370 56.180 54.840 -0.050 0.000 0.752 283 L CB -0.598 41.454 42.059 -0.012 0.000 0.899 283 L HN 0.265 nan 8.230 nan 0.000 0.433 284 K N 0.357 120.726 120.400 -0.053 0.000 2.032 284 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 284 K C 1.944 178.490 176.600 -0.090 0.000 1.048 284 K CA 1.754 58.008 56.287 -0.055 0.000 0.927 284 K CB -0.077 32.408 32.500 -0.025 0.000 0.712 284 K HN 0.079 nan 8.250 nan 0.000 0.441 285 V N 1.883 121.735 119.914 -0.104 0.000 2.358 285 V HA -0.217 3.902 4.120 -0.000 0.000 0.246 285 V C 2.531 178.467 176.094 -0.263 0.000 1.047 285 V CA 1.919 64.129 62.300 -0.149 0.000 1.035 285 V CB -0.568 31.180 31.823 -0.124 0.000 0.658 285 V HN 0.419 nan 8.190 nan 0.000 0.452 286 K N 0.496 120.695 120.400 -0.335 0.000 2.009 286 K HA -0.273 4.046 4.320 -0.000 0.000 0.210 286 K C 2.361 178.765 176.600 -0.326 0.000 1.049 286 K CA 2.036 58.027 56.287 -0.494 0.000 0.929 286 K CB -0.211 31.936 32.500 -0.588 0.000 0.714 286 K HN 0.350 nan 8.250 nan 0.000 0.440 287 K N -0.163 120.112 120.400 -0.208 0.000 2.097 287 K HA -0.113 4.206 4.320 -0.000 0.000 0.206 287 K C 1.968 178.499 176.600 -0.115 0.000 1.049 287 K CA 1.161 57.367 56.287 -0.135 0.000 0.933 287 K CB -0.083 32.363 32.500 -0.090 0.000 0.717 287 K HN 0.223 nan 8.250 nan 0.000 0.442 288 A N 0.871 123.619 122.820 -0.119 0.000 1.897 288 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 288 A C 1.913 179.442 177.584 -0.091 0.000 1.181 288 A CA 0.994 52.978 52.037 -0.088 0.000 0.620 288 A CB -0.264 18.691 19.000 -0.074 0.000 0.821 288 A HN 0.298 nan 8.150 nan 0.000 0.443 289 L N -1.125 119.999 121.223 -0.164 0.000 2.567 289 L HA 0.196 4.535 4.340 -0.000 0.000 0.225 289 L C 1.444 178.237 176.870 -0.129 0.000 1.119 289 L CA 0.444 55.190 54.840 -0.157 0.000 0.871 289 L CB -0.093 41.775 42.059 -0.318 0.000 1.036 289 L HN 0.584 nan 8.230 nan 0.000 0.459 290 G N 1.223 109.932 108.800 -0.153 0.000 2.295 290 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.287 290 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.287 290 G C 0.272 175.114 174.900 -0.096 0.000 1.055 290 G CA 0.065 45.122 45.100 -0.071 0.000 0.922 290 G HN 0.250 nan 8.290 nan 0.000 0.503 291 M N -0.960 118.307 119.600 -0.556 0.000 2.226 291 M HA 0.617 5.097 4.480 -0.000 0.000 0.324 291 M C 0.596 176.731 176.300 -0.275 0.000 1.112 291 M CA 0.258 54.956 55.300 -1.003 0.000 1.176 291 M CB 0.432 32.069 32.600 -1.604 0.000 1.430 291 M HN 0.573 nan 8.290 nan 0.000 0.462 292 F N -0.720 119.182 119.950 -0.080 0.000 2.668 292 F HA 0.631 5.158 4.527 -0.000 0.000 0.309 292 F C -1.366 174.702 175.800 0.447 0.000 1.117 292 F CA -1.583 56.541 58.000 0.207 0.000 0.951 292 F CB 0.792 39.897 39.000 0.176 0.000 1.323 292 F HN 0.218 nan 8.300 nan 0.000 0.451 293 I N 2.428 123.295 120.570 0.495 0.000 2.396 293 I HA 0.210 4.380 4.170 -0.000 0.000 0.289 293 I C 0.546 176.896 176.117 0.389 0.000 1.056 293 I CA 0.004 61.484 61.300 0.300 0.000 1.365 293 I CB 0.870 38.983 38.000 0.189 0.000 1.407 293 I HN 0.780 nan 8.210 nan 0.000 0.509 294 S N 4.810 120.686 115.700 0.292 0.000 2.580 294 S HA 0.097 4.567 4.470 -0.000 0.000 0.274 294 S C 1.171 175.893 174.600 0.203 0.000 1.329 294 S CA -0.628 57.773 58.200 0.334 0.000 1.036 294 S CB 0.656 64.004 63.200 0.247 0.000 0.919 294 S HN 0.681 nan 8.310 nan 0.000 0.515 295 D N 2.217 122.735 120.400 0.196 0.000 2.355 295 D HA -0.020 4.620 4.640 -0.000 0.000 0.218 295 D C 0.072 176.421 176.300 0.081 0.000 1.004 295 D CA 0.140 54.220 54.000 0.135 0.000 0.880 295 D CB -0.419 40.498 40.800 0.194 0.000 0.911 295 D HN 0.383 nan 8.370 nan 0.000 0.528 296 T N 3.224 117.832 114.554 0.090 0.000 2.884 296 T HA 0.252 4.602 4.350 -0.000 0.000 0.298 296 T C -2.246 172.468 174.700 0.024 0.000 0.998 296 T CA -0.988 61.143 62.100 0.052 0.000 1.124 296 T CB 1.675 70.578 68.868 0.058 0.000 0.931 296 T HN 0.094 nan 8.240 nan 0.000 0.531 297 P HA 0.585 nan 4.420 nan 0.000 0.278 297 P C 0.601 177.893 177.300 -0.014 0.000 1.266 297 P CA 0.041 63.133 63.100 -0.012 0.000 0.807 297 P CB 0.691 32.378 31.700 -0.021 0.000 1.094 298 G N -0.161 108.624 108.800 -0.025 0.000 2.443 298 G HA2 -0.127 3.832 3.960 -0.000 0.000 0.209 298 G HA3 -0.127 3.832 3.960 -0.000 0.000 0.209 298 G C -0.893 173.986 174.900 -0.034 0.000 1.176 298 G CA -0.650 44.433 45.100 -0.028 0.000 1.074 298 G HN 0.523 nan 8.290 nan 0.000 0.577 299 E N 1.554 121.734 120.200 -0.034 0.000 2.529 299 E HA 0.130 4.479 4.350 -0.000 0.000 0.259 299 E C 0.806 177.382 176.600 -0.041 0.000 0.966 299 E CA 0.393 56.768 56.400 -0.041 0.000 0.937 299 E CB 0.356 30.027 29.700 -0.048 0.000 0.923 299 E HN 0.426 nan 8.360 nan 0.000 0.468 300 R N 2.755 123.230 120.500 -0.040 0.000 2.347 300 R HA 0.026 4.366 4.340 -0.000 0.000 0.304 300 R C 0.590 176.880 176.300 -0.017 0.000 1.072 300 R CA -0.441 55.642 56.100 -0.027 0.000 0.980 300 R CB 0.223 30.506 30.300 -0.028 0.000 0.986 300 R HN 0.506 nan 8.270 nan 0.000 0.448 301 N N 3.716 122.411 118.700 -0.009 0.000 2.371 301 N HA 0.049 4.788 4.740 -0.000 0.000 0.243 301 N C -2.102 173.490 175.510 0.137 0.000 1.287 301 N CA -1.379 51.680 53.050 0.015 0.000 0.911 301 N CB 0.336 38.789 38.487 -0.056 0.000 1.142 301 N HN 0.132 nan 8.380 nan 0.000 0.451 302 P HA -0.127 nan 4.420 nan 0.000 0.218 302 P C 0.856 178.350 177.300 0.323 0.000 1.148 302 P CA 1.071 64.346 63.100 0.291 0.000 0.822 302 P CB -0.158 31.747 31.700 0.342 0.000 0.784 303 Y N 1.279 121.738 120.300 0.265 0.000 2.153 303 Y HA -0.141 4.408 4.550 -0.001 0.000 0.289 303 Y C 2.033 177.994 175.900 0.102 0.000 1.127 303 Y CA 1.479 59.648 58.100 0.116 0.000 1.131 303 Y CB -0.892 37.546 38.460 -0.036 0.000 0.995 303 Y HN -0.042 nan 8.280 nan 0.000 0.505 304 E N -0.183 119.951 120.200 -0.109 0.000 2.085 304 E HA -0.277 4.072 4.350 -0.000 0.000 0.194 304 E C 1.970 178.529 176.600 -0.068 0.000 0.994 304 E CA 1.488 57.789 56.400 -0.165 0.000 0.801 304 E CB -0.295 29.388 29.700 -0.029 0.000 0.743 304 E HN 0.464 nan 8.360 nan 0.000 0.453 305 N N 0.914 119.619 118.700 0.008 0.000 2.135 305 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 305 N C 1.725 177.229 175.510 -0.011 0.000 1.027 305 N CA 0.777 53.840 53.050 0.022 0.000 0.849 305 N CB -0.066 38.453 38.487 0.055 0.000 1.002 305 N HN 0.143 nan 8.380 nan 0.000 0.425 306 I N -0.471 120.123 120.570 0.039 0.000 2.315 306 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 306 I C 1.881 177.986 176.117 -0.020 0.000 1.117 306 I CA 0.672 62.003 61.300 0.051 0.000 1.404 306 I CB -0.047 38.090 38.000 0.228 0.000 1.071 306 I HN 0.198 nan 8.210 nan 0.000 0.419 307 L N 0.134 121.308 121.223 -0.082 0.000 2.017 307 L HA -0.277 4.063 4.340 -0.000 0.000 0.208 307 L C 2.324 179.143 176.870 -0.085 0.000 1.073 307 L CA 2.001 56.764 54.840 -0.128 0.000 0.745 307 L CB -1.013 40.847 42.059 -0.332 0.000 0.894 307 L HN 0.323 nan 8.230 nan 0.000 0.432 308 Y N 0.349 120.581 120.300 -0.112 0.000 2.097 308 Y HA -0.312 4.237 4.550 -0.000 0.000 0.282 308 Y C 2.510 178.349 175.900 -0.102 0.000 1.152 308 Y CA 2.211 60.270 58.100 -0.069 0.000 1.136 308 Y CB -0.089 38.345 38.460 -0.043 0.000 0.975 308 Y HN 0.147 nan 8.280 nan 0.000 0.498 309 K N -0.278 120.087 120.400 -0.059 0.000 2.097 309 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 309 K C 1.991 178.495 176.600 -0.159 0.000 1.050 309 K CA 1.705 57.915 56.287 -0.129 0.000 0.938 309 K CB -0.172 32.148 32.500 -0.300 0.000 0.718 309 K HN 0.389 nan 8.250 nan 0.000 0.442 310 I N 0.374 120.862 120.570 -0.136 0.000 2.233 310 I HA -0.258 3.911 4.170 -0.000 0.000 0.243 310 I C 2.108 178.129 176.117 -0.160 0.000 1.093 310 I CA 0.758 61.990 61.300 -0.112 0.000 1.380 310 I CB -0.315 37.641 38.000 -0.073 0.000 1.067 310 I HN 0.181 nan 8.210 nan 0.000 0.413 311 C N 0.751 119.928 119.300 -0.206 0.000 2.449 311 C HA -0.045 4.414 4.460 -0.000 0.000 0.283 311 C C 2.625 177.443 174.990 -0.287 0.000 1.453 311 C CA 0.053 58.940 59.018 -0.218 0.000 1.779 311 C CB -1.143 26.478 27.740 -0.198 0.000 1.779 311 C HN 0.474 nan 8.230 nan 0.000 0.546 312 L N 0.813 121.825 121.223 -0.352 0.000 2.131 312 L HA 0.047 4.387 4.340 -0.000 0.000 0.210 312 L C 0.935 177.684 176.870 -0.202 0.000 1.092 312 L CA 1.742 56.386 54.840 -0.326 0.000 0.759 312 L CB -0.098 41.785 42.059 -0.294 0.000 0.903 312 L HN 0.329 nan 8.230 nan 0.000 0.435 313 S N -2.286 113.318 115.700 -0.159 0.000 2.563 313 S HA 0.503 4.973 4.470 -0.000 0.000 0.279 313 S C 0.421 174.951 174.600 -0.116 0.000 1.155 313 S CA -0.335 57.792 58.200 -0.121 0.000 0.928 313 S CB 0.938 64.083 63.200 -0.092 0.000 1.107 313 S HN 0.192 nan 8.310 nan 0.000 0.462 314 G N 1.733 110.468 108.800 -0.108 0.000 3.210 314 G HA2 0.262 4.222 3.960 -0.000 0.000 0.220 314 G HA3 0.262 4.222 3.960 -0.000 0.000 0.220 314 G C -0.170 174.658 174.900 -0.121 0.000 1.200 314 G CA 0.110 45.145 45.100 -0.109 0.000 0.834 314 G HN 0.642 nan 8.290 nan 0.000 0.524 315 D N -0.960 119.362 120.400 -0.129 0.000 2.445 315 D HA 0.478 5.118 4.640 -0.000 0.000 0.236 315 D C 0.314 176.506 176.300 -0.180 0.000 1.315 315 D CA 0.514 54.420 54.000 -0.157 0.000 0.924 315 D CB 0.416 41.149 40.800 -0.111 0.000 1.447 315 D HN 0.304 nan 8.370 nan 0.000 0.532 316 G N 1.261 109.875 108.800 -0.310 0.000 2.404 316 G HA2 0.152 4.112 3.960 -0.000 0.000 0.253 316 G HA3 0.152 4.112 3.960 -0.000 0.000 0.253 316 G C -1.599 172.996 174.900 -0.507 0.000 1.253 316 G CA -0.827 44.074 45.100 -0.331 0.000 0.917 316 G HN 0.065 nan 8.290 nan 0.000 0.480 317 W N 1.846 123.168 121.300 0.036 0.000 2.413 317 W HA 0.355 5.015 4.660 -0.000 0.000 0.308 317 W C -1.883 174.690 176.519 0.090 0.000 0.997 317 W CA -1.392 55.996 57.345 0.072 0.000 1.447 317 W CB 1.989 31.493 29.460 0.074 0.000 1.263 317 W HN 0.385 nan 8.180 nan 0.000 0.416 318 P HA -0.236 nan 4.420 nan 0.000 0.218 318 P C 0.920 178.283 177.300 0.106 0.000 1.148 318 P CA 1.749 64.922 63.100 0.122 0.000 0.822 318 P CB 0.326 32.066 31.700 0.066 0.000 0.784 319 Y N -0.260 120.129 120.300 0.149 0.000 2.397 319 Y HA 0.114 4.664 4.550 -0.000 0.000 0.292 319 Y C 2.314 178.287 175.900 0.122 0.000 1.115 319 Y CA 0.477 58.658 58.100 0.137 0.000 1.208 319 Y CB -0.185 38.362 38.460 0.145 0.000 1.046 319 Y HN -0.110 nan 8.280 nan 0.000 0.552 320 I N -3.848 116.902 120.570 0.300 0.000 4.338 320 I HA 0.549 4.719 4.170 -0.000 0.000 0.329 320 I C 0.695 176.867 176.117 0.091 0.000 1.378 320 I CA -0.534 60.865 61.300 0.165 0.000 1.170 320 I CB -0.008 38.061 38.000 0.115 0.000 1.206 320 I HN -0.141 nan 8.210 nan 0.000 0.432 321 A N 1.134 124.058 122.820 0.174 0.000 2.313 321 A HA 0.591 4.911 4.320 -0.000 0.000 0.261 321 A C 0.446 178.074 177.584 0.073 0.000 1.090 321 A CA -0.063 52.054 52.037 0.133 0.000 0.807 321 A CB 0.408 19.617 19.000 0.349 0.000 1.055 321 A HN 0.320 nan 8.150 nan 0.000 0.492 322 S N -0.608 115.114 115.700 0.037 0.000 2.516 322 S HA 0.199 4.669 4.470 -0.000 0.000 0.282 322 S C 0.799 175.421 174.600 0.036 0.000 1.286 322 S CA -0.062 58.146 58.200 0.015 0.000 1.066 322 S CB -0.146 63.052 63.200 -0.002 0.000 0.884 322 S HN 0.586 nan 8.310 nan 0.000 0.491 323 R N 1.855 122.365 120.500 0.017 0.000 2.508 323 R HA 0.123 4.462 4.340 -0.000 0.000 0.300 323 R C 1.716 178.009 176.300 -0.011 0.000 0.970 323 R CA 0.515 56.623 56.100 0.014 0.000 1.102 323 R CB 0.254 30.566 30.300 0.021 0.000 1.246 323 R HN 0.791 nan 8.270 nan 0.000 0.539 324 T N -3.136 111.403 114.554 -0.024 0.000 3.118 324 T HA 0.042 4.392 4.350 -0.000 0.000 0.260 324 T C 1.475 176.147 174.700 -0.046 0.000 1.139 324 T CA 0.723 62.794 62.100 -0.048 0.000 1.085 324 T CB 0.137 68.967 68.868 -0.064 0.000 0.934 324 T HN -0.114 nan 8.240 nan 0.000 0.518 325 S N 0.697 116.378 115.700 -0.031 0.000 2.556 325 S HA 0.347 4.817 4.470 -0.000 0.000 0.216 325 S C 0.523 175.103 174.600 -0.034 0.000 0.970 325 S CA -0.425 57.757 58.200 -0.030 0.000 0.912 325 S CB -0.116 63.072 63.200 -0.019 0.000 0.790 325 S HN 0.444 nan 8.310 nan 0.000 0.504 326 I N 4.065 124.613 120.570 -0.036 0.000 2.471 326 I HA 0.127 4.297 4.170 -0.000 0.000 0.286 326 I C 1.026 177.108 176.117 -0.059 0.000 1.079 326 I CA 0.130 61.401 61.300 -0.048 0.000 1.398 326 I CB -0.080 37.889 38.000 -0.052 0.000 1.403 326 I HN 0.134 nan 8.210 nan 0.000 0.530 327 T N 2.285 116.800 114.554 -0.064 0.000 2.934 327 T HA 0.759 5.109 4.350 -0.000 0.000 0.283 327 T C 0.356 174.997 174.700 -0.098 0.000 1.005 327 T CA -0.079 61.980 62.100 -0.069 0.000 1.041 327 T CB 1.851 70.686 68.868 -0.056 0.000 1.042 327 T HN 1.193 nan 8.240 nan 0.000 0.505 328 G N 1.436 110.169 108.800 -0.111 0.000 2.756 328 G HA2 0.034 3.994 3.960 -0.000 0.000 0.678 328 G HA3 0.034 3.994 3.960 -0.000 0.000 0.678 328 G C -0.878 173.865 174.900 -0.262 0.000 1.349 328 G CA -1.025 43.973 45.100 -0.170 0.000 0.847 328 G HN 0.862 nan 8.290 nan 0.000 0.548 329 R N -0.039 120.185 120.500 -0.460 0.000 2.902 329 R HA 0.771 5.111 4.340 -0.000 0.000 0.258 329 R C 1.565 177.335 176.300 -0.882 0.000 1.071 329 R CA -0.224 55.413 56.100 -0.771 0.000 1.024 329 R CB 1.035 30.529 30.300 -1.343 0.000 1.184 329 R HN 1.215 nan 8.270 nan 0.000 0.492 330 A N 0.733 122.972 122.820 -0.967 0.000 1.978 330 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 330 A C 1.466 178.837 177.584 -0.355 0.000 1.170 330 A CA 1.642 53.254 52.037 -0.708 0.000 0.636 330 A CB -0.652 17.739 19.000 -1.015 0.000 0.810 330 A HN 0.837 nan 8.150 nan 0.000 0.448 331 W N -0.705 120.536 121.300 -0.098 0.000 3.139 331 W HA 0.382 5.042 4.660 -0.001 0.000 0.260 331 W C 1.139 177.636 176.519 -0.036 0.000 1.312 331 W CA 0.524 57.839 57.345 -0.049 0.000 1.606 331 W CB -0.154 29.305 29.460 -0.003 0.000 1.118 331 W HN 0.325 nan 8.180 nan 0.000 0.675 332 E N 0.802 120.833 120.200 -0.281 0.000 2.162 332 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 332 E C 1.652 178.174 176.600 -0.129 0.000 0.953 332 E CA 0.710 57.025 56.400 -0.142 0.000 0.849 332 E CB -0.168 29.415 29.700 -0.195 0.000 0.810 332 E HN 0.123 nan 8.360 nan 0.000 0.470 333 N N 0.236 118.819 118.700 -0.194 0.000 2.463 333 N HA -0.007 4.733 4.740 -0.000 0.000 0.181 333 N C -0.268 175.173 175.510 -0.115 0.000 1.078 333 N CA 0.691 53.652 53.050 -0.149 0.000 0.902 333 N CB 0.586 38.967 38.487 -0.178 0.000 0.970 333 N HN -0.058 nan 8.380 nan 0.000 0.451 334 T N 1.084 115.575 114.554 -0.105 0.000 2.847 334 T HA 0.501 4.851 4.350 -0.000 0.000 0.291 334 T C -0.306 174.382 174.700 -0.020 0.000 0.998 334 T CA -0.743 61.317 62.100 -0.067 0.000 0.967 334 T CB 2.014 70.832 68.868 -0.083 0.000 0.954 334 T HN -0.049 nan 8.240 nan 0.000 0.441 335 V N 0.976 120.884 119.914 -0.011 0.000 2.823 335 V HA 0.860 4.979 4.120 -0.000 0.000 0.312 335 V C -0.464 175.636 176.094 0.011 0.000 1.072 335 V CA -0.995 61.313 62.300 0.014 0.000 0.937 335 V CB 1.845 33.678 31.823 0.018 0.000 1.013 335 V HN 0.547 nan 8.190 nan 0.000 0.430 336 V N 3.004 122.931 119.914 0.021 0.000 2.407 336 V HA 0.442 4.561 4.120 -0.000 0.000 0.278 336 V C -0.388 175.716 176.094 0.015 0.000 1.037 336 V CA 0.142 62.453 62.300 0.017 0.000 0.900 336 V CB 1.233 33.070 31.823 0.023 0.000 0.983 336 V HN 1.106 nan 8.190 nan 0.000 0.459 337 D N 4.949 125.355 120.400 0.009 0.000 2.441 337 D HA 0.558 5.197 4.640 -0.000 0.000 0.231 337 D C -0.867 175.437 176.300 0.007 0.000 1.073 337 D CA -0.207 53.798 54.000 0.008 0.000 0.850 337 D CB 1.323 42.126 40.800 0.004 0.000 1.062 337 D HN 0.317 nan 8.370 nan 0.000 0.524 365 L N 1.837 123.052 121.223 -0.014 0.000 2.456 365 L HA 0.362 4.702 4.340 -0.000 0.000 0.272 365 L C 1.641 178.511 176.870 -0.001 0.000 1.189 365 L CA -0.213 54.614 54.840 -0.022 0.000 0.846 365 L CB 0.964 42.994 42.059 -0.048 0.000 1.111 365 L HN 0.822 nan 8.230 nan 0.000 0.475 366 T N -1.133 113.422 114.554 0.001 0.000 2.813 366 T HA -0.009 4.341 4.350 -0.000 0.000 0.297 366 T C 0.913 175.642 174.700 0.048 0.000 1.036 366 T CA -0.210 61.910 62.100 0.034 0.000 1.044 366 T CB 0.583 69.468 68.868 0.027 0.000 0.993 366 T HN 0.532 nan 8.240 nan 0.000 0.535 367 Y N 1.602 121.887 120.300 -0.024 0.000 2.128 367 Y HA -0.144 4.406 4.550 -0.001 0.000 0.284 367 Y C 2.689 178.571 175.900 -0.030 0.000 1.154 367 Y CA 2.244 60.330 58.100 -0.024 0.000 1.149 367 Y CB -0.923 37.528 38.460 -0.015 0.000 0.976 367 Y HN 0.711 nan 8.280 nan 0.000 0.505 368 S N 0.318 115.936 115.700 -0.136 0.000 2.374 368 S HA -0.302 4.167 4.470 -0.000 0.000 0.227 368 S C 1.802 176.267 174.600 -0.226 0.000 1.037 368 S CA 1.857 59.925 58.200 -0.220 0.000 1.024 368 S CB -0.397 62.757 63.200 -0.077 0.000 0.861 368 S HN 0.637 nan 8.310 nan 0.000 0.456 369 Q N 0.189 119.895 119.800 -0.157 0.000 2.123 369 Q HA 0.051 4.390 4.340 -0.000 0.000 0.199 369 Q C 2.245 178.148 176.000 -0.161 0.000 0.966 369 Q CA 0.833 56.550 55.803 -0.145 0.000 0.845 369 Q CB -0.300 28.377 28.738 -0.102 0.000 0.907 369 Q HN 0.379 nan 8.270 nan 0.000 0.439 370 L N 0.161 121.283 121.223 -0.168 0.000 2.131 370 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 370 L C 1.997 178.749 176.870 -0.196 0.000 1.092 370 L CA 1.593 56.339 54.840 -0.157 0.000 0.759 370 L CB -0.113 41.881 42.059 -0.108 0.000 0.903 370 L HN 0.242 nan 8.230 nan 0.000 0.435 371 M N -1.550 117.869 119.600 -0.301 0.000 2.099 371 M HA -0.184 4.296 4.480 -0.000 0.000 0.262 371 M C 2.066 178.261 176.300 -0.176 0.000 1.067 371 M CA 2.240 57.381 55.300 -0.265 0.000 1.124 371 M CB -0.545 31.838 32.600 -0.361 0.000 1.353 371 M HN 0.222 nan 8.290 nan 0.000 0.410 372 T N 1.208 115.657 114.554 -0.175 0.000 2.720 372 T HA -0.171 4.178 4.350 -0.000 0.000 0.268 372 T C 1.645 176.277 174.700 -0.113 0.000 1.037 372 T CA 1.423 63.442 62.100 -0.134 0.000 1.144 372 T CB -0.390 68.394 68.868 -0.140 0.000 0.864 372 T HN 0.248 nan 8.240 nan 0.000 0.444 373 L N 1.226 122.375 121.223 -0.124 0.000 2.017 373 L HA -0.001 4.338 4.340 -0.000 0.000 0.208 373 L C 2.191 179.002 176.870 -0.099 0.000 1.073 373 L CA 1.817 56.587 54.840 -0.117 0.000 0.745 373 L CB -0.566 41.412 42.059 -0.135 0.000 0.894 373 L HN 0.069 nan 8.230 nan 0.000 0.432 374 K N -0.484 119.858 120.400 -0.096 0.000 2.063 374 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 374 K C 1.789 178.355 176.600 -0.057 0.000 1.048 374 K CA 1.638 57.881 56.287 -0.072 0.000 0.928 374 K CB -0.296 32.163 32.500 -0.069 0.000 0.713 374 K HN 0.369 nan 8.250 nan 0.000 0.442 375 D N 0.503 120.864 120.400 -0.064 0.000 2.117 375 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 375 D C 1.789 178.066 176.300 -0.040 0.000 0.982 375 D CA 1.247 55.218 54.000 -0.048 0.000 0.828 375 D CB -0.142 40.625 40.800 -0.055 0.000 0.967 375 D HN 0.201 nan 8.370 nan 0.000 0.464 376 A N 0.522 123.311 122.820 -0.051 0.000 1.969 376 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 376 A C 2.040 179.601 177.584 -0.039 0.000 1.169 376 A CA 1.024 53.034 52.037 -0.044 0.000 0.635 376 A CB -0.404 18.562 19.000 -0.056 0.000 0.810 376 A HN 0.108 nan 8.150 nan 0.000 0.445 377 M N -0.228 119.345 119.600 -0.045 0.000 2.358 377 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 377 M C 1.762 178.052 176.300 -0.017 0.000 1.064 377 M CA 0.956 56.234 55.300 -0.037 0.000 1.093 377 M CB -1.241 31.332 32.600 -0.044 0.000 1.401 377 M HN 0.407 nan 8.290 nan 0.000 0.440 378 L N -0.456 120.763 121.223 -0.006 0.000 2.349 378 L HA -0.212 4.128 4.340 -0.000 0.000 0.220 378 L C 2.498 179.399 176.870 0.050 0.000 1.130 378 L CA 0.867 55.721 54.840 0.023 0.000 0.791 378 L CB -0.738 41.334 42.059 0.021 0.000 0.918 378 L HN 0.420 nan 8.230 nan 0.000 0.444 379 Q N 0.543 120.360 119.800 0.027 0.000 2.224 379 Q HA -0.082 4.258 4.340 -0.000 0.000 0.203 379 Q C 0.780 176.794 176.000 0.024 0.000 0.970 379 Q CA 0.492 56.318 55.803 0.040 0.000 0.865 379 Q CB 0.122 28.867 28.738 0.012 0.000 0.922 379 Q HN 0.450 nan 8.270 nan 0.000 0.445 380 L N 1.890 123.099 121.223 -0.024 0.000 2.456 380 L HA 0.026 4.366 4.340 -0.000 0.000 0.272 380 L C 0.076 176.792 176.870 -0.257 0.000 1.189 380 L CA -0.314 54.466 54.840 -0.100 0.000 0.846 380 L CB 0.272 42.281 42.059 -0.084 0.000 1.111 380 L HN 0.023 nan 8.230 nan 0.000 0.475 381 D N 4.502 124.633 120.400 -0.449 0.000 2.380 381 D HA 0.163 4.803 4.640 -0.000 0.000 0.230 381 D C -1.545 174.465 176.300 -0.484 0.000 1.154 381 D CA -2.277 51.167 54.000 -0.927 0.000 0.859 381 D CB 1.284 41.523 40.800 -0.934 0.000 1.045 381 D HN 0.172 nan 8.370 nan 0.000 0.495 382 P HA -0.142 nan 4.420 nan 0.000 0.220 382 P C 0.148 177.357 177.300 -0.150 0.000 1.144 382 P CA 1.059 64.053 63.100 -0.177 0.000 0.800 382 P CB 0.274 31.918 31.700 -0.093 0.000 0.772 383 N N -0.564 118.028 118.700 -0.180 0.000 2.373 383 N HA 0.147 4.886 4.740 -0.000 0.000 0.181 383 N C 0.793 176.232 175.510 -0.118 0.000 1.082 383 N CA -0.040 52.944 53.050 -0.110 0.000 0.885 383 N CB -0.192 38.263 38.487 -0.053 0.000 0.977 383 N HN 0.099 nan 8.380 nan 0.000 0.462 384 A N 1.156 123.878 122.820 -0.163 0.000 2.386 384 A HA 0.135 4.455 4.320 -0.000 0.000 0.248 384 A C 0.355 177.860 177.584 -0.131 0.000 1.082 384 A CA -0.434 51.520 52.037 -0.138 0.000 0.789 384 A CB 0.259 19.163 19.000 -0.159 0.000 1.025 384 A HN 0.187 nan 8.150 nan 0.000 0.490 385 K N 0.721 121.048 120.400 -0.123 0.000 2.491 385 K HA 0.158 4.478 4.320 -0.000 0.000 0.279 385 K C -0.896 175.612 176.600 -0.155 0.000 1.026 385 K CA 0.876 57.073 56.287 -0.151 0.000 1.070 385 K CB 0.016 32.444 32.500 -0.120 0.000 0.887 385 K HN 0.644 nan 8.250 nan 0.000 0.481 386 T N 4.380 118.821 114.554 -0.189 0.000 2.937 386 T HA 0.238 4.588 4.350 -0.000 0.000 0.297 386 T C -1.270 173.349 174.700 -0.134 0.000 0.991 386 T CA -0.610 61.430 62.100 -0.100 0.000 0.990 386 T CB 0.326 69.151 68.868 -0.071 0.000 0.991 386 T HN 0.501 nan 8.240 nan 0.000 0.440 387 W N 3.126 124.428 121.300 0.004 0.000 2.381 387 W HA 0.736 5.395 4.660 -0.000 0.000 0.329 387 W C 0.174 176.736 176.519 0.071 0.000 1.157 387 W CA -0.812 56.571 57.345 0.064 0.000 1.240 387 W CB 1.175 30.708 29.460 0.123 0.000 1.199 387 W HN 0.397 nan 8.180 nan 0.000 0.579 388 M N 2.786 122.579 119.600 0.322 0.000 2.386 388 M HA 0.353 4.833 4.480 -0.000 0.000 0.293 388 M C -1.966 174.474 176.300 0.233 0.000 1.120 388 M CA -0.334 55.095 55.300 0.215 0.000 0.909 388 M CB 1.991 34.667 32.600 0.127 0.000 1.661 388 M HN 0.524 nan 8.290 nan 0.000 0.452 389 D N 3.457 123.948 120.400 0.152 0.000 2.661 389 D HA 0.734 5.374 4.640 -0.000 0.000 0.228 389 D C -1.565 174.771 176.300 0.060 0.000 1.183 389 D CA -0.513 53.567 54.000 0.133 0.000 0.844 389 D CB 2.255 43.104 40.800 0.082 0.000 1.555 389 D HN 0.649 nan 8.370 nan 0.000 0.453 390 I N -1.333 119.281 120.570 0.074 0.000 2.865 390 I HA 0.683 4.852 4.170 -0.000 0.000 0.302 390 I C -1.061 175.114 176.117 0.097 0.000 1.140 390 I CA -0.803 60.525 61.300 0.046 0.000 1.021 390 I CB 2.289 40.311 38.000 0.036 0.000 1.233 390 I HN 0.095 nan 8.210 nan 0.000 0.427 391 E N 2.397 122.664 120.200 0.111 0.000 2.207 391 E HA 0.695 5.045 4.350 -0.000 0.000 0.270 391 E C -0.110 176.602 176.600 0.187 0.000 0.927 391 E CA -0.120 56.399 56.400 0.200 0.000 0.799 391 E CB 1.912 31.776 29.700 0.273 0.000 1.172 391 E HN 1.126 nan 8.360 nan 0.000 0.404 392 G N 2.147 111.094 108.800 0.246 0.000 2.692 392 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.686 392 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.686 392 G C -0.517 174.470 174.900 0.145 0.000 1.243 392 G CA -0.823 44.403 45.100 0.210 0.000 0.782 392 G HN 0.456 nan 8.290 nan 0.000 0.625 393 R N 2.563 123.140 120.500 0.128 0.000 2.694 393 R HA 0.264 4.604 4.340 -0.000 0.000 0.268 393 R C -0.850 175.501 176.300 0.085 0.000 1.061 393 R CA -0.754 55.403 56.100 0.095 0.000 1.133 393 R CB 0.658 31.008 30.300 0.083 0.000 1.020 393 R HN 0.429 nan 8.270 nan 0.000 0.475 394 P HA -0.235 nan 4.420 nan 0.000 0.216 394 P C 0.460 177.796 177.300 0.060 0.000 1.150 394 P CA 1.566 64.703 63.100 0.061 0.000 0.843 394 P CB 0.136 31.867 31.700 0.051 0.000 0.787 395 E N -0.684 119.552 120.200 0.060 0.000 2.489 395 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 395 E C -0.012 176.629 176.600 0.068 0.000 1.057 395 E CA 0.473 56.908 56.400 0.058 0.000 0.866 395 E CB -0.396 29.334 29.700 0.050 0.000 0.916 395 E HN 0.149 nan 8.360 nan 0.000 0.500 396 D N 1.482 121.931 120.400 0.083 0.000 2.849 396 D HA 0.218 4.858 4.640 -0.000 0.000 0.314 396 D C -2.704 173.667 176.300 0.119 0.000 1.210 396 D CA -1.947 52.113 54.000 0.100 0.000 0.756 396 D CB 0.982 41.852 40.800 0.116 0.000 1.222 396 D HN -0.071 nan 8.370 nan 0.000 0.521 397 P HA 0.085 nan 4.420 nan 0.000 0.275 397 P C 0.861 178.213 177.300 0.087 0.000 1.227 397 P CA -0.358 62.790 63.100 0.081 0.000 0.781 397 P CB 1.911 33.636 31.700 0.041 0.000 0.906 398 V N -0.908 119.062 119.914 0.093 0.000 3.572 398 V HA 0.370 4.490 4.120 -0.000 0.000 0.260 398 V C 0.474 176.608 176.094 0.066 0.000 1.324 398 V CA 0.518 62.881 62.300 0.106 0.000 1.068 398 V CB -0.177 31.761 31.823 0.192 0.000 0.837 398 V HN 0.506 nan 8.190 nan 0.000 0.450 399 E N 0.750 120.937 120.200 -0.021 0.000 2.287 399 E HA 0.550 4.899 4.350 -0.000 0.000 0.274 399 E C -1.799 174.646 176.600 -0.257 0.000 0.896 399 E CA -0.603 55.709 56.400 -0.148 0.000 0.788 399 E CB 2.297 32.051 29.700 0.091 0.000 1.244 399 E HN 0.310 nan 8.360 nan 0.000 0.408 400 I N 2.361 122.582 120.570 -0.583 0.000 2.509 400 I HA 0.730 4.900 4.170 -0.000 0.000 0.293 400 I C -0.388 175.504 176.117 -0.375 0.000 1.020 400 I CA -0.766 60.215 61.300 -0.532 0.000 1.088 400 I CB 1.479 38.945 38.000 -0.891 0.000 1.267 400 I HN 0.591 nan 8.210 nan 0.000 0.430 401 A N 6.362 129.115 122.820 -0.112 0.000 2.486 401 A HA 0.883 5.203 4.320 -0.000 0.000 0.300 401 A C -1.527 176.113 177.584 0.094 0.000 1.048 401 A CA -0.399 51.648 52.037 0.016 0.000 0.696 401 A CB 1.874 20.829 19.000 -0.074 0.000 1.278 401 A HN 0.500 nan 8.150 nan 0.000 0.405 402 L N 1.273 122.598 121.223 0.171 0.000 2.354 402 L HA 0.730 5.070 4.340 -0.000 0.000 0.264 402 L C -0.970 176.069 176.870 0.282 0.000 1.008 402 L CA -0.508 54.454 54.840 0.203 0.000 0.819 402 L CB 1.955 44.112 42.059 0.163 0.000 1.339 402 L HN 0.688 nan 8.230 nan 0.000 0.420 403 Y N 1.167 121.545 120.300 0.131 0.000 2.362 403 Y HA 0.436 4.986 4.550 -0.000 0.000 0.326 403 Y C -1.337 174.647 175.900 0.139 0.000 1.083 403 Y CA -0.958 57.209 58.100 0.112 0.000 1.073 403 Y CB 1.802 40.276 38.460 0.024 0.000 1.211 403 Y HN 0.642 nan 8.280 nan 0.000 0.433 404 Q N 8.775 128.468 119.800 -0.177 0.000 2.509 404 Q HA 0.260 4.599 4.340 -0.000 0.000 0.236 404 Q C -1.976 173.673 176.000 -0.585 0.000 1.073 404 Q CA -2.029 53.590 55.803 -0.306 0.000 0.867 404 Q CB 1.677 30.331 28.738 -0.139 0.000 1.181 404 Q HN 0.494 nan 8.270 nan 0.000 0.526 405 P HA -0.197 nan 4.420 nan 0.000 0.219 405 P C 1.294 178.453 177.300 -0.234 0.000 1.146 405 P CA 1.190 63.848 63.100 -0.737 0.000 0.808 405 P CB 0.496 31.957 31.700 -0.399 0.000 0.779 406 S N 0.134 115.735 115.700 -0.166 0.000 2.368 406 S HA -0.080 4.389 4.470 -0.000 0.000 0.224 406 S C 2.012 176.593 174.600 -0.032 0.000 1.029 406 S CA 1.806 59.964 58.200 -0.071 0.000 0.988 406 S CB -0.596 62.567 63.200 -0.060 0.000 0.838 406 S HN 0.350 nan 8.310 nan 0.000 0.462 407 S N -0.856 114.820 115.700 -0.039 0.000 2.517 407 S HA 0.404 4.874 4.470 -0.000 0.000 0.214 407 S C 1.441 176.067 174.600 0.045 0.000 0.991 407 S CA 0.751 58.956 58.200 0.009 0.000 0.906 407 S CB 0.222 63.425 63.200 0.005 0.000 0.789 407 S HN 1.047 nan 8.310 nan 0.000 0.513 408 G N 1.291 110.116 108.800 0.042 0.000 2.143 408 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.248 408 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.248 408 G C 0.299 175.351 174.900 0.254 0.000 0.991 408 G CA 0.087 45.291 45.100 0.173 0.000 0.689 408 G HN 1.343 nan 8.290 nan 0.000 0.522 409 C N -0.381 119.019 119.300 0.166 0.000 2.382 409 C HA 1.014 5.473 4.460 -0.000 0.000 0.363 409 C C 0.039 175.200 174.990 0.286 0.000 1.213 409 C CA -1.122 57.993 59.018 0.162 0.000 2.363 409 C CB 0.550 28.314 27.740 0.040 0.000 2.397 409 C HN 1.439 nan 8.230 nan 0.000 0.573 410 Y N -0.774 119.596 120.300 0.116 0.000 2.544 410 Y HA 0.825 5.375 4.550 -0.000 0.000 0.342 410 Y C -1.271 174.691 175.900 0.103 0.000 1.062 410 Y CA -1.822 56.350 58.100 0.120 0.000 1.023 410 Y CB 0.777 39.261 38.460 0.040 0.000 1.308 410 Y HN 0.703 nan 8.280 nan 0.000 0.457 411 I N 4.111 124.830 120.570 0.249 0.000 2.378 411 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 411 I C -0.845 175.515 176.117 0.405 0.000 0.992 411 I CA -0.509 60.928 61.300 0.228 0.000 1.154 411 I CB 1.415 39.534 38.000 0.197 0.000 1.315 411 I HN 0.825 nan 8.210 nan 0.000 0.448 412 H N 7.840 127.079 119.070 0.282 0.000 3.017 412 H HA 0.530 5.085 4.556 -0.000 0.000 0.340 412 H C -1.748 173.640 175.328 0.099 0.000 1.014 412 H CA -0.569 55.562 56.048 0.138 0.000 1.341 412 H CB 1.717 31.592 29.762 0.188 0.000 1.739 412 H HN 0.576 nan 8.280 nan 0.000 0.506 413 F N 2.682 122.250 119.950 -0.637 0.000 2.831 413 F HA 0.665 5.192 4.527 -0.000 0.000 0.318 413 F C -2.272 172.924 175.800 -1.007 0.000 1.174 413 F CA -1.022 56.503 58.000 -0.792 0.000 0.918 413 F CB 1.317 40.129 39.000 -0.313 0.000 1.364 413 F HN 0.203 nan 8.300 nan 0.000 0.475 414 F N 0.217 120.082 119.950 -0.142 0.000 2.664 414 F HA 0.814 5.340 4.527 -0.000 0.000 0.329 414 F C -0.457 175.316 175.800 -0.045 0.000 1.090 414 F CA -1.060 56.831 58.000 -0.180 0.000 0.978 414 F CB 2.211 41.082 39.000 -0.214 0.000 1.378 414 F HN 0.687 nan 8.300 nan 0.000 0.495 415 R N 0.677 121.272 120.500 0.159 0.000 2.561 415 R HA 0.268 4.608 4.340 -0.000 0.000 0.266 415 R C -1.635 174.713 176.300 0.080 0.000 1.091 415 R CA -0.629 55.539 56.100 0.113 0.000 0.927 415 R CB 1.862 32.221 30.300 0.098 0.000 1.240 415 R HN 0.794 nan 8.270 nan 0.000 0.449 416 E N 4.918 125.153 120.200 0.058 0.000 2.360 416 E HA 0.143 4.493 4.350 -0.000 0.000 0.269 416 E C -2.030 174.573 176.600 0.005 0.000 1.022 416 E CA -1.549 54.859 56.400 0.014 0.000 0.887 416 E CB 0.831 30.562 29.700 0.052 0.000 0.990 416 E HN 0.353 nan 8.360 nan 0.000 0.426 417 P HA -0.053 nan 4.420 nan 0.000 0.275 417 P C 0.484 177.792 177.300 0.014 0.000 1.228 417 P CA -0.034 63.072 63.100 0.010 0.000 0.786 417 P CB 1.212 32.900 31.700 -0.020 0.000 0.927 418 T N -2.228 112.356 114.554 0.050 0.000 2.976 418 T HA -0.031 4.319 4.350 -0.000 0.000 0.257 418 T C 0.641 175.374 174.700 0.055 0.000 1.051 418 T CA 0.584 62.709 62.100 0.042 0.000 1.141 418 T CB -0.513 68.380 68.868 0.042 0.000 0.881 418 T HN 0.268 nan 8.240 nan 0.000 0.461 419 D N 1.184 121.635 120.400 0.085 0.000 2.468 419 D HA 0.192 4.832 4.640 -0.000 0.000 0.218 419 D C 0.941 177.328 176.300 0.144 0.000 1.155 419 D CA -0.406 53.655 54.000 0.101 0.000 0.924 419 D CB 0.487 41.350 40.800 0.105 0.000 1.029 419 D HN 0.282 nan 8.370 nan 0.000 0.515 420 L N 3.826 125.115 121.223 0.110 0.000 2.201 420 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 420 L C 2.254 179.241 176.870 0.195 0.000 1.105 420 L CA 1.137 56.058 54.840 0.135 0.000 0.775 420 L CB 0.002 42.105 42.059 0.073 0.000 0.913 420 L HN 0.270 nan 8.230 nan 0.000 0.440 421 K N -0.682 119.803 120.400 0.142 0.000 2.001 421 K HA -0.274 4.046 4.320 -0.000 0.000 0.208 421 K C 2.192 178.875 176.600 0.139 0.000 1.048 421 K CA 1.783 58.145 56.287 0.124 0.000 0.932 421 K CB -0.094 32.457 32.500 0.085 0.000 0.715 421 K HN 0.194 nan 8.250 nan 0.000 0.437 422 Q N 0.074 119.960 119.800 0.142 0.000 2.224 422 Q HA -0.132 4.208 4.340 -0.000 0.000 0.203 422 Q C 1.699 177.800 176.000 0.168 0.000 0.970 422 Q CA 1.388 57.267 55.803 0.127 0.000 0.865 422 Q CB -0.347 28.459 28.738 0.112 0.000 0.922 422 Q HN 0.415 nan 8.270 nan 0.000 0.445 423 F N 0.678 120.689 119.950 0.101 0.000 2.075 423 F HA -0.174 4.353 4.527 -0.000 0.000 0.297 423 F C 1.675 177.554 175.800 0.131 0.000 1.113 423 F CA 1.523 59.611 58.000 0.147 0.000 1.218 423 F CB -0.058 39.026 39.000 0.139 0.000 0.984 423 F HN -0.036 nan 8.300 nan 0.000 0.472 424 K N 0.234 120.788 120.400 0.256 0.000 2.152 424 K HA -0.191 4.128 4.320 -0.000 0.000 0.206 424 K C 1.992 178.591 176.600 -0.003 0.000 1.048 424 K CA 1.247 57.601 56.287 0.112 0.000 0.933 424 K CB -0.558 32.045 32.500 0.171 0.000 0.721 424 K HN 0.453 nan 8.250 nan 0.000 0.447 425 Q N 0.720 120.540 119.800 0.033 0.000 2.083 425 Q HA -0.113 4.227 4.340 -0.000 0.000 0.198 425 Q C 1.617 177.632 176.000 0.025 0.000 0.969 425 Q CA 1.146 56.998 55.803 0.081 0.000 0.838 425 Q CB -0.222 28.544 28.738 0.047 0.000 0.900 425 Q HN 0.306 nan 8.270 nan 0.000 0.436 426 D N 0.778 121.088 120.400 -0.150 0.000 2.178 426 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 426 D C 1.715 177.527 176.300 -0.813 0.000 0.980 426 D CA 1.275 55.058 54.000 -0.362 0.000 0.842 426 D CB -0.073 40.563 40.800 -0.273 0.000 0.948 426 D HN 0.232 nan 8.370 nan 0.000 0.472 427 A N 1.116 123.473 122.820 -0.772 0.000 1.898 427 A HA -0.163 4.156 4.320 -0.000 0.000 0.216 427 A C 2.038 179.424 177.584 -0.330 0.000 1.181 427 A CA 1.203 52.882 52.037 -0.597 0.000 0.620 427 A CB -0.157 18.654 19.000 -0.315 0.000 0.819 427 A HN 0.014 nan 8.150 nan 0.000 0.442 428 K N -1.382 118.873 120.400 -0.241 0.000 2.155 428 K HA -0.050 4.270 4.320 -0.000 0.000 0.203 428 K C 1.190 177.519 176.600 -0.453 0.000 1.052 428 K CA 1.307 57.404 56.287 -0.316 0.000 0.948 428 K CB -0.333 31.970 32.500 -0.329 0.000 0.728 428 K HN 0.723 nan 8.250 nan 0.000 0.448 429 Y N -0.860 119.319 120.300 -0.202 0.000 2.430 429 Y HA 0.141 4.691 4.550 -0.000 0.000 0.248 429 Y C 2.262 178.045 175.900 -0.195 0.000 1.108 429 Y CA 0.042 58.046 58.100 -0.160 0.000 1.264 429 Y CB 0.968 39.364 38.460 -0.106 0.000 1.172 429 Y HN -0.048 nan 8.280 nan 0.000 0.520 430 S N -1.358 114.251 115.700 -0.151 0.000 3.730 430 S HA 0.002 4.471 4.470 -0.000 0.000 0.218 430 S C 1.310 175.825 174.600 -0.142 0.000 1.053 430 S CA 0.559 58.672 58.200 -0.146 0.000 0.878 430 S CB -0.337 62.882 63.200 0.033 0.000 1.064 430 S HN 0.533 nan 8.310 nan 0.000 0.583 431 H N -0.713 118.370 119.070 0.022 0.000 2.729 431 H HA 0.525 5.081 4.556 -0.000 0.000 0.263 431 H C 1.331 176.779 175.328 0.201 0.000 0.961 431 H CA 0.838 56.992 56.048 0.177 0.000 1.217 431 H CB -0.647 29.265 29.762 0.250 0.000 1.447 431 H HN 0.565 nan 8.280 nan 0.000 0.496 432 G N 1.163 110.051 108.800 0.148 0.000 2.203 432 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.263 432 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.263 432 G C 0.004 175.012 174.900 0.179 0.000 1.012 432 G CA 0.510 45.674 45.100 0.106 0.000 0.749 432 G HN 0.513 nan 8.290 nan 0.000 0.512 433 I N 0.603 121.375 120.570 0.337 0.000 2.441 433 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 433 I C 0.319 176.578 176.117 0.237 0.000 1.049 433 I CA -0.599 60.787 61.300 0.143 0.000 1.381 433 I CB 0.936 38.917 38.000 -0.033 0.000 1.409 433 I HN 0.003 nan 8.210 nan 0.000 0.523 434 D N 5.909 126.382 120.400 0.121 0.000 2.325 434 D HA 0.030 4.669 4.640 -0.000 0.000 0.251 434 D C 0.874 177.192 176.300 0.029 0.000 1.196 434 D CA -0.041 54.016 54.000 0.096 0.000 0.866 434 D CB 1.661 42.456 40.800 -0.009 0.000 1.101 434 D HN 0.361 nan 8.370 nan 0.000 0.476 435 V N 4.137 124.087 119.914 0.061 0.000 2.370 435 V HA -0.302 3.818 4.120 -0.000 0.000 0.252 435 V C 2.223 177.945 176.094 -0.620 0.000 1.068 435 V CA 3.219 65.313 62.300 -0.343 0.000 1.061 435 V CB -0.655 30.868 31.823 -0.500 0.000 0.656 435 V HN 0.861 nan 8.190 nan 0.000 0.455 436 T N -3.262 110.893 114.554 -0.664 0.000 2.915 436 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 436 T C 1.550 175.778 174.700 -0.786 0.000 1.071 436 T CA 1.415 62.822 62.100 -1.155 0.000 1.132 436 T CB -0.569 67.964 68.868 -0.559 0.000 0.878 436 T HN 0.535 nan 8.240 nan 0.000 0.479 437 D N 1.109 121.268 120.400 -0.401 0.000 2.350 437 D HA 0.086 4.726 4.640 -0.000 0.000 0.216 437 D C 1.807 177.985 176.300 -0.203 0.000 0.968 437 D CA 0.454 54.316 54.000 -0.229 0.000 0.894 437 D CB -0.069 40.635 40.800 -0.160 0.000 0.909 437 D HN 0.440 nan 8.370 nan 0.000 0.520 438 L N -0.270 120.784 121.223 -0.283 0.000 2.509 438 L HA -0.004 4.336 4.340 -0.000 0.000 0.222 438 L C 1.803 178.702 176.870 0.049 0.000 1.123 438 L CA -0.031 54.719 54.840 -0.150 0.000 0.856 438 L CB -0.147 41.825 42.059 -0.145 0.000 0.985 438 L HN -0.091 nan 8.230 nan 0.000 0.456 439 F N 0.927 120.854 119.950 -0.038 0.000 2.161 439 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 439 F C 2.579 178.389 175.800 0.016 0.000 1.089 439 F CA 0.825 58.815 58.000 -0.018 0.000 1.282 439 F CB -1.214 37.777 39.000 -0.015 0.000 1.010 439 F HN 0.048 nan 8.300 nan 0.000 0.485 440 A N -0.438 122.521 122.820 0.231 0.000 2.206 440 A HA 0.003 4.322 4.320 -0.000 0.000 0.211 440 A C 1.196 178.923 177.584 0.238 0.000 1.158 440 A CA 0.835 53.011 52.037 0.232 0.000 0.761 440 A CB -1.337 17.810 19.000 0.244 0.000 0.801 440 A HN 0.336 nan 8.150 nan 0.000 0.473 441 T N -1.857 112.749 114.554 0.087 0.000 2.904 441 T HA 0.421 4.771 4.350 -0.000 0.000 0.290 441 T C -0.063 174.635 174.700 -0.004 0.000 1.018 441 T CA -0.547 61.490 62.100 -0.105 0.000 1.075 441 T CB 0.945 69.712 68.868 -0.168 0.000 0.986 441 T HN 0.252 nan 8.240 nan 0.000 0.523 442 Q N 3.055 122.838 119.800 -0.030 0.000 2.297 442 Q HA 0.308 4.648 4.340 -0.000 0.000 0.267 442 Q C -2.284 173.730 176.000 0.023 0.000 1.006 442 Q CA -1.604 54.203 55.803 0.008 0.000 0.896 442 Q CB 0.395 29.128 28.738 -0.008 0.000 1.186 442 Q HN 0.491 nan 8.270 nan 0.000 0.392 443 P HA 0.210 nan 4.420 nan 0.000 0.274 443 P C 0.019 177.330 177.300 0.018 0.000 1.231 443 P CA 0.424 63.544 63.100 0.033 0.000 0.790 443 P CB 0.987 32.701 31.700 0.025 0.000 0.951 444 G N 1.165 109.984 108.800 0.031 0.000 2.136 444 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.242 444 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.242 444 G C 0.653 175.540 174.900 -0.022 0.000 0.989 444 G CA 0.205 45.313 45.100 0.013 0.000 0.682 444 G HN 0.482 nan 8.290 nan 0.000 0.522 445 L N -0.248 120.958 121.223 -0.029 0.000 2.179 445 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 445 L C 3.041 179.810 176.870 -0.167 0.000 1.096 445 L CA 1.805 56.512 54.840 -0.222 0.000 0.779 445 L CB -0.534 41.266 42.059 -0.431 0.000 0.922 445 L HN 0.335 nan 8.230 nan 0.000 0.443 446 T N -0.452 114.218 114.554 0.194 0.000 2.635 446 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 446 T C 2.071 176.845 174.700 0.122 0.000 1.040 446 T CA 2.042 64.329 62.100 0.312 0.000 1.156 446 T CB -0.263 68.760 68.868 0.258 0.000 0.863 446 T HN 0.548 nan 8.240 nan 0.000 0.430 447 S N 1.695 117.431 115.700 0.060 0.000 2.383 447 S HA 0.089 4.558 4.470 -0.000 0.000 0.227 447 S C 2.411 177.007 174.600 -0.008 0.000 1.026 447 S CA 0.921 59.139 58.200 0.029 0.000 0.981 447 S CB -0.570 62.645 63.200 0.024 0.000 0.818 447 S HN 0.503 nan 8.310 nan 0.000 0.472 448 A N 1.484 124.276 122.820 -0.047 0.000 1.898 448 A HA 0.143 4.463 4.320 -0.000 0.000 0.216 448 A C 2.409 179.934 177.584 -0.098 0.000 1.181 448 A CA 1.445 53.437 52.037 -0.075 0.000 0.620 448 A CB -1.056 17.884 19.000 -0.099 0.000 0.819 448 A HN 0.429 nan 8.150 nan 0.000 0.442 449 V N 0.252 120.072 119.914 -0.156 0.000 2.261 449 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 449 V C 2.414 178.487 176.094 -0.035 0.000 1.047 449 V CA 2.046 64.259 62.300 -0.146 0.000 1.015 449 V CB -0.648 31.008 31.823 -0.277 0.000 0.642 449 V HN 0.569 nan 8.190 nan 0.000 0.446 450 I N 0.139 120.718 120.570 0.016 0.000 2.361 450 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 450 I C 2.198 178.323 176.117 0.013 0.000 1.133 450 I CA 1.429 62.752 61.300 0.039 0.000 1.413 450 I CB -0.422 37.616 38.000 0.064 0.000 1.073 450 I HN 0.348 nan 8.210 nan 0.000 0.424 451 D N 0.961 121.361 120.400 -0.000 0.000 2.144 451 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 451 D C 2.064 178.357 176.300 -0.013 0.000 0.978 451 D CA 1.429 55.425 54.000 -0.006 0.000 0.833 451 D CB 0.008 40.802 40.800 -0.010 0.000 0.961 451 D HN 0.344 nan 8.370 nan 0.000 0.470 452 A N 0.016 122.821 122.820 -0.025 0.000 2.218 452 A HA 0.141 4.461 4.320 -0.000 0.000 0.209 452 A C 1.015 178.586 177.584 -0.021 0.000 1.168 452 A CA -0.199 51.821 52.037 -0.028 0.000 0.804 452 A CB -0.242 18.730 19.000 -0.047 0.000 0.834 452 A HN 0.139 nan 8.150 nan 0.000 0.482 453 L N 2.065 123.280 121.223 -0.013 0.000 2.540 453 L HA 0.109 4.448 4.340 -0.000 0.000 0.276 453 L C -1.865 174.998 176.870 -0.012 0.000 1.212 453 L CA -1.393 53.441 54.840 -0.009 0.000 0.893 453 L CB 0.200 42.261 42.059 0.003 0.000 1.138 453 L HN 0.161 nan 8.230 nan 0.000 0.491 454 P HA -0.011 nan 4.420 nan 0.000 0.265 454 P C -0.445 176.846 177.300 -0.015 0.000 1.187 454 P CA -0.282 62.808 63.100 -0.017 0.000 0.766 454 P CB 0.427 32.109 31.700 -0.029 0.000 0.820 455 R N 3.183 123.677 120.500 -0.009 0.000 2.640 455 R HA 0.024 4.364 4.340 -0.000 0.000 0.270 455 R C 0.797 177.089 176.300 -0.013 0.000 1.024 455 R CA 0.626 56.721 56.100 -0.008 0.000 1.085 455 R CB -0.733 29.565 30.300 -0.003 0.000 0.963 455 R HN 0.475 nan 8.270 nan 0.000 0.426 456 N N 1.345 120.036 118.700 -0.015 0.000 2.741 456 N HA -0.258 4.482 4.740 -0.000 0.000 0.250 456 N C -0.646 174.846 175.510 -0.030 0.000 1.115 456 N CA 1.000 54.039 53.050 -0.019 0.000 0.724 456 N CB -1.189 37.289 38.487 -0.015 0.000 1.090 456 N HN 0.607 nan 8.380 nan 0.000 0.558 457 M N 0.607 120.187 119.600 -0.034 0.000 2.250 457 M HA 0.221 4.701 4.480 -0.000 0.000 0.344 457 M C -0.050 176.218 176.300 -0.054 0.000 1.150 457 M CA -0.183 55.088 55.300 -0.048 0.000 1.147 457 M CB 1.015 33.587 32.600 -0.046 0.000 1.498 457 M HN -0.108 nan 8.290 nan 0.000 0.461 458 V N 6.081 125.951 119.914 -0.073 0.000 2.357 458 V HA 0.419 4.538 4.120 -0.000 0.000 0.284 458 V C -0.287 175.738 176.094 -0.116 0.000 1.018 458 V CA -0.505 61.743 62.300 -0.087 0.000 0.841 458 V CB 1.217 32.985 31.823 -0.092 0.000 0.991 458 V HN 0.703 nan 8.190 nan 0.000 0.437 459 I N 3.933 124.436 120.570 -0.111 0.000 2.354 459 I HA 0.389 4.559 4.170 -0.000 0.000 0.292 459 I C 0.316 176.314 176.117 -0.199 0.000 0.989 459 I CA 0.009 61.232 61.300 -0.129 0.000 1.188 459 I CB 2.082 40.045 38.000 -0.061 0.000 1.342 459 I HN 0.537 nan 8.210 nan 0.000 0.457 460 T N 5.543 119.883 114.554 -0.355 0.000 2.875 460 T HA 0.564 4.914 4.350 -0.000 0.000 0.284 460 T C -0.573 173.855 174.700 -0.454 0.000 0.995 460 T CA -0.396 61.355 62.100 -0.581 0.000 1.060 460 T CB 0.821 69.047 68.868 -1.070 0.000 0.967 460 T HN 0.783 nan 8.240 nan 0.000 0.476 461 C N 2.054 121.209 119.300 -0.242 0.000 3.307 461 C HA 0.520 4.980 4.460 -0.000 0.000 0.333 461 C C -0.379 174.722 174.990 0.186 0.000 1.291 461 C CA -1.064 58.048 59.018 0.156 0.000 1.273 461 C CB 1.493 29.309 27.740 0.128 0.000 1.580 461 C HN 0.574 nan 8.230 nan 0.000 0.481 462 Q N 0.814 120.775 119.800 0.269 0.000 2.894 462 Q HA 0.428 4.768 4.340 -0.000 0.000 0.358 462 Q C 0.854 176.861 176.000 0.013 0.000 1.155 462 Q CA 1.027 56.830 55.803 -0.001 0.000 0.960 462 Q CB 0.316 28.786 28.738 -0.447 0.000 1.428 462 Q HN 1.209 nan 8.270 nan 0.000 0.437 463 G N -1.850 106.972 108.800 0.037 0.000 4.253 463 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.169 463 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.169 463 G C 0.491 175.403 174.900 0.020 0.000 1.295 463 G CA 0.616 45.736 45.100 0.033 0.000 1.021 463 G HN 0.236 nan 8.290 nan 0.000 0.381 464 S N -0.437 115.278 115.700 0.025 0.000 1.706 464 S HA -0.319 4.151 4.470 -0.000 0.000 0.229 464 S C 1.377 175.985 174.600 0.013 0.000 0.861 464 S CA 2.406 60.610 58.200 0.008 0.000 1.488 464 S CB -1.537 61.658 63.200 -0.009 0.000 1.943 464 S HN 0.516 nan 8.310 nan 0.000 0.533 465 D N 0.984 121.393 120.400 0.015 0.000 2.137 465 D HA -0.062 4.578 4.640 -0.000 0.000 0.202 465 D C 1.698 178.013 176.300 0.025 0.000 0.970 465 D CA 1.588 55.598 54.000 0.016 0.000 0.837 465 D CB -0.396 40.411 40.800 0.012 0.000 0.981 465 D HN 0.817 nan 8.370 nan 0.000 0.475 466 D N 0.839 121.259 120.400 0.034 0.000 2.149 466 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 466 D C 2.177 178.504 176.300 0.045 0.000 0.972 466 D CA 0.411 54.437 54.000 0.043 0.000 0.835 466 D CB -0.526 40.306 40.800 0.053 0.000 0.966 466 D HN 0.163 nan 8.370 nan 0.000 0.476 467 I N 1.153 121.751 120.570 0.047 0.000 2.142 467 I HA -0.194 3.976 4.170 -0.000 0.000 0.240 467 I C 2.791 178.929 176.117 0.034 0.000 1.078 467 I CA 0.832 62.160 61.300 0.046 0.000 1.343 467 I CB -1.166 36.863 38.000 0.049 0.000 1.046 467 I HN 0.099 nan 8.210 nan 0.000 0.405 468 R N 1.212 121.727 120.500 0.024 0.000 2.115 468 R HA -0.266 4.074 4.340 -0.000 0.000 0.239 468 R C 2.393 178.706 176.300 0.022 0.000 1.133 468 R CA 2.371 58.481 56.100 0.018 0.000 0.935 468 R CB -0.269 30.037 30.300 0.011 0.000 0.853 468 R HN 0.209 nan 8.270 nan 0.000 0.433 469 K N -0.020 120.394 120.400 0.025 0.000 2.074 469 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 469 K C 2.093 178.712 176.600 0.032 0.000 1.048 469 K CA 1.702 58.005 56.287 0.027 0.000 0.926 469 K CB -0.213 32.304 32.500 0.029 0.000 0.713 469 K HN 0.174 nan 8.250 nan 0.000 0.444 470 L N 0.912 122.158 121.223 0.038 0.000 2.072 470 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 470 L C 1.781 178.676 176.870 0.042 0.000 1.079 470 L CA 1.462 56.328 54.840 0.044 0.000 0.752 470 L CB -0.283 41.807 42.059 0.051 0.000 0.906 470 L HN 0.177 nan 8.230 nan 0.000 0.436 471 L N -0.544 120.702 121.223 0.038 0.000 2.093 471 L HA -0.153 4.186 4.340 -0.000 0.000 0.208 471 L C 2.553 179.439 176.870 0.027 0.000 1.085 471 L CA 1.297 56.157 54.840 0.034 0.000 0.755 471 L CB -0.688 41.388 42.059 0.027 0.000 0.904 471 L HN 0.340 nan 8.230 nan 0.000 0.435 472 E N -0.405 119.809 120.200 0.023 0.000 2.106 472 E HA -0.182 4.167 4.350 -0.000 0.000 0.192 472 E C 2.352 178.965 176.600 0.022 0.000 0.984 472 E CA 1.239 57.651 56.400 0.019 0.000 0.806 472 E CB -0.121 29.589 29.700 0.016 0.000 0.750 472 E HN 0.308 nan 8.360 nan 0.000 0.458 473 S N 0.751 116.467 115.700 0.027 0.000 2.402 473 S HA -0.198 4.272 4.470 -0.000 0.000 0.233 473 S C 1.791 176.409 174.600 0.029 0.000 1.030 473 S CA 1.291 59.509 58.200 0.029 0.000 1.003 473 S CB -0.054 63.167 63.200 0.036 0.000 0.813 473 S HN 0.117 nan 8.310 nan 0.000 0.477 474 Q N -0.613 119.206 119.800 0.031 0.000 2.282 474 Q HA 0.332 4.672 4.340 -0.000 0.000 0.206 474 Q C 0.877 176.890 176.000 0.022 0.000 0.878 474 Q CA 0.497 56.318 55.803 0.030 0.000 0.944 474 Q CB 0.586 29.346 28.738 0.037 0.000 1.100 474 Q HN 0.477 nan 8.270 nan 0.000 0.509 475 G N 0.979 109.790 108.800 0.019 0.000 2.142 475 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.225 475 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.225 475 G C -0.257 174.650 174.900 0.012 0.000 1.015 475 G CA -0.249 44.860 45.100 0.014 0.000 0.716 475 G HN 0.061 nan 8.290 nan 0.000 0.508 476 R N 0.288 120.797 120.500 0.014 0.000 3.050 476 R HA 0.299 4.638 4.340 -0.000 0.000 0.275 476 R C 1.327 177.631 176.300 0.008 0.000 1.373 476 R CA -0.448 55.658 56.100 0.011 0.000 1.612 476 R CB 0.355 30.663 30.300 0.014 0.000 1.218 476 R HN 0.506 nan 8.270 nan 0.000 0.621 477 K N 0.295 120.699 120.400 0.005 0.000 2.366 477 K HA -0.070 4.250 4.320 -0.000 0.000 0.198 477 K C 1.025 177.624 176.600 -0.001 0.000 1.044 477 K CA 0.955 57.244 56.287 0.003 0.000 0.973 477 K CB 0.418 32.920 32.500 0.003 0.000 0.767 477 K HN 0.375 nan 8.250 nan 0.000 0.475 478 D N 1.364 121.763 120.400 -0.002 0.000 2.269 478 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 478 D C 0.783 177.077 176.300 -0.010 0.000 0.963 478 D CA 0.343 54.340 54.000 -0.006 0.000 0.864 478 D CB -0.119 40.678 40.800 -0.005 0.000 0.936 478 D HN 0.138 nan 8.370 nan 0.000 0.505 479 I N 1.511 122.076 120.570 -0.009 0.000 2.517 479 I HA -0.015 4.155 4.170 -0.000 0.000 0.285 479 I C 0.808 176.913 176.117 -0.020 0.000 1.106 479 I CA -0.158 61.133 61.300 -0.015 0.000 1.402 479 I CB 0.552 38.546 38.000 -0.009 0.000 1.399 479 I HN -0.142 nan 8.210 nan 0.000 0.535 480 K N 6.607 126.989 120.400 -0.030 0.000 2.174 480 K HA 0.453 4.773 4.320 -0.000 0.000 0.275 480 K C -1.224 175.347 176.600 -0.049 0.000 1.015 480 K CA -0.572 55.693 56.287 -0.036 0.000 0.933 480 K CB 0.731 33.207 32.500 -0.040 0.000 1.025 480 K HN 0.330 nan 8.250 nan 0.000 0.463 481 L N 5.291 126.485 121.223 -0.049 0.000 2.346 481 L HA 0.488 4.827 4.340 -0.000 0.000 0.274 481 L C -0.304 176.519 176.870 -0.079 0.000 1.007 481 L CA -0.661 54.141 54.840 -0.064 0.000 0.818 481 L CB 1.399 43.432 42.059 -0.043 0.000 1.284 481 L HN 0.643 nan 8.230 nan 0.000 0.424 482 I N 2.402 122.900 120.570 -0.119 0.000 2.330 482 I HA 0.229 4.398 4.170 -0.000 0.000 0.289 482 I C -0.135 175.906 176.117 -0.127 0.000 1.001 482 I CA -0.537 60.686 61.300 -0.127 0.000 1.193 482 I CB 1.615 39.512 38.000 -0.171 0.000 1.345 482 I HN 0.462 nan 8.210 nan 0.000 0.461 483 D N 6.834 127.186 120.400 -0.079 0.000 2.317 483 D HA 0.179 4.819 4.640 -0.000 0.000 0.252 483 D C 0.805 177.074 176.300 -0.051 0.000 1.174 483 D CA -0.112 53.856 54.000 -0.054 0.000 0.866 483 D CB 1.350 42.130 40.800 -0.033 0.000 1.127 483 D HN 0.344 nan 8.370 nan 0.000 0.467 484 I N 2.777 123.328 120.570 -0.032 0.000 3.030 484 I HA 0.005 4.174 4.170 -0.000 0.000 0.270 484 I C 1.282 177.400 176.117 0.001 0.000 1.211 484 I CA 0.324 61.628 61.300 0.007 0.000 1.479 484 I CB -1.242 36.828 38.000 0.116 0.000 1.105 484 I HN 0.616 nan 8.210 nan 0.000 0.447 485 A N 1.835 124.639 122.820 -0.026 0.000 2.312 485 A HA -0.215 4.105 4.320 -0.000 0.000 0.286 485 A C 0.252 177.809 177.584 -0.045 0.000 1.425 485 A CA 0.420 52.431 52.037 -0.043 0.000 0.748 485 A CB -2.340 16.643 19.000 -0.029 0.000 1.126 485 A HN 0.380 nan 8.150 nan 0.000 0.368 486 L N 1.011 122.187 121.223 -0.079 0.000 2.418 486 L HA 0.468 4.807 4.340 -0.000 0.000 0.265 486 L C 1.400 178.223 176.870 -0.077 0.000 1.143 486 L CA 0.355 55.154 54.840 -0.069 0.000 0.809 486 L CB 1.364 43.363 42.059 -0.100 0.000 1.124 486 L HN 0.822 nan 8.230 nan 0.000 0.456 487 S N 0.973 116.647 115.700 -0.044 0.000 2.573 487 S HA 0.026 4.495 4.470 -0.000 0.000 0.277 487 S C 1.024 175.599 174.600 -0.042 0.000 1.346 487 S CA -0.460 57.719 58.200 -0.035 0.000 1.034 487 S CB 1.022 64.213 63.200 -0.016 0.000 0.879 487 S HN 0.629 nan 8.310 nan 0.000 0.528 488 K N 1.365 121.747 120.400 -0.030 0.000 2.059 488 K HA -0.156 4.164 4.320 -0.000 0.000 0.212 488 K C 2.370 178.971 176.600 0.001 0.000 1.050 488 K CA 2.562 58.839 56.287 -0.016 0.000 0.927 488 K CB -1.315 31.188 32.500 0.004 0.000 0.714 488 K HN 0.893 nan 8.250 nan 0.000 0.447 489 T N -0.739 113.816 114.554 0.002 0.000 2.812 489 T HA -0.085 4.264 4.350 -0.000 0.000 0.264 489 T C 1.353 176.055 174.700 0.004 0.000 1.042 489 T CA 1.533 63.636 62.100 0.006 0.000 1.140 489 T CB -0.362 68.507 68.868 0.001 0.000 0.870 489 T HN 0.195 nan 8.240 nan 0.000 0.445 490 D N 0.740 121.141 120.400 0.001 0.000 2.178 490 D HA -0.007 4.633 4.640 -0.000 0.000 0.202 490 D C 2.399 178.721 176.300 0.036 0.000 0.974 490 D CA 0.815 54.823 54.000 0.012 0.000 0.841 490 D CB -0.646 40.164 40.800 0.015 0.000 0.953 490 D HN 0.369 nan 8.370 nan 0.000 0.478 491 S N -0.203 115.504 115.700 0.013 0.000 2.374 491 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 491 S C 1.367 176.076 174.600 0.181 0.000 1.037 491 S CA 1.113 59.332 58.200 0.033 0.000 1.024 491 S CB 0.087 63.242 63.200 -0.075 0.000 0.861 491 S HN 0.251 nan 8.310 nan 0.000 0.456 492 R N 0.142 120.712 120.500 0.118 0.000 2.652 492 R HA 0.229 4.569 4.340 -0.000 0.000 0.372 492 R C 1.502 177.833 176.300 0.051 0.000 1.104 492 R CA -0.161 56.011 56.100 0.121 0.000 1.072 492 R CB 0.238 30.612 30.300 0.124 0.000 1.367 492 R HN 0.283 nan 8.270 nan 0.000 0.577 493 K N 0.617 121.017 120.400 -0.000 0.000 2.063 493 K HA -0.152 4.167 4.320 -0.000 0.000 0.208 493 K C 0.463 176.883 176.600 -0.300 0.000 1.048 493 K CA 1.608 57.785 56.287 -0.184 0.000 0.928 493 K CB 0.066 32.390 32.500 -0.293 0.000 0.713 493 K HN 0.202 nan 8.250 nan 0.000 0.442 494 Y N 1.012 121.325 120.300 0.021 0.000 2.470 494 Y HA 0.115 4.665 4.550 -0.000 0.000 0.284 494 Y C 1.798 177.701 175.900 0.006 0.000 1.188 494 Y CA 0.040 58.143 58.100 0.005 0.000 1.269 494 Y CB 0.143 38.593 38.460 -0.016 0.000 1.094 494 Y HN 0.292 nan 8.280 nan 0.000 0.518 495 E N 0.809 121.082 120.200 0.123 0.000 2.070 495 E HA -0.262 4.087 4.350 -0.000 0.000 0.197 495 E C 1.598 178.340 176.600 0.236 0.000 1.004 495 E CA 1.703 58.198 56.400 0.158 0.000 0.805 495 E CB 0.050 29.858 29.700 0.181 0.000 0.744 495 E HN 0.379 nan 8.360 nan 0.000 0.451 496 N N 0.147 118.945 118.700 0.164 0.000 2.142 496 N HA -0.109 4.630 4.740 -0.000 0.000 0.186 496 N C 1.652 177.248 175.510 0.143 0.000 1.023 496 N CA 1.261 54.406 53.050 0.159 0.000 0.852 496 N CB -0.401 38.130 38.487 0.075 0.000 0.998 496 N HN 0.280 nan 8.380 nan 0.000 0.424 497 A N 0.557 123.447 122.820 0.117 0.000 1.933 497 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 497 A C 2.498 180.108 177.584 0.043 0.000 1.175 497 A CA 1.240 53.334 52.037 0.095 0.000 0.628 497 A CB -0.628 18.485 19.000 0.188 0.000 0.814 497 A HN 0.115 nan 8.150 nan 0.000 0.444 498 V N -2.474 117.466 119.914 0.044 0.000 2.407 498 V HA -0.228 3.891 4.120 -0.000 0.000 0.245 498 V C 2.212 178.256 176.094 -0.082 0.000 1.041 498 V CA 1.545 63.819 62.300 -0.044 0.000 1.040 498 V CB -0.895 30.826 31.823 -0.171 0.000 0.671 498 V HN 0.798 nan 8.190 nan 0.000 0.455 499 W N 0.307 121.588 121.300 -0.032 0.000 2.388 499 W HA -0.128 4.531 4.660 -0.000 0.000 0.294 499 W C 2.318 178.796 176.519 -0.068 0.000 1.212 499 W CA 1.159 58.474 57.345 -0.049 0.000 1.271 499 W CB -0.339 29.090 29.460 -0.051 0.000 1.126 499 W HN 0.253 nan 8.180 nan 0.000 0.535 500 D N -0.458 120.032 120.400 0.150 0.000 2.133 500 D HA -0.261 4.378 4.640 -0.000 0.000 0.195 500 D C 1.904 178.165 176.300 -0.065 0.000 0.997 500 D CA 1.671 55.694 54.000 0.038 0.000 0.840 500 D CB -0.541 40.266 40.800 0.012 0.000 0.947 500 D HN 0.301 nan 8.370 nan 0.000 0.452 501 Q N -1.376 118.302 119.800 -0.202 0.000 2.250 501 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 501 Q C 0.575 176.245 176.000 -0.551 0.000 0.941 501 Q CA 0.603 56.123 55.803 -0.472 0.000 0.872 501 Q CB 0.292 28.547 28.738 -0.805 0.000 0.965 501 Q HN 0.314 nan 8.270 nan 0.000 0.480 502 Y N -0.569 119.664 120.300 -0.112 0.000 2.696 502 Y HA 0.208 4.758 4.550 -0.000 0.000 0.260 502 Y C 1.231 177.048 175.900 -0.139 0.000 1.165 502 Y CA -0.315 57.678 58.100 -0.179 0.000 1.189 502 Y CB 0.470 38.726 38.460 -0.341 0.000 1.180 502 Y HN 0.001 nan 8.280 nan 0.000 0.538 503 K N 1.311 121.772 120.400 0.101 0.000 2.074 503 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 503 K C 1.472 178.087 176.600 0.024 0.000 1.048 503 K CA 2.211 58.612 56.287 0.190 0.000 0.926 503 K CB -0.223 32.398 32.500 0.201 0.000 0.713 503 K HN 0.226 nan 8.250 nan 0.000 0.444 504 D N -0.521 119.889 120.400 0.015 0.000 2.350 504 D HA -0.050 4.590 4.640 -0.000 0.000 0.216 504 D C 1.330 177.635 176.300 0.009 0.000 0.968 504 D CA 0.594 54.593 54.000 -0.001 0.000 0.894 504 D CB 0.096 40.976 40.800 0.133 0.000 0.909 504 D HN 0.331 nan 8.370 nan 0.000 0.520 505 L N -0.970 120.258 121.223 0.009 0.000 2.492 505 L HA 0.134 4.474 4.340 -0.000 0.000 0.223 505 L C 0.526 177.465 176.870 0.116 0.000 1.132 505 L CA -0.095 54.775 54.840 0.050 0.000 0.850 505 L CB 0.248 42.233 42.059 -0.123 0.000 0.966 505 L HN 0.160 nan 8.230 nan 0.000 0.454 506 C N -0.532 118.798 119.300 0.049 0.000 2.607 506 C HA 0.356 4.816 4.460 -0.000 0.000 0.350 506 C C 0.762 175.839 174.990 0.145 0.000 1.101 506 C CA -0.575 58.617 59.018 0.289 0.000 1.282 506 C CB 0.749 28.748 27.740 0.433 0.000 1.825 506 C HN 0.322 nan 8.230 nan 0.000 0.460 507 H N 4.301 123.570 119.070 0.330 0.000 2.505 507 H HA 0.089 4.644 4.556 -0.000 0.000 0.286 507 H C 1.099 176.503 175.328 0.127 0.000 1.072 507 H CA 0.060 56.228 56.048 0.201 0.000 1.141 507 H CB 0.645 30.470 29.762 0.106 0.000 1.550 507 H HN 0.635 nan 8.280 nan 0.000 0.547 508 M N 0.294 120.020 119.600 0.210 0.000 2.501 508 M HA 0.016 4.495 4.480 -0.000 0.000 0.261 508 M C 0.347 176.528 176.300 -0.198 0.000 1.129 508 M CA 0.742 55.983 55.300 -0.098 0.000 1.126 508 M CB 0.214 32.616 32.600 -0.330 0.000 1.359 508 M HN 0.104 nan 8.290 nan 0.000 0.471 509 H N 0.384 119.541 119.070 0.145 0.000 2.820 509 H HA 0.290 4.846 4.556 -0.000 0.000 0.278 509 H C 0.815 176.156 175.328 0.022 0.000 1.142 509 H CA 0.652 56.760 56.048 0.099 0.000 1.346 509 H CB 0.185 30.027 29.762 0.134 0.000 1.438 509 H HN 0.327 nan 8.280 nan 0.000 0.473 510 T N -0.414 114.181 114.554 0.069 0.000 2.964 510 T HA 0.145 4.494 4.350 -0.000 0.000 0.249 510 T C 1.302 176.002 174.700 -0.000 0.000 1.000 510 T CA 0.043 62.157 62.100 0.023 0.000 0.992 510 T CB 0.383 69.255 68.868 0.007 0.000 1.087 510 T HN 0.454 nan 8.240 nan 0.000 0.489 511 G N 2.401 111.206 108.800 0.008 0.000 2.539 511 G HA2 0.499 4.458 3.960 -0.000 0.000 0.258 511 G HA3 0.499 4.458 3.960 -0.000 0.000 0.258 511 G C 0.011 174.878 174.900 -0.055 0.000 1.202 511 G CA -0.250 44.837 45.100 -0.021 0.000 0.851 511 G HN 0.775 nan 8.290 nan 0.000 0.556 512 V N -0.233 119.634 119.914 -0.077 0.000 2.614 512 V HA 0.606 4.726 4.120 -0.000 0.000 0.291 512 V C -0.000 176.008 176.094 -0.143 0.000 1.049 512 V CA -0.690 61.546 62.300 -0.106 0.000 1.038 512 V CB 1.060 32.823 31.823 -0.101 0.000 0.980 512 V HN 0.429 nan 8.190 nan 0.000 0.481 513 V N 5.605 125.420 119.914 -0.166 0.000 2.555 513 V HA 0.721 4.841 4.120 -0.000 0.000 0.302 513 V C 0.170 176.134 176.094 -0.216 0.000 1.038 513 V CA -0.074 62.096 62.300 -0.216 0.000 0.887 513 V CB 1.665 33.355 31.823 -0.221 0.000 0.991 513 V HN 1.150 nan 8.190 nan 0.000 0.434 514 V N 1.887 121.635 119.914 -0.277 0.000 3.113 514 V HA 0.935 5.054 4.120 -0.000 0.000 0.316 514 V C -0.690 175.307 176.094 -0.161 0.000 1.125 514 V CA -0.712 61.456 62.300 -0.220 0.000 1.026 514 V CB 2.044 33.722 31.823 -0.242 0.000 1.080 514 V HN 1.052 nan 8.190 nan 0.000 0.444 515 E N 0.729 120.890 120.200 -0.065 0.000 2.367 515 E HA 0.615 4.965 4.350 -0.000 0.000 0.273 515 E C -1.277 175.348 176.600 0.042 0.000 0.903 515 E CA -1.158 55.262 56.400 0.034 0.000 0.764 515 E CB 2.697 32.422 29.700 0.042 0.000 1.252 515 E HN 0.691 nan 8.360 nan 0.000 0.446 523 E N 1.895 122.071 120.200 -0.039 0.000 2.266 523 E HA 0.183 4.533 4.350 -0.000 0.000 0.268 523 E C -1.035 175.527 176.600 -0.064 0.000 0.879 523 E CA -0.979 55.395 56.400 -0.044 0.000 0.762 523 E CB 2.489 32.171 29.700 -0.029 0.000 1.199 523 E HN 0.531 nan 8.360 nan 0.000 0.422 524 E N 2.344 122.501 120.200 -0.071 0.000 2.392 524 E HA 0.248 4.598 4.350 -0.000 0.000 0.264 524 E C 0.115 176.664 176.600 -0.085 0.000 1.024 524 E CA 0.179 56.525 56.400 -0.090 0.000 0.903 524 E CB 0.656 30.303 29.700 -0.088 0.000 0.963 524 E HN 0.350 nan 8.360 nan 0.000 0.432 525 I N -2.107 118.399 120.570 -0.106 0.000 3.174 525 I HA 0.418 4.588 4.170 -0.000 0.000 0.313 525 I C -0.368 175.666 176.117 -0.138 0.000 1.155 525 I CA -1.130 60.111 61.300 -0.098 0.000 0.977 525 I CB 2.163 40.116 38.000 -0.077 0.000 1.248 525 I HN 0.109 nan 8.210 nan 0.000 0.453 526 T N 3.866 118.346 114.554 -0.123 0.000 2.814 526 T HA 0.310 4.660 4.350 -0.000 0.000 0.297 526 T C -2.340 172.253 174.700 -0.179 0.000 0.956 526 T CA -0.486 61.501 62.100 -0.189 0.000 1.123 526 T CB 0.201 68.970 68.868 -0.165 0.000 0.902 526 T HN 0.442 nan 8.240 nan 0.000 0.528 527 P HA 0.080 nan 4.420 nan 0.000 0.268 527 P C -0.416 176.888 177.300 0.007 0.000 1.208 527 P CA -0.243 62.760 63.100 -0.163 0.000 0.777 527 P CB 0.352 32.013 31.700 -0.066 0.000 0.875 528 H N 0.121 119.220 119.070 0.049 0.000 2.604 528 H HA 0.270 4.825 4.556 -0.000 0.000 0.306 528 H C -0.014 175.281 175.328 -0.056 0.000 1.075 528 H CA -0.705 55.378 56.048 0.059 0.000 1.357 528 H CB 0.238 30.062 29.762 0.103 0.000 1.426 528 H HN 0.390 nan 8.280 nan 0.000 0.470 529 C N 3.085 122.370 119.300 -0.025 0.000 2.351 529 C HA 0.640 5.100 4.460 -0.000 0.000 0.326 529 C C 1.874 176.797 174.990 -0.113 0.000 1.272 529 C CA -0.068 58.851 59.018 -0.165 0.000 1.650 529 C CB -0.521 27.051 27.740 -0.279 0.000 2.257 529 C HN 0.927 nan 8.230 nan 0.000 0.505 530 A N 4.047 126.865 122.820 -0.003 0.000 1.917 530 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 530 A C 1.860 179.276 177.584 -0.280 0.000 1.182 530 A CA 2.242 54.221 52.037 -0.098 0.000 0.633 530 A CB -0.623 18.360 19.000 -0.028 0.000 0.819 530 A HN 1.103 nan 8.150 nan 0.000 0.448 531 L N -0.868 120.098 121.223 -0.428 0.000 2.023 531 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 531 L C 2.411 178.857 176.870 -0.708 0.000 1.073 531 L CA 2.010 56.475 54.840 -0.624 0.000 0.745 531 L CB -0.548 40.950 42.059 -0.935 0.000 0.900 531 L HN 0.333 nan 8.230 nan 0.000 0.435 532 M N -0.782 118.369 119.600 -0.748 0.000 2.159 532 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 532 M C 1.897 177.727 176.300 -0.783 0.000 1.063 532 M CA 1.313 56.089 55.300 -0.873 0.000 1.110 532 M CB -1.447 30.396 32.600 -1.261 0.000 1.374 532 M HN 0.244 nan 8.290 nan 0.000 0.411 533 D N 0.538 120.490 120.400 -0.746 0.000 2.104 533 D HA -0.135 4.504 4.640 -0.000 0.000 0.194 533 D C 2.217 177.653 176.300 -1.439 0.000 0.994 533 D CA 1.255 54.543 54.000 -1.187 0.000 0.830 533 D CB -0.499 39.727 40.800 -0.956 0.000 0.959 533 D HN 0.350 nan 8.370 nan 0.000 0.452 534 C N 0.509 119.318 119.300 -0.819 0.000 2.398 534 C HA -0.144 4.315 4.460 -0.000 0.000 0.276 534 C C 2.863 177.416 174.990 -0.728 0.000 1.222 534 C CA 0.254 58.927 59.018 -0.574 0.000 1.746 534 C CB -1.076 26.546 27.740 -0.196 0.000 2.039 534 C HN 0.347 nan 8.230 nan 0.000 0.470 535 I N 1.637 121.755 120.570 -0.754 0.000 2.179 535 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 535 I C 2.646 178.467 176.117 -0.493 0.000 1.088 535 I CA 2.129 63.015 61.300 -0.689 0.000 1.357 535 I CB -0.540 36.955 38.000 -0.842 0.000 1.051 535 I HN 0.464 nan 8.210 nan 0.000 0.409 536 M N -0.466 118.821 119.600 -0.521 0.000 2.319 536 M HA -0.091 4.388 4.480 -0.000 0.000 0.265 536 M C 1.859 178.071 176.300 -0.147 0.000 1.068 536 M CA 1.787 56.921 55.300 -0.277 0.000 1.118 536 M CB -0.525 31.955 32.600 -0.201 0.000 1.395 536 M HN -0.031 nan 8.290 nan 0.000 0.435 537 F N 1.692 121.365 119.950 -0.462 0.000 2.163 537 F HA -0.022 4.504 4.527 -0.000 0.000 0.297 537 F C 2.184 177.581 175.800 -0.672 0.000 1.094 537 F CA 1.201 58.867 58.000 -0.557 0.000 1.290 537 F CB -1.444 37.084 39.000 -0.787 0.000 1.017 537 F HN 0.311 nan 8.300 nan 0.000 0.483 538 D N 0.126 120.050 120.400 -0.794 0.000 2.104 538 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 538 D C 2.263 178.491 176.300 -0.120 0.000 0.994 538 D CA 1.486 55.246 54.000 -0.399 0.000 0.830 538 D CB -0.142 40.452 40.800 -0.344 0.000 0.959 538 D HN 0.101 nan 8.370 nan 0.000 0.452 539 A N 0.441 123.145 122.820 -0.194 0.000 1.902 539 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 539 A C 2.380 179.839 177.584 -0.208 0.000 1.181 539 A CA 2.246 54.100 52.037 -0.305 0.000 0.623 539 A CB -1.144 17.554 19.000 -0.503 0.000 0.818 539 A HN 0.342 nan 8.150 nan 0.000 0.443 540 A N -0.616 122.237 122.820 0.056 0.000 1.883 540 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 540 A C 2.240 179.915 177.584 0.153 0.000 1.186 540 A CA 1.924 54.099 52.037 0.230 0.000 0.624 540 A CB -1.007 18.119 19.000 0.210 0.000 0.822 540 A HN 0.423 nan 8.150 nan 0.000 0.444 541 V N -0.210 119.783 119.914 0.132 0.000 2.427 541 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 541 V C 2.606 178.762 176.094 0.104 0.000 1.051 541 V CA 2.277 64.669 62.300 0.152 0.000 1.048 541 V CB -0.474 31.510 31.823 0.268 0.000 0.666 541 V HN 0.552 nan 8.190 nan 0.000 0.456 542 S N -0.595 115.140 115.700 0.058 0.000 2.496 542 S HA 0.192 4.662 4.470 -0.000 0.000 0.224 542 S C 1.558 176.161 174.600 0.006 0.000 0.996 542 S CA 0.775 58.988 58.200 0.022 0.000 0.927 542 S CB 0.306 63.499 63.200 -0.013 0.000 0.774 542 S HN 0.926 nan 8.310 nan 0.000 0.524 543 G N 0.842 109.655 108.800 0.022 0.000 2.160 543 G HA2 0.102 4.062 3.960 -0.000 0.000 0.244 543 G HA3 0.102 4.062 3.960 -0.000 0.000 0.244 543 G C 0.259 175.170 174.900 0.017 0.000 1.022 543 G CA -0.029 45.117 45.100 0.076 0.000 0.741 543 G HN 1.102 nan 8.290 nan 0.000 0.508 544 G N -1.846 106.791 108.800 -0.272 0.000 2.339 544 G HA2 0.546 4.505 3.960 -0.000 0.000 0.302 544 G HA3 0.546 4.505 3.960 -0.000 0.000 0.302 544 G C -1.504 173.089 174.900 -0.512 0.000 1.425 544 G CA -0.099 44.746 45.100 -0.425 0.000 0.899 544 G HN 1.522 nan 8.290 nan 0.000 0.619 545 L N 0.947 121.930 121.223 -0.400 0.000 2.349 545 L HA 0.632 4.971 4.340 -0.000 0.000 0.278 545 L C -0.391 176.431 176.870 -0.079 0.000 0.996 545 L CA -0.974 53.730 54.840 -0.228 0.000 0.825 545 L CB 1.472 43.411 42.059 -0.200 0.000 1.243 545 L HN 0.531 nan 8.230 nan 0.000 0.412 546 N N 2.409 121.092 118.700 -0.028 0.000 2.508 546 N HA 0.158 4.898 4.740 -0.000 0.000 0.264 546 N C -0.525 175.001 175.510 0.027 0.000 1.216 546 N CA -0.144 52.911 53.050 0.009 0.000 0.943 546 N CB 0.887 39.393 38.487 0.031 0.000 1.113 546 N HN 0.577 nan 8.380 nan 0.000 0.447 547 T N 0.889 115.449 114.554 0.010 0.000 2.775 547 T HA 0.197 4.547 4.350 -0.000 0.000 0.287 547 T C 0.317 175.042 174.700 0.042 0.000 0.909 547 T CA 0.060 62.157 62.100 -0.005 0.000 1.081 547 T CB -0.178 68.679 68.868 -0.018 0.000 0.891 547 T HN 0.387 nan 8.240 nan 0.000 0.544 548 S N 2.909 118.667 115.700 0.098 0.000 2.572 548 S HA 0.486 4.956 4.470 -0.000 0.000 0.274 548 S C -0.288 174.447 174.600 0.225 0.000 1.150 548 S CA -0.951 57.338 58.200 0.149 0.000 0.944 548 S CB 0.956 64.251 63.200 0.158 0.000 1.071 548 S HN 0.577 nan 8.310 nan 0.000 0.479 549 V N 3.577 123.594 119.914 0.171 0.000 2.521 549 V HA 0.513 4.632 4.120 -0.000 0.000 0.286 549 V C -0.195 176.016 176.094 0.196 0.000 1.034 549 V CA -0.447 61.968 62.300 0.191 0.000 1.045 549 V CB -0.201 31.707 31.823 0.141 0.000 0.974 549 V HN 0.665 nan 8.190 nan 0.000 0.480 550 L N 5.590 126.941 121.223 0.213 0.000 2.399 550 L HA 0.629 4.969 4.340 -0.000 0.000 0.265 550 L C 0.615 177.649 176.870 0.274 0.000 1.089 550 L CA -0.210 54.765 54.840 0.224 0.000 0.802 550 L CB 1.232 43.346 42.059 0.092 0.000 1.180 550 L HN 0.713 nan 8.230 nan 0.000 0.454 551 R N 1.100 121.751 120.500 0.251 0.000 2.439 551 R HA 0.711 5.051 4.340 -0.000 0.000 0.310 551 R C -0.832 175.334 176.300 -0.224 0.000 0.955 551 R CA -0.776 55.376 56.100 0.087 0.000 0.853 551 R CB 1.519 31.855 30.300 0.059 0.000 1.171 551 R HN 0.697 nan 8.270 nan 0.000 0.449 552 A N 3.021 125.615 122.820 -0.377 0.000 2.404 552 A HA 0.189 4.509 4.320 -0.000 0.000 0.273 552 A C 1.211 178.567 177.584 -0.380 0.000 1.144 552 A CA -0.516 51.033 52.037 -0.814 0.000 0.806 552 A CB 0.460 19.237 19.000 -0.371 0.000 1.080 552 A HN 0.649 nan 8.150 nan 0.000 0.509 553 V N 3.843 123.537 119.914 -0.366 0.000 2.358 553 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 553 V C 1.185 177.211 176.094 -0.113 0.000 1.047 553 V CA 1.235 63.436 62.300 -0.164 0.000 1.035 553 V CB -0.759 30.996 31.823 -0.113 0.000 0.658 553 V HN 0.698 nan 8.190 nan 0.000 0.452 554 L N 1.431 122.585 121.223 -0.114 0.000 2.349 554 L HA 0.286 4.626 4.340 -0.000 0.000 0.275 554 L C -2.236 174.620 176.870 -0.023 0.000 1.115 554 L CA -1.719 53.081 54.840 -0.067 0.000 0.820 554 L CB 0.310 42.337 42.059 -0.053 0.000 1.135 554 L HN 0.109 nan 8.230 nan 0.000 0.445 555 P HA -0.001 nan 4.420 nan 0.000 0.267 555 P C -0.394 176.961 177.300 0.092 0.000 1.205 555 P CA -0.270 62.857 63.100 0.044 0.000 0.765 555 P CB 0.344 32.066 31.700 0.035 0.000 0.828 556 R N 3.301 123.884 120.500 0.138 0.000 4.576 556 R HA 0.014 4.353 4.340 -0.000 0.000 0.185 556 R C -0.286 176.155 176.300 0.234 0.000 1.837 556 R CA 0.684 56.916 56.100 0.220 0.000 1.520 556 R CB -1.259 29.177 30.300 0.225 0.000 1.403 556 R HN 0.546 nan 8.270 nan 0.000 0.831 557 D N -0.148 120.380 120.400 0.213 0.000 2.075 557 D HA -0.086 4.554 4.640 -0.000 0.000 0.680 557 D C 0.881 177.255 176.300 0.123 0.000 0.749 557 D CA -0.068 54.039 54.000 0.178 0.000 1.219 557 D CB -0.195 40.700 40.800 0.158 0.000 1.394 557 D HN 0.342 nan 8.370 nan 0.000 0.388 558 M N 0.153 119.805 119.600 0.086 0.000 2.491 558 M HA 0.260 4.739 4.480 -0.000 0.000 0.259 558 M C 0.599 176.909 176.300 0.016 0.000 1.163 558 M CA 0.606 55.920 55.300 0.022 0.000 1.109 558 M CB 0.619 33.200 32.600 -0.031 0.000 1.353 558 M HN -0.030 nan 8.290 nan 0.000 0.500 559 V N 0.688 120.637 119.914 0.059 0.000 2.453 559 V HA -0.037 4.083 4.120 -0.000 0.000 0.247 559 V C 0.365 176.341 176.094 -0.197 0.000 1.048 559 V CA 1.213 63.493 62.300 -0.033 0.000 1.049 559 V CB -0.495 31.347 31.823 0.031 0.000 0.672 559 V HN 0.269 nan 8.190 nan 0.000 0.457 560 F N 0.474 120.493 119.950 0.115 0.000 2.469 560 F HA 0.541 5.068 4.527 -0.000 0.000 0.332 560 F C 0.715 176.557 175.800 0.069 0.000 1.103 560 F CA -1.070 56.987 58.000 0.095 0.000 0.979 560 F CB 0.972 40.023 39.000 0.085 0.000 1.137 560 F HN -0.019 nan 8.300 nan 0.000 0.463 561 R N 0.000 120.630 120.500 0.216 0.000 2.786 561 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 561 R CA 0.000 56.182 56.100 0.137 0.000 0.921 561 R CB 0.000 30.356 30.300 0.094 0.000 0.687 561 R HN 0.000 nan 8.270 nan 0.000 0.535