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 3mk7_1_D DATA FIRST_RESID 8 DATA SEQUENCE AYSYKVVRQF AIMTVVWGIV GMGLGVFIAA QLAWPFLNFD LPWTSFGRLR DATA SEQUENCE PLHTNAVIFA FGGCALFATS YYSVQRTCQT TLFAPKLAAF TFWGWQLVIL DATA SEQUENCE LAAISLPLGF TSSKEYAELE WPIDILITIV WVAYAVVFFG TLAKRKVKHI DATA SEQUENCE YVGNWFFGAF ILTVAILHVV NNLEIPVTAM KSYSLYAGAT DAMVQWWYGH DATA SEQUENCE NAVGFFLTAG FLGIMYYFVP KQAERPVYSY RLSIVHFWAL ITVYIWAGPH DATA SEQUENCE HLHYTALPDW AQSLGMVMSL ILLAPSWGGM INGMMTLSGA WHKLRSDPIL DATA SEQUENCE RFLVVSLAFY GMSTFEGPMM AIKTVNALSH YTDWTIGHVH AGALGWVAMV DATA SEQUENCE SIGALYHLVP KVFGREQMHS IGLINTHFWL ATIGTVLYIA SMWVNGIAQG DATA SEQUENCE LMWRAINDDG TLTYSFVESL EASHPGFVVR MIGGAIFFAG MLVMAYNTWR DATA SEQUENCE TVQAAKPAEY DAA 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.398 177.584 -0.310 0.000 1.274 8 A CA 0.000 51.820 52.037 -0.362 0.000 0.836 8 A CB 0.000 18.845 19.000 -0.259 0.000 0.831 9 Y N 1.091 121.225 120.300 -0.277 0.000 2.805 9 Y HA 0.206 4.756 4.550 -0.000 0.000 0.337 9 Y C 1.570 177.358 175.900 -0.187 0.000 1.252 9 Y CA 1.097 59.056 58.100 -0.235 0.000 1.515 9 Y CB 0.666 38.957 38.460 -0.281 0.000 1.305 9 Y HN 0.649 nan 8.280 nan 0.000 0.600 10 S N 4.106 119.882 115.700 0.127 0.000 2.498 10 S HA 0.100 4.570 4.470 -0.000 0.000 0.314 10 S C 0.540 175.299 174.600 0.264 0.000 1.141 10 S CA -0.230 58.032 58.200 0.104 0.000 1.087 10 S CB -0.647 62.574 63.200 0.035 0.000 1.178 10 S HN 0.704 nan 8.310 nan 0.000 0.533 11 Y N 2.554 122.874 120.300 0.032 0.000 2.466 11 Y HA 0.032 4.582 4.550 -0.000 0.000 0.272 11 Y C 2.063 177.934 175.900 -0.048 0.000 1.169 11 Y CA -0.357 57.760 58.100 0.028 0.000 1.285 11 Y CB 0.316 38.800 38.460 0.040 0.000 1.078 11 Y HN 0.512 nan 8.280 nan 0.000 0.523 12 K N 0.968 121.419 120.400 0.084 0.000 2.009 12 K HA -0.158 4.162 4.320 -0.000 0.000 0.210 12 K C 1.621 178.158 176.600 -0.106 0.000 1.049 12 K CA 2.070 58.337 56.287 -0.034 0.000 0.929 12 K CB -0.762 31.725 32.500 -0.022 0.000 0.714 12 K HN 0.091 nan 8.250 nan 0.000 0.440 13 V N 0.263 120.153 119.914 -0.041 0.000 2.295 13 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 13 V C 2.387 178.517 176.094 0.060 0.000 1.049 13 V CA 1.775 64.058 62.300 -0.028 0.000 1.024 13 V CB -0.621 31.291 31.823 0.148 0.000 0.648 13 V HN 0.168 nan 8.190 nan 0.000 0.447 14 V N -0.009 119.986 119.914 0.135 0.000 2.380 14 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 14 V C 2.620 178.694 176.094 -0.034 0.000 1.063 14 V CA 2.453 64.819 62.300 0.109 0.000 1.055 14 V CB -0.885 30.955 31.823 0.028 0.000 0.657 14 V HN 0.453 nan 8.190 nan 0.000 0.455 15 R N -0.529 119.871 120.500 -0.168 0.000 2.073 15 R HA -0.204 4.136 4.340 -0.000 0.000 0.234 15 R C 2.524 178.698 176.300 -0.209 0.000 1.134 15 R CA 1.947 57.874 56.100 -0.288 0.000 0.952 15 R CB -0.202 29.797 30.300 -0.501 0.000 0.850 15 R HN 0.619 nan 8.270 nan 0.000 0.433 16 Q N -0.716 118.840 119.800 -0.405 0.000 1.993 16 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 16 Q C 1.966 177.678 176.000 -0.480 0.000 0.984 16 Q CA 2.058 57.414 55.803 -0.745 0.000 0.837 16 Q CB -0.220 27.435 28.738 -1.805 0.000 0.902 16 Q HN 0.322 nan 8.270 nan 0.000 0.423 17 F N 0.461 120.234 119.950 -0.295 0.000 2.161 17 F HA -0.264 4.263 4.527 -0.000 0.000 0.300 17 F C 2.350 178.178 175.800 0.047 0.000 1.089 17 F CA 0.636 58.654 58.000 0.030 0.000 1.282 17 F CB -0.255 38.766 39.000 0.035 0.000 1.010 17 F HN 0.136 nan 8.300 nan 0.000 0.485 18 A N 0.653 123.575 122.820 0.170 0.000 1.851 18 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 18 A C 2.151 179.804 177.584 0.114 0.000 1.195 18 A CA 1.683 53.784 52.037 0.108 0.000 0.622 18 A CB -0.884 18.169 19.000 0.089 0.000 0.831 18 A HN 0.230 nan 8.150 nan 0.000 0.444 19 I N -0.443 120.199 120.570 0.119 0.000 2.127 19 I HA -0.250 3.920 4.170 -0.000 0.000 0.241 19 I C 2.528 178.684 176.117 0.064 0.000 1.075 19 I CA 1.544 62.897 61.300 0.088 0.000 1.334 19 I CB -1.254 36.805 38.000 0.099 0.000 1.040 19 I HN 0.269 nan 8.210 nan 0.000 0.405 20 M N 0.100 119.766 119.600 0.111 0.000 2.279 20 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 20 M C 2.264 178.721 176.300 0.261 0.000 1.062 20 M CA 1.413 56.789 55.300 0.126 0.000 1.099 20 M CB -1.786 31.024 32.600 0.350 0.000 1.394 20 M HN 0.249 nan 8.290 nan 0.000 0.426 21 T N 0.621 115.361 114.554 0.311 0.000 2.708 21 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 21 T C 2.063 176.972 174.700 0.349 0.000 1.037 21 T CA 1.455 63.754 62.100 0.332 0.000 1.146 21 T CB -0.337 68.621 68.868 0.149 0.000 0.865 21 T HN 0.187 nan 8.240 nan 0.000 0.435 22 V N 1.212 121.235 119.914 0.182 0.000 2.358 22 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 22 V C 2.673 178.814 176.094 0.077 0.000 1.047 22 V CA 1.154 63.527 62.300 0.121 0.000 1.035 22 V CB -0.773 31.058 31.823 0.014 0.000 0.658 22 V HN 0.307 nan 8.190 nan 0.000 0.452 23 V N -0.968 118.932 119.914 -0.024 0.000 2.261 23 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 23 V C 2.155 178.175 176.094 -0.123 0.000 1.047 23 V CA 2.344 64.529 62.300 -0.192 0.000 1.015 23 V CB -0.821 30.732 31.823 -0.450 0.000 0.642 23 V HN 0.630 nan 8.190 nan 0.000 0.446 24 W N 0.351 121.779 121.300 0.213 0.000 2.388 24 W HA 0.030 4.690 4.660 -0.000 0.000 0.294 24 W C 2.528 179.202 176.519 0.257 0.000 1.212 24 W CA 0.705 58.197 57.345 0.244 0.000 1.271 24 W CB -0.890 28.748 29.460 0.296 0.000 1.126 24 W HN 0.306 nan 8.180 nan 0.000 0.535 25 G N 1.437 110.538 108.800 0.501 0.000 2.553 25 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 25 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 25 G C 1.321 176.291 174.900 0.118 0.000 1.195 25 G CA 1.710 46.880 45.100 0.115 0.000 0.779 25 G HN 0.059 nan 8.290 nan 0.000 0.577 26 I N 0.731 121.387 120.570 0.144 0.000 2.069 26 I HA -0.183 3.987 4.170 -0.000 0.000 0.237 26 I C 3.021 179.348 176.117 0.349 0.000 1.053 26 I CA 1.106 62.529 61.300 0.205 0.000 1.311 26 I CB -1.447 36.599 38.000 0.077 0.000 1.030 26 I HN 0.062 nan 8.210 nan 0.000 0.398 27 V N 1.469 121.551 119.914 0.281 0.000 2.282 27 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 27 V C 2.725 179.004 176.094 0.309 0.000 1.057 27 V CA 2.252 64.732 62.300 0.299 0.000 1.032 27 V CB -1.573 30.484 31.823 0.391 0.000 0.645 27 V HN 0.583 nan 8.190 nan 0.000 0.447 28 G N -0.780 108.223 108.800 0.339 0.000 2.433 28 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 28 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 28 G C 1.605 176.700 174.900 0.325 0.000 1.186 28 G CA 1.125 46.404 45.100 0.299 0.000 0.779 28 G HN 0.451 nan 8.290 nan 0.000 0.543 29 M N 0.905 120.676 119.600 0.286 0.000 2.319 29 M HA 0.102 4.582 4.480 -0.000 0.000 0.265 29 M C 2.776 179.187 176.300 0.185 0.000 1.068 29 M CA 0.987 56.473 55.300 0.309 0.000 1.118 29 M CB -0.242 32.578 32.600 0.367 0.000 1.395 29 M HN 0.282 nan 8.290 nan 0.000 0.435 30 G N 0.906 109.788 108.800 0.137 0.000 2.480 30 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 30 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 30 G C 1.490 176.334 174.900 -0.094 0.000 1.200 30 G CA 0.611 45.538 45.100 -0.289 0.000 0.782 30 G HN 0.321 nan 8.290 nan 0.000 0.554 31 L N 0.795 122.061 121.223 0.072 0.000 2.051 31 L HA -0.146 4.194 4.340 -0.000 0.000 0.214 31 L C 3.163 180.065 176.870 0.054 0.000 1.076 31 L CA 1.394 56.313 54.840 0.131 0.000 0.758 31 L CB -0.730 41.449 42.059 0.200 0.000 0.890 31 L HN 0.382 nan 8.230 nan 0.000 0.433 32 G N -0.694 108.079 108.800 -0.045 0.000 2.514 32 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 32 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 32 G C 1.543 176.324 174.900 -0.199 0.000 1.198 32 G CA 1.075 45.914 45.100 -0.435 0.000 0.780 32 G HN 0.235 nan 8.290 nan 0.000 0.565 33 V N 0.492 120.341 119.914 -0.108 0.000 2.282 33 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 33 V C 2.362 178.433 176.094 -0.040 0.000 1.057 33 V CA 2.157 64.400 62.300 -0.095 0.000 1.032 33 V CB -0.703 31.008 31.823 -0.187 0.000 0.645 33 V HN 0.364 nan 8.190 nan 0.000 0.447 34 F N 1.384 121.251 119.950 -0.137 0.000 2.075 34 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 34 F C 2.243 178.008 175.800 -0.057 0.000 1.113 34 F CA 2.241 60.195 58.000 -0.076 0.000 1.218 34 F CB -0.407 38.564 39.000 -0.048 0.000 0.984 34 F HN 0.253 nan 8.300 nan 0.000 0.472 35 I N -0.802 119.720 120.570 -0.081 0.000 2.454 35 I HA -0.073 4.097 4.170 -0.000 0.000 0.254 35 I C 2.274 178.342 176.117 -0.081 0.000 1.156 35 I CA 1.457 62.706 61.300 -0.086 0.000 1.433 35 I CB -1.260 36.691 38.000 -0.083 0.000 1.082 35 I HN 0.116 nan 8.210 nan 0.000 0.432 36 A N 1.592 124.312 122.820 -0.168 0.000 1.933 36 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 36 A C 2.574 179.949 177.584 -0.350 0.000 1.175 36 A CA 1.926 53.810 52.037 -0.255 0.000 0.628 36 A CB -0.995 17.858 19.000 -0.245 0.000 0.814 36 A HN 0.613 nan 8.150 nan 0.000 0.444 37 A N -0.864 121.788 122.820 -0.281 0.000 1.930 37 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 37 A C 2.081 179.464 177.584 -0.334 0.000 1.175 37 A CA 1.449 53.362 52.037 -0.208 0.000 0.627 37 A CB -0.492 18.512 19.000 0.008 0.000 0.815 37 A HN 0.645 nan 8.150 nan 0.000 0.443 38 Q N -0.530 118.987 119.800 -0.472 0.000 2.170 38 Q HA -0.052 4.288 4.340 -0.000 0.000 0.203 38 Q C 1.884 177.594 176.000 -0.484 0.000 0.976 38 Q CA 1.130 56.648 55.803 -0.476 0.000 0.858 38 Q CB -0.271 28.238 28.738 -0.382 0.000 0.907 38 Q HN 0.666 nan 8.270 nan 0.000 0.433 39 L N -0.320 120.535 121.223 -0.613 0.000 2.217 39 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 39 L C 2.260 178.696 176.870 -0.723 0.000 1.107 39 L CA 0.656 54.974 54.840 -0.870 0.000 0.783 39 L CB -0.279 41.015 42.059 -1.275 0.000 0.919 39 L HN 0.192 nan 8.230 nan 0.000 0.442 40 A N -1.068 121.325 122.820 -0.711 0.000 1.903 40 A HA -0.061 4.259 4.320 -0.000 0.000 0.213 40 A C 0.644 177.867 177.584 -0.603 0.000 1.185 40 A CA 0.477 51.993 52.037 -0.868 0.000 0.628 40 A CB 0.047 17.950 19.000 -1.828 0.000 0.830 40 A HN 0.405 nan 8.150 nan 0.000 0.446 41 W N -0.832 120.440 121.300 -0.047 0.000 2.516 41 W HA 0.393 5.053 4.660 -0.000 0.000 0.293 41 W C -2.816 173.594 176.519 -0.183 0.000 1.006 41 W CA -2.220 55.141 57.345 0.026 0.000 1.483 41 W CB 0.298 29.849 29.460 0.152 0.000 1.316 41 W HN 0.200 nan 8.180 nan 0.000 0.411 42 P HA -0.221 nan 4.420 nan 0.000 0.223 42 P C 1.626 178.842 177.300 -0.139 0.000 1.144 42 P CA 1.309 64.344 63.100 -0.108 0.000 0.783 42 P CB -0.208 31.468 31.700 -0.041 0.000 0.771 43 F N -1.147 118.752 119.950 -0.085 0.000 2.333 43 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 43 F C 1.455 177.018 175.800 -0.395 0.000 1.083 43 F CA 0.972 58.894 58.000 -0.131 0.000 1.395 43 F CB -1.596 37.376 39.000 -0.047 0.000 1.056 43 F HN -0.206 nan 8.300 nan 0.000 0.529 44 L N 0.820 121.193 121.223 -1.417 0.000 2.622 44 L HA -0.082 4.258 4.340 -0.000 0.000 0.233 44 L C 1.947 178.058 176.870 -1.265 0.000 1.156 44 L CA 0.284 54.099 54.840 -1.708 0.000 0.866 44 L CB -0.873 40.416 42.059 -1.282 0.000 0.980 44 L HN 0.261 nan 8.230 nan 0.000 0.448 45 N N 0.805 119.102 118.700 -0.671 0.000 2.244 45 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 45 N C 0.677 176.164 175.510 -0.039 0.000 1.016 45 N CA 0.973 53.873 53.050 -0.251 0.000 0.866 45 N CB 0.041 38.452 38.487 -0.127 0.000 0.980 45 N HN 0.249 nan 8.380 nan 0.000 0.430 46 F N 0.156 120.143 119.950 0.061 0.000 3.018 46 F HA -0.257 4.270 4.527 -0.000 0.000 0.287 46 F C -0.258 175.575 175.800 0.056 0.000 0.813 46 F CA 0.246 58.303 58.000 0.095 0.000 1.209 46 F CB -2.043 37.030 39.000 0.122 0.000 1.321 46 F HN 0.001 nan 8.300 nan 0.000 0.477 47 D N -0.066 120.425 120.400 0.152 0.000 2.739 47 D HA -0.190 4.450 4.640 -0.000 0.000 0.230 47 D C -0.337 175.972 176.300 0.015 0.000 1.167 47 D CA 0.981 55.021 54.000 0.066 0.000 0.640 47 D CB -0.608 40.235 40.800 0.070 0.000 1.045 47 D HN 0.150 nan 8.370 nan 0.000 0.421 48 L N 0.305 121.526 121.223 -0.003 0.000 2.365 48 L HA 0.325 4.665 4.340 -0.000 0.000 0.273 48 L C -1.156 175.476 176.870 -0.397 0.000 1.000 48 L CA -1.979 52.742 54.840 -0.198 0.000 0.819 48 L CB 1.698 43.735 42.059 -0.038 0.000 1.284 48 L HN -0.292 nan 8.230 nan 0.000 0.418 49 P HA -0.172 nan 4.420 nan 0.000 0.215 49 P C 0.813 177.827 177.300 -0.477 0.000 1.153 49 P CA 1.675 64.355 63.100 -0.700 0.000 0.853 49 P CB -0.037 31.062 31.700 -1.001 0.000 0.788 50 W N 0.621 121.941 121.300 0.034 0.000 3.047 50 W HA 0.163 4.823 4.660 -0.000 0.000 0.250 50 W C 1.334 177.894 176.519 0.067 0.000 1.314 50 W CA 1.214 58.577 57.345 0.029 0.000 1.540 50 W CB -1.798 27.672 29.460 0.016 0.000 1.127 50 W HN 0.028 nan 8.180 nan 0.000 0.679 51 T N -3.032 111.640 114.554 0.195 0.000 3.043 51 T HA 0.197 4.547 4.350 -0.000 0.000 0.272 51 T C 0.871 175.714 174.700 0.239 0.000 0.990 51 T CA 0.150 62.420 62.100 0.282 0.000 0.897 51 T CB -0.637 68.469 68.868 0.398 0.000 1.111 51 T HN 0.033 nan 8.240 nan 0.000 0.529 52 S N 0.561 116.327 115.700 0.111 0.000 2.579 52 S HA 0.346 4.816 4.470 -0.000 0.000 0.275 52 S C 0.889 175.564 174.600 0.125 0.000 1.345 52 S CA -0.762 57.491 58.200 0.087 0.000 1.031 52 S CB 0.342 63.553 63.200 0.018 0.000 0.892 52 S HN 0.224 nan 8.310 nan 0.000 0.529 53 F N 2.888 122.818 119.950 -0.033 0.000 2.095 53 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 53 F C 2.329 178.126 175.800 -0.006 0.000 1.104 53 F CA 2.246 60.222 58.000 -0.040 0.000 1.232 53 F CB -1.064 37.875 39.000 -0.102 0.000 0.987 53 F HN 0.792 nan 8.300 nan 0.000 0.475 54 G N 0.047 108.946 108.800 0.165 0.000 2.469 54 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 54 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 54 G C 1.819 176.697 174.900 -0.037 0.000 1.136 54 G CA 0.982 46.126 45.100 0.073 0.000 0.759 54 G HN 0.353 nan 8.290 nan 0.000 0.562 55 R N -0.657 119.827 120.500 -0.027 0.000 2.128 55 R HA 0.293 4.633 4.340 -0.000 0.000 0.211 55 R C 2.558 178.842 176.300 -0.026 0.000 1.067 55 R CA 0.095 56.184 56.100 -0.017 0.000 1.010 55 R CB -0.297 30.012 30.300 0.015 0.000 0.922 55 R HN 0.306 nan 8.270 nan 0.000 0.457 56 L N 0.403 121.601 121.223 -0.042 0.000 2.156 56 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 56 L C 2.711 179.522 176.870 -0.099 0.000 1.095 56 L CA 0.929 55.757 54.840 -0.021 0.000 0.770 56 L CB -0.397 41.699 42.059 0.063 0.000 0.914 56 L HN 0.176 nan 8.230 nan 0.000 0.439 57 R N 0.657 120.975 120.500 -0.303 0.000 2.122 57 R HA -0.189 4.151 4.340 -0.000 0.000 0.236 57 R C -0.427 175.841 176.300 -0.053 0.000 1.129 57 R CA 2.395 58.312 56.100 -0.306 0.000 0.925 57 R CB -1.301 28.697 30.300 -0.504 0.000 0.850 57 R HN 0.247 nan 8.270 nan 0.000 0.431 58 P HA -0.178 nan 4.420 nan 0.000 0.222 58 P C 1.512 178.829 177.300 0.028 0.000 1.147 58 P CA 1.171 64.267 63.100 -0.008 0.000 0.790 58 P CB -0.142 31.544 31.700 -0.024 0.000 0.780 59 L N -0.641 120.601 121.223 0.032 0.000 1.994 59 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 59 L C 2.889 179.818 176.870 0.099 0.000 1.071 59 L CA 2.042 56.915 54.840 0.056 0.000 0.745 59 L CB -0.981 41.116 42.059 0.063 0.000 0.892 59 L HN 0.079 nan 8.230 nan 0.000 0.431 60 H N -0.580 118.513 119.070 0.038 0.000 2.265 60 H HA -0.222 4.334 4.556 -0.000 0.000 0.295 60 H C 2.071 177.456 175.328 0.096 0.000 1.084 60 H CA 2.643 58.735 56.048 0.072 0.000 1.261 60 H CB -0.531 29.266 29.762 0.059 0.000 1.360 60 H HN 0.158 nan 8.280 nan 0.000 0.487 61 T N 0.469 114.958 114.554 -0.109 0.000 2.597 61 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 61 T C 1.950 176.650 174.700 0.000 0.000 1.053 61 T CA 1.821 63.870 62.100 -0.086 0.000 1.165 61 T CB -0.375 68.543 68.868 0.082 0.000 0.863 61 T HN 0.510 nan 8.240 nan 0.000 0.427 62 N N 0.514 119.272 118.700 0.098 0.000 2.142 62 N HA -0.043 4.697 4.740 -0.000 0.000 0.186 62 N C 2.228 177.812 175.510 0.124 0.000 1.023 62 N CA 1.090 54.271 53.050 0.218 0.000 0.852 62 N CB -0.207 38.378 38.487 0.164 0.000 0.998 62 N HN 0.368 nan 8.380 nan 0.000 0.424 63 A N 0.914 123.760 122.820 0.043 0.000 1.908 63 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 63 A C 2.405 180.063 177.584 0.123 0.000 1.181 63 A CA 1.257 53.319 52.037 0.043 0.000 0.627 63 A CB -0.746 18.316 19.000 0.103 0.000 0.818 63 A HN 0.160 nan 8.150 nan 0.000 0.445 64 V N -0.693 119.245 119.914 0.040 0.000 2.535 64 V HA -0.070 4.050 4.120 -0.000 0.000 0.246 64 V C 2.209 178.385 176.094 0.137 0.000 1.045 64 V CA 1.598 63.940 62.300 0.070 0.000 1.058 64 V CB -0.184 31.527 31.823 -0.187 0.000 0.689 64 V HN 0.566 nan 8.190 nan 0.000 0.461 65 I N -1.531 119.003 120.570 -0.059 0.000 2.364 65 I HA -0.061 4.109 4.170 -0.000 0.000 0.241 65 I C 1.986 178.019 176.117 -0.140 0.000 1.082 65 I CA 1.398 62.547 61.300 -0.251 0.000 1.401 65 I CB -0.215 37.337 38.000 -0.746 0.000 1.126 65 I HN 0.224 nan 8.210 nan 0.000 0.429 66 F N 0.565 120.584 119.950 0.114 0.000 2.335 66 F HA 0.092 4.619 4.527 -0.000 0.000 0.296 66 F C 2.392 178.470 175.800 0.463 0.000 1.091 66 F CA 0.906 59.084 58.000 0.296 0.000 1.399 66 F CB -0.803 38.232 39.000 0.059 0.000 1.067 66 F HN -0.036 nan 8.300 nan 0.000 0.520 67 A N -0.003 123.010 122.820 0.320 0.000 1.835 67 A HA -0.068 4.252 4.320 -0.000 0.000 0.213 67 A C 2.012 179.868 177.584 0.453 0.000 1.210 67 A CA 1.069 53.194 52.037 0.147 0.000 0.605 67 A CB -1.278 17.521 19.000 -0.335 0.000 0.860 67 A HN 0.303 nan 8.150 nan 0.000 0.447 68 F N 1.064 121.209 119.950 0.325 0.000 2.022 68 F HA 0.083 4.610 4.527 -0.000 0.000 0.293 68 F C 2.369 178.365 175.800 0.328 0.000 1.142 68 F CA 1.880 60.086 58.000 0.344 0.000 1.177 68 F CB -0.945 38.209 39.000 0.256 0.000 0.982 68 F HN 0.193 nan 8.300 nan 0.000 0.473 69 G N -0.258 108.593 108.800 0.085 0.000 2.469 69 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 69 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 69 G C 1.895 176.934 174.900 0.231 0.000 1.150 69 G CA 0.863 46.047 45.100 0.140 0.000 0.763 69 G HN 0.725 nan 8.290 nan 0.000 0.561 70 G N 0.237 109.349 108.800 0.521 0.000 2.514 70 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 70 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 70 G C 1.899 176.923 174.900 0.206 0.000 1.198 70 G CA 1.437 46.876 45.100 0.565 0.000 0.780 70 G HN 0.462 nan 8.290 nan 0.000 0.565 71 C N 0.935 120.459 119.300 0.372 0.000 2.425 71 C HA 0.199 4.659 4.460 -0.000 0.000 0.277 71 C C 3.546 178.547 174.990 0.018 0.000 1.280 71 C CA 0.673 59.891 59.018 0.333 0.000 1.744 71 C CB -1.053 27.070 27.740 0.639 0.000 1.989 71 C HN 0.595 nan 8.230 nan 0.000 0.491 72 A N 0.394 123.145 122.820 -0.115 0.000 1.892 72 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 72 A C 1.976 179.310 177.584 -0.417 0.000 1.188 72 A CA 1.663 53.531 52.037 -0.283 0.000 0.631 72 A CB -0.628 18.132 19.000 -0.401 0.000 0.822 72 A HN 0.437 nan 8.150 nan 0.000 0.447 73 L N -1.643 119.234 121.223 -0.578 0.000 2.046 73 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 73 L C 2.380 178.784 176.870 -0.777 0.000 1.077 73 L CA 1.564 55.946 54.840 -0.762 0.000 0.747 73 L CB -1.506 39.968 42.059 -0.976 0.000 0.896 73 L HN 0.461 nan 8.230 nan 0.000 0.432 74 F N -0.492 118.881 119.950 -0.962 0.000 2.051 74 F HA -0.254 4.273 4.527 -0.000 0.000 0.296 74 F C 2.501 177.735 175.800 -0.943 0.000 1.122 74 F CA 1.515 58.657 58.000 -1.429 0.000 1.201 74 F CB -0.860 36.645 39.000 -2.492 0.000 0.978 74 F HN 0.092 nan 8.300 nan 0.000 0.472 75 A N -0.433 122.168 122.820 -0.364 0.000 1.892 75 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 75 A C 2.196 179.731 177.584 -0.081 0.000 1.188 75 A CA 2.536 54.526 52.037 -0.079 0.000 0.631 75 A CB -1.383 17.617 19.000 0.001 0.000 0.822 75 A HN 0.384 nan 8.150 nan 0.000 0.447 76 T N 0.341 114.797 114.554 -0.163 0.000 2.701 76 T HA -0.147 4.203 4.350 -0.000 0.000 0.263 76 T C 2.435 177.056 174.700 -0.131 0.000 1.040 76 T CA 2.244 64.334 62.100 -0.016 0.000 1.147 76 T CB -0.504 68.355 68.868 -0.014 0.000 0.865 76 T HN 0.812 nan 8.240 nan 0.000 0.426 77 S N 0.825 116.214 115.700 -0.518 0.000 2.368 77 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 77 S C 1.927 176.379 174.600 -0.246 0.000 1.030 77 S CA 1.028 58.699 58.200 -0.882 0.000 0.999 77 S CB -1.189 61.355 63.200 -1.095 0.000 0.844 77 S HN 0.676 nan 8.310 nan 0.000 0.459 78 Y N -0.122 120.083 120.300 -0.159 0.000 2.224 78 Y HA -0.171 4.379 4.550 -0.000 0.000 0.289 78 Y C 2.621 178.473 175.900 -0.079 0.000 1.146 78 Y CA 1.236 59.307 58.100 -0.047 0.000 1.182 78 Y CB -0.362 38.127 38.460 0.049 0.000 0.983 78 Y HN 0.336 nan 8.280 nan 0.000 0.524 79 Y N 0.205 120.477 120.300 -0.047 0.000 2.092 79 Y HA -0.295 4.255 4.550 -0.000 0.000 0.282 79 Y C 2.894 178.570 175.900 -0.375 0.000 1.126 79 Y CA 1.667 59.652 58.100 -0.192 0.000 1.111 79 Y CB -0.875 37.491 38.460 -0.156 0.000 0.987 79 Y HN 0.004 nan 8.280 nan 0.000 0.489 80 S N -0.746 114.723 115.700 -0.384 0.000 2.359 80 S HA -0.247 4.223 4.470 -0.000 0.000 0.223 80 S C 2.211 176.510 174.600 -0.502 0.000 1.039 80 S CA 1.812 59.589 58.200 -0.706 0.000 1.042 80 S CB -1.199 61.796 63.200 -0.342 0.000 0.915 80 S HN 0.433 nan 8.310 nan 0.000 0.439 81 V N 1.409 121.133 119.914 -0.316 0.000 2.287 81 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 81 V C 2.535 178.450 176.094 -0.299 0.000 1.053 81 V CA 2.542 64.674 62.300 -0.280 0.000 1.027 81 V CB -0.774 30.833 31.823 -0.360 0.000 0.646 81 V HN 0.621 nan 8.190 nan 0.000 0.447 82 Q N -0.671 118.940 119.800 -0.314 0.000 2.030 82 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 82 Q C 2.428 178.170 176.000 -0.430 0.000 0.986 82 Q CA 2.355 57.978 55.803 -0.300 0.000 0.843 82 Q CB -0.199 28.355 28.738 -0.306 0.000 0.904 82 Q HN 0.622 nan 8.270 nan 0.000 0.420 83 R N -0.692 119.366 120.500 -0.738 0.000 2.073 83 R HA -0.040 4.300 4.340 -0.000 0.000 0.229 83 R C 2.345 178.487 176.300 -0.263 0.000 1.120 83 R CA 1.418 57.138 56.100 -0.634 0.000 0.967 83 R CB -0.543 29.304 30.300 -0.755 0.000 0.862 83 R HN 0.128 nan 8.270 nan 0.000 0.436 84 T N 0.149 114.538 114.554 -0.274 0.000 2.977 84 T HA -0.104 4.246 4.350 -0.000 0.000 0.271 84 T C 1.541 176.193 174.700 -0.079 0.000 1.105 84 T CA 1.355 63.377 62.100 -0.131 0.000 1.116 84 T CB -0.108 68.735 68.868 -0.042 0.000 0.878 84 T HN 0.597 nan 8.240 nan 0.000 0.509 85 C N -0.281 118.966 119.300 -0.089 0.000 3.785 85 C HA 0.488 4.948 4.460 -0.000 0.000 0.312 85 C C 0.484 175.467 174.990 -0.013 0.000 1.566 85 C CA -0.707 58.282 59.018 -0.048 0.000 1.837 85 C CB -0.522 27.179 27.740 -0.066 0.000 2.826 85 C HN 0.499 nan 8.230 nan 0.000 0.667 86 Q N 1.823 121.645 119.800 0.037 0.000 2.470 86 Q HA -0.128 4.212 4.340 -0.000 0.000 0.290 86 Q C -0.229 175.842 176.000 0.118 0.000 1.353 86 Q CA 1.486 57.380 55.803 0.152 0.000 0.787 86 Q CB -2.353 26.426 28.738 0.069 0.000 1.158 86 Q HN 0.960 nan 8.270 nan 0.000 0.426 87 T N -3.931 110.721 114.554 0.162 0.000 2.843 87 T HA 0.471 4.821 4.350 -0.000 0.000 0.302 87 T C 0.057 174.847 174.700 0.150 0.000 1.232 87 T CA -0.715 61.431 62.100 0.077 0.000 1.009 87 T CB 1.978 70.855 68.868 0.015 0.000 1.254 87 T HN -0.001 nan 8.240 nan 0.000 0.504 88 T N 2.180 116.776 114.554 0.070 0.000 2.930 88 T HA 0.266 4.616 4.350 -0.000 0.000 0.306 88 T C 0.668 175.400 174.700 0.052 0.000 1.045 88 T CA -0.414 61.734 62.100 0.079 0.000 1.134 88 T CB -0.072 68.799 68.868 0.005 0.000 0.961 88 T HN 0.447 nan 8.240 nan 0.000 0.545 89 L N 3.355 124.591 121.223 0.022 0.000 2.640 89 L HA 0.018 4.358 4.340 -0.000 0.000 0.280 89 L C 0.552 177.436 176.870 0.023 0.000 1.229 89 L CA -0.053 54.771 54.840 -0.028 0.000 0.919 89 L CB -0.052 41.919 42.059 -0.147 0.000 1.168 89 L HN 0.637 nan 8.230 nan 0.000 0.496 90 F N 5.389 125.292 119.950 -0.078 0.000 2.578 90 F HA 0.276 4.803 4.527 -0.000 0.000 0.381 90 F C 0.926 176.711 175.800 -0.025 0.000 1.069 90 F CA -0.058 57.916 58.000 -0.043 0.000 1.231 90 F CB 0.329 39.309 39.000 -0.033 0.000 1.086 90 F HN 0.713 nan 8.300 nan 0.000 0.564 91 A N 6.097 128.496 122.820 -0.702 0.000 1.936 91 A HA -0.161 4.159 4.320 -0.000 0.000 0.254 91 A C -1.888 175.551 177.584 -0.242 0.000 1.352 91 A CA 0.176 51.882 52.037 -0.552 0.000 0.724 91 A CB -1.580 16.965 19.000 -0.759 0.000 1.196 91 A HN 0.688 nan 8.150 nan 0.000 0.283 92 P HA -0.150 nan 4.420 nan 0.000 0.220 92 P C 1.275 178.558 177.300 -0.029 0.000 1.148 92 P CA 1.378 64.426 63.100 -0.087 0.000 0.803 92 P CB 0.107 31.773 31.700 -0.058 0.000 0.782 93 K N -0.560 119.828 120.400 -0.020 0.000 2.062 93 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 93 K C 2.132 178.801 176.600 0.113 0.000 1.051 93 K CA 0.664 56.980 56.287 0.049 0.000 0.941 93 K CB -0.761 31.753 32.500 0.024 0.000 0.719 93 K HN 0.075 nan 8.250 nan 0.000 0.440 94 L N 1.370 122.628 121.223 0.059 0.000 2.191 94 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 94 L C 2.183 179.221 176.870 0.279 0.000 1.103 94 L CA 1.389 56.323 54.840 0.156 0.000 0.769 94 L CB -0.433 41.659 42.059 0.054 0.000 0.908 94 L HN 0.109 nan 8.230 nan 0.000 0.438 95 A N -0.825 122.088 122.820 0.155 0.000 1.929 95 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 95 A C 2.448 180.199 177.584 0.277 0.000 1.176 95 A CA 1.390 53.530 52.037 0.171 0.000 0.628 95 A CB -0.959 17.931 19.000 -0.182 0.000 0.816 95 A HN 0.498 nan 8.150 nan 0.000 0.444 96 A N -0.781 122.174 122.820 0.226 0.000 1.902 96 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 96 A C 2.016 179.843 177.584 0.404 0.000 1.181 96 A CA 1.639 53.840 52.037 0.274 0.000 0.623 96 A CB -0.787 18.373 19.000 0.267 0.000 0.818 96 A HN 0.741 nan 8.150 nan 0.000 0.443 97 F N 2.223 122.339 119.950 0.276 0.000 2.065 97 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 97 F C 2.668 178.635 175.800 0.279 0.000 1.112 97 F CA 2.730 60.900 58.000 0.282 0.000 1.212 97 F CB -0.955 38.167 39.000 0.204 0.000 0.975 97 F HN 0.330 nan 8.300 nan 0.000 0.476 98 T N -1.635 112.995 114.554 0.128 0.000 2.946 98 T HA -0.255 4.095 4.350 -0.000 0.000 0.271 98 T C 1.855 176.557 174.700 0.002 0.000 1.104 98 T CA 1.337 63.450 62.100 0.021 0.000 1.114 98 T CB -1.383 67.670 68.868 0.309 0.000 0.867 98 T HN 0.478 nan 8.240 nan 0.000 0.513 99 F N 0.352 120.222 119.950 -0.135 0.000 2.037 99 F HA 0.125 4.652 4.527 -0.000 0.000 0.291 99 F C 2.006 177.518 175.800 -0.482 0.000 1.137 99 F CA 0.732 58.359 58.000 -0.622 0.000 1.178 99 F CB -0.312 38.075 39.000 -1.022 0.000 0.995 99 F HN 0.113 nan 8.300 nan 0.000 0.472 100 W N 0.892 121.969 121.300 -0.372 0.000 2.363 100 W HA -0.033 4.627 4.660 -0.000 0.000 0.296 100 W C 2.641 178.947 176.519 -0.355 0.000 1.212 100 W CA 1.122 58.228 57.345 -0.399 0.000 1.260 100 W CB -1.275 28.119 29.460 -0.110 0.000 1.131 100 W HN 0.215 nan 8.180 nan 0.000 0.530 101 G N 0.279 108.941 108.800 -0.231 0.000 2.491 101 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 101 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 101 G C 1.318 176.137 174.900 -0.135 0.000 1.180 101 G CA 1.017 45.910 45.100 -0.346 0.000 0.774 101 G HN 0.373 nan 8.290 nan 0.000 0.562 102 W N 0.754 121.854 121.300 -0.332 0.000 2.363 102 W HA -0.080 4.580 4.660 -0.000 0.000 0.296 102 W C 2.552 178.923 176.519 -0.248 0.000 1.212 102 W CA 1.363 58.566 57.345 -0.237 0.000 1.260 102 W CB 0.108 29.403 29.460 -0.276 0.000 1.131 102 W HN 0.232 nan 8.180 nan 0.000 0.530 103 Q N 0.307 119.937 119.800 -0.284 0.000 2.084 103 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 103 Q C 2.353 178.240 176.000 -0.188 0.000 0.978 103 Q CA 1.090 56.735 55.803 -0.264 0.000 0.844 103 Q CB -1.181 27.331 28.738 -0.376 0.000 0.898 103 Q HN 0.359 nan 8.270 nan 0.000 0.426 104 L N 0.442 121.578 121.223 -0.145 0.000 2.083 104 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 104 L C 2.162 178.910 176.870 -0.204 0.000 1.083 104 L CA 1.134 55.905 54.840 -0.114 0.000 0.752 104 L CB -0.365 41.658 42.059 -0.060 0.000 0.899 104 L HN 0.056 nan 8.230 nan 0.000 0.433 105 V N 0.567 120.293 119.914 -0.312 0.000 2.255 105 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 105 V C 2.514 178.323 176.094 -0.475 0.000 1.051 105 V CA 2.136 64.180 62.300 -0.427 0.000 1.018 105 V CB -0.331 31.096 31.823 -0.660 0.000 0.641 105 V HN 0.355 nan 8.190 nan 0.000 0.445 106 I N -0.720 119.488 120.570 -0.603 0.000 2.163 106 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 106 I C 2.378 178.248 176.117 -0.412 0.000 1.085 106 I CA 1.608 62.530 61.300 -0.630 0.000 1.347 106 I CB -0.339 37.061 38.000 -1.000 0.000 1.044 106 I HN 0.247 nan 8.210 nan 0.000 0.408 107 L N -0.158 120.910 121.223 -0.258 0.000 2.083 107 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 107 L C 2.351 179.159 176.870 -0.104 0.000 1.083 107 L CA 1.198 55.980 54.840 -0.095 0.000 0.752 107 L CB -0.141 41.913 42.059 -0.008 0.000 0.899 107 L HN 0.185 nan 8.230 nan 0.000 0.433 108 L N -0.623 120.512 121.223 -0.147 0.000 2.046 108 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 108 L C 2.717 179.511 176.870 -0.125 0.000 1.077 108 L CA 1.957 56.716 54.840 -0.136 0.000 0.747 108 L CB -1.538 40.422 42.059 -0.165 0.000 0.896 108 L HN 0.270 nan 8.230 nan 0.000 0.432 109 A N -0.626 122.092 122.820 -0.170 0.000 1.883 109 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 109 A C 2.512 180.052 177.584 -0.074 0.000 1.186 109 A CA 2.040 53.995 52.037 -0.137 0.000 0.624 109 A CB -0.960 17.924 19.000 -0.193 0.000 0.822 109 A HN 0.404 nan 8.150 nan 0.000 0.444 110 A N -0.215 122.557 122.820 -0.081 0.000 1.883 110 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 110 A C 2.159 179.748 177.584 0.009 0.000 1.186 110 A CA 1.745 53.772 52.037 -0.017 0.000 0.624 110 A CB -0.633 18.375 19.000 0.013 0.000 0.822 110 A HN 0.518 nan 8.150 nan 0.000 0.444 111 I N 0.056 120.624 120.570 -0.003 0.000 2.193 111 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 111 I C 2.948 179.107 176.117 0.070 0.000 1.084 111 I CA 1.542 62.850 61.300 0.014 0.000 1.365 111 I CB -0.275 37.719 38.000 -0.010 0.000 1.064 111 I HN 0.507 nan 8.210 nan 0.000 0.410 112 S N 1.297 117.039 115.700 0.070 0.000 2.383 112 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 112 S C 2.043 176.764 174.600 0.201 0.000 1.026 112 S CA 0.931 59.250 58.200 0.198 0.000 0.981 112 S CB -0.700 62.548 63.200 0.080 0.000 0.818 112 S HN 0.378 nan 8.310 nan 0.000 0.472 113 L N 1.285 122.560 121.223 0.087 0.000 2.044 113 L HA 0.073 4.413 4.340 -0.000 0.000 0.205 113 L C -0.636 176.264 176.870 0.050 0.000 1.075 113 L CA 1.027 55.900 54.840 0.054 0.000 0.747 113 L CB -1.407 40.667 42.059 0.026 0.000 0.903 113 L HN 0.289 nan 8.230 nan 0.000 0.435 114 P HA -0.110 nan 4.420 nan 0.000 0.222 114 P C 1.592 178.998 177.300 0.177 0.000 1.153 114 P CA 0.757 63.939 63.100 0.137 0.000 0.798 114 P CB 0.145 31.948 31.700 0.170 0.000 0.796 115 L N -1.418 119.872 121.223 0.111 0.000 2.456 115 L HA 0.119 4.459 4.340 -0.000 0.000 0.224 115 L C 1.699 178.362 176.870 -0.345 0.000 1.148 115 L CA 1.780 56.634 54.840 0.024 0.000 0.825 115 L CB -1.532 40.599 42.059 0.120 0.000 0.937 115 L HN 0.192 nan 8.230 nan 0.000 0.450 116 G N -2.283 106.345 108.800 -0.287 0.000 2.179 116 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 116 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 116 G C 0.196 174.868 174.900 -0.380 0.000 0.990 116 G CA -0.207 44.690 45.100 -0.338 0.000 0.646 116 G HN 0.169 nan 8.290 nan 0.000 0.517 117 F N 2.442 122.395 119.950 0.004 0.000 2.515 117 F HA 0.610 5.137 4.527 -0.000 0.000 0.353 117 F C 0.840 176.617 175.800 -0.039 0.000 1.213 117 F CA 0.155 58.139 58.000 -0.026 0.000 1.194 117 F CB 1.133 40.101 39.000 -0.053 0.000 1.488 117 F HN 0.073 nan 8.300 nan 0.000 0.619 118 T N -0.332 114.272 114.554 0.083 0.000 2.886 118 T HA 0.293 4.643 4.350 -0.000 0.000 0.292 118 T C 0.917 175.632 174.700 0.026 0.000 1.012 118 T CA -0.298 61.823 62.100 0.036 0.000 0.982 118 T CB 1.348 70.220 68.868 0.006 0.000 1.018 118 T HN 0.441 nan 8.240 nan 0.000 0.451 119 S N 2.792 118.497 115.700 0.007 0.000 2.515 119 S HA 0.043 4.513 4.470 -0.000 0.000 0.231 119 S C 1.676 176.276 174.600 0.002 0.000 0.987 119 S CA 1.144 59.346 58.200 0.003 0.000 0.936 119 S CB -0.662 62.527 63.200 -0.019 0.000 0.766 119 S HN 2.097 nan 8.310 nan 0.000 0.528 120 S N -0.029 115.666 115.700 -0.008 0.000 2.206 120 S HA -0.264 4.206 4.470 -0.000 0.000 0.241 120 S C 0.007 174.584 174.600 -0.038 0.000 1.163 120 S CA 1.174 59.369 58.200 -0.008 0.000 1.532 120 S CB -2.384 60.829 63.200 0.020 0.000 1.946 120 S HN 0.738 nan 8.310 nan 0.000 0.590 121 K N 2.593 122.953 120.400 -0.066 0.000 2.416 121 K HA 0.221 4.541 4.320 -0.000 0.000 0.283 121 K C 0.255 176.755 176.600 -0.166 0.000 1.037 121 K CA 0.141 56.351 56.287 -0.129 0.000 0.995 121 K CB 0.263 32.665 32.500 -0.163 0.000 0.938 121 K HN 0.506 nan 8.250 nan 0.000 0.475 122 E N 2.548 122.602 120.200 -0.243 0.000 2.417 122 E HA -0.097 4.253 4.350 -0.000 0.000 0.261 122 E C -0.505 175.926 176.600 -0.281 0.000 1.000 122 E CA 0.357 56.511 56.400 -0.409 0.000 0.919 122 E CB 0.088 29.499 29.700 -0.481 0.000 0.955 122 E HN 0.501 nan 8.360 nan 0.000 0.455 123 Y N 0.091 120.477 120.300 0.143 0.000 4.604 123 Y HA -0.320 4.230 4.550 -0.000 0.000 0.230 123 Y C 0.509 176.615 175.900 0.344 0.000 1.066 123 Y CA 0.448 58.728 58.100 0.300 0.000 1.990 123 Y CB -1.814 36.810 38.460 0.274 0.000 1.619 123 Y HN 0.558 nan 8.280 nan 0.000 0.649 124 A N -0.592 122.317 122.820 0.149 0.000 2.543 124 A HA 0.304 4.624 4.320 -0.000 0.000 0.279 124 A C 1.262 178.793 177.584 -0.088 0.000 0.917 124 A CA -0.083 51.925 52.037 -0.048 0.000 1.036 124 A CB 0.218 18.986 19.000 -0.385 0.000 1.227 124 A HN 0.390 nan 8.150 nan 0.000 0.503 125 E N 0.227 120.399 120.200 -0.047 0.000 2.208 125 E HA -0.010 4.340 4.350 -0.000 0.000 0.193 125 E C 0.175 176.747 176.600 -0.046 0.000 0.988 125 E CA 0.206 56.577 56.400 -0.048 0.000 0.828 125 E CB -0.255 29.424 29.700 -0.035 0.000 0.763 125 E HN 0.674 nan 8.360 nan 0.000 0.478 126 L N 2.488 123.668 121.223 -0.071 0.000 2.485 126 L HA 0.018 4.358 4.340 -0.000 0.000 0.275 126 L C 1.062 177.892 176.870 -0.066 0.000 1.207 126 L CA 0.090 54.882 54.840 -0.080 0.000 0.855 126 L CB 0.210 42.187 42.059 -0.136 0.000 1.114 126 L HN -0.063 nan 8.230 nan 0.000 0.485 127 E N 2.468 122.621 120.200 -0.077 0.000 2.369 127 E HA -0.059 4.291 4.350 -0.000 0.000 0.255 127 E C 0.851 177.372 176.600 -0.131 0.000 1.172 127 E CA -0.195 56.156 56.400 -0.082 0.000 0.932 127 E CB 0.670 30.301 29.700 -0.116 0.000 1.040 127 E HN 0.688 nan 8.360 nan 0.000 0.454 128 W N 1.331 122.583 121.300 -0.079 0.000 2.305 128 W HA -0.139 4.521 4.660 -0.000 0.000 0.308 128 W C -1.269 175.219 176.519 -0.051 0.000 1.226 128 W CA 1.167 58.469 57.345 -0.071 0.000 1.253 128 W CB -2.213 27.201 29.460 -0.076 0.000 1.146 128 W HN 0.394 nan 8.180 nan 0.000 0.507 129 P HA -0.138 nan 4.420 nan 0.000 0.218 129 P C 1.919 179.064 177.300 -0.258 0.000 1.149 129 P CA 2.023 64.728 63.100 -0.659 0.000 0.817 129 P CB -0.352 30.786 31.700 -0.937 0.000 0.785 130 I N -0.417 120.005 120.570 -0.248 0.000 2.315 130 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 130 I C 1.739 177.833 176.117 -0.038 0.000 1.117 130 I CA 1.351 62.562 61.300 -0.150 0.000 1.404 130 I CB -0.676 37.214 38.000 -0.184 0.000 1.071 130 I HN -0.095 nan 8.210 nan 0.000 0.419 131 D N 1.075 121.492 120.400 0.029 0.000 2.144 131 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 131 D C 2.264 178.716 176.300 0.255 0.000 0.984 131 D CA 1.353 55.464 54.000 0.186 0.000 0.834 131 D CB -0.127 40.731 40.800 0.097 0.000 0.955 131 D HN 0.358 nan 8.370 nan 0.000 0.465 132 I N 0.429 121.106 120.570 0.178 0.000 2.179 132 I HA -0.241 3.928 4.170 -0.000 0.000 0.242 132 I C 2.402 178.625 176.117 0.177 0.000 1.088 132 I CA 0.498 61.912 61.300 0.190 0.000 1.357 132 I CB -0.161 37.952 38.000 0.190 0.000 1.051 132 I HN -0.013 nan 8.210 nan 0.000 0.409 133 L N 1.044 122.336 121.223 0.115 0.000 1.989 133 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 133 L C 2.377 179.343 176.870 0.161 0.000 1.071 133 L CA 1.881 56.791 54.840 0.117 0.000 0.749 133 L CB -0.454 41.622 42.059 0.028 0.000 0.890 133 L HN 0.110 nan 8.230 nan 0.000 0.431 134 I N -0.790 119.843 120.570 0.106 0.000 2.113 134 I HA -0.410 3.760 4.170 -0.000 0.000 0.242 134 I C 2.276 178.541 176.117 0.246 0.000 1.064 134 I CA 2.091 63.459 61.300 0.112 0.000 1.320 134 I CB -0.869 37.026 38.000 -0.176 0.000 1.028 134 I HN 0.350 nan 8.210 nan 0.000 0.406 135 T N 1.081 115.789 114.554 0.258 0.000 2.665 135 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 135 T C 1.873 176.796 174.700 0.371 0.000 1.035 135 T CA 1.670 63.974 62.100 0.341 0.000 1.151 135 T CB -0.463 68.606 68.868 0.335 0.000 0.862 135 T HN 0.253 nan 8.240 nan 0.000 0.438 136 I N 0.745 121.517 120.570 0.336 0.000 2.142 136 I HA -0.169 4.001 4.170 -0.000 0.000 0.240 136 I C 2.534 178.947 176.117 0.493 0.000 1.078 136 I CA 1.035 62.556 61.300 0.369 0.000 1.343 136 I CB -0.486 37.723 38.000 0.348 0.000 1.046 136 I HN 0.085 nan 8.210 nan 0.000 0.405 137 V N -0.098 120.107 119.914 0.486 0.000 2.343 137 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 137 V C 2.119 178.541 176.094 0.547 0.000 1.051 137 V CA 1.774 64.358 62.300 0.474 0.000 1.036 137 V CB -0.711 31.335 31.823 0.372 0.000 0.654 137 V HN 0.594 nan 8.190 nan 0.000 0.451 138 W N 0.267 121.783 121.300 0.361 0.000 2.379 138 W HA -0.157 4.503 4.660 -0.000 0.000 0.307 138 W C 2.403 179.108 176.519 0.310 0.000 1.200 138 W CA 1.891 59.438 57.345 0.337 0.000 1.297 138 W CB -0.139 29.457 29.460 0.228 0.000 1.140 138 W HN 0.141 nan 8.180 nan 0.000 0.507 139 V N 1.361 121.532 119.914 0.428 0.000 2.282 139 V HA -0.343 3.777 4.120 -0.000 0.000 0.249 139 V C 2.602 178.851 176.094 0.258 0.000 1.057 139 V CA 2.409 64.882 62.300 0.289 0.000 1.032 139 V CB -1.562 30.419 31.823 0.263 0.000 0.645 139 V HN 0.237 nan 8.190 nan 0.000 0.447 140 A N -0.878 122.151 122.820 0.348 0.000 1.883 140 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 140 A C 2.192 180.000 177.584 0.374 0.000 1.186 140 A CA 2.285 54.551 52.037 0.381 0.000 0.624 140 A CB -0.845 18.514 19.000 0.597 0.000 0.822 140 A HN 0.652 nan 8.150 nan 0.000 0.444 141 Y N 0.824 121.231 120.300 0.179 0.000 2.181 141 Y HA -0.101 4.449 4.550 -0.000 0.000 0.288 141 Y C 2.636 178.555 175.900 0.032 0.000 1.146 141 Y CA 1.017 59.162 58.100 0.075 0.000 1.164 141 Y CB -0.889 37.415 38.460 -0.260 0.000 0.982 141 Y HN 0.313 nan 8.280 nan 0.000 0.515 142 A N -0.400 122.320 122.820 -0.166 0.000 1.883 142 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 142 A C 2.436 180.153 177.584 0.222 0.000 1.186 142 A CA 2.326 54.332 52.037 -0.052 0.000 0.624 142 A CB -1.383 17.617 19.000 0.001 0.000 0.822 142 A HN 0.328 nan 8.150 nan 0.000 0.444 143 V N -0.390 119.654 119.914 0.218 0.000 2.295 143 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 143 V C 2.589 178.925 176.094 0.403 0.000 1.049 143 V CA 2.024 64.502 62.300 0.297 0.000 1.024 143 V CB -0.786 31.204 31.823 0.278 0.000 0.648 143 V HN 0.383 nan 8.190 nan 0.000 0.447 144 V N -0.684 119.436 119.914 0.344 0.000 2.295 144 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 144 V C 2.090 178.357 176.094 0.288 0.000 1.049 144 V CA 2.574 65.071 62.300 0.328 0.000 1.024 144 V CB -0.696 31.300 31.823 0.288 0.000 0.648 144 V HN 0.570 nan 8.190 nan 0.000 0.447 145 F N 0.182 120.164 119.950 0.055 0.000 2.053 145 F HA -0.119 4.408 4.527 -0.000 0.000 0.292 145 F C 2.095 177.814 175.800 -0.135 0.000 1.125 145 F CA 1.689 59.615 58.000 -0.124 0.000 1.193 145 F CB -0.448 38.270 39.000 -0.470 0.000 0.996 145 F HN 0.099 nan 8.300 nan 0.000 0.470 146 F N 0.811 120.823 119.950 0.103 0.000 2.269 146 F HA -0.047 4.480 4.527 -0.000 0.000 0.301 146 F C 2.593 178.307 175.800 -0.143 0.000 1.082 146 F CA 1.323 59.318 58.000 -0.009 0.000 1.360 146 F CB -1.217 37.824 39.000 0.069 0.000 1.041 146 F HN 0.116 nan 8.300 nan 0.000 0.512 147 G N -0.899 107.924 108.800 0.038 0.000 2.418 147 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 147 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 147 G C 1.720 176.457 174.900 -0.271 0.000 1.158 147 G CA 1.416 46.304 45.100 -0.353 0.000 0.771 147 G HN 0.282 nan 8.290 nan 0.000 0.545 148 T N 1.335 115.833 114.554 -0.092 0.000 2.746 148 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 148 T C 2.392 176.955 174.700 -0.228 0.000 1.039 148 T CA 0.719 62.743 62.100 -0.128 0.000 1.142 148 T CB -0.172 68.593 68.868 -0.171 0.000 0.866 148 T HN 0.120 nan 8.240 nan 0.000 0.444 149 L N 0.761 121.777 121.223 -0.345 0.000 1.994 149 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 149 L C 3.023 179.804 176.870 -0.149 0.000 1.071 149 L CA 1.384 56.060 54.840 -0.273 0.000 0.745 149 L CB -0.677 41.190 42.059 -0.320 0.000 0.892 149 L HN 0.258 nan 8.230 nan 0.000 0.431 150 A N 0.637 123.372 122.820 -0.142 0.000 2.076 150 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 150 A C 1.708 179.211 177.584 -0.134 0.000 1.160 150 A CA 1.845 53.807 52.037 -0.125 0.000 0.653 150 A CB -0.436 18.464 19.000 -0.166 0.000 0.801 150 A HN 0.584 nan 8.150 nan 0.000 0.455 151 K N 0.190 120.503 120.400 -0.144 0.000 2.726 151 K HA 0.225 4.545 4.320 -0.000 0.000 0.209 151 K C 0.335 176.895 176.600 -0.066 0.000 1.082 151 K CA -0.722 55.507 56.287 -0.098 0.000 1.081 151 K CB 0.191 32.639 32.500 -0.088 0.000 0.830 151 K HN 0.536 nan 8.250 nan 0.000 0.470 152 R N 0.614 121.072 120.500 -0.071 0.000 2.747 152 R HA 0.200 4.540 4.340 -0.000 0.000 0.278 152 R C 0.050 176.327 176.300 -0.039 0.000 1.153 152 R CA -0.460 55.608 56.100 -0.054 0.000 1.206 152 R CB 0.400 30.666 30.300 -0.057 0.000 1.161 152 R HN 0.029 nan 8.270 nan 0.000 0.589 153 K N -0.003 120.379 120.400 -0.030 0.000 2.240 153 K HA 0.102 4.422 4.320 -0.000 0.000 0.202 153 K C 0.513 177.095 176.600 -0.029 0.000 1.053 153 K CA 0.589 56.859 56.287 -0.029 0.000 0.973 153 K CB 0.243 32.728 32.500 -0.025 0.000 0.924 153 K HN 0.492 nan 8.250 nan 0.000 0.477 154 V N 1.843 121.745 119.914 -0.021 0.000 2.963 154 V HA 0.049 4.169 4.120 -0.000 0.000 0.306 154 V C 1.187 177.253 176.094 -0.046 0.000 1.077 154 V CA -0.184 62.105 62.300 -0.019 0.000 1.124 154 V CB 0.852 32.685 31.823 0.017 0.000 0.987 154 V HN 0.174 nan 8.190 nan 0.000 0.487 155 K N 0.098 120.430 120.400 -0.113 0.000 2.057 155 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 155 K C 0.704 177.184 176.600 -0.199 0.000 1.050 155 K CA 1.016 57.177 56.287 -0.211 0.000 0.935 155 K CB -0.105 32.176 32.500 -0.365 0.000 0.715 155 K HN 0.768 nan 8.250 nan 0.000 0.439 156 H N -0.048 119.052 119.070 0.050 0.000 2.511 156 H HA 0.204 4.760 4.556 -0.000 0.000 0.346 156 H C -0.085 175.304 175.328 0.101 0.000 1.128 156 H CA -0.106 55.997 56.048 0.093 0.000 1.342 156 H CB 0.862 30.673 29.762 0.082 0.000 1.470 156 H HN -0.006 nan 8.280 nan 0.000 0.546 157 I N 2.596 123.346 120.570 0.300 0.000 2.339 157 I HA 0.053 4.223 4.170 -0.000 0.000 0.290 157 I C 0.200 176.411 176.117 0.157 0.000 0.994 157 I CA -0.618 60.816 61.300 0.223 0.000 1.191 157 I CB 0.807 38.966 38.000 0.265 0.000 1.343 157 I HN 0.481 nan 8.210 nan 0.000 0.458 158 Y N 6.101 126.340 120.300 -0.101 0.000 2.702 158 Y HA -0.044 4.506 4.550 -0.000 0.000 0.336 158 Y C 1.514 176.979 175.900 -0.725 0.000 1.235 158 Y CA -0.005 57.923 58.100 -0.286 0.000 1.492 158 Y CB 1.232 39.599 38.460 -0.155 0.000 1.308 158 Y HN 0.515 nan 8.280 nan 0.000 0.589 159 V N 4.668 123.518 119.914 -1.772 0.000 2.720 159 V HA -0.144 3.976 4.120 -0.000 0.000 0.256 159 V C 1.806 177.043 176.094 -1.428 0.000 1.082 159 V CA 2.243 63.084 62.300 -2.431 0.000 1.101 159 V CB -1.263 29.286 31.823 -2.124 0.000 0.693 159 V HN 1.060 nan 8.190 nan 0.000 0.479 160 G N 0.735 108.732 108.800 -1.338 0.000 2.442 160 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 160 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 160 G C 1.296 176.220 174.900 0.041 0.000 1.141 160 G CA 1.056 45.941 45.100 -0.359 0.000 0.763 160 G HN 0.603 nan 8.290 nan 0.000 0.554 161 N N -0.385 118.332 118.700 0.029 0.000 2.463 161 N HA -0.003 4.737 4.740 -0.000 0.000 0.181 161 N C 1.591 177.253 175.510 0.254 0.000 1.078 161 N CA 0.286 53.529 53.050 0.322 0.000 0.902 161 N CB -0.147 38.485 38.487 0.241 0.000 0.970 161 N HN 0.450 nan 8.380 nan 0.000 0.451 162 W N 0.580 121.734 121.300 -0.245 0.000 2.379 162 W HA 0.065 4.725 4.660 -0.000 0.000 0.307 162 W C 1.699 177.994 176.519 -0.373 0.000 1.200 162 W CA 0.185 57.153 57.345 -0.628 0.000 1.297 162 W CB -1.387 27.113 29.460 -1.599 0.000 1.140 162 W HN 0.021 nan 8.180 nan 0.000 0.507 163 F N -0.887 119.100 119.950 0.063 0.000 2.084 163 F HA -0.174 4.353 4.527 -0.000 0.000 0.296 163 F C 2.290 178.157 175.800 0.112 0.000 1.111 163 F CA 1.340 59.435 58.000 0.158 0.000 1.224 163 F CB -1.384 37.609 39.000 -0.011 0.000 0.991 163 F HN -0.301 nan 8.300 nan 0.000 0.471 164 F N 0.600 120.687 119.950 0.229 0.000 2.065 164 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 164 F C 2.637 178.330 175.800 -0.177 0.000 1.112 164 F CA 1.434 59.434 58.000 0.001 0.000 1.212 164 F CB -1.484 37.388 39.000 -0.213 0.000 0.975 164 F HN -0.025 nan 8.300 nan 0.000 0.476 165 G N -0.528 108.294 108.800 0.036 0.000 2.529 165 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 165 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 165 G C 1.904 176.955 174.900 0.252 0.000 1.177 165 G CA 1.456 46.556 45.100 -0.000 0.000 0.773 165 G HN 0.534 nan 8.290 nan 0.000 0.573 166 A N 0.853 123.856 122.820 0.305 0.000 1.851 166 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 166 A C 2.229 179.988 177.584 0.292 0.000 1.195 166 A CA 2.049 54.274 52.037 0.314 0.000 0.622 166 A CB -0.892 18.338 19.000 0.384 0.000 0.831 166 A HN 0.762 nan 8.150 nan 0.000 0.444 167 F N 0.872 120.981 119.950 0.264 0.000 2.085 167 F HA -0.280 4.247 4.527 -0.000 0.000 0.299 167 F C 1.832 177.768 175.800 0.226 0.000 1.096 167 F CA 2.100 60.251 58.000 0.252 0.000 1.227 167 F CB -0.525 38.562 39.000 0.146 0.000 0.983 167 F HN 0.218 nan 8.300 nan 0.000 0.482 168 I N 0.089 120.387 120.570 -0.454 0.000 2.142 168 I HA -0.311 3.859 4.170 -0.000 0.000 0.240 168 I C 2.513 178.675 176.117 0.075 0.000 1.078 168 I CA 1.555 62.600 61.300 -0.426 0.000 1.343 168 I CB -0.619 37.046 38.000 -0.559 0.000 1.046 168 I HN 0.228 nan 8.210 nan 0.000 0.405 169 L N -0.188 121.093 121.223 0.098 0.000 1.994 169 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 169 L C 2.773 179.657 176.870 0.023 0.000 1.071 169 L CA 2.127 57.013 54.840 0.077 0.000 0.745 169 L CB -0.891 41.199 42.059 0.052 0.000 0.892 169 L HN 0.329 nan 8.230 nan 0.000 0.431 170 T N -1.239 113.262 114.554 -0.089 0.000 2.867 170 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 170 T C 1.854 176.418 174.700 -0.226 0.000 1.057 170 T CA 1.163 63.099 62.100 -0.273 0.000 1.136 170 T CB -0.063 68.332 68.868 -0.788 0.000 0.874 170 T HN 0.067 nan 8.240 nan 0.000 0.466 171 V N 1.704 121.541 119.914 -0.127 0.000 2.343 171 V HA -0.076 4.044 4.120 -0.000 0.000 0.247 171 V C 3.070 179.073 176.094 -0.151 0.000 1.051 171 V CA 1.790 64.013 62.300 -0.128 0.000 1.036 171 V CB -1.340 30.409 31.823 -0.122 0.000 0.654 171 V HN 0.657 nan 8.190 nan 0.000 0.451 172 A N 0.073 122.870 122.820 -0.039 0.000 1.883 172 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 172 A C 2.144 179.807 177.584 0.132 0.000 1.186 172 A CA 2.199 54.289 52.037 0.088 0.000 0.624 172 A CB -0.564 18.620 19.000 0.306 0.000 0.822 172 A HN 0.515 nan 8.150 nan 0.000 0.444 173 I N -0.897 119.737 120.570 0.107 0.000 2.099 173 I HA -0.254 3.916 4.170 -0.000 0.000 0.239 173 I C 2.319 178.572 176.117 0.227 0.000 1.066 173 I CA 0.985 62.381 61.300 0.161 0.000 1.324 173 I CB -0.560 37.533 38.000 0.156 0.000 1.037 173 I HN 0.208 nan 8.210 nan 0.000 0.401 174 L N 0.588 121.862 121.223 0.086 0.000 2.011 174 L HA -0.340 4.000 4.340 -0.000 0.000 0.225 174 L C 2.698 179.743 176.870 0.292 0.000 1.084 174 L CA 2.354 57.174 54.840 -0.034 0.000 0.791 174 L CB -1.521 40.361 42.059 -0.295 0.000 0.898 174 L HN 0.373 nan 8.230 nan 0.000 0.440 175 H N -1.365 117.801 119.070 0.159 0.000 2.321 175 H HA -0.116 4.440 4.556 -0.000 0.000 0.300 175 H C 2.078 177.466 175.328 0.100 0.000 1.087 175 H CA 2.074 58.217 56.048 0.159 0.000 1.319 175 H CB -0.157 29.607 29.762 0.002 0.000 1.379 175 H HN 0.084 nan 8.280 nan 0.000 0.501 176 V N -0.329 119.616 119.914 0.052 0.000 2.261 176 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 176 V C 2.644 178.757 176.094 0.032 0.000 1.047 176 V CA 1.555 63.855 62.300 0.000 0.000 1.015 176 V CB -0.689 31.202 31.823 0.112 0.000 0.642 176 V HN 0.339 nan 8.190 nan 0.000 0.446 177 V N 0.681 120.696 119.914 0.170 0.000 2.255 177 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 177 V C 2.244 178.489 176.094 0.253 0.000 1.051 177 V CA 2.603 65.046 62.300 0.238 0.000 1.018 177 V CB -0.875 31.160 31.823 0.354 0.000 0.641 177 V HN 0.701 nan 8.190 nan 0.000 0.445 178 N N 0.052 118.878 118.700 0.211 0.000 2.512 178 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 178 N C 0.783 176.245 175.510 -0.078 0.000 1.073 178 N CA 0.727 53.818 53.050 0.068 0.000 0.911 178 N CB 0.022 38.377 38.487 -0.220 0.000 0.964 178 N HN 0.467 nan 8.380 nan 0.000 0.447 179 N N 0.381 118.992 118.700 -0.147 0.000 2.234 179 N HA 0.183 4.923 4.740 -0.000 0.000 0.227 179 N C -0.670 174.772 175.510 -0.114 0.000 1.151 179 N CA -0.087 52.847 53.050 -0.193 0.000 0.865 179 N CB 0.445 38.710 38.487 -0.371 0.000 1.066 179 N HN 0.170 nan 8.380 nan 0.000 0.515 180 L N 2.255 123.436 121.223 -0.071 0.000 2.500 180 L HA 0.099 4.439 4.340 -0.000 0.000 0.272 180 L C 0.374 177.128 176.870 -0.195 0.000 1.149 180 L CA 0.436 55.203 54.840 -0.122 0.000 0.897 180 L CB -0.026 41.960 42.059 -0.122 0.000 1.178 180 L HN 0.247 nan 8.230 nan 0.000 0.473 181 E N 4.135 124.240 120.200 -0.159 0.000 2.347 181 E HA 0.368 4.718 4.350 -0.000 0.000 0.285 181 E C -1.095 175.399 176.600 -0.176 0.000 0.925 181 E CA -0.840 55.474 56.400 -0.144 0.000 0.779 181 E CB 1.614 31.266 29.700 -0.080 0.000 1.233 181 E HN 0.363 nan 8.360 nan 0.000 0.414 182 I N 3.110 123.590 120.570 -0.149 0.000 2.517 182 I HA 0.154 4.323 4.170 -0.000 0.000 0.285 182 I C -2.085 173.870 176.117 -0.269 0.000 1.106 182 I CA -1.775 59.414 61.300 -0.184 0.000 1.402 182 I CB 0.417 38.364 38.000 -0.089 0.000 1.399 182 I HN 0.269 nan 8.210 nan 0.000 0.535 183 P HA 0.082 nan 4.420 nan 0.000 0.276 183 P C 0.445 177.556 177.300 -0.316 0.000 1.230 183 P CA -0.136 62.558 63.100 -0.677 0.000 0.776 183 P CB 1.243 32.095 31.700 -1.415 0.000 0.888 184 V N 1.567 121.378 119.914 -0.172 0.000 2.627 184 V HA 0.072 4.192 4.120 -0.000 0.000 0.239 184 V C 1.238 177.330 176.094 -0.004 0.000 1.077 184 V CA 1.859 64.112 62.300 -0.079 0.000 1.103 184 V CB -0.482 31.278 31.823 -0.105 0.000 0.802 184 V HN 0.666 nan 8.190 nan 0.000 0.482 185 T N -3.505 111.096 114.554 0.078 0.000 2.645 185 T HA 0.703 5.053 4.350 -0.000 0.000 0.273 185 T C 1.172 176.055 174.700 0.305 0.000 0.960 185 T CA 0.160 62.342 62.100 0.137 0.000 1.051 185 T CB 1.485 70.404 68.868 0.085 0.000 1.366 185 T HN 0.143 nan 8.240 nan 0.000 0.536 186 A N 0.415 123.336 122.820 0.169 0.000 1.873 186 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 186 A C 1.771 179.258 177.584 -0.162 0.000 1.193 186 A CA 1.584 53.651 52.037 0.050 0.000 0.629 186 A CB -0.804 18.132 19.000 -0.106 0.000 0.826 186 A HN 0.683 nan 8.150 nan 0.000 0.447 187 M N -0.904 118.599 119.600 -0.163 0.000 2.876 187 M HA 0.326 4.806 4.480 -0.000 0.000 0.367 187 M C -0.539 175.778 176.300 0.028 0.000 1.242 187 M CA 0.238 55.372 55.300 -0.277 0.000 0.889 187 M CB 0.459 32.616 32.600 -0.738 0.000 1.353 187 M HN 0.059 nan 8.290 nan 0.000 0.511 188 K N 1.583 122.080 120.400 0.161 0.000 2.581 188 K HA 0.500 4.820 4.320 -0.000 0.000 0.249 188 K C -1.049 175.583 176.600 0.053 0.000 0.966 188 K CA 0.149 56.485 56.287 0.082 0.000 0.811 188 K CB 2.236 34.735 32.500 -0.002 0.000 1.223 188 K HN 0.315 nan 8.250 nan 0.000 0.438 189 S N 2.252 117.931 115.700 -0.036 0.000 2.599 189 S HA 0.648 5.118 4.470 -0.000 0.000 0.287 189 S C -1.002 173.426 174.600 -0.286 0.000 1.105 189 S CA -0.737 57.378 58.200 -0.142 0.000 0.899 189 S CB 1.267 64.484 63.200 0.028 0.000 1.100 189 S HN 0.407 nan 8.310 nan 0.000 0.482 190 Y N 0.857 121.137 120.300 -0.033 0.000 2.377 190 Y HA 0.560 5.110 4.550 -0.000 0.000 0.339 190 Y C 1.069 176.918 175.900 -0.085 0.000 1.011 190 Y CA -0.723 57.352 58.100 -0.043 0.000 1.093 190 Y CB 1.911 40.343 38.460 -0.047 0.000 1.201 190 Y HN 0.856 nan 8.280 nan 0.000 0.455 191 S N 3.180 118.940 115.700 0.100 0.000 2.558 191 S HA -0.042 4.428 4.470 -0.000 0.000 0.291 191 S C 1.236 175.745 174.600 -0.151 0.000 1.306 191 S CA -0.362 57.819 58.200 -0.032 0.000 1.056 191 S CB 0.370 63.589 63.200 0.032 0.000 0.836 191 S HN 0.860 nan 8.310 nan 0.000 0.504 192 L N 3.720 124.693 121.223 -0.417 0.000 2.131 192 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 192 L C -0.034 176.530 176.870 -0.510 0.000 1.092 192 L CA 1.170 55.663 54.840 -0.578 0.000 0.759 192 L CB -0.134 41.359 42.059 -0.942 0.000 0.903 192 L HN 0.748 nan 8.230 nan 0.000 0.435 193 Y N -1.203 119.089 120.300 -0.013 0.000 2.519 193 Y HA 0.644 5.194 4.550 -0.000 0.000 0.324 193 Y C 0.267 176.163 175.900 -0.007 0.000 1.214 193 Y CA -0.796 57.296 58.100 -0.013 0.000 1.260 193 Y CB 0.854 39.304 38.460 -0.015 0.000 1.311 193 Y HN -0.125 nan 8.280 nan 0.000 0.505 194 A N -0.163 122.755 122.820 0.163 0.000 2.594 194 A HA 0.736 5.056 4.320 -0.000 0.000 0.291 194 A C 0.324 177.959 177.584 0.085 0.000 1.105 194 A CA -0.355 51.736 52.037 0.090 0.000 0.694 194 A CB 0.631 19.654 19.000 0.039 0.000 1.291 194 A HN 1.436 nan 8.150 nan 0.000 0.410 195 G N 0.268 109.109 108.800 0.069 0.000 2.652 195 G HA2 0.031 3.991 3.960 -0.000 0.000 0.318 195 G HA3 0.031 3.991 3.960 -0.000 0.000 0.318 195 G C 1.461 176.404 174.900 0.072 0.000 1.295 195 G CA 2.144 47.283 45.100 0.067 0.000 0.999 195 G HN 2.319 nan 8.290 nan 0.000 0.548 196 A N -1.867 120.989 122.820 0.060 0.000 1.940 196 A HA 0.052 4.372 4.320 -0.000 0.000 0.219 196 A C 2.624 180.226 177.584 0.030 0.000 1.176 196 A CA 3.292 55.357 52.037 0.047 0.000 0.631 196 A CB -1.067 17.951 19.000 0.030 0.000 0.814 196 A HN 1.224 nan 8.150 nan 0.000 0.446 197 T N -0.325 114.247 114.554 0.030 0.000 2.737 197 T HA -0.138 4.211 4.350 -0.000 0.000 0.265 197 T C 1.716 176.392 174.700 -0.040 0.000 1.038 197 T CA 1.522 63.619 62.100 -0.006 0.000 1.144 197 T CB -0.438 68.450 68.868 0.033 0.000 0.866 197 T HN 0.545 nan 8.240 nan 0.000 0.434 198 D N 1.226 121.660 120.400 0.056 0.000 2.123 198 D HA -0.056 4.584 4.640 -0.000 0.000 0.196 198 D C 2.273 178.587 176.300 0.023 0.000 0.992 198 D CA 1.284 55.330 54.000 0.077 0.000 0.833 198 D CB -0.428 40.461 40.800 0.148 0.000 0.954 198 D HN 0.338 nan 8.370 nan 0.000 0.455 199 A N 0.247 123.108 122.820 0.068 0.000 1.892 199 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 199 A C 2.290 179.964 177.584 0.150 0.000 1.188 199 A CA 1.677 53.798 52.037 0.140 0.000 0.631 199 A CB -0.550 18.560 19.000 0.183 0.000 0.822 199 A HN 0.253 nan 8.150 nan 0.000 0.447 200 M N -0.549 119.090 119.600 0.066 0.000 2.077 200 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 200 M C 2.256 178.591 176.300 0.058 0.000 1.070 200 M CA 1.460 56.794 55.300 0.056 0.000 1.125 200 M CB -0.881 31.693 32.600 -0.043 0.000 1.339 200 M HN 0.277 nan 8.290 nan 0.000 0.409 201 V N 0.658 120.512 119.914 -0.099 0.000 2.380 201 V HA -0.302 3.818 4.120 -0.000 0.000 0.251 201 V C 2.386 178.559 176.094 0.132 0.000 1.063 201 V CA 2.144 64.384 62.300 -0.099 0.000 1.055 201 V CB -1.044 30.423 31.823 -0.593 0.000 0.657 201 V HN 0.498 nan 8.190 nan 0.000 0.455 202 Q N -0.424 119.358 119.800 -0.030 0.000 2.050 202 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 202 Q C 1.827 177.660 176.000 -0.278 0.000 0.980 202 Q CA 2.240 57.914 55.803 -0.215 0.000 0.840 202 Q CB -0.476 28.001 28.738 -0.435 0.000 0.898 202 Q HN 0.740 nan 8.270 nan 0.000 0.424 203 W N -1.380 120.003 121.300 0.138 0.000 2.863 203 W HA 0.109 4.769 4.660 -0.000 0.000 0.258 203 W C 1.589 178.172 176.519 0.106 0.000 1.298 203 W CA -0.271 57.084 57.345 0.017 0.000 1.451 203 W CB -0.300 29.111 29.460 -0.082 0.000 1.107 203 W HN 0.337 nan 8.180 nan 0.000 0.641 204 W N 0.167 121.574 121.300 0.179 0.000 2.355 204 W HA -0.295 4.365 4.660 -0.000 0.000 0.309 204 W C 2.411 179.044 176.519 0.190 0.000 1.206 204 W CA 2.102 59.537 57.345 0.149 0.000 1.284 204 W CB -1.196 28.295 29.460 0.051 0.000 1.145 204 W HN 0.079 nan 8.180 nan 0.000 0.502 205 Y N 1.076 121.307 120.300 -0.115 0.000 2.145 205 Y HA -0.054 4.496 4.550 -0.000 0.000 0.286 205 Y C 2.468 178.266 175.900 -0.170 0.000 1.145 205 Y CA 2.822 60.706 58.100 -0.359 0.000 1.148 205 Y CB -0.964 37.413 38.460 -0.139 0.000 0.981 205 Y HN -0.017 nan 8.280 nan 0.000 0.507 206 G N -1.188 107.632 108.800 0.034 0.000 2.446 206 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.217 206 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.217 206 G C 1.433 176.413 174.900 0.133 0.000 1.168 206 G CA 1.362 46.499 45.100 0.062 0.000 0.771 206 G HN 0.615 nan 8.290 nan 0.000 0.551 207 H N 0.850 120.030 119.070 0.183 0.000 2.333 207 H HA 0.057 4.613 4.556 -0.000 0.000 0.302 207 H C 2.365 177.754 175.328 0.102 0.000 1.075 207 H CA 1.588 57.810 56.048 0.289 0.000 1.348 207 H CB -0.089 29.926 29.762 0.422 0.000 1.393 207 H HN 0.199 nan 8.280 nan 0.000 0.509 208 N N 0.574 119.302 118.700 0.047 0.000 2.520 208 N HA -0.081 4.659 4.740 -0.000 0.000 0.185 208 N C 1.765 177.220 175.510 -0.092 0.000 1.068 208 N CA 0.793 53.853 53.050 0.018 0.000 0.911 208 N CB -0.207 38.259 38.487 -0.035 0.000 0.961 208 N HN 0.526 nan 8.380 nan 0.000 0.446 209 A N 0.967 123.591 122.820 -0.327 0.000 1.845 209 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 209 A C 2.410 179.894 177.584 -0.167 0.000 1.195 209 A CA 2.006 53.848 52.037 -0.326 0.000 0.616 209 A CB -0.968 17.701 19.000 -0.551 0.000 0.832 209 A HN 0.199 nan 8.150 nan 0.000 0.443 210 V N -1.334 118.414 119.914 -0.276 0.000 2.667 210 V HA 0.069 4.189 4.120 -0.000 0.000 0.252 210 V C 2.155 178.079 176.094 -0.284 0.000 1.065 210 V CA 2.068 64.235 62.300 -0.222 0.000 1.083 210 V CB -1.284 30.409 31.823 -0.216 0.000 0.692 210 V HN 0.443 nan 8.190 nan 0.000 0.468 211 G N -0.505 107.932 108.800 -0.606 0.000 2.422 211 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 211 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 211 G C 1.265 175.647 174.900 -0.862 0.000 1.146 211 G CA 1.397 45.722 45.100 -1.293 0.000 0.769 211 G HN 0.596 nan 8.290 nan 0.000 0.547 212 F N -2.193 117.655 119.950 -0.169 0.000 2.557 212 F HA 0.389 4.916 4.527 -0.000 0.000 0.278 212 F C 1.962 177.927 175.800 0.275 0.000 1.051 212 F CA -0.644 57.412 58.000 0.093 0.000 1.357 212 F CB -0.181 38.894 39.000 0.125 0.000 1.104 212 F HN 0.055 nan 8.300 nan 0.000 0.654 213 F N 0.757 120.897 119.950 0.317 0.000 2.113 213 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 213 F C 1.762 177.618 175.800 0.093 0.000 1.103 213 F CA 1.780 59.930 58.000 0.250 0.000 1.248 213 F CB -0.081 39.017 39.000 0.162 0.000 0.999 213 F HN -0.206 nan 8.300 nan 0.000 0.475 214 L N -1.707 119.701 121.223 0.309 0.000 2.554 214 L HA 0.064 4.404 4.340 -0.000 0.000 0.225 214 L C 1.503 178.557 176.870 0.306 0.000 1.104 214 L CA 0.437 55.406 54.840 0.215 0.000 0.866 214 L CB -0.310 41.745 42.059 -0.006 0.000 1.047 214 L HN 0.110 nan 8.230 nan 0.000 0.468 215 T N -0.478 114.226 114.554 0.251 0.000 3.348 215 T HA 0.177 4.527 4.350 -0.000 0.000 0.233 215 T C 1.967 176.811 174.700 0.240 0.000 0.960 215 T CA 0.619 62.934 62.100 0.358 0.000 1.343 215 T CB -0.125 68.892 68.868 0.248 0.000 1.068 215 T HN 0.184 nan 8.240 nan 0.000 0.410 216 A N 1.665 124.551 122.820 0.110 0.000 1.869 216 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 216 A C 2.521 180.134 177.584 0.049 0.000 1.203 216 A CA 2.437 54.619 52.037 0.241 0.000 0.638 216 A CB -1.638 17.556 19.000 0.324 0.000 0.831 216 A HN 0.545 nan 8.150 nan 0.000 0.450 217 G N -1.925 106.752 108.800 -0.206 0.000 2.469 217 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 217 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 217 G C 1.323 175.693 174.900 -0.883 0.000 1.136 217 G CA 1.211 45.768 45.100 -0.906 0.000 0.759 217 G HN 0.461 nan 8.290 nan 0.000 0.562 218 F N 0.055 119.731 119.950 -0.457 0.000 2.569 218 F HA 0.311 4.838 4.527 -0.000 0.000 0.295 218 F C 2.460 178.134 175.800 -0.209 0.000 1.115 218 F CA 0.099 57.865 58.000 -0.390 0.000 1.450 218 F CB 0.051 38.753 39.000 -0.497 0.000 1.107 218 F HN 0.008 nan 8.300 nan 0.000 0.563 219 L N -0.605 120.621 121.223 0.004 0.000 2.093 219 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 219 L C 2.755 179.465 176.870 -0.265 0.000 1.085 219 L CA 1.263 55.982 54.840 -0.202 0.000 0.755 219 L CB -1.338 40.370 42.059 -0.585 0.000 0.904 219 L HN 0.248 nan 8.230 nan 0.000 0.435 220 G N 0.796 109.313 108.800 -0.472 0.000 2.476 220 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 220 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 220 G C 1.535 176.259 174.900 -0.294 0.000 1.164 220 G CA 1.012 45.675 45.100 -0.729 0.000 0.768 220 G HN 0.292 nan 8.290 nan 0.000 0.560 221 I N 0.320 120.730 120.570 -0.267 0.000 2.127 221 I HA -0.257 3.913 4.170 -0.000 0.000 0.241 221 I C 2.837 179.142 176.117 0.313 0.000 1.075 221 I CA 1.669 63.100 61.300 0.218 0.000 1.334 221 I CB -0.433 37.564 38.000 -0.005 0.000 1.040 221 I HN 0.209 nan 8.210 nan 0.000 0.405 222 M N 0.273 119.942 119.600 0.116 0.000 2.106 222 M HA -0.294 4.186 4.480 -0.000 0.000 0.259 222 M C 2.410 178.728 176.300 0.031 0.000 1.068 222 M CA 2.215 57.555 55.300 0.066 0.000 1.100 222 M CB -0.436 32.145 32.600 -0.031 0.000 1.351 222 M HN 0.181 nan 8.290 nan 0.000 0.404 223 Y N -1.386 118.946 120.300 0.054 0.000 2.352 223 Y HA -0.271 4.279 4.550 -0.000 0.000 0.292 223 Y C 2.209 178.277 175.900 0.280 0.000 1.136 223 Y CA 1.680 59.832 58.100 0.087 0.000 1.227 223 Y CB -0.247 38.162 38.460 -0.085 0.000 0.991 223 Y HN 0.362 nan 8.280 nan 0.000 0.545 224 Y N -1.190 119.288 120.300 0.297 0.000 2.201 224 Y HA -0.133 4.417 4.550 -0.000 0.000 0.292 224 Y C 1.689 177.491 175.900 -0.165 0.000 1.119 224 Y CA 1.279 59.407 58.100 0.046 0.000 1.127 224 Y CB -0.728 37.646 38.460 -0.143 0.000 1.019 224 Y HN -0.013 nan 8.280 nan 0.000 0.514 225 F N -0.866 119.087 119.950 0.006 0.000 2.206 225 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 225 F C 2.350 178.033 175.800 -0.194 0.000 1.090 225 F CA 1.292 59.179 58.000 -0.189 0.000 1.323 225 F CB -0.905 38.059 39.000 -0.060 0.000 1.028 225 F HN -0.130 nan 8.300 nan 0.000 0.492 226 V N 1.053 120.992 119.914 0.042 0.000 2.231 226 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 226 V C -0.351 175.686 176.094 -0.094 0.000 1.054 226 V CA 2.276 64.556 62.300 -0.033 0.000 1.015 226 V CB -1.754 30.032 31.823 -0.063 0.000 0.638 226 V HN 0.185 nan 8.190 nan 0.000 0.444 227 P HA -0.102 nan 4.420 nan 0.000 0.219 227 P C 1.545 178.726 177.300 -0.197 0.000 1.150 227 P CA 1.182 64.206 63.100 -0.127 0.000 0.814 227 P CB 0.021 31.671 31.700 -0.084 0.000 0.787 228 K N -0.123 120.066 120.400 -0.352 0.000 2.097 228 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 228 K C 2.293 178.825 176.600 -0.113 0.000 1.050 228 K CA 1.373 57.433 56.287 -0.379 0.000 0.938 228 K CB -0.640 31.333 32.500 -0.879 0.000 0.718 228 K HN -0.117 nan 8.250 nan 0.000 0.442 229 Q N -0.330 119.428 119.800 -0.069 0.000 2.062 229 Q HA 0.133 4.473 4.340 -0.000 0.000 0.196 229 Q C 1.774 177.769 176.000 -0.009 0.000 0.967 229 Q CA 1.843 57.691 55.803 0.074 0.000 0.832 229 Q CB -0.377 28.433 28.738 0.120 0.000 0.899 229 Q HN 0.304 nan 8.270 nan 0.000 0.442 230 A N 0.097 122.876 122.820 -0.069 0.000 2.014 230 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 230 A C 0.308 177.839 177.584 -0.089 0.000 1.163 230 A CA 1.046 53.017 52.037 -0.110 0.000 0.652 230 A CB -0.338 18.569 19.000 -0.154 0.000 0.808 230 A HN 0.552 nan 8.150 nan 0.000 0.449 231 E N -1.108 119.047 120.200 -0.074 0.000 2.320 231 E HA -0.177 4.173 4.350 -0.000 0.000 0.234 231 E C -0.380 176.188 176.600 -0.053 0.000 1.183 231 E CA 0.430 56.795 56.400 -0.059 0.000 0.713 231 E CB -0.783 28.898 29.700 -0.032 0.000 1.226 231 E HN 0.561 nan 8.360 nan 0.000 0.382 232 R N -0.152 120.311 120.500 -0.062 0.000 2.919 232 R HA 0.558 4.898 4.340 -0.000 0.000 0.260 232 R C -2.370 173.915 176.300 -0.024 0.000 1.067 232 R CA -1.845 54.231 56.100 -0.040 0.000 1.003 232 R CB 0.692 30.960 30.300 -0.053 0.000 1.192 232 R HN -0.052 nan 8.270 nan 0.000 0.488 233 P HA 0.197 nan 4.420 nan 0.000 0.281 233 P C -0.324 177.021 177.300 0.075 0.000 1.249 233 P CA -0.545 62.572 63.100 0.029 0.000 0.810 233 P CB 0.693 32.412 31.700 0.033 0.000 1.008 234 V N 3.178 123.161 119.914 0.115 0.000 2.390 234 V HA -0.071 4.049 4.120 -0.000 0.000 0.260 234 V C 0.640 176.855 176.094 0.201 0.000 1.043 234 V CA -0.261 62.150 62.300 0.185 0.000 1.047 234 V CB -1.667 30.328 31.823 0.286 0.000 1.066 234 V HN 0.463 nan 8.190 nan 0.000 0.481 235 Y N 5.332 125.683 120.300 0.084 0.000 2.865 235 Y HA 0.066 4.616 4.550 -0.000 0.000 0.338 235 Y C 1.026 177.003 175.900 0.129 0.000 1.269 235 Y CA 1.596 59.748 58.100 0.088 0.000 1.585 235 Y CB -0.035 38.461 38.460 0.060 0.000 1.224 235 Y HN 0.925 nan 8.280 nan 0.000 0.554 236 S N 4.941 120.413 115.700 -0.380 0.000 3.385 236 S HA -0.281 4.189 4.470 -0.000 0.000 0.613 236 S C 0.224 174.869 174.600 0.075 0.000 0.653 236 S CA 0.589 58.644 58.200 -0.242 0.000 1.401 236 S CB -1.231 61.728 63.200 -0.400 0.000 1.031 236 S HN 0.958 nan 8.310 nan 0.000 0.883 237 Y N 6.268 126.569 120.300 0.001 0.000 2.133 237 Y HA -0.063 4.487 4.550 -0.000 0.000 0.287 237 Y C 2.033 178.006 175.900 0.122 0.000 1.134 237 Y CA 2.193 60.329 58.100 0.060 0.000 1.133 237 Y CB -0.324 38.159 38.460 0.038 0.000 0.987 237 Y HN 0.771 nan 8.280 nan 0.000 0.502 238 R N -0.282 120.215 120.500 -0.005 0.000 2.113 238 R HA -0.239 4.101 4.340 -0.000 0.000 0.244 238 R C 2.153 178.466 176.300 0.022 0.000 1.142 238 R CA 1.824 57.890 56.100 -0.056 0.000 0.953 238 R CB -1.131 29.194 30.300 0.042 0.000 0.860 238 R HN 0.377 nan 8.270 nan 0.000 0.438 239 L N 1.292 122.569 121.223 0.090 0.000 2.043 239 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 239 L C 2.067 179.135 176.870 0.329 0.000 1.075 239 L CA 1.818 56.776 54.840 0.197 0.000 0.752 239 L CB -0.644 41.533 42.059 0.197 0.000 0.891 239 L HN 0.050 nan 8.230 nan 0.000 0.432 240 S N -0.229 115.650 115.700 0.298 0.000 2.365 240 S HA -0.227 4.243 4.470 -0.000 0.000 0.225 240 S C 1.881 176.713 174.600 0.387 0.000 1.039 240 S CA 1.929 60.362 58.200 0.388 0.000 1.033 240 S CB -0.564 62.672 63.200 0.059 0.000 0.887 240 S HN 0.452 nan 8.310 nan 0.000 0.447 241 I N 1.370 122.083 120.570 0.240 0.000 2.076 241 I HA -0.181 3.989 4.170 -0.000 0.000 0.237 241 I C 2.318 178.675 176.117 0.401 0.000 1.059 241 I CA 1.019 62.515 61.300 0.327 0.000 1.317 241 I CB -0.918 37.164 38.000 0.138 0.000 1.037 241 I HN 0.103 nan 8.210 nan 0.000 0.398 242 V N 1.128 121.219 119.914 0.295 0.000 2.219 242 V HA -0.410 3.710 4.120 -0.000 0.000 0.248 242 V C 2.573 178.860 176.094 0.321 0.000 1.053 242 V CA 2.620 65.088 62.300 0.279 0.000 1.009 242 V CB -1.401 30.551 31.823 0.215 0.000 0.636 242 V HN 0.624 nan 8.190 nan 0.000 0.445 243 H N -0.588 118.658 119.070 0.295 0.000 2.426 243 H HA -0.261 4.295 4.556 -0.000 0.000 0.298 243 H C 2.237 177.808 175.328 0.405 0.000 1.107 243 H CA 2.373 58.623 56.048 0.336 0.000 1.298 243 H CB -0.213 29.769 29.762 0.366 0.000 1.377 243 H HN 0.464 nan 8.280 nan 0.000 0.519 244 F N 0.482 120.325 119.950 -0.177 0.000 2.074 244 F HA -0.071 4.456 4.527 -0.000 0.000 0.293 244 F C 1.999 177.597 175.800 -0.336 0.000 1.116 244 F CA 1.504 59.231 58.000 -0.455 0.000 1.212 244 F CB -0.856 37.747 39.000 -0.661 0.000 0.998 244 F HN 0.081 nan 8.300 nan 0.000 0.471 245 W N 0.593 121.763 121.300 -0.217 0.000 2.358 245 W HA -0.059 4.601 4.660 -0.000 0.000 0.303 245 W C 2.675 179.090 176.519 -0.173 0.000 1.208 245 W CA 1.742 58.914 57.345 -0.289 0.000 1.274 245 W CB -1.066 28.355 29.460 -0.065 0.000 1.138 245 W HN 0.142 nan 8.180 nan 0.000 0.515 246 A N 0.115 123.034 122.820 0.165 0.000 1.883 246 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 246 A C 1.934 179.576 177.584 0.096 0.000 1.186 246 A CA 1.825 53.938 52.037 0.126 0.000 0.624 246 A CB -1.109 17.975 19.000 0.139 0.000 0.822 246 A HN 0.303 nan 8.150 nan 0.000 0.444 247 L N -0.883 120.387 121.223 0.077 0.000 1.994 247 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 247 L C 2.216 179.147 176.870 0.102 0.000 1.071 247 L CA 1.842 56.760 54.840 0.130 0.000 0.745 247 L CB -0.382 41.796 42.059 0.198 0.000 0.892 247 L HN 0.312 nan 8.230 nan 0.000 0.431 248 I N -0.819 119.684 120.570 -0.111 0.000 2.423 248 I HA -0.277 3.893 4.170 -0.000 0.000 0.254 248 I C 2.066 178.345 176.117 0.271 0.000 1.151 248 I CA 1.833 63.123 61.300 -0.016 0.000 1.421 248 I CB -0.464 37.213 38.000 -0.538 0.000 1.079 248 I HN 0.353 nan 8.210 nan 0.000 0.431 249 T N -1.697 112.994 114.554 0.229 0.000 3.021 249 T HA 0.065 4.415 4.350 -0.000 0.000 0.245 249 T C 1.896 176.830 174.700 0.389 0.000 1.028 249 T CA 0.764 63.054 62.100 0.317 0.000 1.139 249 T CB -0.018 68.997 68.868 0.244 0.000 0.884 249 T HN 0.035 nan 8.240 nan 0.000 0.457 250 V N 0.713 120.777 119.914 0.250 0.000 2.453 250 V HA -0.095 4.025 4.120 -0.000 0.000 0.247 250 V C 2.071 178.366 176.094 0.336 0.000 1.048 250 V CA 1.307 63.710 62.300 0.171 0.000 1.049 250 V CB -0.665 31.174 31.823 0.027 0.000 0.672 250 V HN 0.425 nan 8.190 nan 0.000 0.457 251 Y N 0.252 120.714 120.300 0.270 0.000 2.224 251 Y HA -0.178 4.372 4.550 -0.000 0.000 0.289 251 Y C 2.376 178.518 175.900 0.404 0.000 1.146 251 Y CA 0.966 59.237 58.100 0.285 0.000 1.182 251 Y CB -0.127 38.418 38.460 0.142 0.000 0.983 251 Y HN 0.120 nan 8.280 nan 0.000 0.524 252 I N -1.660 119.346 120.570 0.726 0.000 2.264 252 I HA -0.352 3.818 4.170 -0.000 0.000 0.248 252 I C 1.852 178.261 176.117 0.487 0.000 1.111 252 I CA 1.398 63.063 61.300 0.609 0.000 1.382 252 I CB -1.530 36.786 38.000 0.528 0.000 1.060 252 I HN 0.347 nan 8.210 nan 0.000 0.418 253 W N 1.066 122.527 121.300 0.268 0.000 2.468 253 W HA -0.019 4.641 4.660 -0.000 0.000 0.262 253 W C 2.517 179.076 176.519 0.067 0.000 1.241 253 W CA 1.024 58.470 57.345 0.167 0.000 1.232 253 W CB -0.701 28.831 29.460 0.119 0.000 1.124 253 W HN 0.089 nan 8.180 nan 0.000 0.597 254 A N 0.496 123.438 122.820 0.203 0.000 2.239 254 A HA 0.147 4.467 4.320 -0.000 0.000 0.209 254 A C 2.237 179.589 177.584 -0.388 0.000 1.171 254 A CA 1.228 53.186 52.037 -0.131 0.000 0.768 254 A CB -1.232 17.527 19.000 -0.403 0.000 0.790 254 A HN 0.283 nan 8.150 nan 0.000 0.478 255 G N 1.369 110.141 108.800 -0.047 0.000 2.631 255 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 255 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 255 G C -0.331 174.522 174.900 -0.078 0.000 1.214 255 G CA 1.441 46.575 45.100 0.056 0.000 0.785 255 G HN 0.511 nan 8.290 nan 0.000 0.596 256 P HA -0.065 nan 4.420 nan 0.000 0.226 256 P C 1.368 178.399 177.300 -0.448 0.000 1.146 256 P CA 1.284 64.265 63.100 -0.199 0.000 0.773 256 P CB -0.387 31.216 31.700 -0.162 0.000 0.772 257 H N -2.831 115.982 119.070 -0.428 0.000 2.545 257 H HA -0.069 4.487 4.556 -0.000 0.000 0.282 257 H C 1.332 176.172 175.328 -0.814 0.000 1.020 257 H CA 0.595 56.139 56.048 -0.839 0.000 1.243 257 H CB -0.733 28.743 29.762 -0.477 0.000 1.377 257 H HN 0.331 nan 8.280 nan 0.000 0.581 258 H N 1.170 119.976 119.070 -0.439 0.000 2.395 258 H HA 0.070 4.626 4.556 -0.000 0.000 0.299 258 H C 1.310 176.305 175.328 -0.554 0.000 1.070 258 H CA 0.801 56.531 56.048 -0.531 0.000 1.356 258 H CB 0.462 29.604 29.762 -1.034 0.000 1.401 258 H HN 0.351 nan 8.280 nan 0.000 0.524 259 L N 2.121 123.131 121.223 -0.356 0.000 2.978 259 L HA 0.107 4.447 4.340 -0.000 0.000 0.239 259 L C -0.106 176.604 176.870 -0.267 0.000 1.293 259 L CA -0.298 54.388 54.840 -0.256 0.000 1.085 259 L CB -0.216 41.798 42.059 -0.076 0.000 1.432 259 L HN 0.089 nan 8.230 nan 0.000 0.512 260 H N 0.042 118.887 119.070 -0.375 0.000 2.803 260 H HA 0.079 4.635 4.556 -0.000 0.000 0.330 260 H C 0.046 175.241 175.328 -0.222 0.000 1.057 260 H CA -0.097 55.745 56.048 -0.343 0.000 1.458 260 H CB 0.222 29.787 29.762 -0.328 0.000 1.470 260 H HN 0.178 nan 8.280 nan 0.000 0.560 261 Y N -0.832 119.465 120.300 -0.004 0.000 3.825 261 Y HA -0.344 4.206 4.550 -0.000 0.000 0.221 261 Y C 1.133 177.035 175.900 0.004 0.000 1.195 261 Y CA 0.802 58.893 58.100 -0.014 0.000 1.699 261 Y CB -1.651 36.803 38.460 -0.011 0.000 1.531 261 Y HN 0.677 nan 8.280 nan 0.000 0.640 262 T N -4.525 110.081 114.554 0.087 0.000 2.864 262 T HA 0.793 5.143 4.350 -0.000 0.000 0.276 262 T C 1.266 176.010 174.700 0.073 0.000 1.006 262 T CA -0.380 61.778 62.100 0.096 0.000 0.970 262 T CB 1.572 70.483 68.868 0.071 0.000 1.420 262 T HN 0.239 nan 8.240 nan 0.000 0.601 263 A N -0.486 122.379 122.820 0.075 0.000 2.167 263 A HA 0.310 4.630 4.320 -0.000 0.000 0.214 263 A C 1.051 178.648 177.584 0.021 0.000 1.151 263 A CA -0.001 52.069 52.037 0.056 0.000 0.735 263 A CB -1.021 18.019 19.000 0.066 0.000 0.802 263 A HN 0.727 nan 8.150 nan 0.000 0.467 264 L N 1.318 122.538 121.223 -0.005 0.000 2.540 264 L HA 0.196 4.536 4.340 -0.000 0.000 0.276 264 L C -2.330 174.465 176.870 -0.126 0.000 1.212 264 L CA -1.350 53.443 54.840 -0.078 0.000 0.893 264 L CB 0.015 42.009 42.059 -0.108 0.000 1.138 264 L HN 0.005 nan 8.230 nan 0.000 0.491 265 P HA -0.016 nan 4.420 nan 0.000 0.266 265 P C 0.053 177.192 177.300 -0.268 0.000 1.193 265 P CA -0.011 62.985 63.100 -0.173 0.000 0.770 265 P CB 0.483 32.071 31.700 -0.186 0.000 0.836 266 D N 1.738 122.088 120.400 -0.084 0.000 2.133 266 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 266 D C 1.892 178.163 176.300 -0.048 0.000 0.997 266 D CA 1.364 55.330 54.000 -0.057 0.000 0.840 266 D CB -0.335 40.482 40.800 0.029 0.000 0.947 266 D HN 0.609 nan 8.370 nan 0.000 0.452 267 W N 1.525 122.833 121.300 0.013 0.000 2.338 267 W HA -0.106 4.554 4.660 -0.000 0.000 0.304 267 W C 1.943 178.486 176.519 0.041 0.000 1.212 267 W CA 1.127 58.487 57.345 0.025 0.000 1.264 267 W CB -1.070 28.406 29.460 0.026 0.000 1.142 267 W HN -0.080 nan 8.180 nan 0.000 0.512 268 A N 1.531 123.773 122.820 -0.964 0.000 1.873 268 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 268 A C 2.170 179.572 177.584 -0.303 0.000 1.186 268 A CA 2.034 53.538 52.037 -0.888 0.000 0.616 268 A CB -1.143 17.095 19.000 -1.270 0.000 0.823 268 A HN 0.468 nan 8.150 nan 0.000 0.442 269 Q N -0.141 119.504 119.800 -0.258 0.000 2.062 269 Q HA -0.194 4.146 4.340 -0.000 0.000 0.209 269 Q C 2.531 178.568 176.000 0.061 0.000 0.996 269 Q CA 2.118 57.881 55.803 -0.067 0.000 0.859 269 Q CB -0.292 28.414 28.738 -0.053 0.000 0.920 269 Q HN 0.670 nan 8.270 nan 0.000 0.415 270 S N 0.724 116.435 115.700 0.019 0.000 2.353 270 S HA -0.156 4.314 4.470 -0.000 0.000 0.222 270 S C 1.871 176.533 174.600 0.104 0.000 1.035 270 S CA 0.952 59.181 58.200 0.049 0.000 1.025 270 S CB -0.349 62.881 63.200 0.050 0.000 0.902 270 S HN 0.171 nan 8.310 nan 0.000 0.440 271 L N 1.678 122.997 121.223 0.160 0.000 2.103 271 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 271 L C 2.423 179.431 176.870 0.231 0.000 1.080 271 L CA 1.926 56.920 54.840 0.258 0.000 0.764 271 L CB -1.438 40.857 42.059 0.394 0.000 0.890 271 L HN 0.419 nan 8.230 nan 0.000 0.435 272 G N -1.796 107.086 108.800 0.137 0.000 2.394 272 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.214 272 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.214 272 G C 1.641 176.604 174.900 0.106 0.000 1.176 272 G CA 0.797 45.949 45.100 0.086 0.000 0.786 272 G HN 0.387 nan 8.290 nan 0.000 0.533 273 M N 0.378 120.070 119.600 0.153 0.000 2.059 273 M HA -0.078 4.402 4.480 -0.000 0.000 0.259 273 M C 2.562 178.883 176.300 0.034 0.000 1.072 273 M CA 1.555 56.930 55.300 0.125 0.000 1.117 273 M CB -0.320 32.326 32.600 0.077 0.000 1.320 273 M HN 0.073 nan 8.290 nan 0.000 0.408 274 V N 1.314 121.244 119.914 0.027 0.000 2.278 274 V HA -0.362 3.758 4.120 -0.000 0.000 0.251 274 V C 2.617 178.687 176.094 -0.040 0.000 1.062 274 V CA 2.158 64.450 62.300 -0.013 0.000 1.038 274 V CB -0.664 31.154 31.823 -0.008 0.000 0.646 274 V HN 0.589 nan 8.190 nan 0.000 0.447 275 M N -0.968 118.624 119.600 -0.014 0.000 2.254 275 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 275 M C 2.413 178.681 176.300 -0.052 0.000 1.066 275 M CA 1.343 56.613 55.300 -0.050 0.000 1.123 275 M CB -0.914 31.700 32.600 0.023 0.000 1.388 275 M HN 0.369 nan 8.290 nan 0.000 0.425 276 S N 1.320 117.006 115.700 -0.023 0.000 2.370 276 S HA -0.083 4.387 4.470 -0.000 0.000 0.226 276 S C 2.012 176.534 174.600 -0.131 0.000 1.033 276 S CA 1.100 59.254 58.200 -0.078 0.000 1.011 276 S CB -0.347 62.843 63.200 -0.017 0.000 0.852 276 S HN 0.411 nan 8.310 nan 0.000 0.457 277 L N 0.324 121.485 121.223 -0.104 0.000 2.056 277 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 277 L C 2.206 178.998 176.870 -0.129 0.000 1.078 277 L CA 0.974 55.743 54.840 -0.118 0.000 0.749 277 L CB -0.502 41.501 42.059 -0.093 0.000 0.901 277 L HN 0.264 nan 8.230 nan 0.000 0.433 278 I N -0.413 120.089 120.570 -0.113 0.000 2.264 278 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 278 I C 2.295 178.345 176.117 -0.112 0.000 1.111 278 I CA 1.066 62.301 61.300 -0.109 0.000 1.382 278 I CB -0.322 37.610 38.000 -0.113 0.000 1.060 278 I HN 0.160 nan 8.210 nan 0.000 0.418 279 L N -0.042 121.103 121.223 -0.130 0.000 2.187 279 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 279 L C 2.227 179.007 176.870 -0.150 0.000 1.100 279 L CA 1.519 56.272 54.840 -0.145 0.000 0.765 279 L CB -0.706 41.200 42.059 -0.255 0.000 0.904 279 L HN 0.246 nan 8.230 nan 0.000 0.437 280 L N -1.063 120.033 121.223 -0.212 0.000 1.997 280 L HA -0.341 3.999 4.340 -0.000 0.000 0.216 280 L C 2.510 179.184 176.870 -0.327 0.000 1.074 280 L CA 1.845 56.475 54.840 -0.350 0.000 0.763 280 L CB -0.547 41.257 42.059 -0.425 0.000 0.890 280 L HN 0.402 nan 8.230 nan 0.000 0.434 281 A N 0.243 122.945 122.820 -0.196 0.000 1.842 281 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 281 A C -0.036 177.604 177.584 0.095 0.000 1.206 281 A CA 2.332 54.336 52.037 -0.054 0.000 0.630 281 A CB -2.183 16.803 19.000 -0.023 0.000 0.839 281 A HN 0.401 nan 8.150 nan 0.000 0.447 282 P HA -0.101 nan 4.420 nan 0.000 0.216 282 P C 1.726 179.260 177.300 0.390 0.000 1.150 282 P CA 1.807 65.072 63.100 0.276 0.000 0.843 282 P CB -0.167 31.665 31.700 0.221 0.000 0.787 283 S N -1.698 114.162 115.700 0.268 0.000 2.353 283 S HA -0.178 4.292 4.470 -0.000 0.000 0.222 283 S C 1.590 176.445 174.600 0.424 0.000 1.035 283 S CA 1.183 59.581 58.200 0.331 0.000 1.025 283 S CB -1.122 62.145 63.200 0.112 0.000 0.902 283 S HN 0.204 nan 8.310 nan 0.000 0.440 284 W N 1.807 123.131 121.300 0.039 0.000 2.374 284 W HA 0.109 4.769 4.660 -0.000 0.000 0.288 284 W C 2.549 179.051 176.519 -0.027 0.000 1.218 284 W CA 0.266 57.608 57.345 -0.006 0.000 1.245 284 W CB -1.476 27.952 29.460 -0.053 0.000 1.126 284 W HN 0.412 nan 8.180 nan 0.000 0.545 285 G N 0.160 109.085 108.800 0.208 0.000 2.485 285 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.221 285 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.221 285 G C 1.835 176.473 174.900 -0.437 0.000 1.115 285 G CA 1.369 46.479 45.100 0.017 0.000 0.751 285 G HN 0.405 nan 8.290 nan 0.000 0.567 286 G N 1.369 109.824 108.800 -0.575 0.000 2.434 286 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.214 286 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.214 286 G C 1.872 176.555 174.900 -0.360 0.000 1.202 286 G CA 1.514 46.225 45.100 -0.649 0.000 0.788 286 G HN 0.623 nan 8.290 nan 0.000 0.539 287 M N -0.438 119.082 119.600 -0.134 0.000 2.254 287 M HA 0.273 4.753 4.480 -0.000 0.000 0.265 287 M C 2.317 178.528 176.300 -0.148 0.000 1.066 287 M CA 1.295 56.511 55.300 -0.140 0.000 1.123 287 M CB -0.410 32.143 32.600 -0.078 0.000 1.388 287 M HN 0.139 nan 8.290 nan 0.000 0.425 288 I N 1.354 121.855 120.570 -0.116 0.000 2.142 288 I HA -0.287 3.883 4.170 -0.000 0.000 0.240 288 I C 2.549 178.653 176.117 -0.022 0.000 1.078 288 I CA 1.706 62.967 61.300 -0.064 0.000 1.343 288 I CB -0.854 37.159 38.000 0.022 0.000 1.046 288 I HN 0.545 nan 8.210 nan 0.000 0.405 289 N N 0.600 119.298 118.700 -0.003 0.000 2.205 289 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 289 N C 1.863 177.347 175.510 -0.044 0.000 1.015 289 N CA 1.396 54.488 53.050 0.070 0.000 0.862 289 N CB -0.081 38.444 38.487 0.063 0.000 0.986 289 N HN 0.438 nan 8.380 nan 0.000 0.429 290 G N 0.667 109.362 108.800 -0.175 0.000 2.395 290 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.214 290 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.214 290 G C 1.542 176.362 174.900 -0.132 0.000 1.177 290 G CA 0.235 45.219 45.100 -0.192 0.000 0.794 290 G HN 0.179 nan 8.290 nan 0.000 0.532 291 M N 0.090 119.630 119.600 -0.100 0.000 2.160 291 M HA 0.116 4.596 4.480 -0.000 0.000 0.264 291 M C 2.638 178.901 176.300 -0.061 0.000 1.073 291 M CA 0.917 56.183 55.300 -0.056 0.000 1.142 291 M CB -0.233 32.400 32.600 0.056 0.000 1.358 291 M HN 0.101 nan 8.290 nan 0.000 0.422 292 M N -0.500 119.039 119.600 -0.103 0.000 2.358 292 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 292 M C 1.889 178.106 176.300 -0.138 0.000 1.064 292 M CA 1.371 56.532 55.300 -0.233 0.000 1.093 292 M CB -1.435 30.710 32.600 -0.759 0.000 1.401 292 M HN 0.276 nan 8.290 nan 0.000 0.440 293 T N 1.298 115.817 114.554 -0.058 0.000 2.803 293 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 293 T C 1.781 176.388 174.700 -0.154 0.000 1.052 293 T CA 1.037 63.119 62.100 -0.031 0.000 1.136 293 T CB -0.174 68.676 68.868 -0.029 0.000 0.864 293 T HN 0.229 nan 8.240 nan 0.000 0.467 294 L N 1.763 122.790 121.223 -0.326 0.000 2.492 294 L HA 0.169 4.509 4.340 -0.000 0.000 0.223 294 L C 1.239 177.709 176.870 -0.667 0.000 1.132 294 L CA 0.130 54.595 54.840 -0.625 0.000 0.850 294 L CB -0.384 41.003 42.059 -1.120 0.000 0.966 294 L HN 0.182 nan 8.230 nan 0.000 0.454 295 S N -0.736 114.825 115.700 -0.231 0.000 2.563 295 S HA 0.337 4.807 4.470 -0.000 0.000 0.294 295 S C 1.353 176.003 174.600 0.084 0.000 1.279 295 S CA 0.096 58.378 58.200 0.136 0.000 1.069 295 S CB 0.558 63.859 63.200 0.168 0.000 0.828 295 S HN 0.638 nan 8.310 nan 0.000 0.497 296 G N 3.124 112.069 108.800 0.242 0.000 2.454 296 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.225 296 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.225 296 G C 0.752 175.774 174.900 0.204 0.000 1.138 296 G CA 0.115 45.327 45.100 0.186 0.000 0.667 296 G HN 1.953 nan 8.290 nan 0.000 0.512 297 A N -0.271 122.556 122.820 0.011 0.000 2.411 297 A HA 0.520 4.840 4.320 -0.000 0.000 0.251 297 A C 1.371 178.824 177.584 -0.218 0.000 1.317 297 A CA 0.769 52.753 52.037 -0.089 0.000 0.904 297 A CB -0.738 18.141 19.000 -0.203 0.000 0.993 297 A HN 0.624 nan 8.150 nan 0.000 0.504 298 W N 0.068 121.373 121.300 0.009 0.000 2.421 298 W HA -0.174 4.486 4.660 -0.000 0.000 0.270 298 W C 2.360 178.865 176.519 -0.023 0.000 1.233 298 W CA 1.300 58.632 57.345 -0.022 0.000 1.226 298 W CB -0.180 29.282 29.460 0.003 0.000 1.121 298 W HN 0.777 nan 8.180 nan 0.000 0.579 299 H N -0.034 119.133 119.070 0.163 0.000 2.521 299 H HA 0.018 4.574 4.556 -0.000 0.000 0.286 299 H C 1.274 176.627 175.328 0.041 0.000 1.034 299 H CA 1.152 57.254 56.048 0.090 0.000 1.278 299 H CB -0.488 29.312 29.762 0.063 0.000 1.386 299 H HN 0.206 nan 8.280 nan 0.000 0.567 300 K N 0.620 120.731 120.400 -0.481 0.000 2.365 300 K HA 0.073 4.393 4.320 -0.000 0.000 0.199 300 K C 2.348 178.846 176.600 -0.170 0.000 1.045 300 K CA 0.270 56.343 56.287 -0.357 0.000 0.962 300 K CB 0.276 32.546 32.500 -0.383 0.000 0.759 300 K HN 0.268 nan 8.250 nan 0.000 0.469 301 L N 0.903 122.066 121.223 -0.100 0.000 2.093 301 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 301 L C 2.366 179.185 176.870 -0.084 0.000 1.085 301 L CA 1.438 56.231 54.840 -0.079 0.000 0.755 301 L CB -0.390 41.686 42.059 0.028 0.000 0.904 301 L HN 0.253 nan 8.230 nan 0.000 0.435 302 R N -1.071 119.418 120.500 -0.018 0.000 2.148 302 R HA -0.069 4.270 4.340 -0.000 0.000 0.223 302 R C 2.355 178.643 176.300 -0.019 0.000 1.088 302 R CA 1.237 57.337 56.100 -0.001 0.000 0.985 302 R CB -0.548 29.779 30.300 0.045 0.000 0.880 302 R HN 0.099 nan 8.270 nan 0.000 0.451 303 S N 0.699 116.379 115.700 -0.033 0.000 2.348 303 S HA -0.120 4.350 4.470 -0.000 0.000 0.219 303 S C 0.322 174.886 174.600 -0.061 0.000 1.033 303 S CA 0.897 59.077 58.200 -0.034 0.000 0.974 303 S CB -0.151 63.031 63.200 -0.031 0.000 0.868 303 S HN 0.379 nan 8.310 nan 0.000 0.459 304 D N 0.925 121.270 120.400 -0.092 0.000 2.441 304 D HA 0.393 5.033 4.640 -0.000 0.000 0.231 304 D C -1.758 174.461 176.300 -0.134 0.000 1.073 304 D CA -2.469 51.475 54.000 -0.094 0.000 0.850 304 D CB 1.890 42.643 40.800 -0.079 0.000 1.062 304 D HN 0.082 nan 8.370 nan 0.000 0.524 305 P HA -0.050 nan 4.420 nan 0.000 0.221 305 P C 1.731 179.008 177.300 -0.038 0.000 1.150 305 P CA 0.527 63.498 63.100 -0.214 0.000 0.800 305 P CB 0.566 32.168 31.700 -0.163 0.000 0.787 306 I N -0.773 119.809 120.570 0.020 0.000 2.208 306 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 306 I C 2.433 178.634 176.117 0.140 0.000 1.097 306 I CA 1.080 62.459 61.300 0.133 0.000 1.363 306 I CB -0.692 37.364 38.000 0.093 0.000 1.051 306 I HN -0.082 nan 8.210 nan 0.000 0.413 307 L N 0.853 122.094 121.223 0.029 0.000 2.046 307 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 307 L C 2.623 179.471 176.870 -0.037 0.000 1.077 307 L CA 1.712 56.544 54.840 -0.014 0.000 0.747 307 L CB -0.618 41.388 42.059 -0.088 0.000 0.896 307 L HN 0.070 nan 8.230 nan 0.000 0.432 308 R N -1.478 118.929 120.500 -0.155 0.000 2.115 308 R HA -0.259 4.081 4.340 -0.000 0.000 0.239 308 R C 2.270 178.537 176.300 -0.055 0.000 1.133 308 R CA 2.302 58.205 56.100 -0.328 0.000 0.935 308 R CB -0.821 28.877 30.300 -1.004 0.000 0.853 308 R HN 0.285 nan 8.270 nan 0.000 0.433 309 F N 0.934 120.911 119.950 0.044 0.000 2.043 309 F HA -0.301 4.226 4.527 -0.000 0.000 0.297 309 F C 2.450 178.341 175.800 0.152 0.000 1.118 309 F CA 1.612 59.732 58.000 0.200 0.000 1.202 309 F CB -0.489 38.589 39.000 0.129 0.000 0.965 309 F HN -0.002 nan 8.300 nan 0.000 0.482 310 L N -0.766 120.634 121.223 0.294 0.000 2.013 310 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 310 L C 2.277 179.245 176.870 0.164 0.000 1.073 310 L CA 1.067 56.021 54.840 0.190 0.000 0.753 310 L CB -0.978 41.150 42.059 0.115 0.000 0.890 310 L HN 0.038 nan 8.230 nan 0.000 0.432 311 V N -0.783 119.195 119.914 0.106 0.000 2.229 311 V HA -0.239 3.880 4.120 -0.000 0.000 0.243 311 V C 2.413 178.600 176.094 0.155 0.000 1.042 311 V CA 1.581 63.931 62.300 0.083 0.000 1.000 311 V CB -0.351 31.490 31.823 0.029 0.000 0.637 311 V HN 0.162 nan 8.190 nan 0.000 0.446 312 V N 0.563 120.593 119.914 0.193 0.000 2.453 312 V HA -0.299 3.821 4.120 -0.000 0.000 0.252 312 V C 2.801 179.091 176.094 0.326 0.000 1.068 312 V CA 2.368 64.799 62.300 0.218 0.000 1.070 312 V CB -0.837 31.163 31.823 0.296 0.000 0.664 312 V HN 0.719 nan 8.190 nan 0.000 0.461 313 S N 0.001 115.928 115.700 0.380 0.000 2.365 313 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 313 S C 1.920 176.841 174.600 0.534 0.000 1.039 313 S CA 2.162 60.657 58.200 0.492 0.000 1.033 313 S CB -0.409 63.038 63.200 0.412 0.000 0.887 313 S HN 0.568 nan 8.310 nan 0.000 0.447 314 L N 1.136 122.557 121.223 0.330 0.000 2.141 314 L HA 0.031 4.371 4.340 -0.000 0.000 0.209 314 L C 3.103 180.045 176.870 0.120 0.000 1.094 314 L CA 0.955 55.904 54.840 0.181 0.000 0.763 314 L CB -0.808 41.281 42.059 0.051 0.000 0.908 314 L HN 0.468 nan 8.230 nan 0.000 0.437 315 A N 0.308 123.167 122.820 0.065 0.000 1.883 315 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 315 A C 2.084 179.608 177.584 -0.100 0.000 1.186 315 A CA 1.700 53.681 52.037 -0.093 0.000 0.624 315 A CB -0.876 17.998 19.000 -0.210 0.000 0.822 315 A HN 0.320 nan 8.150 nan 0.000 0.444 316 F N -2.199 117.842 119.950 0.150 0.000 2.146 316 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 316 F C 2.247 178.140 175.800 0.155 0.000 1.096 316 F CA 1.530 59.630 58.000 0.165 0.000 1.275 316 F CB -0.651 38.462 39.000 0.188 0.000 1.008 316 F HN 0.401 nan 8.300 nan 0.000 0.480 317 Y N 1.123 121.544 120.300 0.201 0.000 2.081 317 Y HA -0.246 4.304 4.550 -0.000 0.000 0.280 317 Y C 2.451 178.305 175.900 -0.078 0.000 1.163 317 Y CA 1.640 59.628 58.100 -0.186 0.000 1.135 317 Y CB -1.062 36.917 38.460 -0.801 0.000 0.970 317 Y HN 0.015 nan 8.280 nan 0.000 0.498 318 G N 0.360 109.108 108.800 -0.087 0.000 2.440 318 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.218 318 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.218 318 G C 1.684 176.668 174.900 0.140 0.000 1.154 318 G CA 1.348 46.363 45.100 -0.141 0.000 0.767 318 G HN 0.594 nan 8.290 nan 0.000 0.552 319 M N 1.915 121.607 119.600 0.153 0.000 2.117 319 M HA -0.062 4.418 4.480 -0.000 0.000 0.262 319 M C 2.490 178.995 176.300 0.341 0.000 1.065 319 M CA 2.812 58.299 55.300 0.311 0.000 1.114 319 M CB -0.307 32.453 32.600 0.267 0.000 1.361 319 M HN 0.189 nan 8.290 nan 0.000 0.408 320 S N -1.188 114.662 115.700 0.249 0.000 2.461 320 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 320 S C 1.699 176.404 174.600 0.176 0.000 1.005 320 S CA 0.802 59.165 58.200 0.271 0.000 0.942 320 S CB -1.405 61.938 63.200 0.240 0.000 0.776 320 S HN 0.712 nan 8.310 nan 0.000 0.514 321 T N -1.796 112.764 114.554 0.009 0.000 3.219 321 T HA 0.335 4.685 4.350 -0.000 0.000 0.249 321 T C 0.733 175.496 174.700 0.105 0.000 1.099 321 T CA -0.338 61.733 62.100 -0.047 0.000 0.988 321 T CB -0.617 68.050 68.868 -0.335 0.000 0.999 321 T HN 0.551 nan 8.240 nan 0.000 0.550 322 F N 0.562 120.541 119.950 0.048 0.000 2.549 322 F HA 0.346 4.873 4.527 -0.000 0.000 0.275 322 F C 2.273 178.052 175.800 -0.034 0.000 0.990 322 F CA -0.350 57.645 58.000 -0.009 0.000 1.274 322 F CB 0.452 39.619 39.000 0.278 0.000 1.064 322 F HN 0.099 nan 8.300 nan 0.000 0.715 323 E N 0.700 120.862 120.200 -0.065 0.000 2.097 323 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 323 E C 2.175 178.593 176.600 -0.303 0.000 1.000 323 E CA 1.573 57.876 56.400 -0.162 0.000 0.804 323 E CB -0.519 29.270 29.700 0.148 0.000 0.740 323 E HN 0.565 nan 8.360 nan 0.000 0.454 324 G N 1.189 109.807 108.800 -0.302 0.000 2.480 324 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 324 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 324 G C -0.782 173.850 174.900 -0.447 0.000 1.200 324 G CA 0.970 45.761 45.100 -0.515 0.000 0.782 324 G HN 0.334 nan 8.290 nan 0.000 0.554 325 P HA -0.137 nan 4.420 nan 0.000 0.216 325 P C 2.252 179.401 177.300 -0.252 0.000 1.154 325 P CA 1.342 64.293 63.100 -0.250 0.000 0.865 325 P CB -0.044 31.556 31.700 -0.166 0.000 0.789 326 M N -1.960 117.472 119.600 -0.280 0.000 2.086 326 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 326 M C 2.116 178.234 176.300 -0.304 0.000 1.067 326 M CA 1.909 57.043 55.300 -0.278 0.000 1.116 326 M CB -1.484 30.909 32.600 -0.344 0.000 1.348 326 M HN 0.048 nan 8.290 nan 0.000 0.407 327 M N -0.706 118.637 119.600 -0.428 0.000 2.557 327 M HA -0.047 4.433 4.480 -0.000 0.000 0.259 327 M C 1.823 177.902 176.300 -0.369 0.000 1.086 327 M CA 0.821 55.811 55.300 -0.517 0.000 1.096 327 M CB -0.408 31.741 32.600 -0.752 0.000 1.424 327 M HN 0.242 nan 8.290 nan 0.000 0.488 328 A N 0.329 122.950 122.820 -0.333 0.000 2.218 328 A HA 0.215 4.535 4.320 -0.000 0.000 0.209 328 A C 0.869 178.451 177.584 -0.004 0.000 1.168 328 A CA -0.074 51.863 52.037 -0.168 0.000 0.804 328 A CB -0.409 18.427 19.000 -0.273 0.000 0.834 328 A HN 0.359 nan 8.150 nan 0.000 0.482 329 I N 0.756 121.249 120.570 -0.130 0.000 2.533 329 I HA 0.003 4.173 4.170 -0.000 0.000 0.284 329 I C 1.218 177.200 176.117 -0.226 0.000 1.109 329 I CA -0.285 60.921 61.300 -0.156 0.000 1.412 329 I CB 0.978 38.901 38.000 -0.129 0.000 1.396 329 I HN 0.231 nan 8.210 nan 0.000 0.543 330 K N 3.027 123.183 120.400 -0.406 0.000 2.034 330 K HA -0.201 4.119 4.320 -0.000 0.000 0.214 330 K C 1.798 178.372 176.600 -0.044 0.000 1.051 330 K CA 2.007 57.988 56.287 -0.509 0.000 0.931 330 K CB -0.330 31.780 32.500 -0.650 0.000 0.715 330 K HN 0.692 nan 8.250 nan 0.000 0.446 331 T N 1.087 115.641 114.554 0.000 0.000 2.833 331 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 331 T C 2.049 176.763 174.700 0.024 0.000 1.054 331 T CA 1.200 63.334 62.100 0.056 0.000 1.135 331 T CB -0.141 68.740 68.868 0.021 0.000 0.869 331 T HN -0.024 nan 8.240 nan 0.000 0.466 332 V N 2.270 122.165 119.914 -0.032 0.000 2.323 332 V HA -0.125 3.995 4.120 -0.000 0.000 0.244 332 V C 2.504 178.548 176.094 -0.084 0.000 1.041 332 V CA 1.355 63.621 62.300 -0.057 0.000 1.025 332 V CB -0.623 31.123 31.823 -0.129 0.000 0.656 332 V HN 0.544 nan 8.190 nan 0.000 0.451 333 N N 0.559 119.203 118.700 -0.092 0.000 2.272 333 N HA -0.203 4.536 4.740 -0.000 0.000 0.185 333 N C 1.845 177.398 175.510 0.072 0.000 1.014 333 N CA 1.433 54.454 53.050 -0.049 0.000 0.870 333 N CB 0.002 38.512 38.487 0.039 0.000 0.975 333 N HN 0.481 nan 8.380 nan 0.000 0.433 334 A N 0.965 123.858 122.820 0.122 0.000 1.948 334 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 334 A C 2.177 179.840 177.584 0.132 0.000 1.177 334 A CA 1.054 53.165 52.037 0.123 0.000 0.636 334 A CB -0.473 18.547 19.000 0.034 0.000 0.815 334 A HN 0.385 nan 8.150 nan 0.000 0.449 335 L N -0.728 120.571 121.223 0.127 0.000 2.200 335 L HA 0.004 4.344 4.340 -0.000 0.000 0.200 335 L C 2.807 179.810 176.870 0.221 0.000 1.072 335 L CA 1.780 56.727 54.840 0.178 0.000 0.787 335 L CB -0.278 41.892 42.059 0.184 0.000 0.957 335 L HN 0.442 nan 8.230 nan 0.000 0.459 336 S N -1.135 114.642 115.700 0.129 0.000 2.356 336 S HA -0.250 4.220 4.470 -0.000 0.000 0.223 336 S C 1.157 175.827 174.600 0.118 0.000 1.032 336 S CA 0.402 58.629 58.200 0.044 0.000 1.005 336 S CB -0.772 62.077 63.200 -0.586 0.000 0.867 336 S HN 0.559 nan 8.310 nan 0.000 0.449 337 H N 0.455 119.512 119.070 -0.022 0.000 3.064 337 H HA 0.091 4.647 4.556 -0.000 0.000 0.329 337 H C 0.366 175.769 175.328 0.125 0.000 1.020 337 H CA 1.588 57.574 56.048 -0.103 0.000 1.402 337 H CB -0.343 29.259 29.762 -0.266 0.000 1.379 337 H HN 0.507 nan 8.280 nan 0.000 0.594 338 Y N -1.056 119.137 120.300 -0.177 0.000 4.545 338 Y HA -0.428 4.122 4.550 -0.000 0.000 0.306 338 Y C 1.339 177.466 175.900 0.378 0.000 1.060 338 Y CA 0.969 59.114 58.100 0.076 0.000 1.834 338 Y CB -1.775 36.784 38.460 0.165 0.000 1.008 338 Y HN 0.760 nan 8.280 nan 0.000 0.436 339 T N -1.853 112.974 114.554 0.454 0.000 2.824 339 T HA 0.149 4.498 4.350 -0.000 0.000 0.277 339 T C 0.843 175.717 174.700 0.291 0.000 0.975 339 T CA -0.097 62.179 62.100 0.293 0.000 0.966 339 T CB 1.205 70.135 68.868 0.103 0.000 1.054 339 T HN 0.118 nan 8.240 nan 0.000 0.533 340 D N -0.597 119.938 120.400 0.225 0.000 2.351 340 D HA -0.058 4.581 4.640 -0.000 0.000 0.216 340 D C 1.218 177.727 176.300 0.348 0.000 0.968 340 D CA 0.467 54.620 54.000 0.256 0.000 0.899 340 D CB -0.095 40.804 40.800 0.165 0.000 0.907 340 D HN 0.646 nan 8.370 nan 0.000 0.514 341 W N 2.057 123.446 121.300 0.148 0.000 2.358 341 W HA -0.173 4.487 4.660 -0.000 0.000 0.303 341 W C 1.894 178.561 176.519 0.247 0.000 1.208 341 W CA 1.336 58.808 57.345 0.213 0.000 1.274 341 W CB -0.850 28.703 29.460 0.155 0.000 1.138 341 W HN -0.108 nan 8.180 nan 0.000 0.515 342 T N 1.619 116.400 114.554 0.378 0.000 2.635 342 T HA -0.265 4.085 4.350 -0.000 0.000 0.267 342 T C 1.825 176.745 174.700 0.366 0.000 1.040 342 T CA 2.376 64.638 62.100 0.270 0.000 1.156 342 T CB -0.565 68.425 68.868 0.203 0.000 0.863 342 T HN -0.031 nan 8.240 nan 0.000 0.430 343 I N 1.431 122.229 120.570 0.381 0.000 2.264 343 I HA -0.085 4.085 4.170 -0.000 0.000 0.248 343 I C 2.649 179.047 176.117 0.469 0.000 1.111 343 I CA 1.197 62.756 61.300 0.432 0.000 1.382 343 I CB -0.992 37.243 38.000 0.391 0.000 1.060 343 I HN 0.318 nan 8.210 nan 0.000 0.418 344 G N -0.923 108.131 108.800 0.424 0.000 2.421 344 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.216 344 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.216 344 G C 1.644 176.727 174.900 0.306 0.000 1.171 344 G CA 1.298 46.594 45.100 0.328 0.000 0.775 344 G HN 0.490 nan 8.290 nan 0.000 0.543 345 H N 0.676 119.959 119.070 0.355 0.000 2.289 345 H HA -0.107 4.449 4.556 -0.000 0.000 0.296 345 H C 2.524 177.938 175.328 0.144 0.000 1.091 345 H CA 2.044 58.246 56.048 0.257 0.000 1.274 345 H CB -0.577 29.287 29.762 0.169 0.000 1.364 345 H HN 0.096 nan 8.280 nan 0.000 0.490 346 V N 0.660 120.533 119.914 -0.069 0.000 2.231 346 V HA -0.357 3.763 4.120 -0.000 0.000 0.250 346 V C 2.319 178.216 176.094 -0.327 0.000 1.058 346 V CA 2.628 64.791 62.300 -0.228 0.000 1.022 346 V CB -0.781 31.023 31.823 -0.033 0.000 0.640 346 V HN 0.612 nan 8.190 nan 0.000 0.445 347 H N -0.437 118.484 119.070 -0.249 0.000 2.470 347 H HA 0.208 4.764 4.556 -0.000 0.000 0.289 347 H C 2.125 177.178 175.328 -0.459 0.000 1.033 347 H CA 1.006 56.755 56.048 -0.498 0.000 1.331 347 H CB -0.438 28.667 29.762 -1.095 0.000 1.414 347 H HN 0.444 nan 8.280 nan 0.000 0.545 348 A N 0.534 123.239 122.820 -0.192 0.000 1.849 348 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 348 A C 2.731 180.261 177.584 -0.089 0.000 1.202 348 A CA 1.888 53.849 52.037 -0.127 0.000 0.629 348 A CB -1.369 17.688 19.000 0.095 0.000 0.834 348 A HN 0.505 nan 8.150 nan 0.000 0.447 349 G N -0.963 107.806 108.800 -0.052 0.000 2.442 349 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.219 349 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.219 349 G C 1.699 176.580 174.900 -0.032 0.000 1.141 349 G CA 1.722 46.850 45.100 0.046 0.000 0.763 349 G HN 0.861 nan 8.290 nan 0.000 0.554 350 A N 0.354 123.031 122.820 -0.239 0.000 1.854 350 A HA 0.227 4.547 4.320 -0.000 0.000 0.214 350 A C 2.439 179.829 177.584 -0.323 0.000 1.192 350 A CA 1.186 53.029 52.037 -0.324 0.000 0.611 350 A CB -0.359 18.346 19.000 -0.491 0.000 0.832 350 A HN 0.318 nan 8.150 nan 0.000 0.442 351 L N -1.056 119.905 121.223 -0.436 0.000 2.049 351 L HA 0.025 4.365 4.340 -0.000 0.000 0.203 351 L C 2.841 179.522 176.870 -0.314 0.000 1.074 351 L CA 1.084 55.578 54.840 -0.577 0.000 0.749 351 L CB -0.943 40.551 42.059 -0.942 0.000 0.907 351 L HN 0.469 nan 8.230 nan 0.000 0.439 352 G N -0.739 107.796 108.800 -0.441 0.000 2.403 352 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 352 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 352 G C 1.325 176.312 174.900 0.145 0.000 1.154 352 G CA 0.277 45.049 45.100 -0.547 0.000 0.784 352 G HN 0.526 nan 8.290 nan 0.000 0.538 353 W N 0.184 121.471 121.300 -0.022 0.000 3.096 353 W HA 0.048 4.708 4.660 -0.000 0.000 0.271 353 W C 1.947 178.421 176.519 -0.075 0.000 0.983 353 W CA 0.608 57.990 57.345 0.063 0.000 1.978 353 W CB -0.291 29.265 29.460 0.159 0.000 1.175 353 W HN 0.004 nan 8.180 nan 0.000 0.559 354 V N 2.833 122.295 119.914 -0.753 0.000 2.231 354 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 354 V C 2.796 178.548 176.094 -0.570 0.000 1.054 354 V CA 3.139 64.725 62.300 -1.189 0.000 1.015 354 V CB -1.796 29.431 31.823 -0.993 0.000 0.638 354 V HN 0.399 nan 8.190 nan 0.000 0.444 355 A N -0.423 122.315 122.820 -0.137 0.000 1.865 355 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 355 A C 2.252 179.944 177.584 0.180 0.000 1.191 355 A CA 2.365 54.538 52.037 0.228 0.000 0.623 355 A CB -0.521 18.658 19.000 0.298 0.000 0.826 355 A HN 0.467 nan 8.150 nan 0.000 0.444 356 M N -0.954 118.748 119.600 0.171 0.000 2.080 356 M HA -0.136 4.344 4.480 -0.000 0.000 0.260 356 M C 2.272 178.654 176.300 0.137 0.000 1.068 356 M CA 1.607 57.074 55.300 0.279 0.000 1.109 356 M CB -1.126 31.684 32.600 0.351 0.000 1.342 356 M HN 0.303 nan 8.290 nan 0.000 0.405 357 V N 0.809 120.706 119.914 -0.028 0.000 2.343 357 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 357 V C 2.530 178.531 176.094 -0.154 0.000 1.051 357 V CA 2.436 64.673 62.300 -0.105 0.000 1.036 357 V CB -0.383 31.232 31.823 -0.346 0.000 0.654 357 V HN 0.612 nan 8.190 nan 0.000 0.451 358 S N -0.169 115.445 115.700 -0.144 0.000 2.387 358 S HA -0.088 4.382 4.470 -0.000 0.000 0.226 358 S C 1.948 176.415 174.600 -0.221 0.000 1.026 358 S CA 1.187 59.289 58.200 -0.163 0.000 0.972 358 S CB -0.397 62.749 63.200 -0.091 0.000 0.814 358 S HN 0.442 nan 8.310 nan 0.000 0.477 359 I N 3.149 123.613 120.570 -0.176 0.000 2.069 359 I HA -0.172 3.998 4.170 -0.000 0.000 0.237 359 I C 2.906 178.750 176.117 -0.455 0.000 1.053 359 I CA 1.900 62.967 61.300 -0.389 0.000 1.311 359 I CB -2.231 35.405 38.000 -0.606 0.000 1.030 359 I HN 0.443 nan 8.210 nan 0.000 0.398 360 G N 0.602 109.190 108.800 -0.353 0.000 2.529 360 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 360 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 360 G C 1.858 176.657 174.900 -0.169 0.000 1.177 360 G CA 1.630 46.653 45.100 -0.127 0.000 0.773 360 G HN 0.550 nan 8.290 nan 0.000 0.573 361 A N 0.380 122.950 122.820 -0.417 0.000 1.908 361 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 361 A C 2.508 179.706 177.584 -0.644 0.000 1.181 361 A CA 1.595 53.031 52.037 -1.002 0.000 0.627 361 A CB -0.444 17.773 19.000 -1.306 0.000 0.818 361 A HN 0.386 nan 8.150 nan 0.000 0.445 362 L N -2.402 118.573 121.223 -0.414 0.000 2.005 362 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 362 L C 2.584 179.365 176.870 -0.149 0.000 1.072 362 L CA 1.627 56.299 54.840 -0.280 0.000 0.744 362 L CB -0.764 41.121 42.059 -0.290 0.000 0.895 362 L HN 0.499 nan 8.230 nan 0.000 0.433 363 Y N -0.741 119.476 120.300 -0.138 0.000 2.181 363 Y HA -0.407 4.143 4.550 -0.000 0.000 0.284 363 Y C 2.812 178.708 175.900 -0.006 0.000 1.179 363 Y CA 1.727 59.781 58.100 -0.078 0.000 1.179 363 Y CB -0.317 38.076 38.460 -0.112 0.000 0.973 363 Y HN 0.314 nan 8.280 nan 0.000 0.519 364 H N 0.036 119.164 119.070 0.098 0.000 2.299 364 H HA -0.155 4.401 4.556 -0.000 0.000 0.302 364 H C 2.001 177.388 175.328 0.098 0.000 1.078 364 H CA 2.061 58.195 56.048 0.144 0.000 1.323 364 H CB -0.193 29.749 29.762 0.300 0.000 1.381 364 H HN 0.279 nan 8.280 nan 0.000 0.498 365 L N -1.100 120.246 121.223 0.204 0.000 2.162 365 L HA 0.111 4.451 4.340 -0.000 0.000 0.205 365 L C 2.158 178.949 176.870 -0.132 0.000 1.086 365 L CA 0.863 55.649 54.840 -0.091 0.000 0.778 365 L CB -0.912 40.906 42.059 -0.402 0.000 0.928 365 L HN 0.116 nan 8.230 nan 0.000 0.446 366 V N 0.938 120.833 119.914 -0.032 0.000 2.282 366 V HA -0.196 3.924 4.120 -0.000 0.000 0.249 366 V C 0.257 176.457 176.094 0.177 0.000 1.057 366 V CA 2.625 64.977 62.300 0.086 0.000 1.032 366 V CB -1.906 29.933 31.823 0.028 0.000 0.645 366 V HN 0.396 nan 8.190 nan 0.000 0.447 367 P HA -0.145 nan 4.420 nan 0.000 0.213 367 P C 1.618 179.004 177.300 0.145 0.000 1.170 367 P CA 1.370 64.528 63.100 0.096 0.000 0.898 367 P CB -0.101 31.620 31.700 0.034 0.000 0.787 368 K N -0.407 120.050 120.400 0.095 0.000 2.032 368 K HA -0.160 4.160 4.320 -0.000 0.000 0.218 368 K C 1.954 178.711 176.600 0.262 0.000 1.054 368 K CA 1.663 58.063 56.287 0.189 0.000 0.941 368 K CB -1.561 31.052 32.500 0.189 0.000 0.720 368 K HN -0.048 nan 8.250 nan 0.000 0.449 369 V N -0.193 119.758 119.914 0.063 0.000 2.626 369 V HA -0.144 3.976 4.120 -0.000 0.000 0.252 369 V C 1.222 177.322 176.094 0.009 0.000 1.067 369 V CA 1.296 63.548 62.300 -0.081 0.000 1.081 369 V CB -0.450 31.163 31.823 -0.349 0.000 0.686 369 V HN 0.193 nan 8.190 nan 0.000 0.468 370 F N 0.778 120.771 119.950 0.071 0.000 2.660 370 F HA 0.471 4.998 4.527 -0.000 0.000 0.297 370 F C 1.625 177.477 175.800 0.086 0.000 1.132 370 F CA 0.222 58.261 58.000 0.064 0.000 1.372 370 F CB -0.385 38.619 39.000 0.006 0.000 1.003 370 F HN 0.215 nan 8.300 nan 0.000 0.524 371 G N 2.306 111.263 108.800 0.262 0.000 2.352 371 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.283 371 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.283 371 G C -0.051 174.925 174.900 0.126 0.000 0.946 371 G CA 0.424 45.658 45.100 0.224 0.000 1.317 371 G HN 0.538 nan 8.290 nan 0.000 0.478 372 R N -0.198 120.371 120.500 0.115 0.000 2.566 372 R HA 0.488 4.828 4.340 -0.000 0.000 0.271 372 R C 1.029 177.346 176.300 0.029 0.000 1.071 372 R CA -0.325 55.803 56.100 0.046 0.000 0.915 372 R CB 0.720 31.056 30.300 0.060 0.000 1.228 372 R HN 0.081 nan 8.270 nan 0.000 0.449 373 E N 2.508 122.699 120.200 -0.016 0.000 2.204 373 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 373 E C -0.041 176.551 176.600 -0.013 0.000 0.989 373 E CA 1.128 57.517 56.400 -0.019 0.000 0.824 373 E CB -0.114 29.561 29.700 -0.042 0.000 0.756 373 E HN 0.685 nan 8.360 nan 0.000 0.477 374 Q N -1.783 118.010 119.800 -0.011 0.000 2.782 374 Q HA 0.352 4.691 4.340 -0.000 0.000 0.308 374 Q C -0.639 175.362 176.000 0.000 0.000 0.883 374 Q CA -1.023 54.772 55.803 -0.014 0.000 0.755 374 Q CB 0.536 29.258 28.738 -0.026 0.000 1.454 374 Q HN -0.156 nan 8.270 nan 0.000 0.452 375 M N 1.485 121.090 119.600 0.009 0.000 2.219 375 M HA 0.008 4.488 4.480 -0.000 0.000 0.307 375 M C 1.374 177.692 176.300 0.030 0.000 1.116 375 M CA 0.586 55.909 55.300 0.037 0.000 1.181 375 M CB -0.225 32.413 32.600 0.063 0.000 1.410 375 M HN 0.881 nan 8.290 nan 0.000 0.454 376 H N 0.415 119.454 119.070 -0.052 0.000 2.321 376 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 376 H C 0.054 175.359 175.328 -0.039 0.000 1.087 376 H CA 1.431 57.436 56.048 -0.072 0.000 1.319 376 H CB 0.492 30.180 29.762 -0.123 0.000 1.379 376 H HN 0.517 nan 8.280 nan 0.000 0.501 377 S N -0.612 114.998 115.700 -0.150 0.000 2.672 377 S HA 0.274 4.744 4.470 -0.000 0.000 0.291 377 S C 0.740 175.293 174.600 -0.077 0.000 1.145 377 S CA -0.819 57.274 58.200 -0.178 0.000 1.013 377 S CB 0.966 64.090 63.200 -0.127 0.000 1.017 377 S HN 0.337 nan 8.310 nan 0.000 0.487 378 I N 4.203 124.722 120.570 -0.085 0.000 2.439 378 I HA 0.046 4.216 4.170 -0.000 0.000 0.251 378 I C 2.520 178.609 176.117 -0.047 0.000 1.139 378 I CA 1.188 62.439 61.300 -0.082 0.000 1.438 378 I CB -0.407 37.550 38.000 -0.071 0.000 1.085 378 I HN 0.869 nan 8.210 nan 0.000 0.427 379 G N 1.175 109.965 108.800 -0.017 0.000 2.469 379 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 379 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 379 G C 1.626 176.568 174.900 0.071 0.000 1.150 379 G CA 0.583 45.700 45.100 0.029 0.000 0.763 379 G HN 0.311 nan 8.290 nan 0.000 0.561 380 L N 0.144 121.411 121.223 0.074 0.000 2.376 380 L HA 0.135 4.475 4.340 -0.000 0.000 0.219 380 L C 2.633 179.590 176.870 0.146 0.000 1.133 380 L CA 0.122 55.044 54.840 0.137 0.000 0.816 380 L CB -0.216 41.955 42.059 0.186 0.000 0.933 380 L HN 0.256 nan 8.230 nan 0.000 0.449 381 I N -0.466 120.100 120.570 -0.006 0.000 2.406 381 I HA -0.247 3.923 4.170 -0.000 0.000 0.249 381 I C 2.389 178.593 176.117 0.145 0.000 1.122 381 I CA 1.051 62.267 61.300 -0.140 0.000 1.431 381 I CB -0.362 37.358 38.000 -0.467 0.000 1.087 381 I HN 0.380 nan 8.210 nan 0.000 0.424 382 N N 0.812 119.568 118.700 0.094 0.000 2.106 382 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 382 N C 1.998 177.685 175.510 0.294 0.000 1.029 382 N CA 2.205 55.330 53.050 0.125 0.000 0.848 382 N CB 0.088 38.643 38.487 0.114 0.000 1.007 382 N HN 0.393 nan 8.380 nan 0.000 0.423 383 T N -2.090 112.640 114.554 0.294 0.000 2.833 383 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 383 T C 1.876 176.785 174.700 0.347 0.000 1.054 383 T CA 1.344 63.639 62.100 0.325 0.000 1.135 383 T CB -0.813 68.186 68.868 0.217 0.000 0.869 383 T HN 0.389 nan 8.240 nan 0.000 0.466 384 H N -0.460 118.752 119.070 0.238 0.000 2.319 384 H HA -0.097 4.458 4.556 -0.000 0.000 0.299 384 H C 2.062 177.531 175.328 0.235 0.000 1.092 384 H CA 1.520 57.731 56.048 0.271 0.000 1.302 384 H CB -0.339 29.684 29.762 0.435 0.000 1.373 384 H HN 0.417 nan 8.280 nan 0.000 0.497 385 F N 0.323 120.285 119.950 0.021 0.000 2.091 385 F HA -0.280 4.247 4.527 -0.000 0.000 0.299 385 F C 1.745 177.260 175.800 -0.474 0.000 1.103 385 F CA 1.907 59.469 58.000 -0.730 0.000 1.228 385 F CB -0.606 37.745 39.000 -1.082 0.000 0.984 385 F HN 0.229 nan 8.300 nan 0.000 0.477 386 W N 0.518 121.826 121.300 0.013 0.000 2.381 386 W HA -0.102 4.558 4.660 -0.000 0.000 0.301 386 W C 2.344 178.815 176.519 -0.080 0.000 1.205 386 W CA 1.069 58.379 57.345 -0.058 0.000 1.285 386 W CB -0.629 28.894 29.460 0.104 0.000 1.133 386 W HN 0.002 nan 8.180 nan 0.000 0.521 387 L N 0.069 121.417 121.223 0.209 0.000 2.012 387 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 387 L C 2.656 179.551 176.870 0.043 0.000 1.073 387 L CA 1.497 56.416 54.840 0.133 0.000 0.748 387 L CB -1.383 40.746 42.059 0.118 0.000 0.891 387 L HN 0.021 nan 8.230 nan 0.000 0.431 388 A N -0.630 122.139 122.820 -0.085 0.000 1.933 388 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 388 A C 2.348 179.925 177.584 -0.012 0.000 1.175 388 A CA 2.278 54.172 52.037 -0.239 0.000 0.628 388 A CB -0.781 18.018 19.000 -0.335 0.000 0.814 388 A HN 0.422 nan 8.150 nan 0.000 0.444 389 T N 0.552 114.964 114.554 -0.236 0.000 2.698 389 T HA -0.046 4.304 4.350 -0.000 0.000 0.260 389 T C 1.855 176.600 174.700 0.076 0.000 1.044 389 T CA 1.265 63.275 62.100 -0.150 0.000 1.149 389 T CB -0.307 68.287 68.868 -0.456 0.000 0.864 389 T HN 0.309 nan 8.240 nan 0.000 0.419 390 I N 1.981 122.628 120.570 0.129 0.000 2.113 390 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 390 I C 2.896 179.103 176.117 0.150 0.000 1.064 390 I CA 1.895 63.290 61.300 0.159 0.000 1.320 390 I CB -1.991 36.106 38.000 0.162 0.000 1.028 390 I HN 0.342 nan 8.210 nan 0.000 0.406 391 G N 0.472 109.384 108.800 0.187 0.000 2.491 391 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 391 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 391 G C 1.687 176.715 174.900 0.213 0.000 1.180 391 G CA 1.662 46.914 45.100 0.254 0.000 0.774 391 G HN 0.354 nan 8.290 nan 0.000 0.562 392 T N 0.730 115.385 114.554 0.169 0.000 2.652 392 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 392 T C 2.563 177.243 174.700 -0.034 0.000 1.039 392 T CA 1.464 63.519 62.100 -0.076 0.000 1.153 392 T CB -0.401 68.258 68.868 -0.348 0.000 0.863 392 T HN 0.057 nan 8.240 nan 0.000 0.428 393 V N 1.364 121.317 119.914 0.065 0.000 2.332 393 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 393 V C 2.507 178.615 176.094 0.025 0.000 1.055 393 V CA 1.503 63.854 62.300 0.085 0.000 1.038 393 V CB -0.722 31.192 31.823 0.152 0.000 0.651 393 V HN 0.398 nan 8.190 nan 0.000 0.450 394 L N -1.505 119.751 121.223 0.055 0.000 2.012 394 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 394 L C 2.409 179.280 176.870 0.002 0.000 1.073 394 L CA 2.242 57.098 54.840 0.027 0.000 0.748 394 L CB -0.600 41.486 42.059 0.045 0.000 0.891 394 L HN 0.363 nan 8.230 nan 0.000 0.431 395 Y N 0.387 120.623 120.300 -0.107 0.000 2.053 395 Y HA -0.349 4.201 4.550 -0.000 0.000 0.277 395 Y C 2.524 178.291 175.900 -0.220 0.000 1.159 395 Y CA 1.857 59.865 58.100 -0.153 0.000 1.125 395 Y CB -0.050 38.311 38.460 -0.166 0.000 0.969 395 Y HN 0.034 nan 8.280 nan 0.000 0.492 396 I N -0.044 120.516 120.570 -0.017 0.000 2.118 396 I HA -0.426 3.744 4.170 -0.000 0.000 0.241 396 I C 2.702 178.451 176.117 -0.612 0.000 1.070 396 I CA 1.347 62.408 61.300 -0.399 0.000 1.327 396 I CB -0.826 36.845 38.000 -0.548 0.000 1.034 396 I HN 0.363 nan 8.210 nan 0.000 0.405 397 A N 0.869 123.471 122.820 -0.365 0.000 1.865 397 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 397 A C 2.514 180.036 177.584 -0.103 0.000 1.191 397 A CA 2.678 54.606 52.037 -0.181 0.000 0.623 397 A CB -1.077 17.890 19.000 -0.055 0.000 0.826 397 A HN 0.557 nan 8.150 nan 0.000 0.444 398 S N -0.990 114.638 115.700 -0.119 0.000 2.382 398 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 398 S C 1.904 176.435 174.600 -0.114 0.000 1.027 398 S CA 1.800 59.925 58.200 -0.125 0.000 0.991 398 S CB -0.443 62.655 63.200 -0.170 0.000 0.823 398 S HN 0.355 nan 8.310 nan 0.000 0.469 399 M N 0.008 119.548 119.600 -0.100 0.000 2.200 399 M HA 0.079 4.559 4.480 -0.000 0.000 0.265 399 M C 1.883 178.215 176.300 0.054 0.000 1.066 399 M CA 0.762 56.056 55.300 -0.011 0.000 1.127 399 M CB -1.440 31.211 32.600 0.084 0.000 1.379 399 M HN 0.444 nan 8.290 nan 0.000 0.420 400 W N 0.360 121.586 121.300 -0.123 0.000 2.355 400 W HA -0.092 4.568 4.660 -0.000 0.000 0.309 400 W C 2.520 178.859 176.519 -0.300 0.000 1.206 400 W CA 0.669 57.824 57.345 -0.316 0.000 1.284 400 W CB -1.603 27.672 29.460 -0.308 0.000 1.145 400 W HN -0.001 nan 8.180 nan 0.000 0.502 401 V N 1.237 121.165 119.914 0.025 0.000 2.231 401 V HA -0.375 3.745 4.120 -0.000 0.000 0.248 401 V C 2.176 178.182 176.094 -0.146 0.000 1.054 401 V CA 2.439 64.691 62.300 -0.080 0.000 1.015 401 V CB -1.201 30.572 31.823 -0.083 0.000 0.638 401 V HN 0.081 nan 8.190 nan 0.000 0.444 402 N N 0.653 119.261 118.700 -0.154 0.000 2.036 402 N HA -0.145 4.595 4.740 -0.000 0.000 0.195 402 N C 1.851 177.246 175.510 -0.193 0.000 1.037 402 N CA 1.827 54.749 53.050 -0.214 0.000 0.855 402 N CB -0.986 37.373 38.487 -0.213 0.000 1.033 402 N HN 0.491 nan 8.380 nan 0.000 0.423 403 G N 1.132 109.884 108.800 -0.081 0.000 2.446 403 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 403 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 403 G C 1.391 176.224 174.900 -0.111 0.000 1.168 403 G CA 0.661 45.757 45.100 -0.007 0.000 0.771 403 G HN 0.169 nan 8.290 nan 0.000 0.551 404 I N 2.034 122.485 120.570 -0.199 0.000 2.179 404 I HA -0.136 4.034 4.170 -0.000 0.000 0.242 404 I C 3.305 179.282 176.117 -0.234 0.000 1.088 404 I CA 1.059 62.225 61.300 -0.224 0.000 1.357 404 I CB -1.467 36.368 38.000 -0.275 0.000 1.051 404 I HN 0.267 nan 8.210 nan 0.000 0.409 405 A N 0.211 122.873 122.820 -0.265 0.000 1.892 405 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 405 A C 2.297 179.613 177.584 -0.446 0.000 1.188 405 A CA 1.974 53.818 52.037 -0.321 0.000 0.631 405 A CB -0.753 18.057 19.000 -0.317 0.000 0.822 405 A HN 0.509 nan 8.150 nan 0.000 0.447 406 Q N -0.998 118.472 119.800 -0.551 0.000 1.967 406 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 406 Q C 2.348 177.724 176.000 -1.040 0.000 0.985 406 Q CA 1.400 56.602 55.803 -1.001 0.000 0.839 406 Q CB -0.658 27.433 28.738 -1.078 0.000 0.906 406 Q HN 0.659 nan 8.270 nan 0.000 0.423 407 G N 1.339 109.784 108.800 -0.592 0.000 2.574 407 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.220 407 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.220 407 G C 1.397 176.241 174.900 -0.094 0.000 1.173 407 G CA 1.173 46.154 45.100 -0.198 0.000 0.772 407 G HN 0.307 nan 8.290 nan 0.000 0.585 408 L N -0.257 120.885 121.223 -0.135 0.000 1.970 408 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 408 L C 3.043 179.895 176.870 -0.031 0.000 1.071 408 L CA 1.874 56.674 54.840 -0.068 0.000 0.751 408 L CB -0.156 41.842 42.059 -0.102 0.000 0.889 408 L HN 0.276 nan 8.230 nan 0.000 0.432 409 M N -1.680 117.810 119.600 -0.184 0.000 2.159 409 M HA -0.241 4.238 4.480 -0.000 0.000 0.263 409 M C 2.042 178.468 176.300 0.209 0.000 1.063 409 M CA 1.623 56.840 55.300 -0.137 0.000 1.110 409 M CB -0.441 31.842 32.600 -0.529 0.000 1.374 409 M HN 0.403 nan 8.290 nan 0.000 0.411 410 W N 1.015 122.352 121.300 0.062 0.000 2.358 410 W HA -0.122 4.537 4.660 -0.000 0.000 0.303 410 W C 2.522 179.117 176.519 0.127 0.000 1.208 410 W CA 1.314 58.729 57.345 0.116 0.000 1.274 410 W CB -0.868 28.674 29.460 0.136 0.000 1.138 410 W HN 0.360 nan 8.180 nan 0.000 0.515 411 R N 0.365 121.064 120.500 0.332 0.000 2.290 411 R HA 0.439 4.779 4.340 -0.000 0.000 0.197 411 R C 0.881 177.278 176.300 0.162 0.000 0.913 411 R CA 0.493 56.722 56.100 0.215 0.000 1.040 411 R CB -0.680 29.723 30.300 0.171 0.000 0.992 411 R HN -0.151 nan 8.270 nan 0.000 0.500 412 A N 2.395 125.332 122.820 0.195 0.000 2.553 412 A HA 0.168 4.488 4.320 -0.000 0.000 0.258 412 A C -0.037 177.601 177.584 0.090 0.000 1.069 412 A CA 0.217 52.353 52.037 0.165 0.000 0.767 412 A CB -0.281 18.902 19.000 0.305 0.000 0.997 412 A HN 0.386 nan 8.150 nan 0.000 0.512 413 I N 3.118 123.716 120.570 0.047 0.000 2.525 413 I HA 0.197 4.367 4.170 -0.000 0.000 0.301 413 I C 0.771 176.878 176.117 -0.016 0.000 0.992 413 I CA -0.524 60.784 61.300 0.014 0.000 1.162 413 I CB 1.508 39.520 38.000 0.020 0.000 1.332 413 I HN 0.736 nan 8.210 nan 0.000 0.458 414 N N 2.990 121.669 118.700 -0.035 0.000 2.366 414 N HA 0.015 4.755 4.740 -0.000 0.000 0.277 414 N C 0.291 175.786 175.510 -0.025 0.000 1.275 414 N CA -0.329 52.694 53.050 -0.045 0.000 0.964 414 N CB 0.722 39.174 38.487 -0.059 0.000 1.167 414 N HN 0.627 nan 8.380 nan 0.000 0.568 415 D N -0.345 120.040 120.400 -0.025 0.000 2.263 415 D HA -0.179 4.461 4.640 -0.000 0.000 0.208 415 D C 0.532 176.823 176.300 -0.014 0.000 0.971 415 D CA 1.161 55.151 54.000 -0.017 0.000 0.867 415 D CB -0.345 40.444 40.800 -0.017 0.000 0.929 415 D HN 0.555 nan 8.370 nan 0.000 0.492 416 D N -1.537 118.853 120.400 -0.017 0.000 2.388 416 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 416 D C 1.619 177.913 176.300 -0.010 0.000 1.133 416 D CA 0.216 54.208 54.000 -0.013 0.000 0.831 416 D CB 0.124 40.915 40.800 -0.015 0.000 0.962 416 D HN 0.288 nan 8.370 nan 0.000 0.502 417 G N 0.314 109.108 108.800 -0.010 0.000 2.253 417 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.251 417 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.251 417 G C 0.622 175.520 174.900 -0.003 0.000 0.998 417 G CA 0.531 45.628 45.100 -0.004 0.000 0.621 417 G HN 0.809 nan 8.290 nan 0.000 0.524 418 T N -0.096 114.452 114.554 -0.010 0.000 2.898 418 T HA 0.601 4.951 4.350 -0.000 0.000 0.301 418 T C 0.738 175.430 174.700 -0.012 0.000 1.049 418 T CA -0.497 61.597 62.100 -0.009 0.000 1.095 418 T CB 1.550 70.407 68.868 -0.017 0.000 0.976 418 T HN 0.568 nan 8.240 nan 0.000 0.539 419 L N 2.766 123.991 121.223 0.003 0.000 2.455 419 L HA 0.137 4.477 4.340 -0.000 0.000 0.272 419 L C 1.829 178.677 176.870 -0.035 0.000 1.174 419 L CA -0.349 54.502 54.840 0.017 0.000 0.869 419 L CB 0.382 42.476 42.059 0.058 0.000 1.130 419 L HN 0.922 nan 8.230 nan 0.000 0.474 420 T N 1.667 116.164 114.554 -0.094 0.000 2.812 420 T HA -0.052 4.298 4.350 -0.000 0.000 0.264 420 T C -0.090 174.331 174.700 -0.465 0.000 1.042 420 T CA 1.320 63.209 62.100 -0.352 0.000 1.140 420 T CB -0.105 68.418 68.868 -0.574 0.000 0.870 420 T HN 0.285 nan 8.240 nan 0.000 0.445 421 Y N 1.174 121.508 120.300 0.056 0.000 2.409 421 Y HA 0.473 5.023 4.550 -0.000 0.000 0.343 421 Y C 0.547 176.502 175.900 0.091 0.000 0.973 421 Y CA -1.512 56.623 58.100 0.059 0.000 1.064 421 Y CB 1.289 39.779 38.460 0.050 0.000 1.207 421 Y HN -0.008 nan 8.280 nan 0.000 0.452 422 S N 1.694 117.537 115.700 0.238 0.000 2.584 422 S HA 0.036 4.505 4.470 -0.000 0.000 0.270 422 S C 0.732 175.480 174.600 0.247 0.000 1.346 422 S CA -0.532 57.790 58.200 0.203 0.000 1.018 422 S CB 0.438 63.727 63.200 0.148 0.000 0.899 422 S HN 0.734 nan 8.310 nan 0.000 0.542 423 F N 1.829 121.853 119.950 0.124 0.000 2.216 423 F HA -0.041 4.486 4.527 -0.000 0.000 0.300 423 F C 2.020 177.907 175.800 0.145 0.000 1.085 423 F CA 1.389 59.474 58.000 0.142 0.000 1.326 423 F CB -0.363 38.650 39.000 0.021 0.000 1.027 423 F HN 0.438 nan 8.300 nan 0.000 0.497 424 V N 0.220 120.258 119.914 0.206 0.000 2.515 424 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 424 V C 2.148 178.243 176.094 0.001 0.000 1.058 424 V CA 2.136 64.501 62.300 0.108 0.000 1.064 424 V CB -0.527 31.371 31.823 0.126 0.000 0.675 424 V HN 0.336 nan 8.190 nan 0.000 0.461 425 E N 0.404 120.619 120.200 0.024 0.000 2.085 425 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 425 E C 2.388 178.908 176.600 -0.133 0.000 0.994 425 E CA 1.712 58.108 56.400 -0.007 0.000 0.801 425 E CB -0.241 29.524 29.700 0.108 0.000 0.743 425 E HN 0.744 nan 8.360 nan 0.000 0.453 426 S N 0.985 116.572 115.700 -0.188 0.000 2.368 426 S HA -0.161 4.309 4.470 -0.000 0.000 0.225 426 S C 2.074 176.478 174.600 -0.326 0.000 1.030 426 S CA 0.659 58.669 58.200 -0.318 0.000 0.999 426 S CB -0.435 62.589 63.200 -0.294 0.000 0.844 426 S HN 0.250 nan 8.310 nan 0.000 0.459 427 L N 1.158 122.198 121.223 -0.305 0.000 2.012 427 L HA -0.152 4.187 4.340 -0.000 0.000 0.210 427 L C 2.814 179.601 176.870 -0.140 0.000 1.073 427 L CA 2.271 57.006 54.840 -0.176 0.000 0.748 427 L CB -0.648 41.385 42.059 -0.044 0.000 0.891 427 L HN 0.499 nan 8.230 nan 0.000 0.431 428 E N -0.433 119.699 120.200 -0.114 0.000 2.077 428 E HA -0.213 4.136 4.350 -0.000 0.000 0.193 428 E C 2.159 178.673 176.600 -0.144 0.000 0.989 428 E CA 1.116 57.459 56.400 -0.094 0.000 0.800 428 E CB -0.157 29.502 29.700 -0.069 0.000 0.746 428 E HN 0.589 nan 8.360 nan 0.000 0.452 429 A N 0.886 123.587 122.820 -0.198 0.000 1.986 429 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 429 A C 2.232 179.633 177.584 -0.304 0.000 1.171 429 A CA 1.824 53.718 52.037 -0.238 0.000 0.640 429 A CB -0.414 18.409 19.000 -0.295 0.000 0.811 429 A HN 0.145 nan 8.150 nan 0.000 0.451 430 S N -1.476 113.974 115.700 -0.416 0.000 2.522 430 S HA -0.067 4.403 4.470 -0.000 0.000 0.227 430 S C 1.711 175.797 174.600 -0.857 0.000 0.986 430 S CA 0.472 58.246 58.200 -0.710 0.000 0.929 430 S CB -0.487 62.132 63.200 -0.968 0.000 0.769 430 S HN 0.768 nan 8.310 nan 0.000 0.529 431 H N 2.457 121.204 119.070 -0.537 0.000 2.319 431 H HA -0.048 4.508 4.556 -0.000 0.000 0.299 431 H C -0.967 174.196 175.328 -0.275 0.000 1.092 431 H CA 1.738 57.582 56.048 -0.341 0.000 1.302 431 H CB -0.942 28.724 29.762 -0.160 0.000 1.373 431 H HN 0.252 nan 8.280 nan 0.000 0.497 432 P HA -0.113 nan 4.420 nan 0.000 0.215 432 P C 1.720 178.859 177.300 -0.269 0.000 1.157 432 P CA 1.891 64.876 63.100 -0.192 0.000 0.874 432 P CB -0.650 30.979 31.700 -0.118 0.000 0.790 433 G N -0.841 107.764 108.800 -0.325 0.000 2.476 433 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 433 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 433 G C 1.214 175.954 174.900 -0.268 0.000 1.164 433 G CA 0.637 45.550 45.100 -0.311 0.000 0.768 433 G HN 0.109 nan 8.290 nan 0.000 0.560 434 F N 0.658 120.375 119.950 -0.389 0.000 2.161 434 F HA -0.048 4.479 4.527 -0.000 0.000 0.300 434 F C 2.834 178.302 175.800 -0.555 0.000 1.089 434 F CA 0.189 57.898 58.000 -0.484 0.000 1.282 434 F CB -0.900 37.760 39.000 -0.568 0.000 1.010 434 F HN 0.011 nan 8.300 nan 0.000 0.485 435 V N -1.063 118.616 119.914 -0.391 0.000 2.346 435 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 435 V C 2.377 178.361 176.094 -0.184 0.000 1.037 435 V CA 1.079 63.165 62.300 -0.358 0.000 1.029 435 V CB -0.679 30.971 31.823 -0.289 0.000 0.663 435 V HN 0.107 nan 8.190 nan 0.000 0.454 436 V N 0.411 120.224 119.914 -0.168 0.000 2.287 436 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 436 V C 2.591 178.583 176.094 -0.169 0.000 1.053 436 V CA 2.546 64.771 62.300 -0.125 0.000 1.027 436 V CB -0.836 30.917 31.823 -0.116 0.000 0.646 436 V HN 0.507 nan 8.190 nan 0.000 0.447 437 R N -0.378 119.960 120.500 -0.269 0.000 2.091 437 R HA -0.205 4.135 4.340 -0.000 0.000 0.238 437 R C 2.380 178.452 176.300 -0.381 0.000 1.136 437 R CA 2.066 57.885 56.100 -0.468 0.000 0.959 437 R CB -0.350 29.548 30.300 -0.670 0.000 0.856 437 R HN 0.442 nan 8.270 nan 0.000 0.437 438 M N 0.745 120.181 119.600 -0.273 0.000 2.108 438 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 438 M C 1.938 178.212 176.300 -0.043 0.000 1.066 438 M CA 1.710 56.911 55.300 -0.165 0.000 1.107 438 M CB -0.265 32.238 32.600 -0.162 0.000 1.356 438 M HN 0.241 nan 8.290 nan 0.000 0.406 439 I N -0.378 120.180 120.570 -0.020 0.000 2.252 439 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 439 I C 2.589 178.743 176.117 0.062 0.000 1.102 439 I CA 1.147 62.474 61.300 0.045 0.000 1.385 439 I CB -1.055 36.973 38.000 0.048 0.000 1.064 439 I HN 0.373 nan 8.210 nan 0.000 0.414 440 G N 0.730 109.541 108.800 0.019 0.000 2.491 440 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 440 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 440 G C 1.748 176.762 174.900 0.190 0.000 1.180 440 G CA 0.957 46.108 45.100 0.085 0.000 0.774 440 G HN 0.492 nan 8.290 nan 0.000 0.562 441 G N 1.020 109.916 108.800 0.159 0.000 2.418 441 G HA2 0.047 4.007 3.960 -0.000 0.000 0.217 441 G HA3 0.047 4.007 3.960 -0.000 0.000 0.217 441 G C 2.077 177.147 174.900 0.284 0.000 1.158 441 G CA 1.577 46.828 45.100 0.251 0.000 0.771 441 G HN 0.694 nan 8.290 nan 0.000 0.545 442 A N 0.921 123.859 122.820 0.196 0.000 1.883 442 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 442 A C 2.410 180.177 177.584 0.305 0.000 1.186 442 A CA 1.507 53.685 52.037 0.236 0.000 0.624 442 A CB -0.432 18.663 19.000 0.160 0.000 0.822 442 A HN 0.383 nan 8.150 nan 0.000 0.444 443 I N -2.176 118.538 120.570 0.240 0.000 2.226 443 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 443 I C 2.342 178.599 176.117 0.233 0.000 1.100 443 I CA 1.611 63.035 61.300 0.207 0.000 1.374 443 I CB -0.338 37.764 38.000 0.171 0.000 1.057 443 I HN 0.429 nan 8.210 nan 0.000 0.413 444 F N 1.043 121.093 119.950 0.168 0.000 2.095 444 F HA -0.314 4.213 4.527 -0.000 0.000 0.298 444 F C 2.320 178.225 175.800 0.175 0.000 1.104 444 F CA 1.679 59.777 58.000 0.164 0.000 1.232 444 F CB -0.461 38.625 39.000 0.144 0.000 0.987 444 F HN 0.019 nan 8.300 nan 0.000 0.475 445 F N 0.834 120.958 119.950 0.289 0.000 2.126 445 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 445 F C 2.250 178.078 175.800 0.047 0.000 1.096 445 F CA 1.528 59.628 58.000 0.166 0.000 1.255 445 F CB -0.955 38.139 39.000 0.157 0.000 0.997 445 F HN -0.002 nan 8.300 nan 0.000 0.479 446 A N 0.487 123.321 122.820 0.024 0.000 1.908 446 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 446 A C 2.537 179.987 177.584 -0.224 0.000 1.181 446 A CA 1.777 53.748 52.037 -0.109 0.000 0.627 446 A CB -1.869 17.157 19.000 0.043 0.000 0.818 446 A HN 0.529 nan 8.150 nan 0.000 0.445 447 G N -0.938 107.742 108.800 -0.200 0.000 2.440 447 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 447 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 447 G C 1.506 175.955 174.900 -0.752 0.000 1.154 447 G CA 1.359 46.246 45.100 -0.355 0.000 0.767 447 G HN 0.339 nan 8.290 nan 0.000 0.552 448 M N 0.214 119.506 119.600 -0.513 0.000 2.149 448 M HA 0.043 4.523 4.480 -0.000 0.000 0.261 448 M C 2.672 178.732 176.300 -0.400 0.000 1.064 448 M CA 0.989 56.036 55.300 -0.421 0.000 1.102 448 M CB -1.053 31.385 32.600 -0.270 0.000 1.369 448 M HN 0.228 nan 8.290 nan 0.000 0.408 449 L N -1.001 119.944 121.223 -0.463 0.000 2.046 449 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 449 L C 2.461 179.229 176.870 -0.171 0.000 1.077 449 L CA 0.755 55.400 54.840 -0.326 0.000 0.747 449 L CB -0.950 40.898 42.059 -0.351 0.000 0.896 449 L HN 0.050 nan 8.230 nan 0.000 0.432 450 V N -0.341 119.457 119.914 -0.194 0.000 2.392 450 V HA -0.371 3.749 4.120 -0.000 0.000 0.249 450 V C 2.454 178.558 176.094 0.016 0.000 1.059 450 V CA 2.115 64.380 62.300 -0.058 0.000 1.051 450 V CB -0.487 31.295 31.823 -0.069 0.000 0.658 450 V HN 0.466 nan 8.190 nan 0.000 0.455 451 M N -0.028 119.471 119.600 -0.168 0.000 2.086 451 M HA -0.174 4.305 4.480 -0.000 0.000 0.261 451 M C 2.281 178.583 176.300 0.003 0.000 1.067 451 M CA 2.280 57.565 55.300 -0.025 0.000 1.116 451 M CB -0.338 32.165 32.600 -0.161 0.000 1.348 451 M HN 0.360 nan 8.290 nan 0.000 0.407 452 A N -0.344 122.449 122.820 -0.045 0.000 1.892 452 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 452 A C 1.989 179.624 177.584 0.085 0.000 1.188 452 A CA 2.058 54.088 52.037 -0.012 0.000 0.631 452 A CB -1.524 17.439 19.000 -0.062 0.000 0.822 452 A HN 0.761 nan 8.150 nan 0.000 0.447 453 Y N 0.656 120.963 120.300 0.012 0.000 2.128 453 Y HA -0.265 4.285 4.550 -0.000 0.000 0.284 453 Y C 2.342 178.341 175.900 0.165 0.000 1.154 453 Y CA 2.196 60.358 58.100 0.105 0.000 1.149 453 Y CB -0.468 38.030 38.460 0.065 0.000 0.976 453 Y HN 0.508 nan 8.280 nan 0.000 0.505 454 N N -1.115 117.653 118.700 0.114 0.000 2.025 454 N HA -0.226 4.514 4.740 -0.000 0.000 0.194 454 N C 1.623 177.124 175.510 -0.015 0.000 1.044 454 N CA 2.234 55.331 53.050 0.078 0.000 0.851 454 N CB -0.214 38.432 38.487 0.265 0.000 1.036 454 N HN 0.369 nan 8.380 nan 0.000 0.422 455 T N -0.207 114.356 114.554 0.014 0.000 2.635 455 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 455 T C 1.212 175.824 174.700 -0.148 0.000 1.040 455 T CA 1.662 63.716 62.100 -0.076 0.000 1.156 455 T CB -0.689 68.131 68.868 -0.079 0.000 0.863 455 T HN 0.509 nan 8.240 nan 0.000 0.430 456 W N 2.643 123.783 121.300 -0.268 0.000 2.335 456 W HA -0.141 4.519 4.660 -0.000 0.000 0.311 456 W C 2.304 178.607 176.519 -0.359 0.000 1.213 456 W CA 0.965 58.137 57.345 -0.288 0.000 1.274 456 W CB -0.221 29.105 29.460 -0.224 0.000 1.148 456 W HN -0.051 nan 8.180 nan 0.000 0.498 457 R N -0.355 119.801 120.500 -0.573 0.000 2.105 457 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 457 R C 2.339 178.219 176.300 -0.700 0.000 1.135 457 R CA 2.079 57.632 56.100 -0.912 0.000 0.967 457 R CB -1.914 27.670 30.300 -1.193 0.000 0.861 457 R HN 0.450 nan 8.270 nan 0.000 0.442 458 T N -1.110 113.184 114.554 -0.434 0.000 2.985 458 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 458 T C 1.979 176.450 174.700 -0.382 0.000 1.076 458 T CA 0.922 62.849 62.100 -0.288 0.000 1.135 458 T CB -0.114 68.663 68.868 -0.151 0.000 0.890 458 T HN -0.038 nan 8.240 nan 0.000 0.480 459 V N 1.502 121.097 119.914 -0.532 0.000 2.548 459 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 459 V C 2.848 178.723 176.094 -0.365 0.000 1.055 459 V CA 1.728 63.672 62.300 -0.592 0.000 1.065 459 V CB -0.718 30.711 31.823 -0.656 0.000 0.681 459 V HN 0.568 nan 8.190 nan 0.000 0.462 460 Q N -0.098 119.408 119.800 -0.489 0.000 2.061 460 Q HA -0.209 4.130 4.340 -0.000 0.000 0.204 460 Q C 2.284 178.143 176.000 -0.234 0.000 0.984 460 Q CA 1.624 57.187 55.803 -0.400 0.000 0.846 460 Q CB -0.518 27.874 28.738 -0.576 0.000 0.902 460 Q HN 0.642 nan 8.270 nan 0.000 0.421 461 A N 1.382 124.064 122.820 -0.229 0.000 2.589 461 A HA -0.286 4.034 4.320 -0.000 0.000 0.253 461 A C 1.004 178.549 177.584 -0.065 0.000 2.009 461 A CA 2.116 54.078 52.037 -0.124 0.000 1.041 461 A CB -1.411 17.534 19.000 -0.093 0.000 0.525 461 A HN 0.535 nan 8.150 nan 0.000 0.450 462 A N -2.765 120.047 122.820 -0.013 0.000 2.322 462 A HA 0.698 5.018 4.320 -0.000 0.000 0.327 462 A C 0.696 178.308 177.584 0.047 0.000 1.134 462 A CA 0.040 52.087 52.037 0.016 0.000 0.831 462 A CB 1.215 20.234 19.000 0.032 0.000 1.288 462 A HN 0.490 nan 8.150 nan 0.000 0.472 463 K N -0.399 120.025 120.400 0.040 0.000 2.424 463 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 463 K C -1.667 174.962 176.600 0.049 0.000 1.190 463 K CA 0.275 56.591 56.287 0.048 0.000 0.935 463 K CB -0.350 32.168 32.500 0.029 0.000 1.087 463 K HN 0.515 nan 8.250 nan 0.000 0.524 464 P HA 0.295 nan 4.420 nan 0.000 0.219 464 P C -0.118 177.218 177.300 0.061 0.000 1.832 464 P CA -0.051 63.075 63.100 0.043 0.000 1.014 464 P CB 0.590 32.311 31.700 0.035 0.000 1.939 465 A N 1.549 124.411 122.820 0.070 0.000 3.002 465 A HA -0.140 4.180 4.320 -0.000 0.000 0.169 465 A C 0.742 178.398 177.584 0.119 0.000 0.967 465 A CA 0.538 52.635 52.037 0.099 0.000 1.052 465 A CB -0.934 18.111 19.000 0.075 0.000 0.833 465 A HN 0.466 nan 8.150 nan 0.000 0.565 466 E N -1.923 118.346 120.200 0.114 0.000 2.359 466 E HA -0.235 4.115 4.350 -0.000 0.000 0.157 466 E C -1.193 175.483 176.600 0.126 0.000 1.718 466 E CA 1.036 57.492 56.400 0.093 0.000 0.620 466 E CB -1.308 28.406 29.700 0.023 0.000 1.057 466 E HN 0.560 nan 8.360 nan 0.000 0.322 467 Y N 2.227 122.554 120.300 0.046 0.000 2.749 467 Y HA 0.338 4.888 4.550 -0.000 0.000 0.343 467 Y C -0.711 175.201 175.900 0.020 0.000 1.015 467 Y CA -0.632 57.485 58.100 0.028 0.000 1.270 467 Y CB 0.852 39.349 38.460 0.062 0.000 1.097 467 Y HN 0.128 nan 8.280 nan 0.000 0.571 468 D N 3.711 123.929 120.400 -0.303 0.000 2.192 468 D HA 0.341 4.981 4.640 -0.000 0.000 0.200 468 D C -0.815 175.259 176.300 -0.377 0.000 1.281 468 D CA 0.287 54.118 54.000 -0.282 0.000 0.895 468 D CB 1.009 41.662 40.800 -0.244 0.000 1.643 468 D HN 0.591 nan 8.370 nan 0.000 0.510 469 A N 2.123 124.717 122.820 -0.377 0.000 2.940 469 A HA 0.840 5.160 4.320 -0.000 0.000 0.210 469 A C 1.112 178.403 177.584 -0.488 0.000 2.267 469 A CA 0.858 52.646 52.037 -0.414 0.000 1.544 469 A CB -0.932 17.875 19.000 -0.321 0.000 1.180 469 A HN 0.598 nan 8.150 nan 0.000 0.403 470 A N 0.000 122.630 122.820 -0.317 0.000 2.254 470 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 470 A CA 0.000 51.884 52.037 -0.254 0.000 0.836 470 A CB 0.000 18.915 19.000 -0.142 0.000 0.831 470 A HN 0.000 nan 8.150 nan 0.000 0.486