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 3jtr_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNSWAVAPGK TANGNALLLQ NPHLSWTTDY FTYYEAHLVT PDFEIYGATQ DATA SEQUENCE IGLPVIRFAF NQRMGITNTV NGMVGATNYR LTLQDGGYLY DGQVRPFERR DATA SEQUENCE QASYRLRQAD GTTVDKPLEI RSSVHGPVFE RADGTAVAVR VAGLDRPGML DATA SEQUENCE EQYFDMITAD SFDDYEAALA RMQVPTFNIV YADREGTINY SFNGVAPKRA DATA SEQUENCE EGDIAFWQGL VPGDSSRYLW TETHPLDDLP RVTNPPGGFV QNSNDPPWTP DATA SEQUENCE TWPVTYTPKD FPSYLAPQTP HSLRAQQSVR LMSENDDLTL ERFMALQLSH DATA SEQUENCE RAVMADRTLP DLIPAALIDP DPEVQAAARL LAAWDREFTS DSRAALLFEE DATA SEQUENCE WARLFAGQNF AGQAGFATPW SLDKPVSTPY GVRDPKAAVD QLRTAIANTK DATA SEQUENCE RKYGAIDRPF GDASRMILND VNVPGAAGYG NLGSFRVFTW SDPDENGVRT DATA SEQUENCE PVHGETWVAM IEFSTPVRAY GLMSYGNSRQ PGTTHYSDQI ERVSRADFRE DATA SEQUENCE LLLRREQVEA AVQERTPFNF KP 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.335 174.600 -0.442 0.000 1.055 1 S CA 0.000 57.864 58.200 -0.560 0.000 1.107 1 S CB 0.000 63.089 63.200 -0.184 0.000 0.593 2 N N 1.330 119.679 118.700 -0.585 0.000 2.328 2 N HA 0.800 5.540 4.740 -0.000 0.000 0.299 2 N C -1.239 174.129 175.510 -0.236 0.000 1.179 2 N CA -0.756 52.043 53.050 -0.418 0.000 0.793 2 N CB 2.022 40.029 38.487 -0.799 0.000 1.366 2 N HN 0.770 nan 8.380 nan 0.000 0.493 3 S N -0.326 115.323 115.700 -0.086 0.000 2.649 3 S HA 0.544 5.014 4.470 -0.000 0.000 0.274 3 S C -1.749 173.006 174.600 0.258 0.000 1.176 3 S CA -0.967 57.276 58.200 0.072 0.000 0.988 3 S CB 0.984 64.292 63.200 0.180 0.000 1.071 3 S HN 0.434 nan 8.310 nan 0.000 0.478 4 W N 1.407 122.856 121.300 0.249 0.000 2.736 4 W HA 0.826 5.486 4.660 -0.000 0.000 0.335 4 W C -0.244 176.469 176.519 0.323 0.000 1.059 4 W CA -1.245 56.282 57.345 0.304 0.000 1.226 4 W CB 2.151 31.797 29.460 0.310 0.000 1.416 4 W HN 1.051 nan 8.180 nan 0.000 0.505 5 A N 2.131 125.264 122.820 0.522 0.000 2.398 5 A HA 0.785 5.104 4.320 -0.000 0.000 0.301 5 A C -1.730 176.010 177.584 0.261 0.000 1.041 5 A CA -0.581 51.653 52.037 0.328 0.000 0.711 5 A CB 1.472 20.619 19.000 0.244 0.000 1.240 5 A HN 0.279 nan 8.150 nan 0.000 0.420 6 V N 2.023 122.009 119.914 0.120 0.000 2.487 6 V HA 0.661 4.781 4.120 -0.000 0.000 0.298 6 V C 0.755 176.855 176.094 0.010 0.000 1.028 6 V CA -0.358 61.980 62.300 0.062 0.000 0.860 6 V CB 1.404 33.178 31.823 -0.081 0.000 0.991 6 V HN 1.312 nan 8.190 nan 0.000 0.427 7 A N 6.411 129.250 122.820 0.032 0.000 2.386 7 A HA 0.516 4.836 4.320 -0.000 0.000 0.248 7 A C -1.333 176.238 177.584 -0.021 0.000 1.082 7 A CA -0.946 51.090 52.037 -0.002 0.000 0.789 7 A CB 0.020 19.023 19.000 0.004 0.000 1.025 7 A HN 0.700 nan 8.150 nan 0.000 0.490 8 P HA -0.193 nan 4.420 nan 0.000 0.216 8 P C 1.643 178.926 177.300 -0.028 0.000 1.154 8 P CA 2.194 65.275 63.100 -0.031 0.000 0.865 8 P CB 0.052 31.737 31.700 -0.025 0.000 0.789 9 G N -0.508 108.281 108.800 -0.019 0.000 2.448 9 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 9 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 9 G C 1.448 176.338 174.900 -0.016 0.000 1.127 9 G CA 0.495 45.586 45.100 -0.015 0.000 0.766 9 G HN 0.305 nan 8.290 nan 0.000 0.552 10 K N 0.594 120.985 120.400 -0.015 0.000 2.458 10 K HA 0.094 4.414 4.320 -0.000 0.000 0.194 10 K C 0.456 177.025 176.600 -0.051 0.000 1.024 10 K CA 0.337 56.611 56.287 -0.022 0.000 1.108 10 K CB 0.079 32.581 32.500 0.003 0.000 0.846 10 K HN 0.418 nan 8.250 nan 0.000 0.518 11 T N -4.730 109.791 114.554 -0.055 0.000 2.924 11 T HA 0.517 4.867 4.350 -0.000 0.000 0.291 11 T C 0.999 175.666 174.700 -0.056 0.000 1.045 11 T CA -0.588 61.468 62.100 -0.072 0.000 1.015 11 T CB 1.902 70.714 68.868 -0.093 0.000 1.103 11 T HN -0.048 nan 8.240 nan 0.000 0.496 12 A N 1.739 124.525 122.820 -0.056 0.000 1.898 12 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 12 A C 2.034 179.595 177.584 -0.038 0.000 1.181 12 A CA 1.237 53.248 52.037 -0.044 0.000 0.620 12 A CB -0.911 18.063 19.000 -0.043 0.000 0.819 12 A HN 0.780 nan 8.150 nan 0.000 0.442 13 N N -1.402 117.272 118.700 -0.043 0.000 2.422 13 N HA 0.183 4.923 4.740 -0.000 0.000 0.181 13 N C 1.105 176.597 175.510 -0.030 0.000 1.080 13 N CA 1.131 54.160 53.050 -0.035 0.000 0.893 13 N CB 0.408 38.872 38.487 -0.039 0.000 0.973 13 N HN 0.656 nan 8.380 nan 0.000 0.456 14 G N 0.277 109.056 108.800 -0.034 0.000 2.141 14 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 14 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 14 G C -0.466 174.421 174.900 -0.022 0.000 0.982 14 G CA -0.138 44.946 45.100 -0.026 0.000 0.662 14 G HN 0.471 nan 8.290 nan 0.000 0.527 15 N N 0.125 118.808 118.700 -0.028 0.000 2.370 15 N HA 0.729 5.469 4.740 -0.000 0.000 0.303 15 N C 0.268 175.762 175.510 -0.026 0.000 1.103 15 N CA -0.271 52.774 53.050 -0.009 0.000 0.848 15 N CB 1.657 40.147 38.487 0.005 0.000 1.235 15 N HN 0.536 nan 8.380 nan 0.000 0.496 16 A N 1.363 124.195 122.820 0.021 0.000 2.386 16 A HA 0.474 4.794 4.320 -0.000 0.000 0.248 16 A C -0.432 177.151 177.584 -0.001 0.000 1.082 16 A CA -0.140 51.904 52.037 0.012 0.000 0.789 16 A CB 0.048 19.064 19.000 0.026 0.000 1.025 16 A HN 0.600 nan 8.150 nan 0.000 0.490 17 L N 0.946 122.080 121.223 -0.149 0.000 2.354 17 L HA 0.675 5.015 4.340 -0.000 0.000 0.269 17 L C -0.986 175.767 176.870 -0.194 0.000 1.005 17 L CA -0.816 53.776 54.840 -0.414 0.000 0.819 17 L CB 1.834 43.245 42.059 -1.080 0.000 1.311 17 L HN 0.661 nan 8.230 nan 0.000 0.423 18 L N 3.322 124.493 121.223 -0.088 0.000 2.464 18 L HA 0.590 4.930 4.340 -0.000 0.000 0.266 18 L C -1.573 175.486 176.870 0.316 0.000 0.965 18 L CA -0.391 54.566 54.840 0.195 0.000 0.833 18 L CB 2.010 44.203 42.059 0.223 0.000 1.296 18 L HN 0.471 nan 8.230 nan 0.000 0.405 19 L N 4.267 125.740 121.223 0.417 0.000 2.287 19 L HA 0.593 4.933 4.340 -0.000 0.000 0.287 19 L C -0.872 176.042 176.870 0.073 0.000 1.022 19 L CA 0.225 55.182 54.840 0.196 0.000 0.814 19 L CB 1.467 43.565 42.059 0.064 0.000 1.217 19 L HN 0.730 nan 8.230 nan 0.000 0.420 20 Q N 4.632 124.421 119.800 -0.018 0.000 2.307 20 Q HA 0.421 4.761 4.340 -0.000 0.000 0.262 20 Q C -0.571 175.286 176.000 -0.238 0.000 0.961 20 Q CA -0.153 55.663 55.803 0.022 0.000 0.882 20 Q CB 1.382 30.244 28.738 0.207 0.000 1.264 20 Q HN 0.748 nan 8.270 nan 0.000 0.446 21 N N 2.234 120.775 118.700 -0.265 0.000 2.609 21 N HA 0.128 4.868 4.740 -0.000 0.000 0.251 21 N C -2.777 172.401 175.510 -0.554 0.000 1.526 21 N CA -0.929 51.860 53.050 -0.435 0.000 0.931 21 N CB 0.898 39.101 38.487 -0.474 0.000 1.460 21 N HN 0.328 nan 8.380 nan 0.000 0.526 22 P HA 0.077 nan 4.420 nan 0.000 0.271 22 P C -1.097 175.997 177.300 -0.344 0.000 1.216 22 P CA 0.551 63.401 63.100 -0.418 0.000 0.776 22 P CB 0.659 32.029 31.700 -0.551 0.000 0.881 23 H N 1.969 120.952 119.070 -0.145 0.000 2.541 23 H HA 0.555 5.110 4.556 -0.000 0.000 0.316 23 H C 0.068 175.292 175.328 -0.173 0.000 1.043 23 H CA -0.700 55.189 56.048 -0.266 0.000 1.232 23 H CB 0.947 30.493 29.762 -0.360 0.000 1.406 23 H HN 0.255 nan 8.280 nan 0.000 0.469 24 L N 0.944 122.166 121.223 -0.002 0.000 2.403 24 L HA 0.297 4.637 4.340 -0.000 0.000 0.253 24 L C 0.103 177.176 176.870 0.338 0.000 1.045 24 L CA -1.092 53.835 54.840 0.144 0.000 0.845 24 L CB 2.349 44.435 42.059 0.045 0.000 1.447 24 L HN 0.474 nan 8.230 nan 0.000 0.411 25 S N -0.308 115.672 115.700 0.466 0.000 2.558 25 S HA -0.066 4.403 4.470 -0.000 0.000 0.293 25 S C 0.247 175.204 174.600 0.595 0.000 1.292 25 S CA 0.198 58.687 58.200 0.481 0.000 1.063 25 S CB 0.183 63.629 63.200 0.409 0.000 0.831 25 S HN 0.450 nan 8.310 nan 0.000 0.499 26 W N 3.138 124.594 121.300 0.261 0.000 2.937 26 W HA 0.204 4.864 4.660 -0.000 0.000 0.245 26 W C 1.080 177.689 176.519 0.150 0.000 1.306 26 W CA -0.187 57.360 57.345 0.337 0.000 1.470 26 W CB -0.611 29.033 29.460 0.307 0.000 1.132 26 W HN 0.524 nan 8.180 nan 0.000 0.675 27 T N 0.305 115.036 114.554 0.295 0.000 3.446 27 T HA 0.316 4.666 4.350 -0.000 0.000 0.289 27 T C -0.687 174.029 174.700 0.026 0.000 1.203 27 T CA -0.090 62.091 62.100 0.136 0.000 1.645 27 T CB 0.691 69.653 68.868 0.156 0.000 0.841 27 T HN -0.348 nan 8.240 nan 0.000 0.617 28 T N 2.005 116.516 114.554 -0.071 0.000 4.209 28 T HA 0.109 4.459 4.350 -0.000 0.000 0.319 28 T C 0.320 174.797 174.700 -0.372 0.000 0.730 28 T CA -0.753 61.192 62.100 -0.258 0.000 0.949 28 T CB 1.095 69.787 68.868 -0.294 0.000 1.110 28 T HN 0.273 nan 8.240 nan 0.000 0.470 29 D N 1.786 121.984 120.400 -0.337 0.000 1.580 29 D HA -0.291 4.349 4.640 -0.000 0.000 0.625 29 D C 1.617 177.761 176.300 -0.260 0.000 0.627 29 D CA 2.878 56.705 54.000 -0.289 0.000 1.731 29 D CB -0.456 40.174 40.800 -0.284 0.000 0.240 29 D HN 0.854 nan 8.370 nan 0.000 0.217 30 Y N -1.546 118.634 120.300 -0.200 0.000 2.509 30 Y HA 0.220 4.770 4.550 -0.000 0.000 0.293 30 Y C 2.274 178.128 175.900 -0.077 0.000 1.133 30 Y CA 0.222 58.215 58.100 -0.178 0.000 1.283 30 Y CB -1.070 37.251 38.460 -0.231 0.000 1.001 30 Y HN 0.130 nan 8.280 nan 0.000 0.555 31 F N 0.618 120.465 119.950 -0.173 0.000 2.811 31 F HA 0.081 4.608 4.527 -0.000 0.000 0.301 31 F C 0.700 176.323 175.800 -0.296 0.000 1.151 31 F CA -0.273 57.635 58.000 -0.154 0.000 1.412 31 F CB 0.079 39.043 39.000 -0.060 0.000 1.113 31 F HN -0.126 nan 8.300 nan 0.000 0.579 32 T N 0.975 115.467 114.554 -0.103 0.000 2.853 32 T HA 0.020 4.370 4.350 -0.000 0.000 0.298 32 T C -0.482 174.133 174.700 -0.140 0.000 0.978 32 T CA 0.205 62.196 62.100 -0.181 0.000 1.152 32 T CB 0.019 68.746 68.868 -0.235 0.000 0.914 32 T HN -0.001 nan 8.240 nan 0.000 0.539 33 Y N 1.894 122.329 120.300 0.224 0.000 2.307 33 Y HA 0.443 4.993 4.550 -0.000 0.000 0.324 33 Y C -0.051 175.966 175.900 0.196 0.000 1.238 33 Y CA -0.651 57.557 58.100 0.181 0.000 1.280 33 Y CB 0.821 39.354 38.460 0.122 0.000 1.248 33 Y HN 0.592 nan 8.280 nan 0.000 0.508 34 Y N 1.832 122.199 120.300 0.111 0.000 2.492 34 Y HA 0.327 4.876 4.550 -0.000 0.000 0.346 34 Y C -1.030 174.753 175.900 -0.195 0.000 0.997 34 Y CA -1.530 56.554 58.100 -0.027 0.000 1.025 34 Y CB 1.630 40.065 38.460 -0.041 0.000 1.263 34 Y HN 0.646 nan 8.280 nan 0.000 0.454 35 E N 4.165 123.912 120.200 -0.755 0.000 2.166 35 E HA 0.798 5.148 4.350 -0.000 0.000 0.275 35 E C -1.620 174.413 176.600 -0.945 0.000 0.941 35 E CA -0.629 55.272 56.400 -0.831 0.000 0.784 35 E CB 1.173 30.491 29.700 -0.637 0.000 1.115 35 E HN 0.839 nan 8.360 nan 0.000 0.399 36 A N 4.165 126.522 122.820 -0.771 0.000 2.588 36 A HA 0.476 4.795 4.320 -0.000 0.000 0.290 36 A C -1.835 175.379 177.584 -0.617 0.000 1.136 36 A CA -0.623 51.058 52.037 -0.593 0.000 0.681 36 A CB 1.618 20.410 19.000 -0.347 0.000 1.282 36 A HN 0.798 nan 8.150 nan 0.000 0.421 37 H N 0.179 118.955 119.070 -0.490 0.000 2.934 37 H HA 0.587 5.143 4.556 -0.000 0.000 0.340 37 H C -2.201 173.039 175.328 -0.146 0.000 1.008 37 H CA -0.604 55.215 56.048 -0.381 0.000 1.317 37 H CB 1.009 30.588 29.762 -0.306 0.000 1.670 37 H HN 0.445 nan 8.280 nan 0.000 0.516 38 L N 5.811 126.988 121.223 -0.076 0.000 2.333 38 L HA 0.411 4.751 4.340 -0.000 0.000 0.280 38 L C -0.893 175.837 176.870 -0.233 0.000 1.004 38 L CA -0.632 54.146 54.840 -0.103 0.000 0.820 38 L CB 1.821 43.962 42.059 0.137 0.000 1.247 38 L HN 0.399 nan 8.230 nan 0.000 0.416 39 V N 1.868 121.577 119.914 -0.341 0.000 2.525 39 V HA 0.719 4.839 4.120 -0.000 0.000 0.299 39 V C -0.019 175.848 176.094 -0.380 0.000 1.034 39 V CA -0.533 61.546 62.300 -0.369 0.000 0.863 39 V CB 1.917 33.552 31.823 -0.312 0.000 0.999 39 V HN 0.849 nan 8.190 nan 0.000 0.423 40 T N 1.991 116.213 114.554 -0.554 0.000 2.910 40 T HA 0.591 4.941 4.350 -0.000 0.000 0.287 40 T C -2.171 172.390 174.700 -0.230 0.000 1.050 40 T CA -2.008 59.860 62.100 -0.386 0.000 1.011 40 T CB 2.126 70.707 68.868 -0.479 0.000 1.195 40 T HN 0.341 nan 8.240 nan 0.000 0.540 41 P HA 0.108 nan 4.420 nan 0.000 0.225 41 P C 0.389 177.687 177.300 -0.004 0.000 1.148 41 P CA 0.805 63.881 63.100 -0.041 0.000 0.779 41 P CB 0.096 31.791 31.700 -0.008 0.000 0.780 42 D N -2.178 118.228 120.400 0.011 0.000 2.454 42 D HA 0.168 4.808 4.640 -0.000 0.000 0.214 42 D C 0.374 176.813 176.300 0.231 0.000 1.088 42 D CA 0.327 54.405 54.000 0.130 0.000 0.855 42 D CB 0.491 41.418 40.800 0.212 0.000 1.025 42 D HN 0.238 nan 8.370 nan 0.000 0.502 43 F N -0.421 119.570 119.950 0.068 0.000 2.668 43 F HA 0.614 5.141 4.527 -0.000 0.000 0.309 43 F C -1.439 174.399 175.800 0.064 0.000 1.117 43 F CA -1.157 56.877 58.000 0.057 0.000 0.951 43 F CB 1.709 40.735 39.000 0.043 0.000 1.323 43 F HN -0.331 nan 8.300 nan 0.000 0.451 44 E N 3.082 123.435 120.200 0.255 0.000 2.290 44 E HA 0.699 5.049 4.350 -0.000 0.000 0.274 44 E C -1.785 174.993 176.600 0.296 0.000 0.889 44 E CA -0.911 55.595 56.400 0.176 0.000 0.760 44 E CB 2.566 32.349 29.700 0.138 0.000 1.206 44 E HN 0.828 nan 8.360 nan 0.000 0.419 45 I N 1.202 121.953 120.570 0.302 0.000 2.656 45 I HA 0.541 4.711 4.170 -0.000 0.000 0.292 45 I C -1.689 174.532 176.117 0.172 0.000 1.144 45 I CA -1.104 60.324 61.300 0.213 0.000 1.038 45 I CB 1.783 39.913 38.000 0.217 0.000 1.244 45 I HN 0.578 nan 8.210 nan 0.000 0.420 46 Y N 3.701 123.876 120.300 -0.208 0.000 2.462 46 Y HA 0.844 5.394 4.550 -0.000 0.000 0.346 46 Y C 0.247 175.939 175.900 -0.346 0.000 0.976 46 Y CA 0.556 58.428 58.100 -0.380 0.000 1.044 46 Y CB 2.199 40.138 38.460 -0.867 0.000 1.230 46 Y HN 1.105 nan 8.280 nan 0.000 0.455 47 G N 1.816 110.465 108.800 -0.251 0.000 2.334 47 G HA2 0.427 4.387 3.960 -0.000 0.000 0.249 47 G HA3 0.427 4.387 3.960 -0.000 0.000 0.249 47 G C -1.994 172.590 174.900 -0.526 0.000 1.327 47 G CA -0.353 44.693 45.100 -0.091 0.000 0.979 47 G HN 1.078 nan 8.290 nan 0.000 0.471 48 A N -1.246 121.215 122.820 -0.598 0.000 2.356 48 A HA 0.981 5.300 4.320 -0.000 0.000 0.323 48 A C -0.150 177.405 177.584 -0.048 0.000 1.119 48 A CA 0.314 51.971 52.037 -0.633 0.000 0.790 48 A CB 2.060 20.225 19.000 -1.391 0.000 1.273 48 A HN 1.736 nan 8.150 nan 0.000 0.452 49 T N 0.030 114.670 114.554 0.143 0.000 2.802 49 T HA 0.430 4.780 4.350 -0.000 0.000 0.311 49 T C -1.188 173.698 174.700 0.310 0.000 1.405 49 T CA -0.407 61.864 62.100 0.286 0.000 1.016 49 T CB 1.282 70.210 68.868 0.100 0.000 1.352 49 T HN 0.720 nan 8.240 nan 0.000 0.498 50 Q N 1.827 121.734 119.800 0.179 0.000 2.337 50 Q HA 0.419 4.759 4.340 -0.000 0.000 0.270 50 Q C 0.336 176.351 176.000 0.024 0.000 1.002 50 Q CA -0.135 55.665 55.803 -0.005 0.000 0.888 50 Q CB 0.120 28.860 28.738 0.005 0.000 1.222 50 Q HN 0.624 nan 8.270 nan 0.000 0.400 51 I N -0.979 119.581 120.570 -0.016 0.000 2.845 51 I HA 0.172 4.342 4.170 -0.000 0.000 0.296 51 I C 1.218 177.301 176.117 -0.057 0.000 1.216 51 I CA 0.815 62.074 61.300 -0.068 0.000 1.438 51 I CB -0.102 37.823 38.000 -0.125 0.000 1.342 51 I HN 0.777 nan 8.210 nan 0.000 0.577 52 G N 4.484 113.234 108.800 -0.083 0.000 2.199 52 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.254 52 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.254 52 G C 0.078 174.956 174.900 -0.038 0.000 0.982 52 G CA 0.081 45.142 45.100 -0.065 0.000 0.632 52 G HN 0.664 nan 8.290 nan 0.000 0.529 53 L N 1.759 122.971 121.223 -0.018 0.000 2.290 53 L HA 0.371 4.711 4.340 -0.000 0.000 0.284 53 L C -0.599 176.262 176.870 -0.015 0.000 1.078 53 L CA -1.669 53.165 54.840 -0.008 0.000 0.815 53 L CB 1.350 43.410 42.059 0.002 0.000 1.162 53 L HN -0.028 nan 8.230 nan 0.000 0.435 54 P HA 0.014 nan 4.420 nan 0.000 0.249 54 P C -0.272 177.023 177.300 -0.009 0.000 1.229 54 P CA 0.359 63.439 63.100 -0.033 0.000 0.788 54 P CB 0.147 31.809 31.700 -0.063 0.000 1.072 55 V N -3.132 116.788 119.914 0.010 0.000 2.823 55 V HA 0.518 4.638 4.120 -0.000 0.000 0.312 55 V C -0.174 175.923 176.094 0.005 0.000 1.072 55 V CA -1.567 60.764 62.300 0.052 0.000 0.937 55 V CB 2.255 34.145 31.823 0.112 0.000 1.013 55 V HN -0.257 nan 8.190 nan 0.000 0.430 56 I N 3.693 124.283 120.570 0.032 0.000 2.379 56 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 56 I C 1.509 177.578 176.117 -0.081 0.000 1.063 56 I CA -0.020 61.279 61.300 -0.002 0.000 1.351 56 I CB 0.892 38.905 38.000 0.022 0.000 1.410 56 I HN 0.699 nan 8.210 nan 0.000 0.505 57 R N 4.215 124.614 120.500 -0.168 0.000 2.161 57 R HA 0.084 4.424 4.340 -0.000 0.000 0.213 57 R C -0.214 175.841 176.300 -0.409 0.000 1.055 57 R CA 0.932 56.737 56.100 -0.492 0.000 0.996 57 R CB 0.151 30.069 30.300 -0.636 0.000 0.901 57 R HN 0.383 nan 8.270 nan 0.000 0.456 58 F N 0.726 120.647 119.950 -0.049 0.000 2.310 58 F HA 0.431 4.958 4.527 -0.000 0.000 0.365 58 F C 0.057 175.957 175.800 0.166 0.000 1.080 58 F CA -0.820 57.227 58.000 0.079 0.000 1.187 58 F CB 1.189 40.237 39.000 0.080 0.000 1.465 58 F HN -0.101 nan 8.300 nan 0.000 0.496 59 A N 3.363 126.365 122.820 0.302 0.000 2.356 59 A HA 0.957 5.277 4.320 -0.000 0.000 0.323 59 A C -1.102 176.740 177.584 0.430 0.000 1.119 59 A CA -0.545 51.659 52.037 0.279 0.000 0.790 59 A CB 1.395 20.497 19.000 0.169 0.000 1.273 59 A HN 0.618 nan 8.150 nan 0.000 0.452 60 F N 0.082 120.185 119.950 0.256 0.000 2.741 60 F HA 0.803 5.329 4.527 -0.000 0.000 0.313 60 F C -0.742 175.202 175.800 0.241 0.000 1.153 60 F CA -0.861 57.293 58.000 0.256 0.000 0.931 60 F CB 1.139 40.286 39.000 0.246 0.000 1.335 60 F HN 0.758 nan 8.300 nan 0.000 0.460 61 N N -1.088 117.833 118.700 0.367 0.000 3.588 61 N HA 0.206 4.946 4.740 -0.000 0.000 0.340 61 N C -0.266 175.462 175.510 0.363 0.000 1.609 61 N CA -0.649 52.529 53.050 0.212 0.000 0.811 61 N CB 0.147 38.736 38.487 0.170 0.000 2.184 61 N HN 0.540 nan 8.380 nan 0.000 0.577 62 Q N -0.624 119.321 119.800 0.243 0.000 2.437 62 Q HA 0.036 4.376 4.340 -0.000 0.000 0.210 62 Q C 1.027 177.191 176.000 0.275 0.000 0.972 62 Q CA 0.973 56.916 55.803 0.233 0.000 0.903 62 Q CB 0.159 28.985 28.738 0.147 0.000 0.967 62 Q HN 0.583 nan 8.270 nan 0.000 0.486 63 R N -0.561 120.079 120.500 0.234 0.000 2.194 63 R HA 0.183 4.523 4.340 -0.000 0.000 0.194 63 R C 0.521 176.738 176.300 -0.138 0.000 0.985 63 R CA 0.441 56.597 56.100 0.094 0.000 1.104 63 R CB 0.619 30.959 30.300 0.067 0.000 1.092 63 R HN 0.227 nan 8.270 nan 0.000 0.555 64 M N -2.324 117.223 119.600 -0.088 0.000 2.721 64 M HA 0.659 5.138 4.480 -0.000 0.000 0.271 64 M C -0.964 175.319 176.300 -0.027 0.000 1.259 64 M CA -0.965 54.052 55.300 -0.472 0.000 0.835 64 M CB 2.454 34.834 32.600 -0.367 0.000 1.689 64 M HN -0.034 nan 8.290 nan 0.000 0.470 65 G N 0.893 109.594 108.800 -0.166 0.000 2.698 65 G HA2 0.743 4.703 3.960 -0.000 0.000 0.293 65 G HA3 0.743 4.703 3.960 -0.000 0.000 0.293 65 G C -1.765 173.154 174.900 0.031 0.000 1.437 65 G CA -0.958 44.277 45.100 0.224 0.000 0.852 65 G HN 1.268 nan 8.290 nan 0.000 0.499 66 I N -1.920 118.751 120.570 0.168 0.000 3.108 66 I HA 0.963 5.133 4.170 -0.000 0.000 0.312 66 I C -0.538 175.689 176.117 0.183 0.000 1.095 66 I CA -0.935 60.457 61.300 0.154 0.000 1.000 66 I CB 2.581 40.703 38.000 0.204 0.000 1.229 66 I HN 0.635 nan 8.210 nan 0.000 0.454 67 T N 1.031 115.668 114.554 0.138 0.000 2.816 67 T HA 0.473 4.823 4.350 -0.000 0.000 0.299 67 T C -1.631 173.050 174.700 -0.031 0.000 1.230 67 T CA -0.755 61.404 62.100 0.099 0.000 1.007 67 T CB 1.701 70.750 68.868 0.302 0.000 1.289 67 T HN 0.831 nan 8.240 nan 0.000 0.508 68 N N 1.527 120.142 118.700 -0.142 0.000 2.225 68 N HA 0.586 5.326 4.740 -0.000 0.000 0.298 68 N C -1.116 174.458 175.510 0.107 0.000 1.076 68 N CA -0.623 52.331 53.050 -0.160 0.000 0.792 68 N CB 2.360 40.447 38.487 -0.667 0.000 1.498 68 N HN 0.817 nan 8.380 nan 0.000 0.474 69 T N -2.602 112.044 114.554 0.153 0.000 2.906 69 T HA 0.398 4.748 4.350 -0.000 0.000 0.295 69 T C -0.250 174.618 174.700 0.279 0.000 1.061 69 T CA -0.631 61.582 62.100 0.189 0.000 1.000 69 T CB 1.276 70.225 68.868 0.135 0.000 1.103 69 T HN 0.071 nan 8.240 nan 0.000 0.486 70 V N 3.549 123.615 119.914 0.254 0.000 2.572 70 V HA 0.233 4.353 4.120 -0.000 0.000 0.291 70 V C 1.012 177.153 176.094 0.078 0.000 1.039 70 V CA 0.080 62.504 62.300 0.207 0.000 1.055 70 V CB 0.563 32.484 31.823 0.163 0.000 0.969 70 V HN 1.071 nan 8.190 nan 0.000 0.482 71 N N 2.807 121.483 118.700 -0.039 0.000 2.159 71 N HA 0.166 4.906 4.740 -0.000 0.000 0.217 71 N C 1.126 176.597 175.510 -0.065 0.000 1.223 71 N CA 0.543 53.535 53.050 -0.097 0.000 0.896 71 N CB 0.739 38.974 38.487 -0.420 0.000 1.064 71 N HN 0.891 nan 8.380 nan 0.000 0.518 72 G N 1.049 109.801 108.800 -0.080 0.000 2.166 72 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.260 72 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.260 72 G C 0.126 175.006 174.900 -0.033 0.000 0.986 72 G CA 0.469 45.548 45.100 -0.035 0.000 0.683 72 G HN 0.557 nan 8.290 nan 0.000 0.527 73 M N 0.965 120.493 119.600 -0.120 0.000 2.408 73 M HA 0.191 4.671 4.480 -0.000 0.000 0.444 73 M C 0.583 176.857 176.300 -0.044 0.000 1.600 73 M CA 0.383 55.630 55.300 -0.089 0.000 0.884 73 M CB 0.203 32.663 32.600 -0.233 0.000 2.081 73 M HN 0.267 nan 8.290 nan 0.000 0.510 74 V N 7.329 127.255 119.914 0.020 0.000 2.364 74 V HA 0.291 4.411 4.120 -0.000 0.000 0.252 74 V C 1.340 177.391 176.094 -0.071 0.000 1.075 74 V CA 0.661 62.965 62.300 0.005 0.000 1.033 74 V CB -0.478 31.385 31.823 0.066 0.000 1.116 74 V HN 1.041 nan 8.190 nan 0.000 0.488 75 G N 3.156 111.912 108.800 -0.074 0.000 3.277 75 G HA2 0.579 4.539 3.960 -0.000 0.000 0.243 75 G HA3 0.579 4.539 3.960 -0.000 0.000 0.243 75 G C 0.318 175.199 174.900 -0.032 0.000 1.107 75 G CA 0.675 45.709 45.100 -0.110 0.000 0.771 75 G HN 0.830 nan 8.290 nan 0.000 0.544 76 A N -0.605 122.236 122.820 0.034 0.000 2.527 76 A HA 0.861 5.181 4.320 -0.000 0.000 0.293 76 A C -0.786 176.915 177.584 0.195 0.000 1.117 76 A CA -0.465 51.675 52.037 0.171 0.000 0.723 76 A CB 1.624 20.695 19.000 0.119 0.000 1.313 76 A HN 0.038 nan 8.150 nan 0.000 0.411 77 T N 1.460 116.189 114.554 0.292 0.000 2.881 77 T HA 0.440 4.790 4.350 -0.000 0.000 0.290 77 T C -0.718 173.959 174.700 -0.039 0.000 1.000 77 T CA -0.387 61.787 62.100 0.123 0.000 0.978 77 T CB 0.980 69.963 68.868 0.192 0.000 0.997 77 T HN 0.635 nan 8.240 nan 0.000 0.443 78 N N 1.662 120.271 118.700 -0.152 0.000 2.422 78 N HA 0.445 5.185 4.740 -0.000 0.000 0.266 78 N C -1.406 173.932 175.510 -0.287 0.000 1.007 78 N CA -0.492 52.481 53.050 -0.129 0.000 0.941 78 N CB 0.908 39.349 38.487 -0.077 0.000 1.115 78 N HN 0.518 nan 8.380 nan 0.000 0.492 79 Y N 0.796 121.037 120.300 -0.099 0.000 2.331 79 Y HA 0.309 4.859 4.550 -0.000 0.000 0.338 79 Y C 0.514 176.312 175.900 -0.169 0.000 0.992 79 Y CA -0.928 57.051 58.100 -0.201 0.000 1.121 79 Y CB 1.097 39.276 38.460 -0.468 0.000 1.184 79 Y HN 0.284 nan 8.280 nan 0.000 0.469 80 R N 4.860 125.368 120.500 0.013 0.000 2.267 80 R HA 0.393 4.733 4.340 -0.000 0.000 0.319 80 R C -1.345 174.985 176.300 0.051 0.000 1.067 80 R CA -0.180 55.930 56.100 0.016 0.000 0.936 80 R CB 0.177 30.474 30.300 -0.006 0.000 1.006 80 R HN 0.773 nan 8.270 nan 0.000 0.452 81 L N 3.204 124.462 121.223 0.060 0.000 2.360 81 L HA 0.357 4.697 4.340 -0.000 0.000 0.271 81 L C 0.159 177.114 176.870 0.141 0.000 1.057 81 L CA -0.755 54.152 54.840 0.112 0.000 0.803 81 L CB 2.008 44.129 42.059 0.104 0.000 1.207 81 L HN 0.610 nan 8.230 nan 0.000 0.445 82 T N 3.408 118.073 114.554 0.185 0.000 2.832 82 T HA 0.344 4.694 4.350 -0.000 0.000 0.313 82 T C -0.119 174.690 174.700 0.183 0.000 1.035 82 T CA -0.564 61.629 62.100 0.155 0.000 0.950 82 T CB 0.385 69.332 68.868 0.131 0.000 0.984 82 T HN 0.078 nan 8.240 nan 0.000 0.486 83 L N 3.809 125.135 121.223 0.172 0.000 2.410 83 L HA 0.376 4.716 4.340 -0.000 0.000 0.273 83 L C 0.365 177.312 176.870 0.129 0.000 1.152 83 L CA 0.501 55.456 54.840 0.192 0.000 0.855 83 L CB 0.245 42.411 42.059 0.179 0.000 1.129 83 L HN 0.676 nan 8.230 nan 0.000 0.463 84 Q N 3.024 122.891 119.800 0.111 0.000 2.313 84 Q HA 0.182 4.522 4.340 -0.000 0.000 0.260 84 Q C -1.023 175.004 176.000 0.044 0.000 0.972 84 Q CA -0.434 55.407 55.803 0.064 0.000 0.886 84 Q CB 1.246 30.009 28.738 0.041 0.000 1.373 84 Q HN 0.723 nan 8.270 nan 0.000 0.416 85 D N 2.735 123.160 120.400 0.043 0.000 2.981 85 D HA -0.214 4.426 4.640 -0.000 0.000 0.223 85 D C 0.670 176.995 176.300 0.042 0.000 1.151 85 D CA 1.728 55.745 54.000 0.028 0.000 0.827 85 D CB -0.901 39.900 40.800 0.002 0.000 1.101 85 D HN 1.116 nan 8.370 nan 0.000 0.426 86 G N -1.356 107.495 108.800 0.085 0.000 2.267 86 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 86 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 86 G C 0.707 175.721 174.900 0.191 0.000 0.998 86 G CA 0.888 46.067 45.100 0.130 0.000 0.620 86 G HN 0.849 nan 8.290 nan 0.000 0.529 87 G N -0.632 108.202 108.800 0.057 0.000 2.940 87 G HA2 0.794 4.754 3.960 -0.000 0.000 0.164 87 G HA3 0.794 4.754 3.960 -0.000 0.000 0.164 87 G C -0.482 174.353 174.900 -0.107 0.000 1.326 87 G CA -0.127 44.883 45.100 -0.150 0.000 1.020 87 G HN 1.391 nan 8.290 nan 0.000 0.586 88 Y N -1.979 118.081 120.300 -0.400 0.000 2.504 88 Y HA 0.697 5.247 4.550 -0.000 0.000 0.344 88 Y C -0.904 174.954 175.900 -0.070 0.000 1.023 88 Y CA -1.756 56.230 58.100 -0.190 0.000 1.020 88 Y CB 1.243 39.567 38.460 -0.227 0.000 1.282 88 Y HN 0.455 nan 8.280 nan 0.000 0.454 89 L N 4.481 125.743 121.223 0.065 0.000 2.462 89 L HA 0.323 4.662 4.340 -0.000 0.000 0.272 89 L C -1.326 175.637 176.870 0.154 0.000 1.166 89 L CA 0.381 55.243 54.840 0.037 0.000 0.880 89 L CB -0.122 41.977 42.059 0.066 0.000 1.142 89 L HN 0.754 nan 8.230 nan 0.000 0.473 90 Y N 4.314 124.549 120.300 -0.109 0.000 2.358 90 Y HA 0.241 4.791 4.550 -0.000 0.000 0.324 90 Y C -0.492 175.368 175.900 -0.065 0.000 1.123 90 Y CA -1.203 56.867 58.100 -0.050 0.000 1.067 90 Y CB 0.893 39.277 38.460 -0.127 0.000 1.230 90 Y HN 0.761 nan 8.280 nan 0.000 0.429 91 D N 4.684 124.841 120.400 -0.406 0.000 2.735 91 D HA -0.180 4.460 4.640 -0.000 0.000 0.235 91 D C 1.296 177.522 176.300 -0.123 0.000 1.175 91 D CA 2.188 56.019 54.000 -0.280 0.000 0.683 91 D CB -0.990 39.625 40.800 -0.309 0.000 1.008 91 D HN 1.306 nan 8.370 nan 0.000 0.416 92 G N -0.573 108.179 108.800 -0.081 0.000 2.270 92 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.268 92 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.268 92 G C 0.210 175.083 174.900 -0.044 0.000 0.982 92 G CA 0.822 45.892 45.100 -0.049 0.000 0.628 92 G HN 0.506 nan 8.290 nan 0.000 0.544 93 Q N 0.024 119.793 119.800 -0.052 0.000 2.312 93 Q HA 0.591 4.931 4.340 -0.000 0.000 0.263 93 Q C -0.034 175.906 176.000 -0.101 0.000 0.995 93 Q CA -0.794 54.971 55.803 -0.063 0.000 0.853 93 Q CB 2.651 31.353 28.738 -0.060 0.000 1.300 93 Q HN 0.154 nan 8.270 nan 0.000 0.448 94 V N 2.836 122.683 119.914 -0.112 0.000 2.521 94 V HA 0.156 4.276 4.120 -0.000 0.000 0.286 94 V C 0.396 176.338 176.094 -0.252 0.000 1.034 94 V CA 0.252 62.448 62.300 -0.173 0.000 1.045 94 V CB 0.558 32.314 31.823 -0.111 0.000 0.974 94 V HN 0.566 nan 8.190 nan 0.000 0.480 95 R N 6.581 126.800 120.500 -0.469 0.000 2.561 95 R HA 0.534 4.874 4.340 -0.000 0.000 0.297 95 R C -2.851 173.093 176.300 -0.593 0.000 0.969 95 R CA -1.856 53.919 56.100 -0.543 0.000 0.879 95 R CB 2.539 32.400 30.300 -0.732 0.000 1.178 95 R HN 0.433 nan 8.270 nan 0.000 0.445 96 P HA 0.194 nan 4.420 nan 0.000 0.276 96 P C -0.910 176.344 177.300 -0.078 0.000 1.244 96 P CA -0.229 62.765 63.100 -0.176 0.000 0.801 96 P CB 0.496 32.161 31.700 -0.058 0.000 1.006 97 F N -0.270 119.775 119.950 0.158 0.000 2.410 97 F HA 0.161 4.688 4.527 -0.000 0.000 0.334 97 F C 1.446 177.270 175.800 0.040 0.000 1.134 97 F CA -0.151 57.927 58.000 0.129 0.000 1.227 97 F CB 0.322 39.357 39.000 0.058 0.000 1.194 97 F HN 0.214 nan 8.300 nan 0.000 0.571 98 E N 2.223 122.551 120.200 0.214 0.000 2.316 98 E HA 0.288 4.638 4.350 -0.000 0.000 0.275 98 E C -0.665 175.984 176.600 0.082 0.000 1.029 98 E CA -0.260 56.200 56.400 0.101 0.000 0.871 98 E CB 0.748 30.475 29.700 0.046 0.000 1.022 98 E HN 0.421 nan 8.360 nan 0.000 0.418 99 R N 2.420 122.949 120.500 0.048 0.000 2.534 99 R HA 0.408 4.747 4.340 -0.000 0.000 0.301 99 R C -0.503 175.793 176.300 -0.006 0.000 0.961 99 R CA -0.734 55.370 56.100 0.007 0.000 0.871 99 R CB 1.594 31.904 30.300 0.016 0.000 1.170 99 R HN 0.541 nan 8.270 nan 0.000 0.446 100 R N 1.259 121.745 120.500 -0.023 0.000 2.750 100 R HA 0.383 4.723 4.340 -0.000 0.000 0.281 100 R C -0.990 175.297 176.300 -0.023 0.000 0.972 100 R CA -1.225 54.864 56.100 -0.018 0.000 0.912 100 R CB 1.562 31.853 30.300 -0.015 0.000 1.187 100 R HN 0.228 nan 8.270 nan 0.000 0.464 101 Q N 1.508 121.298 119.800 -0.016 0.000 2.360 101 Q HA 0.474 4.813 4.340 -0.000 0.000 0.254 101 Q C -0.569 175.426 176.000 -0.008 0.000 0.975 101 Q CA -0.349 55.445 55.803 -0.016 0.000 0.912 101 Q CB 1.667 30.395 28.738 -0.016 0.000 1.212 101 Q HN 0.751 nan 8.270 nan 0.000 0.452 102 A N 2.097 124.918 122.820 0.001 0.000 2.309 102 A HA 0.900 5.220 4.320 -0.000 0.000 0.317 102 A C -0.307 177.291 177.584 0.023 0.000 1.134 102 A CA -0.416 51.632 52.037 0.018 0.000 0.866 102 A CB 1.201 20.222 19.000 0.034 0.000 1.329 102 A HN 0.746 nan 8.150 nan 0.000 0.477 103 S N -1.449 114.274 115.700 0.039 0.000 2.607 103 S HA 0.817 5.287 4.470 -0.000 0.000 0.273 103 S C -1.057 173.602 174.600 0.098 0.000 1.148 103 S CA -0.532 57.669 58.200 0.002 0.000 0.833 103 S CB 1.156 64.321 63.200 -0.059 0.000 1.130 103 S HN 1.685 nan 8.310 nan 0.000 0.470 104 Y N -1.372 118.922 120.300 -0.010 0.000 2.588 104 Y HA 0.868 5.418 4.550 -0.000 0.000 0.343 104 Y C -0.857 175.038 175.900 -0.008 0.000 1.065 104 Y CA -1.457 56.638 58.100 -0.008 0.000 1.038 104 Y CB 0.821 39.277 38.460 -0.006 0.000 1.297 104 Y HN 0.645 nan 8.280 nan 0.000 0.467 105 R N 1.549 122.126 120.500 0.128 0.000 2.404 105 R HA 0.585 4.924 4.340 -0.000 0.000 0.291 105 R C -1.530 174.863 176.300 0.154 0.000 1.025 105 R CA -0.684 55.447 56.100 0.051 0.000 0.991 105 R CB 1.241 31.564 30.300 0.038 0.000 1.053 105 R HN 0.724 nan 8.270 nan 0.000 0.479 106 L N 2.114 123.379 121.223 0.070 0.000 2.325 106 L HA 0.413 4.753 4.340 -0.000 0.000 0.281 106 L C -0.381 176.519 176.870 0.050 0.000 1.004 106 L CA -0.378 54.526 54.840 0.107 0.000 0.823 106 L CB 1.267 43.386 42.059 0.099 0.000 1.236 106 L HN 0.451 nan 8.230 nan 0.000 0.415 107 R N 3.970 124.499 120.500 0.049 0.000 2.449 107 R HA 0.188 4.528 4.340 -0.000 0.000 0.296 107 R C -0.663 175.648 176.300 0.020 0.000 1.047 107 R CA -0.185 55.931 56.100 0.026 0.000 1.018 107 R CB 0.556 30.869 30.300 0.021 0.000 0.962 107 R HN 0.651 nan 8.270 nan 0.000 0.428 108 Q N 1.646 121.452 119.800 0.010 0.000 2.205 108 Q HA 0.203 4.543 4.340 -0.000 0.000 0.249 108 Q C 0.970 176.972 176.000 0.004 0.000 0.948 108 Q CA -0.121 55.686 55.803 0.006 0.000 0.895 108 Q CB 1.486 30.225 28.738 0.001 0.000 1.249 108 Q HN 0.711 nan 8.270 nan 0.000 0.458 109 A N 1.990 124.811 122.820 0.003 0.000 2.009 109 A HA -0.254 4.066 4.320 -0.000 0.000 0.222 109 A C 1.071 178.655 177.584 -0.001 0.000 1.175 109 A CA 2.457 54.494 52.037 0.001 0.000 0.651 109 A CB -0.615 18.385 19.000 -0.000 0.000 0.815 109 A HN 0.830 nan 8.150 nan 0.000 0.459 110 D N -3.237 117.162 120.400 -0.001 0.000 2.319 110 D HA 0.365 5.005 4.640 -0.000 0.000 0.230 110 D C 1.107 177.405 176.300 -0.002 0.000 1.094 110 D CA 0.876 54.874 54.000 -0.002 0.000 0.856 110 D CB -0.251 40.547 40.800 -0.003 0.000 0.915 110 D HN 0.691 nan 8.370 nan 0.000 0.517 111 G N 0.034 108.833 108.800 -0.001 0.000 2.253 111 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.251 111 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.251 111 G C 0.670 175.570 174.900 -0.000 0.000 0.998 111 G CA 0.566 45.665 45.100 -0.001 0.000 0.621 111 G HN 0.800 nan 8.290 nan 0.000 0.524 112 T N -0.310 114.243 114.554 -0.001 0.000 2.788 112 T HA 0.600 4.950 4.350 -0.000 0.000 0.287 112 T C 0.395 175.095 174.700 -0.000 0.000 1.007 112 T CA 0.776 62.875 62.100 -0.002 0.000 1.005 112 T CB 1.614 70.479 68.868 -0.005 0.000 1.012 112 T HN 1.243 nan 8.240 nan 0.000 0.530 113 T N -0.880 113.673 114.554 -0.002 0.000 2.856 113 T HA 0.631 4.981 4.350 -0.000 0.000 0.283 113 T C 0.180 174.872 174.700 -0.013 0.000 1.008 113 T CA -0.800 61.299 62.100 -0.001 0.000 0.997 113 T CB 1.176 70.047 68.868 0.005 0.000 0.992 113 T HN 1.085 nan 8.240 nan 0.000 0.454 114 V N -0.683 119.218 119.914 -0.022 0.000 2.716 114 V HA 0.650 4.770 4.120 -0.000 0.000 0.304 114 V C -0.549 175.502 176.094 -0.072 0.000 1.053 114 V CA -0.912 61.363 62.300 -0.042 0.000 0.984 114 V CB 1.285 33.082 31.823 -0.043 0.000 1.021 114 V HN 0.924 nan 8.190 nan 0.000 0.467 115 D N 2.053 122.402 120.400 -0.084 0.000 2.280 115 D HA 0.406 5.046 4.640 -0.000 0.000 0.243 115 D C -0.377 175.811 176.300 -0.186 0.000 1.129 115 D CA -0.066 53.862 54.000 -0.121 0.000 0.848 115 D CB 0.902 41.652 40.800 -0.083 0.000 1.107 115 D HN 0.643 nan 8.370 nan 0.000 0.471 116 K N 4.488 124.687 120.400 -0.334 0.000 2.358 116 K HA 0.369 4.689 4.320 -0.000 0.000 0.260 116 K C -2.397 173.956 176.600 -0.412 0.000 0.956 116 K CA -1.943 54.084 56.287 -0.433 0.000 0.834 116 K CB 1.896 33.994 32.500 -0.671 0.000 1.102 116 K HN 0.357 nan 8.250 nan 0.000 0.431 117 P HA 0.040 nan 4.420 nan 0.000 0.271 117 P C -1.022 176.228 177.300 -0.084 0.000 1.218 117 P CA -0.440 62.584 63.100 -0.126 0.000 0.780 117 P CB 0.775 32.426 31.700 -0.081 0.000 0.901 118 L N 1.427 122.641 121.223 -0.014 0.000 2.568 118 L HA 0.335 4.675 4.340 -0.000 0.000 0.262 118 L C -0.232 176.643 176.870 0.009 0.000 0.980 118 L CA -0.563 54.308 54.840 0.052 0.000 0.882 118 L CB 1.291 43.467 42.059 0.196 0.000 1.198 118 L HN 0.315 nan 8.230 nan 0.000 0.425 119 E N 4.446 124.633 120.200 -0.023 0.000 2.376 119 E HA 0.308 4.658 4.350 -0.000 0.000 0.266 119 E C -0.946 175.603 176.600 -0.085 0.000 1.009 119 E CA -0.063 56.305 56.400 -0.054 0.000 0.902 119 E CB 0.692 30.350 29.700 -0.071 0.000 0.972 119 E HN 0.654 nan 8.360 nan 0.000 0.439 120 I N 5.624 126.139 120.570 -0.092 0.000 2.382 120 I HA 0.321 4.491 4.170 -0.000 0.000 0.285 120 I C -0.038 175.990 176.117 -0.150 0.000 1.007 120 I CA -0.536 60.683 61.300 -0.135 0.000 1.142 120 I CB 1.261 39.205 38.000 -0.095 0.000 1.289 120 I HN 0.375 nan 8.210 nan 0.000 0.453 121 R N 4.058 124.419 120.500 -0.233 0.000 2.532 121 R HA 0.723 5.063 4.340 -0.000 0.000 0.295 121 R C -0.842 175.336 176.300 -0.204 0.000 0.968 121 R CA -0.629 55.327 56.100 -0.239 0.000 0.916 121 R CB 2.293 32.311 30.300 -0.470 0.000 1.124 121 R HN 0.500 nan 8.270 nan 0.000 0.463 122 S N 0.477 116.149 115.700 -0.046 0.000 2.548 122 S HA 0.386 4.855 4.470 -0.000 0.000 0.286 122 S C -0.432 174.250 174.600 0.137 0.000 1.098 122 S CA -0.911 57.287 58.200 -0.003 0.000 0.930 122 S CB 1.994 65.180 63.200 -0.023 0.000 1.070 122 S HN 0.707 nan 8.310 nan 0.000 0.480 123 S N 0.572 116.286 115.700 0.024 0.000 2.745 123 S HA 0.461 4.931 4.470 -0.000 0.000 0.292 123 S C 1.564 176.078 174.600 -0.144 0.000 1.127 123 S CA -0.370 57.742 58.200 -0.147 0.000 1.007 123 S CB -0.060 62.832 63.200 -0.513 0.000 1.165 123 S HN 0.646 nan 8.310 nan 0.000 0.544 124 V N -0.117 119.634 119.914 -0.272 0.000 2.370 124 V HA -0.264 3.856 4.120 -0.000 0.000 0.252 124 V C 2.189 178.031 176.094 -0.420 0.000 1.068 124 V CA 2.413 64.462 62.300 -0.418 0.000 1.061 124 V CB -2.173 29.220 31.823 -0.716 0.000 0.656 124 V HN 0.924 nan 8.190 nan 0.000 0.455 125 H N 1.160 120.034 119.070 -0.326 0.000 2.299 125 H HA 0.450 5.006 4.556 -0.000 0.000 0.302 125 H C 1.288 176.514 175.328 -0.170 0.000 1.078 125 H CA 1.340 57.182 56.048 -0.343 0.000 1.323 125 H CB -0.228 29.266 29.762 -0.447 0.000 1.381 125 H HN 0.724 nan 8.280 nan 0.000 0.498 126 G N -1.490 107.328 108.800 0.029 0.000 2.333 126 G HA2 0.182 4.141 3.960 -0.000 0.000 0.288 126 G HA3 0.182 4.141 3.960 -0.000 0.000 0.288 126 G C -2.903 172.001 174.900 0.008 0.000 1.286 126 G CA -1.179 43.939 45.100 0.030 0.000 0.865 126 G HN -0.136 nan 8.290 nan 0.000 0.506 127 P HA 0.387 nan 4.420 nan 0.000 0.267 127 P C -0.251 176.927 177.300 -0.204 0.000 1.200 127 P CA -0.174 62.847 63.100 -0.131 0.000 0.772 127 P CB 1.053 32.682 31.700 -0.118 0.000 0.855 128 V N 3.977 123.653 119.914 -0.397 0.000 2.435 128 V HA 0.439 4.559 4.120 -0.000 0.000 0.290 128 V C -0.194 175.536 176.094 -0.605 0.000 1.030 128 V CA -0.203 61.884 62.300 -0.355 0.000 0.881 128 V CB 0.602 32.225 31.823 -0.333 0.000 0.983 128 V HN 0.353 nan 8.190 nan 0.000 0.445 129 F N 1.914 121.818 119.950 -0.077 0.000 2.520 129 F HA 0.487 5.014 4.527 -0.000 0.000 0.322 129 F C 0.248 176.012 175.800 -0.060 0.000 1.103 129 F CA -0.635 57.327 58.000 -0.064 0.000 0.926 129 F CB 1.896 40.871 39.000 -0.042 0.000 1.154 129 F HN 0.485 nan 8.300 nan 0.000 0.453 130 E N 3.816 124.086 120.200 0.116 0.000 2.115 130 E HA 0.341 4.691 4.350 -0.000 0.000 0.282 130 E C -0.446 176.199 176.600 0.074 0.000 0.987 130 E CA -0.627 55.810 56.400 0.063 0.000 0.797 130 E CB 0.755 30.465 29.700 0.015 0.000 1.086 130 E HN 0.558 nan 8.360 nan 0.000 0.397 131 R N 2.475 123.006 120.500 0.053 0.000 2.679 131 R HA 0.189 4.529 4.340 -0.000 0.000 0.269 131 R C 1.070 177.381 176.300 0.020 0.000 1.076 131 R CA 0.379 56.496 56.100 0.028 0.000 1.160 131 R CB 0.633 30.941 30.300 0.013 0.000 1.054 131 R HN 0.719 nan 8.270 nan 0.000 0.507 132 A N 1.659 124.486 122.820 0.011 0.000 2.076 132 A HA -0.204 4.115 4.320 -0.000 0.000 0.220 132 A C 1.267 178.856 177.584 0.007 0.000 1.160 132 A CA 2.003 54.045 52.037 0.008 0.000 0.653 132 A CB -0.459 18.543 19.000 0.003 0.000 0.801 132 A HN 0.857 nan 8.150 nan 0.000 0.455 133 D N -3.127 117.278 120.400 0.007 0.000 2.350 133 D HA 0.297 4.937 4.640 -0.000 0.000 0.213 133 D C 1.186 177.493 176.300 0.012 0.000 1.031 133 D CA 1.077 55.081 54.000 0.007 0.000 0.861 133 D CB -0.272 40.530 40.800 0.003 0.000 0.926 133 D HN 0.724 nan 8.370 nan 0.000 0.520 134 G N -0.435 108.374 108.800 0.015 0.000 2.238 134 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 134 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 134 G C 0.425 175.340 174.900 0.025 0.000 0.996 134 G CA 0.065 45.177 45.100 0.020 0.000 0.632 134 G HN 0.399 nan 8.290 nan 0.000 0.503 135 T N 2.271 116.839 114.554 0.023 0.000 2.792 135 T HA 0.457 4.807 4.350 -0.000 0.000 0.286 135 T C 0.707 175.428 174.700 0.035 0.000 0.970 135 T CA 0.781 62.898 62.100 0.027 0.000 1.187 135 T CB 1.190 70.067 68.868 0.016 0.000 0.915 135 T HN 1.387 nan 8.240 nan 0.000 0.529 136 A N 4.337 127.183 122.820 0.043 0.000 2.309 136 A HA 0.563 4.883 4.320 -0.000 0.000 0.290 136 A C -0.042 177.570 177.584 0.047 0.000 1.206 136 A CA -0.585 51.477 52.037 0.042 0.000 0.850 136 A CB 0.300 19.333 19.000 0.055 0.000 1.118 136 A HN 0.694 nan 8.150 nan 0.000 0.523 137 V N 2.058 122.011 119.914 0.064 0.000 2.540 137 V HA 0.688 4.808 4.120 -0.000 0.000 0.302 137 V C 0.377 176.539 176.094 0.112 0.000 1.035 137 V CA -0.386 61.962 62.300 0.079 0.000 0.873 137 V CB 1.518 33.392 31.823 0.086 0.000 0.992 137 V HN 1.130 nan 8.190 nan 0.000 0.428 138 A N 3.960 126.829 122.820 0.081 0.000 2.304 138 A HA 0.806 5.126 4.320 -0.000 0.000 0.323 138 A C -0.714 177.000 177.584 0.216 0.000 1.195 138 A CA -0.603 51.497 52.037 0.105 0.000 0.826 138 A CB 1.650 20.648 19.000 -0.003 0.000 1.184 138 A HN 0.865 nan 8.150 nan 0.000 0.496 139 V N 3.391 123.454 119.914 0.249 0.000 2.435 139 V HA 0.640 4.760 4.120 -0.000 0.000 0.290 139 V C 0.005 176.249 176.094 0.250 0.000 1.030 139 V CA -0.679 61.769 62.300 0.247 0.000 0.881 139 V CB 1.330 33.280 31.823 0.213 0.000 0.983 139 V HN 0.917 nan 8.190 nan 0.000 0.445 140 R N 5.081 125.765 120.500 0.306 0.000 2.337 140 R HA 0.654 4.994 4.340 -0.000 0.000 0.319 140 R C -1.726 174.805 176.300 0.386 0.000 0.954 140 R CA -0.442 55.826 56.100 0.279 0.000 0.840 140 R CB 1.656 32.118 30.300 0.270 0.000 1.164 140 R HN 0.598 nan 8.270 nan 0.000 0.472 141 V N 4.191 124.286 119.914 0.301 0.000 2.370 141 V HA 0.473 4.593 4.120 -0.000 0.000 0.283 141 V C 0.562 176.879 176.094 0.372 0.000 1.023 141 V CA -0.866 61.611 62.300 0.296 0.000 0.857 141 V CB 1.267 33.187 31.823 0.162 0.000 0.985 141 V HN 0.948 nan 8.190 nan 0.000 0.443 142 A N 3.639 126.685 122.820 0.376 0.000 2.466 142 A HA 0.541 4.861 4.320 -0.000 0.000 0.238 142 A C 1.476 179.145 177.584 0.142 0.000 1.074 142 A CA 0.549 52.744 52.037 0.263 0.000 0.774 142 A CB -0.258 18.708 19.000 -0.056 0.000 1.015 142 A HN 2.268 nan 8.150 nan 0.000 0.498 143 G N 0.157 109.031 108.800 0.123 0.000 2.198 143 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.260 143 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.260 143 G C 0.504 175.441 174.900 0.062 0.000 1.025 143 G CA 0.519 45.659 45.100 0.067 0.000 0.769 143 G HN 0.849 nan 8.290 nan 0.000 0.507 144 L N 0.332 121.603 121.223 0.080 0.000 2.456 144 L HA 0.056 4.396 4.340 -0.000 0.000 0.224 144 L C 2.014 178.910 176.870 0.044 0.000 1.148 144 L CA 1.409 56.285 54.840 0.060 0.000 0.825 144 L CB -0.159 41.938 42.059 0.064 0.000 0.937 144 L HN 0.486 nan 8.230 nan 0.000 0.450 145 D N -1.084 119.343 120.400 0.045 0.000 2.427 145 D HA -0.018 4.621 4.640 -0.000 0.000 0.224 145 D C 0.386 176.701 176.300 0.024 0.000 1.157 145 D CA -0.184 53.835 54.000 0.032 0.000 0.828 145 D CB 0.198 41.018 40.800 0.034 0.000 0.974 145 D HN 0.036 nan 8.370 nan 0.000 0.498 146 R N 1.892 122.406 120.500 0.024 0.000 2.471 146 R HA 0.266 4.606 4.340 -0.000 0.000 0.292 146 R C -1.825 174.485 176.300 0.016 0.000 1.192 146 R CA -1.538 54.571 56.100 0.015 0.000 1.257 146 R CB 0.832 31.138 30.300 0.009 0.000 1.130 146 R HN 0.123 nan 8.270 nan 0.000 0.558 147 P HA 0.070 nan 4.420 nan 0.000 0.251 147 P C 0.713 178.023 177.300 0.017 0.000 1.223 147 P CA 0.390 63.500 63.100 0.015 0.000 0.796 147 P CB 0.560 32.267 31.700 0.012 0.000 1.068 148 G N 0.101 108.910 108.800 0.014 0.000 3.518 148 G HA2 0.041 4.001 3.960 -0.000 0.000 0.273 148 G HA3 0.041 4.001 3.960 -0.000 0.000 0.273 148 G C 1.046 175.962 174.900 0.028 0.000 1.199 148 G CA -0.185 44.926 45.100 0.017 0.000 0.899 148 G HN 0.019 nan 8.290 nan 0.000 0.533 149 M N 0.246 119.872 119.600 0.043 0.000 2.065 149 M HA -0.049 4.431 4.480 -0.000 0.000 0.259 149 M C 2.351 178.738 176.300 0.145 0.000 1.071 149 M CA 1.557 56.904 55.300 0.079 0.000 1.109 149 M CB -0.575 32.090 32.600 0.107 0.000 1.313 149 M HN 0.315 nan 8.290 nan 0.000 0.408 150 L N -0.227 121.075 121.223 0.132 0.000 1.990 150 L HA -0.261 4.079 4.340 -0.000 0.000 0.213 150 L C 2.519 179.486 176.870 0.163 0.000 1.072 150 L CA 2.028 56.956 54.840 0.147 0.000 0.755 150 L CB -0.926 41.173 42.059 0.067 0.000 0.889 150 L HN 0.437 nan 8.230 nan 0.000 0.432 151 E N -0.272 119.991 120.200 0.105 0.000 2.153 151 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 151 E C 2.200 178.891 176.600 0.152 0.000 0.988 151 E CA 1.033 57.514 56.400 0.134 0.000 0.811 151 E CB 0.052 29.796 29.700 0.073 0.000 0.746 151 E HN 0.450 nan 8.360 nan 0.000 0.466 152 Q N -0.473 119.372 119.800 0.076 0.000 2.030 152 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 152 Q C 1.822 177.824 176.000 0.003 0.000 0.986 152 Q CA 1.718 57.514 55.803 -0.011 0.000 0.843 152 Q CB -0.219 28.457 28.738 -0.104 0.000 0.904 152 Q HN 0.450 nan 8.270 nan 0.000 0.420 153 Y N -0.666 119.665 120.300 0.050 0.000 2.165 153 Y HA -0.283 4.267 4.550 -0.000 0.000 0.286 153 Y C 2.088 178.035 175.900 0.078 0.000 1.155 153 Y CA 1.375 59.509 58.100 0.058 0.000 1.164 153 Y CB -0.222 38.274 38.460 0.059 0.000 0.978 153 Y HN 0.282 nan 8.280 nan 0.000 0.513 154 F N 1.095 121.121 119.950 0.126 0.000 2.161 154 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 154 F C 1.863 177.646 175.800 -0.028 0.000 1.089 154 F CA 1.817 59.819 58.000 0.002 0.000 1.282 154 F CB -0.348 38.614 39.000 -0.064 0.000 1.010 154 F HN 0.026 nan 8.300 nan 0.000 0.485 155 D N -0.131 120.230 120.400 -0.065 0.000 2.162 155 D HA -0.113 4.527 4.640 -0.000 0.000 0.203 155 D C 2.361 178.603 176.300 -0.097 0.000 0.967 155 D CA 1.235 55.142 54.000 -0.155 0.000 0.840 155 D CB -0.285 40.492 40.800 -0.039 0.000 0.972 155 D HN 0.342 nan 8.370 nan 0.000 0.482 156 M N 0.649 120.241 119.600 -0.013 0.000 2.080 156 M HA -0.105 4.375 4.480 -0.000 0.000 0.260 156 M C 2.302 178.749 176.300 0.245 0.000 1.068 156 M CA 1.273 56.663 55.300 0.151 0.000 1.109 156 M CB -0.327 32.359 32.600 0.143 0.000 1.342 156 M HN 0.068 nan 8.290 nan 0.000 0.405 157 I N -2.030 118.612 120.570 0.121 0.000 3.111 157 I HA -0.044 4.126 4.170 -0.000 0.000 0.272 157 I C 1.456 177.564 176.117 -0.015 0.000 1.268 157 I CA 1.408 62.768 61.300 0.099 0.000 1.467 157 I CB -0.695 37.370 38.000 0.108 0.000 1.087 157 I HN 0.288 nan 8.210 nan 0.000 0.467 158 T N -1.315 113.131 114.554 -0.180 0.000 3.085 158 T HA 0.536 4.885 4.350 -0.000 0.000 0.264 158 T C 0.936 175.591 174.700 -0.075 0.000 1.019 158 T CA 0.108 62.086 62.100 -0.202 0.000 0.910 158 T CB -0.210 68.320 68.868 -0.562 0.000 1.059 158 T HN 0.365 nan 8.240 nan 0.000 0.542 159 A N 1.806 124.632 122.820 0.010 0.000 2.598 159 A HA 0.125 4.444 4.320 -0.000 0.000 0.239 159 A C 0.984 178.626 177.584 0.096 0.000 1.032 159 A CA 0.162 52.249 52.037 0.084 0.000 0.760 159 A CB -0.054 19.076 19.000 0.216 0.000 0.946 159 A HN 0.372 nan 8.150 nan 0.000 0.512 160 D N 0.092 120.538 120.400 0.077 0.000 2.349 160 D HA 0.141 4.781 4.640 -0.000 0.000 0.215 160 D C 0.509 176.868 176.300 0.098 0.000 1.016 160 D CA 1.454 55.502 54.000 0.080 0.000 0.870 160 D CB 0.110 40.946 40.800 0.060 0.000 0.917 160 D HN 0.711 nan 8.370 nan 0.000 0.524 161 S N -1.573 114.202 115.700 0.125 0.000 2.587 161 S HA 0.203 4.673 4.470 -0.000 0.000 0.269 161 S C 0.283 175.008 174.600 0.208 0.000 1.154 161 S CA -0.856 57.435 58.200 0.153 0.000 0.824 161 S CB 0.582 63.842 63.200 0.100 0.000 1.118 161 S HN -0.137 nan 8.310 nan 0.000 0.462 162 F N 1.960 121.947 119.950 0.061 0.000 2.126 162 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 162 F C 1.699 177.480 175.800 -0.030 0.000 1.096 162 F CA 2.223 60.181 58.000 -0.071 0.000 1.255 162 F CB -0.627 38.307 39.000 -0.108 0.000 0.997 162 F HN 0.709 nan 8.300 nan 0.000 0.479 163 D N 0.316 120.645 120.400 -0.119 0.000 2.123 163 D HA -0.201 4.439 4.640 -0.000 0.000 0.196 163 D C 1.930 178.123 176.300 -0.178 0.000 0.992 163 D CA 1.683 55.562 54.000 -0.203 0.000 0.833 163 D CB -0.535 40.223 40.800 -0.071 0.000 0.954 163 D HN 0.372 nan 8.370 nan 0.000 0.455 164 D N -0.315 120.041 120.400 -0.073 0.000 2.097 164 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 164 D C 2.015 178.266 176.300 -0.082 0.000 0.984 164 D CA 0.576 54.543 54.000 -0.055 0.000 0.826 164 D CB -0.490 40.312 40.800 0.003 0.000 0.973 164 D HN 0.282 nan 8.370 nan 0.000 0.460 165 Y N 2.091 122.290 120.300 -0.168 0.000 2.081 165 Y HA -0.243 4.307 4.550 -0.000 0.000 0.280 165 Y C 2.193 177.910 175.900 -0.305 0.000 1.163 165 Y CA 1.937 59.922 58.100 -0.191 0.000 1.135 165 Y CB -0.209 38.143 38.460 -0.179 0.000 0.970 165 Y HN -0.042 nan 8.280 nan 0.000 0.498 166 E N -0.167 119.713 120.200 -0.533 0.000 2.110 166 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 166 E C 2.348 178.703 176.600 -0.409 0.000 0.988 166 E CA 0.896 56.936 56.400 -0.601 0.000 0.804 166 E CB -0.340 28.938 29.700 -0.702 0.000 0.745 166 E HN 0.618 nan 8.360 nan 0.000 0.458 167 A N 1.247 123.886 122.820 -0.301 0.000 1.933 167 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 167 A C 2.321 179.779 177.584 -0.210 0.000 1.175 167 A CA 1.707 53.620 52.037 -0.207 0.000 0.628 167 A CB -0.472 18.444 19.000 -0.141 0.000 0.814 167 A HN 0.309 nan 8.150 nan 0.000 0.444 168 A N -0.617 122.053 122.820 -0.251 0.000 1.872 168 A HA 0.040 4.360 4.320 -0.000 0.000 0.214 168 A C 2.077 179.485 177.584 -0.294 0.000 1.187 168 A CA 1.544 53.443 52.037 -0.231 0.000 0.614 168 A CB -0.616 18.259 19.000 -0.208 0.000 0.826 168 A HN 0.648 nan 8.150 nan 0.000 0.442 169 L N -0.095 120.855 121.223 -0.455 0.000 2.127 169 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 169 L C 2.490 179.194 176.870 -0.276 0.000 1.089 169 L CA 2.019 56.595 54.840 -0.439 0.000 0.757 169 L CB -0.547 41.138 42.059 -0.624 0.000 0.899 169 L HN 0.337 nan 8.230 nan 0.000 0.434 170 A N -0.777 121.899 122.820 -0.240 0.000 2.168 170 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 170 A C 2.191 179.705 177.584 -0.117 0.000 1.152 170 A CA 0.790 52.733 52.037 -0.158 0.000 0.716 170 A CB -0.561 18.355 19.000 -0.141 0.000 0.794 170 A HN 0.518 nan 8.150 nan 0.000 0.465 171 R N -0.936 119.490 120.500 -0.123 0.000 2.293 171 R HA -0.038 4.302 4.340 -0.000 0.000 0.219 171 R C 0.021 176.277 176.300 -0.074 0.000 1.091 171 R CA 0.641 56.689 56.100 -0.087 0.000 1.004 171 R CB -0.405 29.846 30.300 -0.082 0.000 0.865 171 R HN 0.375 nan 8.270 nan 0.000 0.469 172 M N 0.563 120.109 119.600 -0.090 0.000 2.302 172 M HA -0.235 4.245 4.480 -0.000 0.000 0.200 172 M C 0.017 176.281 176.300 -0.060 0.000 0.366 172 M CA 0.968 56.224 55.300 -0.073 0.000 0.440 172 M CB -1.793 30.781 32.600 -0.044 0.000 1.475 172 M HN 0.223 nan 8.290 nan 0.000 0.905 173 Q N -0.831 118.925 119.800 -0.074 0.000 2.384 173 Q HA 0.282 4.622 4.340 -0.000 0.000 0.207 173 Q C 0.717 176.690 176.000 -0.044 0.000 0.904 173 Q CA 0.418 56.192 55.803 -0.048 0.000 0.933 173 Q CB 0.840 29.555 28.738 -0.038 0.000 1.077 173 Q HN 0.540 nan 8.270 nan 0.000 0.522 174 V N 4.897 124.757 119.914 -0.090 0.000 2.334 174 V HA 0.125 4.244 4.120 -0.000 0.000 0.267 174 V C -1.601 174.466 176.094 -0.046 0.000 1.040 174 V CA -1.015 61.248 62.300 -0.061 0.000 0.866 174 V CB 1.365 33.062 31.823 -0.209 0.000 1.019 174 V HN 0.054 nan 8.190 nan 0.000 0.468 175 P HA 0.090 nan 4.420 nan 0.000 0.245 175 P C 0.440 177.640 177.300 -0.168 0.000 1.212 175 P CA 0.667 63.718 63.100 -0.082 0.000 0.774 175 P CB 0.661 32.326 31.700 -0.058 0.000 0.999 176 T N -1.448 112.973 114.554 -0.222 0.000 2.658 176 T HA 0.550 4.900 4.350 -0.000 0.000 0.305 176 T C -1.908 172.598 174.700 -0.325 0.000 1.551 176 T CA -0.361 61.483 62.100 -0.425 0.000 0.985 176 T CB 0.224 68.687 68.868 -0.674 0.000 1.731 176 T HN -0.096 nan 8.240 nan 0.000 0.486 177 F N 0.233 120.073 119.950 -0.183 0.000 2.183 177 F HA -0.091 4.435 4.527 -0.000 0.000 0.320 177 F C 0.127 175.779 175.800 -0.245 0.000 1.297 177 F CA -0.911 57.001 58.000 -0.146 0.000 0.918 177 F CB -0.237 38.743 39.000 -0.033 0.000 4.128 177 F HN 0.535 nan 8.300 nan 0.000 0.147 178 N N 3.504 122.225 118.700 0.035 0.000 2.520 178 N HA 0.627 5.367 4.740 -0.000 0.000 0.273 178 N C -0.567 174.982 175.510 0.066 0.000 1.155 178 N CA 0.036 53.090 53.050 0.006 0.000 0.967 178 N CB 1.099 39.720 38.487 0.222 0.000 1.092 178 N HN 0.448 nan 8.380 nan 0.000 0.457 179 I N 1.416 121.977 120.570 -0.014 0.000 2.533 179 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 179 I C -0.472 175.727 176.117 0.136 0.000 1.056 179 I CA -0.941 60.405 61.300 0.076 0.000 1.057 179 I CB 2.066 40.118 38.000 0.088 0.000 1.240 179 I HN -0.043 nan 8.210 nan 0.000 0.423 180 V N 5.949 125.991 119.914 0.213 0.000 2.680 180 V HA 0.465 4.585 4.120 -0.000 0.000 0.309 180 V C -1.305 174.941 176.094 0.252 0.000 1.052 180 V CA -0.765 61.698 62.300 0.271 0.000 0.908 180 V CB 2.349 34.356 31.823 0.306 0.000 1.001 180 V HN 0.620 nan 8.190 nan 0.000 0.431 181 Y N 2.974 123.306 120.300 0.054 0.000 2.492 181 Y HA 0.837 5.387 4.550 -0.000 0.000 0.346 181 Y C -0.392 175.442 175.900 -0.110 0.000 0.997 181 Y CA -0.425 57.607 58.100 -0.113 0.000 1.025 181 Y CB 1.942 40.189 38.460 -0.356 0.000 1.263 181 Y HN 0.833 nan 8.280 nan 0.000 0.454 182 A N 4.018 126.435 122.820 -0.672 0.000 2.572 182 A HA 0.720 5.040 4.320 -0.000 0.000 0.295 182 A C -1.923 174.935 177.584 -1.211 0.000 1.072 182 A CA -0.352 51.316 52.037 -0.615 0.000 0.691 182 A CB 1.636 20.526 19.000 -0.185 0.000 1.291 182 A HN 0.836 nan 8.150 nan 0.000 0.404 183 D N -1.078 118.766 120.400 -0.927 0.000 2.596 183 D HA 0.315 4.955 4.640 -0.000 0.000 0.262 183 D C 0.638 176.581 176.300 -0.595 0.000 1.210 183 D CA -0.511 52.887 54.000 -1.002 0.000 0.873 183 D CB 0.653 41.124 40.800 -0.548 0.000 1.408 183 D HN 0.522 nan 8.370 nan 0.000 0.441 184 R N -0.207 120.055 120.500 -0.398 0.000 2.237 184 R HA 0.003 4.343 4.340 -0.000 0.000 0.219 184 R C 0.445 176.714 176.300 -0.051 0.000 1.080 184 R CA 1.044 57.098 56.100 -0.078 0.000 0.995 184 R CB -0.295 30.031 30.300 0.043 0.000 0.875 184 R HN 0.327 nan 8.270 nan 0.000 0.462 185 E N 0.397 120.554 120.200 -0.072 0.000 2.285 185 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 185 E C 1.000 177.577 176.600 -0.038 0.000 0.997 185 E CA 1.293 57.677 56.400 -0.027 0.000 0.845 185 E CB 0.344 30.047 29.700 0.005 0.000 0.782 185 E HN 0.661 nan 8.360 nan 0.000 0.491 186 G N -0.273 108.482 108.800 -0.075 0.000 2.164 186 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.154 186 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.154 186 G C 0.221 175.066 174.900 -0.091 0.000 1.014 186 G CA -0.043 45.016 45.100 -0.069 0.000 0.683 186 G HN 0.168 nan 8.290 nan 0.000 0.500 187 T N 1.480 115.961 114.554 -0.122 0.000 2.837 187 T HA 0.650 5.000 4.350 -0.000 0.000 0.285 187 T C 0.416 175.024 174.700 -0.153 0.000 0.984 187 T CA 0.253 62.240 62.100 -0.188 0.000 1.049 187 T CB 1.394 70.068 68.868 -0.323 0.000 0.947 187 T HN 0.975 nan 8.240 nan 0.000 0.472 188 I N 1.162 121.646 120.570 -0.142 0.000 2.689 188 I HA 0.740 4.909 4.170 -0.000 0.000 0.299 188 I C -0.873 175.228 176.117 -0.027 0.000 1.059 188 I CA -0.811 60.471 61.300 -0.030 0.000 1.055 188 I CB 2.291 40.300 38.000 0.016 0.000 1.243 188 I HN 0.440 nan 8.210 nan 0.000 0.425 189 N N 3.802 122.571 118.700 0.115 0.000 2.324 189 N HA 0.319 5.058 4.740 -0.000 0.000 0.285 189 N C -2.321 173.367 175.510 0.296 0.000 1.076 189 N CA -0.354 52.799 53.050 0.173 0.000 0.864 189 N CB 2.849 41.443 38.487 0.177 0.000 1.632 189 N HN 0.806 nan 8.380 nan 0.000 0.478 190 Y N 1.775 122.187 120.300 0.187 0.000 2.393 190 Y HA 0.588 5.137 4.550 -0.000 0.000 0.341 190 Y C -1.241 174.788 175.900 0.215 0.000 0.988 190 Y CA -0.216 58.004 58.100 0.201 0.000 1.078 190 Y CB 1.468 40.034 38.460 0.176 0.000 1.203 190 Y HN 0.368 nan 8.280 nan 0.000 0.453 191 S N 6.541 121.840 115.700 -0.668 0.000 2.571 191 S HA 0.306 4.776 4.470 -0.000 0.000 0.284 191 S C -1.476 172.664 174.600 -0.768 0.000 1.128 191 S CA -0.663 57.205 58.200 -0.553 0.000 0.970 191 S CB 0.896 64.002 63.200 -0.156 0.000 1.039 191 S HN 0.660 nan 8.310 nan 0.000 0.485 192 F N 4.297 123.842 119.950 -0.675 0.000 2.515 192 F HA 0.380 4.907 4.527 -0.000 0.000 0.353 192 F C 0.320 175.986 175.800 -0.223 0.000 1.213 192 F CA -0.451 57.333 58.000 -0.360 0.000 1.194 192 F CB -0.348 38.523 39.000 -0.215 0.000 1.488 192 F HN 0.626 nan 8.300 nan 0.000 0.619 193 N N 3.186 121.699 118.700 -0.313 0.000 2.434 193 N HA 0.784 5.524 4.740 -0.000 0.000 0.266 193 N C -0.112 175.239 175.510 -0.266 0.000 1.223 193 N CA 0.587 53.512 53.050 -0.209 0.000 0.972 193 N CB 1.370 39.766 38.487 -0.151 0.000 1.207 193 N HN 0.816 nan 8.380 nan 0.000 0.525 194 G N -1.054 107.650 108.800 -0.160 0.000 2.369 194 G HA2 0.114 4.074 3.960 -0.000 0.000 0.307 194 G HA3 0.114 4.074 3.960 -0.000 0.000 0.307 194 G C -1.893 172.956 174.900 -0.085 0.000 1.327 194 G CA -0.638 44.370 45.100 -0.153 0.000 0.963 194 G HN 0.534 nan 8.290 nan 0.000 0.590 195 V N 0.972 120.836 119.914 -0.083 0.000 2.311 195 V HA 0.675 4.795 4.120 -0.000 0.000 0.275 195 V C 0.671 176.714 176.094 -0.085 0.000 1.022 195 V CA 0.131 62.395 62.300 -0.060 0.000 0.830 195 V CB 0.813 32.605 31.823 -0.052 0.000 1.012 195 V HN 1.704 nan 8.190 nan 0.000 0.452 196 A N 7.797 130.595 122.820 -0.037 0.000 2.267 196 A HA 0.819 5.139 4.320 -0.000 0.000 0.315 196 A C -2.689 174.822 177.584 -0.123 0.000 1.297 196 A CA -1.850 50.162 52.037 -0.042 0.000 0.865 196 A CB 0.781 19.857 19.000 0.126 0.000 1.165 196 A HN 0.587 nan 8.150 nan 0.000 0.513 197 P HA 0.010 nan 4.420 nan 0.000 0.264 197 P C -0.447 176.560 177.300 -0.489 0.000 1.183 197 P CA 0.347 62.986 63.100 -0.768 0.000 0.763 197 P CB 0.394 30.959 31.700 -1.891 0.000 0.807 198 K N 4.226 124.419 120.400 -0.344 0.000 2.379 198 K HA 0.220 4.539 4.320 -0.000 0.000 0.284 198 K C 0.213 176.675 176.600 -0.230 0.000 1.044 198 K CA 0.133 56.270 56.287 -0.250 0.000 0.974 198 K CB 0.457 32.797 32.500 -0.267 0.000 0.962 198 K HN 0.378 nan 8.250 nan 0.000 0.474 199 R N 0.836 121.168 120.500 -0.280 0.000 2.750 199 R HA 0.289 4.628 4.340 -0.000 0.000 0.281 199 R C 0.218 176.603 176.300 0.142 0.000 0.972 199 R CA -0.384 55.568 56.100 -0.247 0.000 0.912 199 R CB 1.617 31.356 30.300 -0.935 0.000 1.187 199 R HN 0.682 nan 8.270 nan 0.000 0.464 200 A N 1.631 124.590 122.820 0.231 0.000 2.132 200 A HA 0.051 4.371 4.320 -0.000 0.000 0.213 200 A C 0.086 177.836 177.584 0.276 0.000 1.154 200 A CA 0.864 53.039 52.037 0.231 0.000 0.753 200 A CB -0.244 18.859 19.000 0.171 0.000 0.826 200 A HN 0.766 nan 8.150 nan 0.000 0.469 201 E N -3.184 117.249 120.200 0.388 0.000 2.416 201 E HA 0.499 4.849 4.350 -0.000 0.000 0.280 201 E C -0.257 176.679 176.600 0.561 0.000 1.055 201 E CA -0.742 55.875 56.400 0.362 0.000 0.825 201 E CB 0.666 30.494 29.700 0.213 0.000 1.312 201 E HN 1.344 nan 8.360 nan 0.000 0.452 202 G N 1.688 110.691 108.800 0.339 0.000 2.788 202 G HA2 0.072 4.032 3.960 -0.000 0.000 0.686 202 G HA3 0.072 4.032 3.960 -0.000 0.000 0.686 202 G C -0.846 174.411 174.900 0.595 0.000 1.147 202 G CA -0.232 45.019 45.100 0.253 0.000 0.755 202 G HN 0.942 nan 8.290 nan 0.000 0.634 203 D N 0.504 121.164 120.400 0.434 0.000 2.506 203 D HA 0.501 5.141 4.640 -0.000 0.000 0.272 203 D C 1.913 178.571 176.300 0.597 0.000 1.214 203 D CA -0.465 53.811 54.000 0.461 0.000 1.067 203 D CB 0.551 41.513 40.800 0.271 0.000 1.117 203 D HN 0.645 nan 8.370 nan 0.000 0.578 204 I N -0.355 120.482 120.570 0.446 0.000 2.226 204 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 204 I C 2.100 178.412 176.117 0.326 0.000 1.100 204 I CA 1.728 63.274 61.300 0.409 0.000 1.374 204 I CB -0.266 37.910 38.000 0.294 0.000 1.057 204 I HN 0.490 nan 8.210 nan 0.000 0.413 205 A N 0.488 123.459 122.820 0.251 0.000 1.933 205 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 205 A C 2.200 179.862 177.584 0.130 0.000 1.175 205 A CA 1.844 53.980 52.037 0.165 0.000 0.628 205 A CB -1.204 17.878 19.000 0.138 0.000 0.814 205 A HN 0.629 nan 8.150 nan 0.000 0.444 206 F N -0.914 119.044 119.950 0.013 0.000 2.134 206 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 206 F C 1.867 177.501 175.800 -0.276 0.000 1.097 206 F CA 1.671 59.566 58.000 -0.175 0.000 1.264 206 F CB -0.430 38.408 39.000 -0.269 0.000 1.001 206 F HN 0.375 nan 8.300 nan 0.000 0.479 207 W N 0.745 122.060 121.300 0.025 0.000 2.467 207 W HA -0.041 4.619 4.660 -0.000 0.000 0.275 207 W C 2.372 178.804 176.519 -0.145 0.000 1.239 207 W CA 0.898 58.179 57.345 -0.107 0.000 1.266 207 W CB -0.478 29.015 29.460 0.055 0.000 1.112 207 W HN 0.080 nan 8.180 nan 0.000 0.576 208 Q N -0.136 119.716 119.800 0.087 0.000 2.245 208 Q HA 0.046 4.386 4.340 -0.000 0.000 0.201 208 Q C 1.696 177.649 176.000 -0.078 0.000 0.955 208 Q CA 0.757 56.573 55.803 0.022 0.000 0.870 208 Q CB -0.405 28.366 28.738 0.054 0.000 0.945 208 Q HN 0.202 nan 8.270 nan 0.000 0.461 209 G N 0.388 109.086 108.800 -0.170 0.000 2.553 209 G HA2 0.328 4.288 3.960 -0.000 0.000 0.278 209 G HA3 0.328 4.288 3.960 -0.000 0.000 0.278 209 G C -0.623 174.095 174.900 -0.303 0.000 1.349 209 G CA -0.699 44.270 45.100 -0.217 0.000 1.037 209 G HN 0.111 nan 8.290 nan 0.000 0.508 210 L N 0.724 121.780 121.223 -0.278 0.000 2.342 210 L HA 0.187 4.527 4.340 -0.000 0.000 0.285 210 L C 0.101 176.702 176.870 -0.449 0.000 1.095 210 L CA -0.495 54.172 54.840 -0.289 0.000 0.843 210 L CB 0.912 42.871 42.059 -0.168 0.000 1.201 210 L HN 0.025 nan 8.230 nan 0.000 0.445 211 V N 6.072 125.624 119.914 -0.604 0.000 2.637 211 V HA 0.132 4.252 4.120 -0.000 0.000 0.296 211 V C -1.877 174.025 176.094 -0.319 0.000 1.046 211 V CA -1.441 60.398 62.300 -0.770 0.000 1.066 211 V CB 0.808 32.079 31.823 -0.919 0.000 0.968 211 V HN 0.588 nan 8.190 nan 0.000 0.483 212 P HA 0.140 nan 4.420 nan 0.000 0.267 212 P C 0.529 177.988 177.300 0.265 0.000 1.205 212 P CA 0.219 63.330 63.100 0.019 0.000 0.765 212 P CB 0.549 32.293 31.700 0.073 0.000 0.828 213 G N 1.840 110.780 108.800 0.234 0.000 3.959 213 G HA2 0.096 4.056 3.960 -0.000 0.000 0.298 213 G HA3 0.096 4.056 3.960 -0.000 0.000 0.298 213 G C -0.044 175.127 174.900 0.451 0.000 1.211 213 G CA -0.245 44.991 45.100 0.226 0.000 1.001 213 G HN 0.509 nan 8.290 nan 0.000 0.561 214 D N -1.201 119.439 120.400 0.399 0.000 2.571 214 D HA 0.228 4.868 4.640 -0.000 0.000 0.239 214 D C 0.166 176.497 176.300 0.051 0.000 1.267 214 D CA -0.568 53.619 54.000 0.311 0.000 0.823 214 D CB 0.496 41.415 40.800 0.199 0.000 1.056 214 D HN 0.004 nan 8.370 nan 0.000 0.494 215 S N -0.638 115.067 115.700 0.010 0.000 2.563 215 S HA 0.299 4.769 4.470 -0.000 0.000 0.279 215 S C 0.615 175.099 174.600 -0.193 0.000 1.155 215 S CA -0.118 57.915 58.200 -0.278 0.000 0.928 215 S CB 1.064 64.239 63.200 -0.043 0.000 1.107 215 S HN 0.059 nan 8.310 nan 0.000 0.462 216 S N 4.021 119.470 115.700 -0.419 0.000 2.469 216 S HA -0.117 4.353 4.470 -0.000 0.000 0.238 216 S C 1.755 176.349 174.600 -0.010 0.000 0.998 216 S CA 0.783 58.949 58.200 -0.058 0.000 0.957 216 S CB -0.413 62.753 63.200 -0.058 0.000 0.764 216 S HN 0.761 nan 8.310 nan 0.000 0.514 217 R N 0.644 121.065 120.500 -0.131 0.000 2.127 217 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 217 R C 0.975 177.191 176.300 -0.139 0.000 1.134 217 R CA 1.536 57.495 56.100 -0.236 0.000 0.975 217 R CB -0.260 29.736 30.300 -0.507 0.000 0.865 217 R HN 0.634 nan 8.270 nan 0.000 0.447 218 Y N -0.655 119.847 120.300 0.336 0.000 2.458 218 Y HA 0.152 4.702 4.550 -0.000 0.000 0.256 218 Y C 0.184 176.460 175.900 0.627 0.000 1.159 218 Y CA -0.769 57.682 58.100 0.585 0.000 1.261 218 Y CB 0.571 39.392 38.460 0.602 0.000 1.119 218 Y HN -0.024 nan 8.280 nan 0.000 0.524 219 L N 3.915 125.392 121.223 0.423 0.000 2.401 219 L HA 0.094 4.434 4.340 -0.000 0.000 0.283 219 L C 0.373 177.315 176.870 0.121 0.000 1.151 219 L CA -0.734 54.196 54.840 0.150 0.000 0.942 219 L CB -0.416 41.651 42.059 0.014 0.000 1.283 219 L HN 0.159 nan 8.230 nan 0.000 0.442 220 W N 3.010 124.465 121.300 0.258 0.000 2.093 220 W HA 0.376 5.035 4.660 -0.000 0.000 0.352 220 W C 0.235 176.795 176.519 0.069 0.000 1.294 220 W CA -0.060 57.346 57.345 0.102 0.000 1.290 220 W CB -0.107 29.342 29.460 -0.017 0.000 1.149 220 W HN 0.603 nan 8.180 nan 0.000 0.606 221 T N -3.346 111.435 114.554 0.379 0.000 3.046 221 T HA 0.174 4.524 4.350 -0.000 0.000 0.270 221 T C -0.065 174.783 174.700 0.246 0.000 0.920 221 T CA -0.224 62.017 62.100 0.234 0.000 0.874 221 T CB 0.367 69.294 68.868 0.098 0.000 1.214 221 T HN 0.517 nan 8.240 nan 0.000 0.536 222 E N 1.807 122.141 120.200 0.223 0.000 2.336 222 E HA 0.587 4.936 4.350 -0.000 0.000 0.267 222 E C -0.927 175.664 176.600 -0.016 0.000 0.906 222 E CA -0.923 55.524 56.400 0.079 0.000 0.781 222 E CB 2.227 31.933 29.700 0.010 0.000 1.261 222 E HN 0.356 nan 8.360 nan 0.000 0.436 223 T N -2.034 112.484 114.554 -0.060 0.000 2.930 223 T HA 0.321 4.671 4.350 -0.000 0.000 0.290 223 T C -0.302 174.324 174.700 -0.123 0.000 1.052 223 T CA -0.838 61.199 62.100 -0.106 0.000 1.017 223 T CB 1.231 70.070 68.868 -0.049 0.000 1.137 223 T HN 0.341 nan 8.240 nan 0.000 0.511 224 H N 2.449 121.511 119.070 -0.014 0.000 2.683 224 H HA 0.331 4.887 4.556 -0.000 0.000 0.339 224 H C -1.912 173.419 175.328 0.005 0.000 1.081 224 H CA -1.000 55.058 56.048 0.016 0.000 1.432 224 H CB 1.196 30.986 29.762 0.046 0.000 1.462 224 H HN 0.544 nan 8.280 nan 0.000 0.557 225 P HA -0.069 nan 4.420 nan 0.000 0.274 225 P C 1.116 178.457 177.300 0.070 0.000 1.256 225 P CA -0.500 62.638 63.100 0.062 0.000 0.795 225 P CB 1.264 32.989 31.700 0.042 0.000 1.038 226 L N 1.509 122.743 121.223 0.019 0.000 2.129 226 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 226 L C 1.346 178.236 176.870 0.033 0.000 1.087 226 L CA 2.312 57.154 54.840 0.004 0.000 0.757 226 L CB -1.347 40.683 42.059 -0.048 0.000 0.896 226 L HN 0.357 nan 8.230 nan 0.000 0.434 227 D N -2.857 117.568 120.400 0.041 0.000 2.328 227 D HA -0.075 4.565 4.640 -0.000 0.000 0.226 227 D C 1.052 177.407 176.300 0.091 0.000 1.066 227 D CA 0.254 54.289 54.000 0.058 0.000 0.861 227 D CB -0.440 40.382 40.800 0.038 0.000 0.912 227 D HN 0.316 nan 8.370 nan 0.000 0.521 228 D N -0.000 120.467 120.400 0.112 0.000 2.349 228 D HA 0.132 4.771 4.640 -0.000 0.000 0.215 228 D C 0.512 176.897 176.300 0.141 0.000 1.016 228 D CA 0.141 54.219 54.000 0.130 0.000 0.870 228 D CB 0.616 41.545 40.800 0.215 0.000 0.917 228 D HN 0.306 nan 8.370 nan 0.000 0.524 229 L N 0.915 122.201 121.223 0.105 0.000 2.334 229 L HA 0.379 4.718 4.340 -0.000 0.000 0.275 229 L C -2.237 174.594 176.870 -0.065 0.000 1.036 229 L CA -2.214 52.629 54.840 0.005 0.000 0.807 229 L CB 1.114 43.203 42.059 0.049 0.000 1.231 229 L HN -0.370 nan 8.230 nan 0.000 0.438 230 P HA 0.094 nan 4.420 nan 0.000 0.260 230 P C -1.092 176.209 177.300 0.001 0.000 1.185 230 P CA 0.429 63.131 63.100 -0.664 0.000 0.763 230 P CB 0.341 31.444 31.700 -0.995 0.000 0.776 231 R N 1.687 122.320 120.500 0.221 0.000 2.740 231 R HA 0.751 5.091 4.340 -0.000 0.000 0.273 231 R C -1.444 175.139 176.300 0.472 0.000 0.998 231 R CA -1.099 55.188 56.100 0.311 0.000 0.900 231 R CB 2.134 32.545 30.300 0.185 0.000 1.223 231 R HN 0.111 nan 8.270 nan 0.000 0.466 232 V N 0.748 120.922 119.914 0.434 0.000 2.733 232 V HA 0.504 4.624 4.120 -0.000 0.000 0.306 232 V C -0.749 175.482 176.094 0.229 0.000 1.084 232 V CA -0.742 61.756 62.300 0.330 0.000 0.905 232 V CB 2.336 34.329 31.823 0.283 0.000 1.010 232 V HN 0.816 nan 8.190 nan 0.000 0.424 233 T N 3.574 118.219 114.554 0.151 0.000 2.879 233 T HA 0.410 4.759 4.350 -0.000 0.000 0.290 233 T C -0.098 174.611 174.700 0.014 0.000 0.993 233 T CA -0.554 61.589 62.100 0.072 0.000 0.975 233 T CB 0.954 69.889 68.868 0.112 0.000 0.981 233 T HN 0.745 nan 8.240 nan 0.000 0.439 234 N N 2.883 121.562 118.700 -0.035 0.000 2.666 234 N HA -0.114 4.626 4.740 -0.000 0.000 0.274 234 N C -2.445 173.050 175.510 -0.025 0.000 1.043 234 N CA 0.343 53.371 53.050 -0.037 0.000 0.782 234 N CB -0.557 37.901 38.487 -0.048 0.000 0.912 234 N HN 0.454 nan 8.380 nan 0.000 0.556 235 P HA 0.229 nan 4.420 nan 0.000 0.276 235 P C -1.700 175.562 177.300 -0.063 0.000 1.252 235 P CA -1.176 61.888 63.100 -0.061 0.000 0.802 235 P CB 0.429 32.055 31.700 -0.123 0.000 1.035 236 P HA -0.074 nan 4.420 nan 0.000 0.222 236 P C 1.532 178.810 177.300 -0.036 0.000 1.147 236 P CA 1.477 64.548 63.100 -0.048 0.000 0.790 236 P CB -0.434 31.230 31.700 -0.060 0.000 0.780 237 G N -0.775 107.987 108.800 -0.063 0.000 2.598 237 G HA2 0.087 4.047 3.960 -0.000 0.000 0.215 237 G HA3 0.087 4.047 3.960 -0.000 0.000 0.215 237 G C 1.231 176.203 174.900 0.120 0.000 1.131 237 G CA 0.527 45.637 45.100 0.017 0.000 0.785 237 G HN 0.431 nan 8.290 nan 0.000 0.539 238 G N -1.078 107.744 108.800 0.036 0.000 2.153 238 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.252 238 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.252 238 G C 0.142 175.156 174.900 0.189 0.000 0.994 238 G CA 0.653 45.804 45.100 0.085 0.000 0.698 238 G HN 1.584 nan 8.290 nan 0.000 0.521 239 F N -2.111 117.845 119.950 0.011 0.000 2.719 239 F HA 0.739 5.266 4.527 -0.000 0.000 0.309 239 F C -0.660 175.182 175.800 0.071 0.000 1.138 239 F CA -1.218 56.798 58.000 0.027 0.000 0.943 239 F CB 1.123 40.111 39.000 -0.020 0.000 1.304 239 F HN 0.750 nan 8.300 nan 0.000 0.445 240 V N 0.867 120.875 119.914 0.157 0.000 2.823 240 V HA 0.943 5.063 4.120 -0.000 0.000 0.312 240 V C -1.325 175.033 176.094 0.441 0.000 1.072 240 V CA -0.633 61.732 62.300 0.108 0.000 0.937 240 V CB 1.370 33.284 31.823 0.152 0.000 1.013 240 V HN 1.331 nan 8.190 nan 0.000 0.430 241 Q N 2.064 122.086 119.800 0.370 0.000 2.456 241 Q HA 0.652 4.992 4.340 -0.000 0.000 0.284 241 Q C -1.449 174.691 176.000 0.234 0.000 1.061 241 Q CA -0.574 55.517 55.803 0.480 0.000 0.799 241 Q CB 2.156 31.307 28.738 0.688 0.000 1.445 241 Q HN 0.926 nan 8.270 nan 0.000 0.411 242 N N 0.445 119.296 118.700 0.252 0.000 2.371 242 N HA 0.354 5.094 4.740 -0.000 0.000 0.280 242 N C -1.377 174.215 175.510 0.135 0.000 1.084 242 N CA -0.367 52.774 53.050 0.152 0.000 0.892 242 N CB 2.090 40.689 38.487 0.186 0.000 1.653 242 N HN 0.615 nan 8.380 nan 0.000 0.480 243 S N 2.163 117.922 115.700 0.098 0.000 2.751 243 S HA 0.262 4.732 4.470 -0.000 0.000 0.247 243 S C 0.173 174.798 174.600 0.041 0.000 1.103 243 S CA -0.395 57.842 58.200 0.062 0.000 1.090 243 S CB -0.497 62.782 63.200 0.131 0.000 0.928 243 S HN 0.839 nan 8.310 nan 0.000 0.502 244 N N 1.517 120.244 118.700 0.046 0.000 2.965 244 N HA -0.153 4.587 4.740 -0.000 0.000 0.232 244 N C -0.584 174.924 175.510 -0.002 0.000 0.913 244 N CA 1.206 54.282 53.050 0.043 0.000 0.981 244 N CB -1.047 37.475 38.487 0.059 0.000 1.077 244 N HN 0.610 nan 8.380 nan 0.000 0.589 245 D N 0.870 121.232 120.400 -0.064 0.000 2.382 245 D HA 0.210 4.850 4.640 -0.000 0.000 0.240 245 D C -2.319 173.852 176.300 -0.215 0.000 1.146 245 D CA -1.104 52.764 54.000 -0.219 0.000 0.897 245 D CB -0.098 40.429 40.800 -0.455 0.000 1.197 245 D HN -0.038 nan 8.370 nan 0.000 0.432 246 P HA 0.015 nan 4.420 nan 0.000 0.266 246 P C -1.797 175.172 177.300 -0.551 0.000 1.186 246 P CA -0.598 62.298 63.100 -0.341 0.000 0.767 246 P CB -0.141 31.471 31.700 -0.146 0.000 0.820 247 P HA -0.048 nan 4.420 nan 0.000 0.263 247 P C 0.002 177.066 177.300 -0.394 0.000 1.386 247 P CA 0.728 63.458 63.100 -0.616 0.000 0.797 247 P CB -0.457 30.823 31.700 -0.700 0.000 1.381 248 W N 0.283 121.705 121.300 0.202 0.000 3.077 248 W HA 0.098 4.758 4.660 -0.000 0.000 0.266 248 W C 0.754 177.402 176.519 0.214 0.000 1.300 248 W CA 0.187 57.693 57.345 0.269 0.000 1.586 248 W CB -0.113 29.552 29.460 0.340 0.000 1.103 248 W HN 0.023 nan 8.180 nan 0.000 0.652 249 T N -2.924 111.851 114.554 0.369 0.000 3.630 249 T HA 0.211 4.561 4.350 -0.000 0.000 0.238 249 T C -1.811 172.958 174.700 0.114 0.000 1.195 249 T CA -1.592 60.696 62.100 0.313 0.000 1.433 249 T CB 0.694 69.848 68.868 0.477 0.000 0.940 249 T HN -0.223 nan 8.240 nan 0.000 0.641 250 P HA 0.161 nan 4.420 nan 0.000 0.236 250 P C 0.466 177.653 177.300 -0.188 0.000 1.177 250 P CA 0.654 63.598 63.100 -0.261 0.000 0.773 250 P CB 0.391 31.730 31.700 -0.601 0.000 0.878 251 T N -2.080 112.369 114.554 -0.175 0.000 2.739 251 T HA 0.438 4.788 4.350 -0.000 0.000 0.303 251 T C -2.675 172.033 174.700 0.013 0.000 1.389 251 T CA -0.693 61.133 62.100 -0.457 0.000 1.001 251 T CB 1.134 69.665 68.868 -0.562 0.000 1.436 251 T HN -0.043 nan 8.240 nan 0.000 0.500 252 W N 4.574 125.730 121.300 -0.241 0.000 2.884 252 W HA 0.436 5.096 4.660 -0.000 0.000 0.336 252 W C -2.699 173.825 176.519 0.008 0.000 1.038 252 W CA -2.067 55.291 57.345 0.022 0.000 1.247 252 W CB 1.875 31.469 29.460 0.222 0.000 1.351 252 W HN 0.572 nan 8.180 nan 0.000 0.446 253 P HA 0.039 nan 4.420 nan 0.000 0.272 253 P C 0.152 177.254 177.300 -0.330 0.000 1.223 253 P CA 0.131 62.859 63.100 -0.620 0.000 0.784 253 P CB 1.211 32.625 31.700 -0.477 0.000 0.923 254 V N -0.080 119.645 119.914 -0.314 0.000 3.139 254 V HA 0.175 4.295 4.120 -0.000 0.000 0.307 254 V C 1.207 177.181 176.094 -0.201 0.000 1.095 254 V CA 0.898 63.077 62.300 -0.201 0.000 1.160 254 V CB -0.369 31.384 31.823 -0.116 0.000 1.003 254 V HN 0.791 nan 8.190 nan 0.000 0.489 255 T N -0.863 113.550 114.554 -0.235 0.000 3.044 255 T HA 0.410 4.760 4.350 -0.000 0.000 0.260 255 T C 0.023 174.766 174.700 0.070 0.000 1.019 255 T CA 0.518 62.567 62.100 -0.086 0.000 0.921 255 T CB -0.453 68.403 68.868 -0.020 0.000 1.053 255 T HN 1.289 nan 8.240 nan 0.000 0.533 256 Y N -0.539 119.850 120.300 0.148 0.000 2.788 256 Y HA 0.736 5.286 4.550 -0.000 0.000 0.335 256 Y C -0.853 175.166 175.900 0.198 0.000 1.287 256 Y CA -1.405 56.808 58.100 0.187 0.000 1.068 256 Y CB 0.658 39.326 38.460 0.346 0.000 1.340 256 Y HN 0.134 nan 8.280 nan 0.000 0.449 257 T N -3.253 111.590 114.554 0.482 0.000 2.883 257 T HA 0.473 4.823 4.350 -0.000 0.000 0.296 257 T C -2.716 172.042 174.700 0.095 0.000 1.117 257 T CA -2.420 59.830 62.100 0.251 0.000 1.006 257 T CB 2.195 71.097 68.868 0.056 0.000 1.191 257 T HN 0.352 nan 8.240 nan 0.000 0.508 258 P HA -0.127 nan 4.420 nan 0.000 0.218 258 P C 1.206 178.293 177.300 -0.355 0.000 1.146 258 P CA 1.100 63.606 63.100 -0.990 0.000 0.813 258 P CB -0.027 30.977 31.700 -1.160 0.000 0.778 259 K N -1.026 119.255 120.400 -0.197 0.000 2.486 259 K HA -0.043 4.277 4.320 -0.000 0.000 0.194 259 K C 0.573 177.090 176.600 -0.139 0.000 1.033 259 K CA 0.976 57.185 56.287 -0.129 0.000 1.004 259 K CB -0.402 32.039 32.500 -0.098 0.000 0.798 259 K HN 0.022 nan 8.250 nan 0.000 0.495 260 D N 0.189 120.482 120.400 -0.178 0.000 2.349 260 D HA 0.093 4.732 4.640 -0.000 0.000 0.224 260 D C -0.468 175.359 176.300 -0.789 0.000 1.029 260 D CA 0.525 54.248 54.000 -0.461 0.000 0.879 260 D CB 0.037 40.493 40.800 -0.573 0.000 0.906 260 D HN 0.139 nan 8.370 nan 0.000 0.528 261 F N -0.320 119.550 119.950 -0.132 0.000 2.603 261 F HA 0.394 4.921 4.527 -0.000 0.000 0.317 261 F C -2.039 173.635 175.800 -0.211 0.000 1.066 261 F CA -2.616 55.288 58.000 -0.161 0.000 0.941 261 F CB 0.878 39.804 39.000 -0.123 0.000 1.291 261 F HN -0.387 nan 8.300 nan 0.000 0.472 262 P HA 0.070 nan 4.420 nan 0.000 0.267 262 P C 0.445 177.515 177.300 -0.383 0.000 1.200 262 P CA -0.017 62.852 63.100 -0.386 0.000 0.772 262 P CB 0.703 31.890 31.700 -0.855 0.000 0.855 263 S N 0.928 116.480 115.700 -0.246 0.000 2.555 263 S HA -0.156 4.314 4.470 -0.000 0.000 0.230 263 S C 1.246 175.880 174.600 0.056 0.000 0.978 263 S CA 0.512 58.691 58.200 -0.036 0.000 0.934 263 S CB -1.103 62.137 63.200 0.066 0.000 0.766 263 S HN 0.573 nan 8.310 nan 0.000 0.533 264 Y N -0.098 120.299 120.300 0.162 0.000 2.457 264 Y HA 0.530 5.079 4.550 -0.000 0.000 0.263 264 Y C 1.449 177.404 175.900 0.092 0.000 1.164 264 Y CA -1.122 57.079 58.100 0.169 0.000 1.274 264 Y CB -0.644 37.901 38.460 0.141 0.000 1.097 264 Y HN 0.118 nan 8.280 nan 0.000 0.523 265 L N 0.782 122.013 121.223 0.014 0.000 2.056 265 L HA 0.165 4.505 4.340 -0.000 0.000 0.207 265 L C 0.998 177.916 176.870 0.081 0.000 1.078 265 L CA 1.070 55.930 54.840 0.035 0.000 0.749 265 L CB -0.308 41.623 42.059 -0.214 0.000 0.901 265 L HN 0.396 nan 8.230 nan 0.000 0.433 266 A N -1.576 121.283 122.820 0.065 0.000 2.589 266 A HA 0.645 4.965 4.320 -0.000 0.000 0.296 266 A C -2.679 175.056 177.584 0.251 0.000 1.062 266 A CA -0.986 51.096 52.037 0.075 0.000 0.686 266 A CB 0.951 19.736 19.000 -0.357 0.000 1.282 266 A HN -0.182 nan 8.150 nan 0.000 0.404 267 P HA 0.415 nan 4.420 nan 0.000 0.276 267 P C -0.602 176.956 177.300 0.430 0.000 1.261 267 P CA -0.151 63.110 63.100 0.268 0.000 0.800 267 P CB 0.503 32.307 31.700 0.175 0.000 1.066 268 Q N -0.636 119.361 119.800 0.328 0.000 2.263 268 Q HA 0.168 4.508 4.340 -0.000 0.000 0.337 268 Q C -0.154 175.975 176.000 0.214 0.000 0.906 268 Q CA -0.153 55.855 55.803 0.341 0.000 1.124 268 Q CB 0.116 28.977 28.738 0.206 0.000 1.255 268 Q HN 0.537 nan 8.270 nan 0.000 0.435 269 T N -2.237 112.391 114.554 0.123 0.000 2.874 269 T HA 0.453 4.803 4.350 -0.000 0.000 0.281 269 T C -2.451 172.027 174.700 -0.371 0.000 0.994 269 T CA -1.984 60.096 62.100 -0.035 0.000 1.015 269 T CB 0.962 69.830 68.868 -0.001 0.000 1.028 269 T HN -0.109 nan 8.240 nan 0.000 0.523 270 P HA 0.089 nan 4.420 nan 0.000 0.266 270 P C -0.258 176.552 177.300 -0.816 0.000 1.195 270 P CA -0.045 62.271 63.100 -1.307 0.000 0.768 270 P CB 0.036 31.427 31.700 -0.516 0.000 0.838 271 H N 0.067 118.424 119.070 -1.189 0.000 2.646 271 H HA 0.178 4.734 4.556 -0.000 0.000 0.325 271 H C 0.968 176.199 175.328 -0.163 0.000 1.075 271 H CA -0.697 55.125 56.048 -0.376 0.000 1.421 271 H CB 0.736 30.470 29.762 -0.047 0.000 1.461 271 H HN 0.479 nan 8.280 nan 0.000 0.525 272 S N 3.095 118.825 115.700 0.050 0.000 2.569 272 S HA -0.051 4.419 4.470 -0.000 0.000 0.274 272 S C 1.430 176.124 174.600 0.156 0.000 1.353 272 S CA -0.567 57.692 58.200 0.099 0.000 1.023 272 S CB 0.566 63.827 63.200 0.101 0.000 0.876 272 S HN 0.591 nan 8.310 nan 0.000 0.540 273 L N 1.449 122.780 121.223 0.179 0.000 2.093 273 L HA -0.068 4.271 4.340 -0.000 0.000 0.208 273 L C 3.011 180.006 176.870 0.209 0.000 1.085 273 L CA 1.708 56.666 54.840 0.196 0.000 0.755 273 L CB -0.580 41.610 42.059 0.218 0.000 0.904 273 L HN 0.836 nan 8.230 nan 0.000 0.435 274 R N 0.637 121.269 120.500 0.219 0.000 2.083 274 R HA -0.213 4.127 4.340 -0.000 0.000 0.237 274 R C 2.324 178.799 176.300 0.291 0.000 1.137 274 R CA 1.660 57.916 56.100 0.259 0.000 0.951 274 R CB -0.272 30.143 30.300 0.193 0.000 0.851 274 R HN 0.328 nan 8.270 nan 0.000 0.434 275 A N 0.803 123.753 122.820 0.217 0.000 1.902 275 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 275 A C 2.074 179.795 177.584 0.227 0.000 1.181 275 A CA 1.516 53.678 52.037 0.209 0.000 0.623 275 A CB -0.463 18.598 19.000 0.103 0.000 0.818 275 A HN 0.557 nan 8.150 nan 0.000 0.443 276 Q N -0.860 119.070 119.800 0.216 0.000 2.124 276 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 276 Q C 2.251 178.312 176.000 0.102 0.000 0.977 276 Q CA 1.365 57.267 55.803 0.166 0.000 0.850 276 Q CB -0.221 28.617 28.738 0.166 0.000 0.901 276 Q HN 0.627 nan 8.270 nan 0.000 0.429 277 Q N 0.143 120.027 119.800 0.139 0.000 2.079 277 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 277 Q C 2.253 178.272 176.000 0.032 0.000 0.974 277 Q CA 1.152 57.004 55.803 0.082 0.000 0.840 277 Q CB -0.322 28.501 28.738 0.142 0.000 0.898 277 Q HN 0.264 nan 8.270 nan 0.000 0.430 278 S N 0.082 115.893 115.700 0.186 0.000 2.365 278 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 278 S C 2.053 176.714 174.600 0.102 0.000 1.039 278 S CA 1.518 59.875 58.200 0.261 0.000 1.033 278 S CB -0.126 63.415 63.200 0.568 0.000 0.887 278 S HN 0.203 nan 8.310 nan 0.000 0.447 279 V N 1.876 121.836 119.914 0.076 0.000 2.358 279 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 279 V C 2.621 178.588 176.094 -0.212 0.000 1.047 279 V CA 2.063 64.361 62.300 -0.004 0.000 1.035 279 V CB -0.691 31.133 31.823 0.002 0.000 0.658 279 V HN 0.451 nan 8.190 nan 0.000 0.452 280 R N -0.358 120.016 120.500 -0.210 0.000 2.090 280 R HA 0.015 4.355 4.340 -0.000 0.000 0.228 280 R C 2.301 178.415 176.300 -0.310 0.000 1.110 280 R CA 1.054 57.007 56.100 -0.245 0.000 0.973 280 R CB -0.395 29.797 30.300 -0.180 0.000 0.869 280 R HN 0.385 nan 8.270 nan 0.000 0.440 281 L N 0.109 121.127 121.223 -0.343 0.000 2.042 281 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 281 L C 2.523 178.996 176.870 -0.662 0.000 1.076 281 L CA 1.097 55.668 54.840 -0.448 0.000 0.749 281 L CB -0.318 41.471 42.059 -0.450 0.000 0.893 281 L HN 0.224 nan 8.230 nan 0.000 0.432 282 M N -0.392 118.672 119.600 -0.893 0.000 2.081 282 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 282 M C 2.732 178.510 176.300 -0.870 0.000 1.075 282 M CA 2.106 56.714 55.300 -1.153 0.000 1.133 282 M CB -1.203 30.324 32.600 -1.789 0.000 1.330 282 M HN 0.348 nan 8.290 nan 0.000 0.414 283 S N 0.015 115.280 115.700 -0.726 0.000 2.399 283 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 283 S C 1.543 176.058 174.600 -0.143 0.000 1.022 283 S CA 1.156 59.209 58.200 -0.245 0.000 0.983 283 S CB -0.665 62.567 63.200 0.053 0.000 0.803 283 S HN 0.556 nan 8.310 nan 0.000 0.480 284 E N 1.383 121.460 120.200 -0.205 0.000 2.481 284 E HA 0.143 4.493 4.350 -0.000 0.000 0.195 284 E C -0.249 176.263 176.600 -0.147 0.000 1.047 284 E CA 0.061 56.376 56.400 -0.142 0.000 0.867 284 E CB 0.025 29.639 29.700 -0.145 0.000 0.858 284 E HN 0.515 nan 8.360 nan 0.000 0.513 285 N N 1.509 120.088 118.700 -0.200 0.000 2.407 285 N HA 0.175 4.915 4.740 -0.000 0.000 0.277 285 N C -1.186 174.239 175.510 -0.142 0.000 0.995 285 N CA -0.284 52.662 53.050 -0.173 0.000 0.903 285 N CB 1.812 40.170 38.487 -0.214 0.000 1.218 285 N HN -0.065 nan 8.380 nan 0.000 0.487 286 D N -0.275 120.068 120.400 -0.095 0.000 2.392 286 D HA 0.233 4.873 4.640 -0.000 0.000 0.246 286 D C -0.128 176.132 176.300 -0.067 0.000 1.013 286 D CA 0.003 53.961 54.000 -0.070 0.000 0.993 286 D CB 1.050 41.822 40.800 -0.046 0.000 1.219 286 D HN 0.510 nan 8.370 nan 0.000 0.538 287 D N -0.085 120.281 120.400 -0.056 0.000 2.800 287 D HA -0.181 4.459 4.640 -0.000 0.000 0.232 287 D C -0.749 175.515 176.300 -0.060 0.000 1.137 287 D CA 0.320 54.288 54.000 -0.052 0.000 0.718 287 D CB -1.110 39.663 40.800 -0.045 0.000 1.084 287 D HN 0.273 nan 8.370 nan 0.000 0.432 288 L N 0.633 121.813 121.223 -0.071 0.000 2.499 288 L HA 0.164 4.504 4.340 -0.000 0.000 0.273 288 L C 1.598 178.427 176.870 -0.069 0.000 1.195 288 L CA 0.707 55.506 54.840 -0.069 0.000 0.882 288 L CB 0.390 42.404 42.059 -0.075 0.000 1.133 288 L HN 0.218 nan 8.230 nan 0.000 0.483 289 T N -0.153 114.371 114.554 -0.050 0.000 2.862 289 T HA 0.238 4.588 4.350 -0.000 0.000 0.276 289 T C 0.823 175.502 174.700 -0.035 0.000 0.974 289 T CA -0.911 61.158 62.100 -0.051 0.000 0.966 289 T CB 1.432 70.275 68.868 -0.042 0.000 1.072 289 T HN 0.438 nan 8.240 nan 0.000 0.538 290 L N 0.499 121.693 121.223 -0.048 0.000 2.093 290 L HA 0.062 4.402 4.340 -0.000 0.000 0.208 290 L C 2.347 179.224 176.870 0.013 0.000 1.085 290 L CA 1.834 56.664 54.840 -0.017 0.000 0.755 290 L CB -1.255 40.782 42.059 -0.037 0.000 0.904 290 L HN 0.771 nan 8.230 nan 0.000 0.435 291 E N -0.427 119.746 120.200 -0.045 0.000 2.058 291 E HA -0.245 4.104 4.350 -0.000 0.000 0.194 291 E C 2.323 178.892 176.600 -0.052 0.000 0.997 291 E CA 1.455 57.805 56.400 -0.084 0.000 0.801 291 E CB -0.277 29.373 29.700 -0.083 0.000 0.746 291 E HN 0.312 nan 8.360 nan 0.000 0.450 292 R N -0.137 120.351 120.500 -0.019 0.000 2.092 292 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 292 R C 1.953 178.262 176.300 0.015 0.000 1.119 292 R CA 0.962 57.050 56.100 -0.021 0.000 0.970 292 R CB -0.799 29.481 30.300 -0.033 0.000 0.864 292 R HN 0.221 nan 8.270 nan 0.000 0.440 293 F N 0.559 120.445 119.950 -0.107 0.000 2.095 293 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 293 F C 1.922 177.715 175.800 -0.011 0.000 1.104 293 F CA 2.029 59.989 58.000 -0.067 0.000 1.232 293 F CB -0.257 38.706 39.000 -0.061 0.000 0.987 293 F HN 0.019 nan 8.300 nan 0.000 0.475 294 M N -0.299 119.282 119.600 -0.032 0.000 2.117 294 M HA -0.197 4.283 4.480 -0.000 0.000 0.262 294 M C 2.422 178.614 176.300 -0.181 0.000 1.065 294 M CA 1.747 56.908 55.300 -0.232 0.000 1.114 294 M CB -0.787 31.622 32.600 -0.317 0.000 1.361 294 M HN 0.290 nan 8.290 nan 0.000 0.408 295 A N 0.369 123.124 122.820 -0.108 0.000 1.930 295 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 295 A C 2.083 179.628 177.584 -0.065 0.000 1.175 295 A CA 1.253 53.247 52.037 -0.072 0.000 0.627 295 A CB -0.863 18.100 19.000 -0.063 0.000 0.815 295 A HN 0.452 nan 8.150 nan 0.000 0.443 296 L N -0.740 120.441 121.223 -0.071 0.000 2.131 296 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 296 L C 2.831 179.740 176.870 0.066 0.000 1.092 296 L CA 1.354 56.166 54.840 -0.047 0.000 0.759 296 L CB -0.396 41.580 42.059 -0.139 0.000 0.903 296 L HN 0.479 nan 8.230 nan 0.000 0.435 297 Q N 0.630 120.448 119.800 0.031 0.000 2.224 297 Q HA -0.158 4.182 4.340 -0.000 0.000 0.203 297 Q C 2.091 178.162 176.000 0.119 0.000 0.970 297 Q CA 1.274 57.075 55.803 -0.004 0.000 0.865 297 Q CB -0.007 28.602 28.738 -0.215 0.000 0.922 297 Q HN 0.562 nan 8.270 nan 0.000 0.445 298 L N 0.690 121.954 121.223 0.067 0.000 2.552 298 L HA 0.021 4.361 4.340 -0.000 0.000 0.227 298 L C 0.922 177.826 176.870 0.057 0.000 1.146 298 L CA -0.241 54.667 54.840 0.114 0.000 0.858 298 L CB -0.155 41.972 42.059 0.114 0.000 0.969 298 L HN -0.105 nan 8.230 nan 0.000 0.451 299 S N 0.576 116.283 115.700 0.013 0.000 2.642 299 S HA -0.081 4.389 4.470 -0.000 0.000 0.308 299 S C 0.402 175.027 174.600 0.042 0.000 1.255 299 S CA 0.241 58.389 58.200 -0.087 0.000 1.057 299 S CB -0.102 63.092 63.200 -0.009 0.000 0.785 299 S HN 0.481 nan 8.310 nan 0.000 0.500 300 H N -0.113 119.062 119.070 0.174 0.000 2.790 300 H HA 0.519 5.075 4.556 -0.000 0.000 0.232 300 H C -0.402 175.049 175.328 0.205 0.000 1.313 300 H CA -0.818 55.386 56.048 0.259 0.000 1.011 300 H CB -0.301 29.641 29.762 0.299 0.000 2.105 300 H HN 0.316 nan 8.280 nan 0.000 0.580 301 R N 1.538 122.142 120.500 0.173 0.000 2.491 301 R HA 0.510 4.850 4.340 -0.000 0.000 0.283 301 R C 0.133 176.418 176.300 -0.024 0.000 1.072 301 R CA 0.221 56.315 56.100 -0.010 0.000 1.048 301 R CB 0.384 30.652 30.300 -0.054 0.000 0.983 301 R HN 0.553 nan 8.270 nan 0.000 0.450 302 A N 5.049 127.616 122.820 -0.421 0.000 3.091 302 A HA 0.178 4.498 4.320 -0.000 0.000 0.264 302 A C 1.033 178.483 177.584 -0.223 0.000 1.673 302 A CA -0.524 51.241 52.037 -0.454 0.000 1.362 302 A CB -0.379 17.942 19.000 -1.132 0.000 1.137 302 A HN 0.702 nan 8.150 nan 0.000 0.617 303 V N 1.423 121.344 119.914 0.011 0.000 2.453 303 V HA -0.335 3.785 4.120 -0.000 0.000 0.252 303 V C 2.447 178.611 176.094 0.117 0.000 1.068 303 V CA 2.543 64.870 62.300 0.045 0.000 1.070 303 V CB -0.757 31.135 31.823 0.115 0.000 0.664 303 V HN 0.933 nan 8.190 nan 0.000 0.461 304 M N -0.402 119.350 119.600 0.253 0.000 2.296 304 M HA -0.093 4.387 4.480 -0.000 0.000 0.265 304 M C 2.095 178.635 176.300 0.399 0.000 1.064 304 M CA 1.637 57.204 55.300 0.446 0.000 1.109 304 M CB -0.202 32.789 32.600 0.653 0.000 1.396 304 M HN 0.380 nan 8.290 nan 0.000 0.430 305 A N 0.438 123.245 122.820 -0.022 0.000 1.877 305 A HA -0.200 4.119 4.320 -0.000 0.000 0.216 305 A C 1.721 179.214 177.584 -0.152 0.000 1.186 305 A CA 1.982 53.786 52.037 -0.388 0.000 0.620 305 A CB -0.897 17.477 19.000 -1.043 0.000 0.822 305 A HN 0.523 nan 8.150 nan 0.000 0.443 306 D N -0.580 119.737 120.400 -0.139 0.000 2.182 306 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 306 D C 1.940 178.303 176.300 0.106 0.000 0.986 306 D CA 0.959 54.935 54.000 -0.040 0.000 0.847 306 D CB -0.166 40.613 40.800 -0.036 0.000 0.942 306 D HN 0.302 nan 8.370 nan 0.000 0.467 307 R N -0.048 120.550 120.500 0.165 0.000 2.200 307 R HA 0.017 4.357 4.340 -0.000 0.000 0.208 307 R C 2.096 178.387 176.300 -0.016 0.000 1.033 307 R CA 0.914 57.127 56.100 0.188 0.000 1.000 307 R CB -0.283 30.221 30.300 0.339 0.000 0.906 307 R HN 0.342 nan 8.270 nan 0.000 0.462 308 T N -2.719 111.878 114.554 0.072 0.000 3.019 308 T HA 0.203 4.553 4.350 -0.000 0.000 0.247 308 T C 2.067 176.700 174.700 -0.111 0.000 0.992 308 T CA -0.287 61.796 62.100 -0.029 0.000 1.036 308 T CB -0.252 68.644 68.868 0.047 0.000 1.063 308 T HN -0.050 nan 8.240 nan 0.000 0.476 309 L N 1.453 122.630 121.223 -0.077 0.000 2.079 309 L HA 0.011 4.351 4.340 -0.000 0.000 0.210 309 L C -0.607 176.207 176.870 -0.093 0.000 1.081 309 L CA 1.481 56.248 54.840 -0.122 0.000 0.752 309 L CB -1.579 40.416 42.059 -0.107 0.000 0.896 309 L HN 0.267 nan 8.230 nan 0.000 0.433 310 P HA -0.126 nan 4.420 nan 0.000 0.221 310 P C 0.720 178.013 177.300 -0.011 0.000 1.145 310 P CA 1.271 64.370 63.100 -0.002 0.000 0.795 310 P CB 0.076 31.825 31.700 0.081 0.000 0.775 311 D N -1.845 118.529 120.400 -0.045 0.000 2.323 311 D HA 0.003 4.643 4.640 -0.000 0.000 0.218 311 D C 1.718 177.975 176.300 -0.071 0.000 0.973 311 D CA 0.317 54.295 54.000 -0.036 0.000 0.890 311 D CB -0.730 40.049 40.800 -0.034 0.000 1.011 311 D HN -0.010 nan 8.370 nan 0.000 0.499 312 L N 1.057 122.193 121.223 -0.147 0.000 2.017 312 L HA -0.110 4.229 4.340 -0.000 0.000 0.208 312 L C 1.872 178.638 176.870 -0.173 0.000 1.073 312 L CA 1.384 56.091 54.840 -0.222 0.000 0.745 312 L CB -0.434 41.325 42.059 -0.500 0.000 0.894 312 L HN -0.070 nan 8.230 nan 0.000 0.432 313 I N 0.272 120.753 120.570 -0.149 0.000 2.142 313 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 313 I C 0.006 176.083 176.117 -0.067 0.000 1.078 313 I CA 1.587 62.823 61.300 -0.107 0.000 1.343 313 I CB -2.855 35.096 38.000 -0.082 0.000 1.046 313 I HN 0.245 nan 8.210 nan 0.000 0.405 314 P HA -0.073 nan 4.420 nan 0.000 0.217 314 P C 1.682 178.968 177.300 -0.024 0.000 1.150 314 P CA 1.781 64.865 63.100 -0.027 0.000 0.832 314 P CB -0.004 31.688 31.700 -0.014 0.000 0.787 315 A N 0.103 122.906 122.820 -0.028 0.000 1.902 315 A HA -0.092 4.227 4.320 -0.000 0.000 0.217 315 A C 2.295 179.866 177.584 -0.022 0.000 1.181 315 A CA 2.057 54.084 52.037 -0.017 0.000 0.623 315 A CB -1.547 17.447 19.000 -0.011 0.000 0.818 315 A HN 0.206 nan 8.150 nan 0.000 0.443 316 A N -0.665 122.128 122.820 -0.045 0.000 2.016 316 A HA 0.168 4.488 4.320 -0.000 0.000 0.217 316 A C 1.999 179.564 177.584 -0.030 0.000 1.162 316 A CA 1.030 53.041 52.037 -0.044 0.000 0.662 316 A CB -0.449 18.503 19.000 -0.081 0.000 0.812 316 A HN 0.442 nan 8.150 nan 0.000 0.450 317 L N -0.603 120.602 121.223 -0.030 0.000 2.376 317 L HA -0.020 4.320 4.340 -0.000 0.000 0.219 317 L C 2.160 179.023 176.870 -0.012 0.000 1.133 317 L CA 0.498 55.325 54.840 -0.021 0.000 0.816 317 L CB -0.265 41.781 42.059 -0.021 0.000 0.933 317 L HN 0.373 nan 8.230 nan 0.000 0.449 318 I N -0.433 120.132 120.570 -0.009 0.000 2.439 318 I HA -0.177 3.992 4.170 -0.000 0.000 0.251 318 I C 0.757 176.874 176.117 0.000 0.000 1.139 318 I CA 0.408 61.706 61.300 -0.002 0.000 1.438 318 I CB 0.045 38.045 38.000 0.001 0.000 1.085 318 I HN 0.227 nan 8.210 nan 0.000 0.427 319 D N 0.947 121.347 120.400 -0.001 0.000 2.455 319 D HA -0.034 4.606 4.640 -0.000 0.000 0.241 319 D C -1.258 175.043 176.300 0.002 0.000 1.138 319 D CA -1.004 52.998 54.000 0.003 0.000 0.877 319 D CB 0.978 41.781 40.800 0.004 0.000 1.187 319 D HN 0.006 nan 8.370 nan 0.000 0.451 320 P HA -0.134 nan 4.420 nan 0.000 0.217 320 P C 0.059 177.362 177.300 0.004 0.000 1.150 320 P CA 0.627 63.730 63.100 0.004 0.000 0.832 320 P CB -0.015 31.688 31.700 0.006 0.000 0.787 321 D N 0.704 121.107 120.400 0.005 0.000 2.451 321 D HA -0.013 4.627 4.640 -0.000 0.000 0.254 321 D C -1.462 174.840 176.300 0.002 0.000 1.204 321 D CA -1.664 52.339 54.000 0.005 0.000 0.896 321 D CB 0.604 41.409 40.800 0.009 0.000 1.136 321 D HN 0.030 nan 8.370 nan 0.000 0.499 322 P HA -0.111 nan 4.420 nan 0.000 0.220 322 P C 1.077 178.375 177.300 -0.002 0.000 1.148 322 P CA 0.758 63.857 63.100 -0.001 0.000 0.803 322 P CB 0.278 31.977 31.700 -0.001 0.000 0.782 323 E N -0.417 119.783 120.200 0.000 0.000 2.106 323 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 323 E C 1.791 178.391 176.600 -0.001 0.000 0.984 323 E CA 0.847 57.247 56.400 0.001 0.000 0.806 323 E CB -0.192 29.511 29.700 0.006 0.000 0.750 323 E HN -0.021 nan 8.360 nan 0.000 0.458 324 V N 1.112 121.026 119.914 0.000 0.000 2.307 324 V HA -0.274 3.845 4.120 -0.000 0.000 0.245 324 V C 2.337 178.421 176.094 -0.016 0.000 1.045 324 V CA 1.771 64.067 62.300 -0.005 0.000 1.024 324 V CB -0.515 31.308 31.823 0.000 0.000 0.651 324 V HN 0.299 nan 8.190 nan 0.000 0.449 325 Q N -0.180 119.612 119.800 -0.013 0.000 2.112 325 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 325 Q C 2.391 178.380 176.000 -0.019 0.000 0.987 325 Q CA 1.969 57.763 55.803 -0.016 0.000 0.858 325 Q CB -0.411 28.321 28.738 -0.011 0.000 0.905 325 Q HN 0.684 nan 8.270 nan 0.000 0.420 326 A N 0.722 123.533 122.820 -0.015 0.000 1.969 326 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 326 A C 2.229 179.800 177.584 -0.021 0.000 1.169 326 A CA 1.365 53.392 52.037 -0.016 0.000 0.635 326 A CB -0.554 18.438 19.000 -0.012 0.000 0.810 326 A HN 0.401 nan 8.150 nan 0.000 0.445 327 A N 0.148 122.955 122.820 -0.023 0.000 1.855 327 A HA 0.166 4.486 4.320 -0.000 0.000 0.215 327 A C 2.533 180.091 177.584 -0.042 0.000 1.191 327 A CA 2.049 54.068 52.037 -0.030 0.000 0.613 327 A CB -1.175 17.811 19.000 -0.024 0.000 0.829 327 A HN 1.085 nan 8.150 nan 0.000 0.442 328 A N -0.228 122.562 122.820 -0.051 0.000 1.917 328 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 328 A C 2.272 179.834 177.584 -0.038 0.000 1.182 328 A CA 1.834 53.836 52.037 -0.059 0.000 0.633 328 A CB -0.505 18.459 19.000 -0.060 0.000 0.819 328 A HN 0.573 nan 8.150 nan 0.000 0.448 329 R N -1.429 119.054 120.500 -0.028 0.000 2.073 329 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 329 R C 2.181 178.474 176.300 -0.012 0.000 1.120 329 R CA 1.240 57.330 56.100 -0.018 0.000 0.967 329 R CB -0.544 29.746 30.300 -0.016 0.000 0.862 329 R HN 0.513 nan 8.270 nan 0.000 0.436 330 L N 1.361 122.573 121.223 -0.020 0.000 1.989 330 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 330 L C 1.995 178.861 176.870 -0.008 0.000 1.071 330 L CA 1.710 56.534 54.840 -0.026 0.000 0.749 330 L CB -0.461 41.569 42.059 -0.048 0.000 0.890 330 L HN 0.124 nan 8.230 nan 0.000 0.431 331 L N -0.485 120.734 121.223 -0.005 0.000 2.079 331 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 331 L C 2.617 179.550 176.870 0.106 0.000 1.081 331 L CA 1.282 56.157 54.840 0.059 0.000 0.752 331 L CB -0.890 41.187 42.059 0.029 0.000 0.896 331 L HN 0.435 nan 8.230 nan 0.000 0.433 332 A N -0.423 122.418 122.820 0.036 0.000 2.066 332 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 332 A C 2.310 179.912 177.584 0.030 0.000 1.157 332 A CA 1.287 53.333 52.037 0.016 0.000 0.670 332 A CB -0.425 18.569 19.000 -0.011 0.000 0.804 332 A HN 0.382 nan 8.150 nan 0.000 0.453 333 A N -2.037 120.814 122.820 0.053 0.000 2.251 333 A HA 0.218 4.538 4.320 -0.000 0.000 0.209 333 A C 0.548 178.197 177.584 0.108 0.000 1.187 333 A CA -0.224 51.842 52.037 0.050 0.000 0.823 333 A CB -0.362 18.657 19.000 0.031 0.000 0.846 333 A HN 0.631 nan 8.150 nan 0.000 0.486 334 W N 2.388 123.624 121.300 -0.105 0.000 2.272 334 W HA 0.373 5.033 4.660 -0.000 0.000 0.318 334 W C 0.242 176.672 176.519 -0.150 0.000 1.255 334 W CA -0.718 56.547 57.345 -0.133 0.000 1.200 334 W CB 0.781 30.142 29.460 -0.166 0.000 1.170 334 W HN 0.387 nan 8.180 nan 0.000 0.549 335 D N 3.347 123.627 120.400 -0.201 0.000 2.363 335 D HA -0.113 4.527 4.640 -0.000 0.000 0.220 335 D C 0.607 176.452 176.300 -0.759 0.000 0.994 335 D CA 0.345 54.125 54.000 -0.366 0.000 0.890 335 D CB -0.179 40.511 40.800 -0.184 0.000 0.906 335 D HN 0.642 nan 8.370 nan 0.000 0.530 336 R N -0.794 118.679 120.500 -1.712 0.000 3.774 336 R HA -0.101 4.239 4.340 -0.000 0.000 0.320 336 R C -0.803 174.704 176.300 -1.321 0.000 1.175 336 R CA 0.736 55.515 56.100 -2.201 0.000 0.849 336 R CB -1.769 27.755 30.300 -1.294 0.000 1.365 336 R HN 0.266 nan 8.270 nan 0.000 0.502 337 E N 0.100 119.803 120.200 -0.828 0.000 2.202 337 E HA 0.211 4.561 4.350 -0.000 0.000 0.272 337 E C -0.181 176.284 176.600 -0.226 0.000 0.951 337 E CA -0.703 55.512 56.400 -0.308 0.000 0.813 337 E CB 0.552 30.244 29.700 -0.014 0.000 1.151 337 E HN 0.084 nan 8.360 nan 0.000 0.398 338 F N 1.665 121.559 119.950 -0.095 0.000 2.669 338 F HA 0.036 4.563 4.527 -0.000 0.000 0.353 338 F C 1.115 176.528 175.800 -0.645 0.000 1.192 338 F CA -0.406 57.325 58.000 -0.448 0.000 1.317 338 F CB -0.098 38.696 39.000 -0.344 0.000 1.652 338 F HN 0.129 nan 8.300 nan 0.000 0.608 339 T N -3.472 110.909 114.554 -0.289 0.000 2.882 339 T HA 0.116 4.465 4.350 -0.000 0.000 0.287 339 T C 1.443 176.140 174.700 -0.005 0.000 1.014 339 T CA -0.748 61.243 62.100 -0.182 0.000 1.049 339 T CB 1.685 70.518 68.868 -0.058 0.000 1.001 339 T HN 0.231 nan 8.240 nan 0.000 0.525 340 S N 1.294 117.034 115.700 0.067 0.000 2.387 340 S HA -0.141 4.329 4.470 -0.000 0.000 0.230 340 S C 1.605 176.257 174.600 0.087 0.000 1.035 340 S CA 1.607 59.878 58.200 0.118 0.000 1.014 340 S CB -0.497 62.730 63.200 0.046 0.000 0.836 340 S HN 0.997 nan 8.310 nan 0.000 0.466 341 D N 0.590 121.018 120.400 0.047 0.000 2.325 341 D HA 0.123 4.763 4.640 -0.000 0.000 0.225 341 D C 0.313 176.623 176.300 0.018 0.000 1.096 341 D CA -0.038 53.977 54.000 0.025 0.000 0.844 341 D CB -0.313 40.497 40.800 0.017 0.000 0.925 341 D HN 0.109 nan 8.370 nan 0.000 0.513 342 S N 0.123 115.838 115.700 0.025 0.000 2.510 342 S HA 0.174 4.644 4.470 -0.000 0.000 0.279 342 S C 1.020 175.555 174.600 -0.108 0.000 1.284 342 S CA -0.527 57.648 58.200 -0.042 0.000 1.059 342 S CB 0.642 63.794 63.200 -0.081 0.000 0.901 342 S HN 0.189 nan 8.310 nan 0.000 0.491 343 R N 3.251 123.651 120.500 -0.166 0.000 2.290 343 R HA 0.188 4.528 4.340 -0.000 0.000 0.197 343 R C 1.683 177.826 176.300 -0.262 0.000 0.913 343 R CA 0.704 56.707 56.100 -0.161 0.000 1.040 343 R CB 0.052 30.293 30.300 -0.099 0.000 0.992 343 R HN 0.655 nan 8.270 nan 0.000 0.500 344 A N 0.641 123.162 122.820 -0.500 0.000 2.169 344 A HA 0.283 4.603 4.320 -0.000 0.000 0.210 344 A C 2.070 179.137 177.584 -0.861 0.000 1.168 344 A CA 0.667 52.302 52.037 -0.670 0.000 0.813 344 A CB 0.096 18.638 19.000 -0.763 0.000 0.861 344 A HN 0.247 nan 8.150 nan 0.000 0.481 345 A N 0.643 122.945 122.820 -0.863 0.000 1.858 345 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 345 A C 2.057 179.673 177.584 0.054 0.000 1.190 345 A CA 1.501 53.222 52.037 -0.527 0.000 0.617 345 A CB -0.728 18.129 19.000 -0.237 0.000 0.827 345 A HN 0.449 nan 8.150 nan 0.000 0.443 346 L N -0.918 120.350 121.223 0.075 0.000 2.013 346 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 346 L C 2.599 179.500 176.870 0.052 0.000 1.073 346 L CA 1.495 56.325 54.840 -0.018 0.000 0.753 346 L CB -0.770 41.015 42.059 -0.457 0.000 0.890 346 L HN 0.493 nan 8.230 nan 0.000 0.432 347 L N -0.399 120.818 121.223 -0.009 0.000 2.042 347 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 347 L C 2.389 179.346 176.870 0.144 0.000 1.076 347 L CA 1.746 56.620 54.840 0.055 0.000 0.749 347 L CB -0.696 41.359 42.059 -0.006 0.000 0.893 347 L HN 0.133 nan 8.230 nan 0.000 0.432 348 F N 0.637 120.582 119.950 -0.009 0.000 2.102 348 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 348 F C 2.292 178.299 175.800 0.344 0.000 1.105 348 F CA 1.954 60.050 58.000 0.160 0.000 1.239 348 F CB -0.338 38.731 39.000 0.115 0.000 0.991 348 F HN 0.238 nan 8.300 nan 0.000 0.474 349 E N -0.063 120.330 120.200 0.322 0.000 2.086 349 E HA -0.272 4.078 4.350 -0.000 0.000 0.200 349 E C 2.063 178.806 176.600 0.239 0.000 1.012 349 E CA 1.693 58.262 56.400 0.282 0.000 0.812 349 E CB -0.269 29.682 29.700 0.419 0.000 0.743 349 E HN 0.455 nan 8.360 nan 0.000 0.453 350 E N -0.257 120.075 120.200 0.220 0.000 2.150 350 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 350 E C 1.604 178.289 176.600 0.141 0.000 0.985 350 E CA 0.647 57.159 56.400 0.187 0.000 0.814 350 E CB -0.287 29.530 29.700 0.194 0.000 0.752 350 E HN 0.449 nan 8.360 nan 0.000 0.466 351 W N 1.671 122.938 121.300 -0.056 0.000 2.409 351 W HA -0.036 4.624 4.660 -0.000 0.000 0.299 351 W C 2.309 178.783 176.519 -0.075 0.000 1.203 351 W CA 1.995 59.287 57.345 -0.089 0.000 1.298 351 W CB -0.291 29.081 29.460 -0.148 0.000 1.127 351 W HN 0.021 nan 8.180 nan 0.000 0.528 352 A N 0.958 123.647 122.820 -0.218 0.000 1.972 352 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 352 A C 1.991 179.598 177.584 0.039 0.000 1.169 352 A CA 1.728 53.643 52.037 -0.204 0.000 0.635 352 A CB -0.716 18.219 19.000 -0.109 0.000 0.810 352 A HN 0.427 nan 8.150 nan 0.000 0.446 353 R N -0.705 119.855 120.500 0.101 0.000 2.120 353 R HA -0.008 4.332 4.340 -0.000 0.000 0.234 353 R C 1.816 178.009 176.300 -0.178 0.000 1.123 353 R CA 1.327 57.368 56.100 -0.098 0.000 0.975 353 R CB -0.376 29.860 30.300 -0.106 0.000 0.866 353 R HN 0.521 nan 8.270 nan 0.000 0.446 354 L N -1.152 119.946 121.223 -0.208 0.000 2.202 354 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 354 L C 2.126 178.807 176.870 -0.315 0.000 1.083 354 L CA 0.537 55.237 54.840 -0.233 0.000 0.790 354 L CB -0.295 41.651 42.059 -0.187 0.000 0.942 354 L HN 0.069 nan 8.230 nan 0.000 0.452 355 F N 0.982 120.504 119.950 -0.714 0.000 2.259 355 F HA -0.024 4.503 4.527 -0.000 0.000 0.298 355 F C 1.804 177.329 175.800 -0.458 0.000 1.088 355 F CA 1.113 58.642 58.000 -0.786 0.000 1.358 355 F CB 0.103 38.161 39.000 -1.570 0.000 1.040 355 F HN -0.044 nan 8.300 nan 0.000 0.505 356 A N -0.175 122.438 122.820 -0.345 0.000 2.610 356 A HA 0.593 4.912 4.320 -0.000 0.000 0.291 356 A C 0.786 178.277 177.584 -0.154 0.000 1.116 356 A CA 0.273 52.165 52.037 -0.242 0.000 0.963 356 A CB -0.888 18.126 19.000 0.023 0.000 1.220 356 A HN 0.873 nan 8.150 nan 0.000 0.530 357 G N -0.587 108.090 108.800 -0.205 0.000 2.814 357 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.677 357 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.677 357 G C 0.307 175.012 174.900 -0.326 0.000 1.429 357 G CA -0.068 44.905 45.100 -0.213 0.000 0.868 357 G HN 0.162 nan 8.290 nan 0.000 0.553 358 Q N 0.423 120.019 119.800 -0.339 0.000 2.226 358 Q HA -0.105 4.234 4.340 -0.000 0.000 0.204 358 Q C 2.193 177.740 176.000 -0.754 0.000 0.975 358 Q CA 1.996 57.510 55.803 -0.483 0.000 0.866 358 Q CB -0.217 28.341 28.738 -0.301 0.000 0.915 358 Q HN 0.834 nan 8.270 nan 0.000 0.440 359 N N -0.922 117.461 118.700 -0.528 0.000 2.236 359 N HA -0.029 4.710 4.740 -0.000 0.000 0.196 359 N C -0.123 175.249 175.510 -0.230 0.000 1.114 359 N CA -0.163 52.635 53.050 -0.420 0.000 0.859 359 N CB -0.400 37.988 38.487 -0.165 0.000 0.982 359 N HN 0.157 nan 8.380 nan 0.000 0.493 360 F N -1.614 118.303 119.950 -0.056 0.000 2.988 360 F HA -0.300 4.227 4.527 -0.000 0.000 0.287 360 F C 1.240 177.081 175.800 0.069 0.000 0.781 360 F CA 0.369 58.374 58.000 0.008 0.000 1.221 360 F CB -1.664 37.362 39.000 0.044 0.000 1.392 360 F HN 0.318 nan 8.300 nan 0.000 0.425 361 A N 0.103 123.011 122.820 0.148 0.000 2.229 361 A HA 0.539 4.859 4.320 -0.000 0.000 0.211 361 A C 1.648 179.294 177.584 0.103 0.000 1.193 361 A CA 0.541 52.656 52.037 0.130 0.000 0.879 361 A CB -0.379 18.666 19.000 0.074 0.000 0.911 361 A HN 0.527 nan 8.150 nan 0.000 0.492 362 G N -0.617 108.212 108.800 0.048 0.000 2.474 362 G HA2 0.311 4.271 3.960 -0.000 0.000 0.233 362 G HA3 0.311 4.271 3.960 -0.000 0.000 0.233 362 G C 0.371 175.326 174.900 0.090 0.000 1.278 362 G CA -0.089 45.017 45.100 0.010 0.000 0.861 362 G HN 0.242 nan 8.290 nan 0.000 0.567 363 Q N 1.121 120.979 119.800 0.097 0.000 2.280 363 Q HA 0.136 4.476 4.340 -0.000 0.000 0.244 363 Q C 2.535 178.652 176.000 0.195 0.000 0.847 363 Q CA 0.561 56.518 55.803 0.256 0.000 0.945 363 Q CB 0.435 29.288 28.738 0.192 0.000 1.115 363 Q HN 0.658 nan 8.270 nan 0.000 0.513 364 A N 0.930 123.748 122.820 -0.003 0.000 2.024 364 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 364 A C 2.063 179.570 177.584 -0.128 0.000 1.164 364 A CA 1.722 53.733 52.037 -0.043 0.000 0.643 364 A CB -0.729 18.225 19.000 -0.076 0.000 0.806 364 A HN 0.374 nan 8.150 nan 0.000 0.451 365 G N -1.721 106.821 108.800 -0.429 0.000 2.650 365 G HA2 0.236 4.196 3.960 -0.000 0.000 0.214 365 G HA3 0.236 4.196 3.960 -0.000 0.000 0.214 365 G C 0.319 175.076 174.900 -0.238 0.000 1.136 365 G CA -0.208 44.495 45.100 -0.661 0.000 0.789 365 G HN 0.355 nan 8.290 nan 0.000 0.536 366 F N -0.252 119.734 119.950 0.060 0.000 2.375 366 F HA 0.509 5.036 4.527 -0.000 0.000 0.333 366 F C 1.465 177.357 175.800 0.155 0.000 1.104 366 F CA -0.373 57.752 58.000 0.209 0.000 1.149 366 F CB 1.790 40.906 39.000 0.195 0.000 1.190 366 F HN 0.022 nan 8.300 nan 0.000 0.533 367 A N 1.343 124.373 122.820 0.349 0.000 1.929 367 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 367 A C 0.875 178.602 177.584 0.239 0.000 1.176 367 A CA 0.995 53.178 52.037 0.243 0.000 0.628 367 A CB -0.450 18.675 19.000 0.207 0.000 0.816 367 A HN 0.632 nan 8.150 nan 0.000 0.444 368 T N 2.457 117.182 114.554 0.285 0.000 2.772 368 T HA 0.496 4.845 4.350 -0.000 0.000 0.288 368 T C -2.844 171.977 174.700 0.202 0.000 0.994 368 T CA -1.235 60.999 62.100 0.224 0.000 0.951 368 T CB 1.961 70.976 68.868 0.246 0.000 0.933 368 T HN 0.168 nan 8.240 nan 0.000 0.447 369 P HA 0.107 nan 4.420 nan 0.000 0.274 369 P C -0.373 177.009 177.300 0.136 0.000 1.237 369 P CA -0.750 62.447 63.100 0.162 0.000 0.793 369 P CB 0.850 32.643 31.700 0.154 0.000 0.977 370 W N 2.441 123.732 121.300 -0.016 0.000 2.257 370 W HA 0.205 4.865 4.660 -0.000 0.000 0.337 370 W C -0.112 176.404 176.519 -0.006 0.000 1.321 370 W CA 1.142 58.469 57.345 -0.029 0.000 1.267 370 W CB 0.352 29.794 29.460 -0.031 0.000 1.187 370 W HN 0.302 nan 8.180 nan 0.000 0.565 371 S N 6.122 121.271 115.700 -0.918 0.000 2.571 371 S HA 0.174 4.644 4.470 -0.000 0.000 0.284 371 S C 0.179 173.962 174.600 -1.361 0.000 1.128 371 S CA -0.869 56.820 58.200 -0.852 0.000 0.970 371 S CB 1.125 64.094 63.200 -0.386 0.000 1.039 371 S HN 0.734 nan 8.310 nan 0.000 0.485 372 L N 3.804 124.374 121.223 -1.089 0.000 2.270 372 L HA -0.025 4.315 4.340 -0.000 0.000 0.217 372 L C 1.301 177.965 176.870 -0.343 0.000 1.107 372 L CA 2.165 56.613 54.840 -0.653 0.000 0.772 372 L CB -0.458 41.481 42.059 -0.199 0.000 0.902 372 L HN 0.750 nan 8.230 nan 0.000 0.439 373 D N -0.613 119.603 120.400 -0.306 0.000 2.271 373 D HA -0.004 4.636 4.640 -0.000 0.000 0.206 373 D C 0.677 176.912 176.300 -0.109 0.000 0.967 373 D CA 0.734 54.650 54.000 -0.140 0.000 0.867 373 D CB 0.195 40.929 40.800 -0.109 0.000 0.960 373 D HN 0.366 nan 8.370 nan 0.000 0.509 374 K N 1.410 121.675 120.400 -0.225 0.000 2.602 374 K HA 0.183 4.503 4.320 -0.000 0.000 0.201 374 K C -2.031 174.391 176.600 -0.297 0.000 1.070 374 K CA -1.141 55.037 56.287 -0.183 0.000 1.026 374 K CB 2.094 34.501 32.500 -0.153 0.000 1.534 374 K HN -0.053 nan 8.250 nan 0.000 0.560 375 P HA -0.061 nan 4.420 nan 0.000 0.245 375 P C 0.697 177.987 177.300 -0.018 0.000 1.206 375 P CA 0.625 63.567 63.100 -0.263 0.000 0.781 375 P CB 0.186 31.829 31.700 -0.095 0.000 0.994 376 V N -3.112 116.730 119.914 -0.119 0.000 3.085 376 V HA 0.388 4.508 4.120 -0.000 0.000 0.345 376 V C 0.931 177.003 176.094 -0.036 0.000 1.397 376 V CA 0.527 62.792 62.300 -0.059 0.000 1.165 376 V CB -0.615 31.097 31.823 -0.186 0.000 1.153 376 V HN 0.153 nan 8.190 nan 0.000 0.495 377 S N -1.132 114.546 115.700 -0.037 0.000 2.820 377 S HA 0.269 4.739 4.470 -0.000 0.000 0.265 377 S C 0.561 175.170 174.600 0.015 0.000 1.043 377 S CA 0.428 58.617 58.200 -0.018 0.000 1.245 377 S CB 0.267 63.428 63.200 -0.064 0.000 1.187 377 S HN 0.846 nan 8.310 nan 0.000 0.673 378 T N 0.484 115.042 114.554 0.006 0.000 2.930 378 T HA 0.744 5.093 4.350 -0.000 0.000 0.290 378 T C -3.418 171.361 174.700 0.132 0.000 1.052 378 T CA -2.304 59.814 62.100 0.030 0.000 1.017 378 T CB 1.842 70.650 68.868 -0.100 0.000 1.137 378 T HN -0.033 nan 8.240 nan 0.000 0.511 379 P HA 0.285 nan 4.420 nan 0.000 0.274 379 P C -1.557 175.687 177.300 -0.093 0.000 1.237 379 P CA -0.348 62.655 63.100 -0.161 0.000 0.793 379 P CB 0.483 31.815 31.700 -0.614 0.000 0.977 380 Y N 0.008 120.322 120.300 0.024 0.000 2.524 380 Y HA 0.522 5.072 4.550 -0.000 0.000 0.347 380 Y C 0.182 176.319 175.900 0.395 0.000 1.005 380 Y CA 0.569 58.788 58.100 0.198 0.000 1.025 380 Y CB 1.799 40.326 38.460 0.111 0.000 1.275 380 Y HN 0.974 nan 8.280 nan 0.000 0.460 381 G N 1.598 109.967 108.800 -0.718 0.000 2.781 381 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.683 381 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.683 381 G C -2.079 172.844 174.900 0.039 0.000 1.390 381 G CA -0.593 44.180 45.100 -0.545 0.000 0.850 381 G HN 1.012 nan 8.290 nan 0.000 0.557 382 V N 1.778 121.710 119.914 0.030 0.000 2.347 382 V HA 0.452 4.572 4.120 -0.000 0.000 0.280 382 V C 1.710 177.899 176.094 0.160 0.000 1.021 382 V CA 0.293 62.676 62.300 0.139 0.000 0.847 382 V CB 1.297 33.160 31.823 0.067 0.000 0.990 382 V HN 0.962 nan 8.190 nan 0.000 0.444 383 R N 2.611 123.229 120.500 0.195 0.000 2.081 383 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 383 R C 0.343 176.715 176.300 0.120 0.000 1.131 383 R CA 1.488 57.676 56.100 0.148 0.000 0.960 383 R CB 0.312 30.690 30.300 0.130 0.000 0.856 383 R HN 0.766 nan 8.270 nan 0.000 0.436 384 D N -0.902 119.579 120.400 0.135 0.000 2.400 384 D HA 0.201 4.841 4.640 -0.000 0.000 0.272 384 D C -2.122 174.252 176.300 0.123 0.000 1.220 384 D CA -2.257 51.809 54.000 0.110 0.000 0.897 384 D CB 1.685 42.539 40.800 0.091 0.000 1.134 384 D HN -0.070 nan 8.370 nan 0.000 0.507 385 P HA -0.139 nan 4.420 nan 0.000 0.215 385 P C 1.330 178.680 177.300 0.083 0.000 1.157 385 P CA 1.169 64.320 63.100 0.084 0.000 0.874 385 P CB 0.537 32.268 31.700 0.052 0.000 0.790 386 K N -0.534 119.907 120.400 0.069 0.000 2.044 386 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 386 K C 2.160 178.809 176.600 0.081 0.000 1.049 386 K CA 1.838 58.163 56.287 0.063 0.000 0.927 386 K CB -0.784 31.747 32.500 0.050 0.000 0.713 386 K HN 0.029 nan 8.250 nan 0.000 0.443 387 A N 1.037 123.913 122.820 0.092 0.000 1.902 387 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 387 A C 2.309 179.985 177.584 0.155 0.000 1.181 387 A CA 1.905 54.003 52.037 0.101 0.000 0.623 387 A CB -0.712 18.339 19.000 0.085 0.000 0.818 387 A HN 0.384 nan 8.150 nan 0.000 0.443 388 A N -0.659 122.293 122.820 0.220 0.000 1.933 388 A HA 0.027 4.346 4.320 -0.000 0.000 0.218 388 A C 2.207 180.017 177.584 0.377 0.000 1.175 388 A CA 1.698 53.967 52.037 0.388 0.000 0.628 388 A CB -0.810 18.447 19.000 0.429 0.000 0.814 388 A HN 0.369 nan 8.150 nan 0.000 0.444 389 V N 0.538 120.562 119.914 0.183 0.000 2.358 389 V HA -0.227 3.892 4.120 -0.000 0.000 0.246 389 V C 2.156 178.326 176.094 0.126 0.000 1.047 389 V CA 2.230 64.593 62.300 0.106 0.000 1.035 389 V CB -0.754 31.097 31.823 0.047 0.000 0.658 389 V HN 0.489 nan 8.190 nan 0.000 0.452 390 D N -0.251 120.221 120.400 0.120 0.000 2.123 390 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 390 D C 2.328 178.704 176.300 0.127 0.000 0.992 390 D CA 1.314 55.374 54.000 0.100 0.000 0.833 390 D CB -0.238 40.607 40.800 0.074 0.000 0.954 390 D HN 0.525 nan 8.370 nan 0.000 0.455 391 Q N -0.255 119.653 119.800 0.180 0.000 2.135 391 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 391 Q C 2.182 178.388 176.000 0.343 0.000 0.981 391 Q CA 0.676 56.598 55.803 0.198 0.000 0.856 391 Q CB -0.127 28.690 28.738 0.133 0.000 0.902 391 Q HN 0.189 nan 8.270 nan 0.000 0.425 392 L N 0.744 122.227 121.223 0.433 0.000 2.093 392 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 392 L C 2.277 179.242 176.870 0.158 0.000 1.085 392 L CA 1.642 56.664 54.840 0.304 0.000 0.755 392 L CB -0.358 41.716 42.059 0.025 0.000 0.904 392 L HN 0.049 nan 8.230 nan 0.000 0.435 393 R N -1.164 119.407 120.500 0.119 0.000 2.080 393 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 393 R C 1.991 178.335 176.300 0.074 0.000 1.137 393 R CA 2.203 58.348 56.100 0.075 0.000 0.943 393 R CB -0.446 29.890 30.300 0.060 0.000 0.846 393 R HN 0.429 nan 8.270 nan 0.000 0.431 394 T N 0.432 115.035 114.554 0.081 0.000 2.788 394 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 394 T C 1.820 176.564 174.700 0.073 0.000 1.044 394 T CA 1.201 63.338 62.100 0.061 0.000 1.139 394 T CB -0.246 68.650 68.868 0.047 0.000 0.867 394 T HN 0.425 nan 8.240 nan 0.000 0.454 395 A N 1.067 123.956 122.820 0.115 0.000 1.930 395 A HA 0.022 4.341 4.320 -0.000 0.000 0.217 395 A C 2.255 179.906 177.584 0.112 0.000 1.175 395 A CA 1.002 53.119 52.037 0.133 0.000 0.627 395 A CB -0.761 18.375 19.000 0.225 0.000 0.815 395 A HN 0.500 nan 8.150 nan 0.000 0.443 396 I N -0.102 120.523 120.570 0.093 0.000 2.163 396 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 396 I C 2.992 179.143 176.117 0.058 0.000 1.085 396 I CA 1.150 62.490 61.300 0.067 0.000 1.347 396 I CB -0.393 37.635 38.000 0.047 0.000 1.044 396 I HN 0.354 nan 8.210 nan 0.000 0.408 397 A N 1.231 124.081 122.820 0.049 0.000 1.859 397 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 397 A C 2.086 179.692 177.584 0.036 0.000 1.198 397 A CA 2.477 54.535 52.037 0.035 0.000 0.629 397 A CB -0.964 18.052 19.000 0.026 0.000 0.830 397 A HN 0.455 nan 8.150 nan 0.000 0.446 398 N N -0.232 118.494 118.700 0.043 0.000 2.104 398 N HA -0.119 4.621 4.740 -0.000 0.000 0.190 398 N C 1.732 177.278 175.510 0.059 0.000 1.024 398 N CA 1.990 55.061 53.050 0.035 0.000 0.853 398 N CB -1.124 37.387 38.487 0.040 0.000 1.008 398 N HN 0.568 nan 8.380 nan 0.000 0.424 399 T N 1.339 115.965 114.554 0.119 0.000 2.746 399 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 399 T C 1.877 176.680 174.700 0.171 0.000 1.039 399 T CA 1.154 63.382 62.100 0.214 0.000 1.142 399 T CB -0.036 68.939 68.868 0.178 0.000 0.866 399 T HN 0.308 nan 8.240 nan 0.000 0.444 400 K N 0.589 121.042 120.400 0.088 0.000 2.025 400 K HA -0.010 4.310 4.320 -0.000 0.000 0.207 400 K C 2.612 179.226 176.600 0.022 0.000 1.049 400 K CA 0.896 57.216 56.287 0.056 0.000 0.933 400 K CB -0.141 32.380 32.500 0.035 0.000 0.714 400 K HN 0.148 nan 8.250 nan 0.000 0.438 401 R N 1.658 122.156 120.500 -0.003 0.000 2.080 401 R HA -0.164 4.176 4.340 -0.000 0.000 0.236 401 R C 2.004 178.244 176.300 -0.099 0.000 1.137 401 R CA 1.792 57.869 56.100 -0.039 0.000 0.943 401 R CB 0.017 30.295 30.300 -0.038 0.000 0.846 401 R HN 0.069 nan 8.270 nan 0.000 0.431 402 K N -1.014 119.281 120.400 -0.176 0.000 2.026 402 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 402 K C 1.655 177.957 176.600 -0.496 0.000 1.048 402 K CA 1.806 57.827 56.287 -0.442 0.000 0.929 402 K CB -0.013 32.016 32.500 -0.785 0.000 0.713 402 K HN 0.344 nan 8.250 nan 0.000 0.439 403 Y N -1.859 118.427 120.300 -0.023 0.000 2.430 403 Y HA 0.212 4.762 4.550 -0.000 0.000 0.248 403 Y C 1.372 177.251 175.900 -0.035 0.000 1.108 403 Y CA 0.095 58.172 58.100 -0.039 0.000 1.264 403 Y CB 1.521 39.951 38.460 -0.049 0.000 1.172 403 Y HN 0.254 nan 8.280 nan 0.000 0.520 404 G N 0.369 109.222 108.800 0.088 0.000 2.194 404 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.236 404 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.236 404 G C 0.110 175.036 174.900 0.044 0.000 0.987 404 G CA -0.069 45.059 45.100 0.046 0.000 0.635 404 G HN 0.793 nan 8.290 nan 0.000 0.520 405 A N -1.059 121.800 122.820 0.064 0.000 2.586 405 A HA 0.724 5.044 4.320 -0.000 0.000 0.291 405 A C 0.716 178.325 177.584 0.043 0.000 1.062 405 A CA -0.023 52.036 52.037 0.037 0.000 0.666 405 A CB 0.005 19.014 19.000 0.015 0.000 1.281 405 A HN 1.392 nan 8.150 nan 0.000 0.421 406 I N -1.921 118.661 120.570 0.020 0.000 3.428 406 I HA 0.194 4.364 4.170 -0.000 0.000 0.286 406 I C 0.567 176.667 176.117 -0.030 0.000 1.287 406 I CA 1.253 62.558 61.300 0.010 0.000 1.396 406 I CB 0.012 38.015 38.000 0.005 0.000 1.062 406 I HN 0.449 nan 8.210 nan 0.000 0.471 407 D N 1.139 121.517 120.400 -0.036 0.000 2.740 407 D HA 0.088 4.728 4.640 -0.000 0.000 0.301 407 D C 0.347 176.608 176.300 -0.066 0.000 1.408 407 D CA -0.443 53.520 54.000 -0.063 0.000 0.808 407 D CB -0.208 40.561 40.800 -0.052 0.000 1.128 407 D HN 0.303 nan 8.370 nan 0.000 0.465 408 R N 1.353 121.811 120.500 -0.071 0.000 2.537 408 R HA 0.274 4.614 4.340 -0.000 0.000 0.280 408 R C -2.279 173.956 176.300 -0.108 0.000 1.058 408 R CA -1.014 55.038 56.100 -0.080 0.000 1.057 408 R CB 0.382 30.636 30.300 -0.076 0.000 0.973 408 R HN -0.086 nan 8.270 nan 0.000 0.438 409 P HA -0.067 nan 4.420 nan 0.000 0.264 409 P C -0.012 177.235 177.300 -0.089 0.000 1.193 409 P CA 0.084 63.147 63.100 -0.062 0.000 0.763 409 P CB 0.274 31.947 31.700 -0.046 0.000 0.810 410 F N 3.919 123.740 119.950 -0.216 0.000 2.063 410 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 410 F C 2.150 177.758 175.800 -0.320 0.000 1.105 410 F CA 2.781 60.617 58.000 -0.273 0.000 1.215 410 F CB -0.898 37.998 39.000 -0.173 0.000 0.972 410 F HN 0.418 nan 8.300 nan 0.000 0.483 411 G N -1.876 106.859 108.800 -0.107 0.000 3.026 411 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.208 411 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.208 411 G C 0.919 175.701 174.900 -0.196 0.000 1.169 411 G CA 0.684 45.665 45.100 -0.198 0.000 0.788 411 G HN 0.493 nan 8.290 nan 0.000 0.533 412 D N -0.038 120.247 120.400 -0.191 0.000 2.259 412 D HA 0.191 4.831 4.640 -0.000 0.000 0.216 412 D C 2.560 178.748 176.300 -0.185 0.000 0.961 412 D CA 0.907 54.819 54.000 -0.148 0.000 0.878 412 D CB 0.057 40.798 40.800 -0.098 0.000 1.009 412 D HN 0.104 nan 8.370 nan 0.000 0.490 413 A N -0.220 122.438 122.820 -0.270 0.000 1.897 413 A HA 0.106 4.426 4.320 -0.000 0.000 0.215 413 A C 1.314 178.649 177.584 -0.415 0.000 1.181 413 A CA 0.554 52.429 52.037 -0.270 0.000 0.620 413 A CB -0.175 18.631 19.000 -0.322 0.000 0.821 413 A HN 0.201 nan 8.150 nan 0.000 0.443 414 S N 1.781 117.039 115.700 -0.736 0.000 2.411 414 S HA 0.470 4.940 4.470 -0.000 0.000 0.304 414 S C -0.231 174.008 174.600 -0.602 0.000 1.098 414 S CA -0.502 57.037 58.200 -1.101 0.000 1.068 414 S CB 0.163 62.032 63.200 -2.217 0.000 1.032 414 S HN 0.364 nan 8.310 nan 0.000 0.511 415 R N 2.242 122.585 120.500 -0.263 0.000 2.740 415 R HA 0.507 4.847 4.340 -0.000 0.000 0.282 415 R C -0.635 175.734 176.300 0.115 0.000 0.969 415 R CA -0.620 55.446 56.100 -0.058 0.000 0.918 415 R CB 1.207 31.483 30.300 -0.041 0.000 1.175 415 R HN 0.525 nan 8.270 nan 0.000 0.464 416 M N 3.312 122.975 119.600 0.104 0.000 2.066 416 M HA 0.481 4.961 4.480 -0.000 0.000 0.340 416 M C -0.461 175.915 176.300 0.127 0.000 1.053 416 M CA -0.222 55.174 55.300 0.161 0.000 0.983 416 M CB 1.018 33.713 32.600 0.158 0.000 1.520 416 M HN 0.330 nan 8.290 nan 0.000 0.428 417 I N 5.431 126.092 120.570 0.152 0.000 2.439 417 I HA 0.460 4.630 4.170 -0.000 0.000 0.283 417 I C -1.059 175.138 176.117 0.134 0.000 1.023 417 I CA -0.344 61.024 61.300 0.114 0.000 1.100 417 I CB 1.290 39.348 38.000 0.097 0.000 1.238 417 I HN 0.594 nan 8.210 nan 0.000 0.445 418 L N 6.612 127.885 121.223 0.082 0.000 2.381 418 L HA 0.569 4.909 4.340 -0.000 0.000 0.274 418 L C 0.236 177.172 176.870 0.110 0.000 0.988 418 L CA -0.665 54.217 54.840 0.070 0.000 0.824 418 L CB 1.540 43.482 42.059 -0.196 0.000 1.263 418 L HN 0.639 nan 8.230 nan 0.000 0.410 419 N N 2.276 121.101 118.700 0.208 0.000 1.156 419 N HA -0.312 4.428 4.740 -0.000 0.000 0.125 419 N C 0.450 176.017 175.510 0.094 0.000 0.726 419 N CA 2.162 55.305 53.050 0.156 0.000 0.887 419 N CB -0.572 38.008 38.487 0.156 0.000 1.163 419 N HN 1.019 nan 8.380 nan 0.000 0.564 420 D N 0.551 120.993 120.400 0.069 0.000 2.342 420 D HA 0.256 4.896 4.640 -0.000 0.000 0.221 420 D C -0.111 176.211 176.300 0.037 0.000 1.101 420 D CA -0.098 53.930 54.000 0.047 0.000 0.837 420 D CB -0.093 40.730 40.800 0.037 0.000 0.938 420 D HN 0.258 nan 8.370 nan 0.000 0.508 421 V N 1.371 121.308 119.914 0.039 0.000 2.406 421 V HA 0.297 4.417 4.120 -0.000 0.000 0.272 421 V C -0.079 176.033 176.094 0.030 0.000 1.043 421 V CA -0.703 61.612 62.300 0.025 0.000 0.915 421 V CB 0.960 32.791 31.823 0.013 0.000 0.988 421 V HN 0.242 nan 8.190 nan 0.000 0.466 422 N N 4.405 123.118 118.700 0.022 0.000 2.504 422 N HA 0.526 5.266 4.740 -0.000 0.000 0.280 422 N C -1.103 174.413 175.510 0.009 0.000 1.052 422 N CA -0.196 52.867 53.050 0.021 0.000 0.887 422 N CB 2.094 40.592 38.487 0.017 0.000 1.323 422 N HN 0.547 nan 8.380 nan 0.000 0.509 423 V N 1.488 121.407 119.914 0.009 0.000 2.962 423 V HA 0.794 4.914 4.120 -0.000 0.000 0.313 423 V C -2.617 173.467 176.094 -0.016 0.000 1.099 423 V CA -2.258 60.041 62.300 -0.003 0.000 0.971 423 V CB 2.018 33.840 31.823 -0.001 0.000 1.028 423 V HN 0.399 nan 8.190 nan 0.000 0.430 424 P HA 0.254 nan 4.420 nan 0.000 0.271 424 P C 0.283 177.552 177.300 -0.051 0.000 1.220 424 P CA 0.673 63.742 63.100 -0.051 0.000 0.768 424 P CB 0.894 32.573 31.700 -0.034 0.000 0.848 425 G N 1.795 110.534 108.800 -0.102 0.000 2.507 425 G HA2 0.577 4.536 3.960 -0.000 0.000 0.271 425 G HA3 0.577 4.536 3.960 -0.000 0.000 0.271 425 G C -0.831 174.092 174.900 0.039 0.000 1.189 425 G CA -0.246 44.829 45.100 -0.042 0.000 0.859 425 G HN 0.726 nan 8.290 nan 0.000 0.542 426 A N -0.560 122.351 122.820 0.152 0.000 2.602 426 A HA 1.029 5.349 4.320 -0.000 0.000 0.290 426 A C 0.285 178.101 177.584 0.386 0.000 1.114 426 A CA 0.408 52.605 52.037 0.267 0.000 0.683 426 A CB 0.782 19.838 19.000 0.093 0.000 1.281 426 A HN 2.821 nan 8.150 nan 0.000 0.416 427 A N -1.598 121.429 122.820 0.346 0.000 6.643 427 A HA 0.451 4.771 4.320 -0.000 0.000 0.230 427 A C 1.252 179.150 177.584 0.524 0.000 2.273 427 A CA 1.444 53.766 52.037 0.476 0.000 0.690 427 A CB -1.906 17.449 19.000 0.593 0.000 0.908 427 A HN 3.189 nan 8.150 nan 0.000 0.366 428 G N -2.978 105.954 108.800 0.219 0.000 2.512 428 G HA2 0.593 4.553 3.960 -0.000 0.000 0.186 428 G HA3 0.593 4.553 3.960 -0.000 0.000 0.186 428 G C -0.834 173.904 174.900 -0.270 0.000 1.189 428 G CA -0.010 45.058 45.100 -0.054 0.000 0.994 428 G HN 1.503 nan 8.290 nan 0.000 0.506 429 Y N 1.796 122.012 120.300 -0.139 0.000 2.442 429 Y HA 0.368 4.918 4.550 -0.000 0.000 0.330 429 Y C 1.841 177.746 175.900 0.008 0.000 1.129 429 Y CA 0.728 58.810 58.100 -0.031 0.000 1.365 429 Y CB 1.498 39.972 38.460 0.023 0.000 1.233 429 Y HN 0.616 nan 8.280 nan 0.000 0.529 430 G N 2.419 111.322 108.800 0.171 0.000 2.469 430 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.219 430 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.219 430 G C 1.384 176.412 174.900 0.214 0.000 1.150 430 G CA 0.982 46.168 45.100 0.144 0.000 0.763 430 G HN 0.588 nan 8.290 nan 0.000 0.561 431 N N 0.185 119.042 118.700 0.263 0.000 2.573 431 N HA 0.037 4.777 4.740 -0.000 0.000 0.187 431 N C 1.906 177.571 175.510 0.259 0.000 1.107 431 N CA 0.335 53.549 53.050 0.273 0.000 0.918 431 N CB -0.055 38.641 38.487 0.348 0.000 0.966 431 N HN 0.342 nan 8.380 nan 0.000 0.448 432 L N -1.694 119.660 121.223 0.218 0.000 2.529 432 L HA 0.234 4.574 4.340 -0.000 0.000 0.223 432 L C 1.260 178.353 176.870 0.372 0.000 1.113 432 L CA 0.383 55.405 54.840 0.302 0.000 0.861 432 L CB 0.147 42.424 42.059 0.363 0.000 1.012 432 L HN 0.222 nan 8.230 nan 0.000 0.461 433 G N -0.794 108.199 108.800 0.322 0.000 2.205 433 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.180 433 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.180 433 G C 0.305 175.388 174.900 0.306 0.000 1.004 433 G CA 0.058 45.327 45.100 0.282 0.000 0.670 433 G HN 0.157 nan 8.290 nan 0.000 0.496 434 S N 0.011 115.922 115.700 0.352 0.000 2.488 434 S HA 0.524 4.994 4.470 -0.000 0.000 0.278 434 S C 1.116 175.865 174.600 0.247 0.000 1.259 434 S CA 0.069 58.476 58.200 0.346 0.000 1.061 434 S CB 0.365 63.757 63.200 0.320 0.000 0.910 434 S HN 0.556 nan 8.310 nan 0.000 0.491 435 F N 5.576 125.591 119.950 0.107 0.000 2.074 435 F HA 0.249 4.776 4.527 -0.000 0.000 0.290 435 F C 1.449 177.240 175.800 -0.015 0.000 1.118 435 F CA 0.854 58.879 58.000 0.041 0.000 1.199 435 F CB -0.207 38.808 39.000 0.024 0.000 1.012 435 F HN 0.555 nan 8.300 nan 0.000 0.472 436 R N 1.369 121.892 120.500 0.038 0.000 2.502 436 R HA 0.239 4.579 4.340 -0.000 0.000 0.292 436 R C -1.479 174.677 176.300 -0.239 0.000 0.998 436 R CA 0.013 56.044 56.100 -0.115 0.000 1.056 436 R CB 0.201 30.563 30.300 0.104 0.000 0.939 436 R HN 0.092 nan 8.270 nan 0.000 0.411 437 V N 6.475 126.010 119.914 -0.632 0.000 2.495 437 V HA 0.464 4.584 4.120 -0.000 0.000 0.298 437 V C -0.878 174.559 176.094 -1.094 0.000 1.031 437 V CA -0.528 61.328 62.300 -0.741 0.000 0.871 437 V CB 1.585 32.838 31.823 -0.950 0.000 0.988 437 V HN 0.615 nan 8.190 nan 0.000 0.432 438 F N 1.444 121.011 119.950 -0.638 0.000 2.659 438 F HA 0.352 4.879 4.527 -0.000 0.000 0.342 438 F C 0.512 175.558 175.800 -1.256 0.000 1.168 438 F CA -0.509 56.870 58.000 -1.035 0.000 1.003 438 F CB 2.018 40.186 39.000 -1.387 0.000 1.267 438 F HN 0.315 nan 8.300 nan 0.000 0.463 439 T N 2.526 116.654 114.554 -0.709 0.000 2.992 439 T HA 0.079 4.429 4.350 -0.000 0.000 0.299 439 T C -0.313 174.138 174.700 -0.414 0.000 1.027 439 T CA -0.358 61.484 62.100 -0.429 0.000 1.001 439 T CB -0.410 68.487 68.868 0.048 0.000 1.005 439 T HN 0.322 nan 8.240 nan 0.000 0.599 440 W N 3.071 124.164 121.300 -0.345 0.000 2.210 440 W HA 0.277 4.936 4.660 -0.000 0.000 0.330 440 W C 1.280 177.836 176.519 0.062 0.000 1.334 440 W CA -0.825 56.428 57.345 -0.154 0.000 1.227 440 W CB 0.242 29.588 29.460 -0.190 0.000 1.178 440 W HN 0.572 nan 8.180 nan 0.000 0.560 441 S N 1.665 117.516 115.700 0.251 0.000 2.587 441 S HA 0.039 4.509 4.470 -0.000 0.000 0.260 441 S C 0.025 174.742 174.600 0.196 0.000 1.353 441 S CA -0.903 57.403 58.200 0.177 0.000 0.995 441 S CB 0.568 63.834 63.200 0.111 0.000 0.912 441 S HN 0.415 nan 8.310 nan 0.000 0.568 442 D N 2.917 123.388 120.400 0.120 0.000 2.443 442 D HA 0.256 4.896 4.640 -0.000 0.000 0.239 442 D C -1.861 174.463 176.300 0.039 0.000 1.136 442 D CA -0.806 53.235 54.000 0.068 0.000 0.879 442 D CB 0.131 40.942 40.800 0.019 0.000 1.195 442 D HN 0.444 nan 8.370 nan 0.000 0.443 443 P HA 0.063 nan 4.420 nan 0.000 0.274 443 P C -0.336 176.929 177.300 -0.057 0.000 1.231 443 P CA -0.477 62.593 63.100 -0.050 0.000 0.790 443 P CB 0.785 32.355 31.700 -0.216 0.000 0.951 444 D N 0.445 120.825 120.400 -0.032 0.000 2.447 444 D HA -0.045 4.595 4.640 -0.000 0.000 0.265 444 D C 1.253 177.524 176.300 -0.049 0.000 1.250 444 D CA -0.337 53.646 54.000 -0.030 0.000 1.046 444 D CB 0.084 40.879 40.800 -0.007 0.000 1.095 444 D HN 0.408 nan 8.370 nan 0.000 0.555 445 E N -0.088 120.089 120.200 -0.037 0.000 2.401 445 E HA -0.228 4.122 4.350 -0.000 0.000 0.199 445 E C 0.045 176.622 176.600 -0.039 0.000 1.023 445 E CA 0.788 57.163 56.400 -0.042 0.000 0.859 445 E CB -0.549 29.134 29.700 -0.029 0.000 0.780 445 E HN 0.435 nan 8.360 nan 0.000 0.523 446 N N 0.623 119.306 118.700 -0.029 0.000 2.268 446 N HA 0.090 4.830 4.740 -0.000 0.000 0.204 446 N C 0.802 176.304 175.510 -0.013 0.000 1.124 446 N CA 0.676 53.715 53.050 -0.019 0.000 0.838 446 N CB 0.895 39.376 38.487 -0.011 0.000 0.994 446 N HN 0.416 nan 8.380 nan 0.000 0.489 447 G N 0.601 109.378 108.800 -0.038 0.000 2.166 447 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 447 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 447 G C 0.132 175.070 174.900 0.064 0.000 0.986 447 G CA 0.294 45.383 45.100 -0.017 0.000 0.683 447 G HN 0.215 nan 8.290 nan 0.000 0.527 448 V N 1.942 121.862 119.914 0.011 0.000 2.530 448 V HA 0.616 4.736 4.120 -0.000 0.000 0.282 448 V C 0.886 176.985 176.094 0.007 0.000 1.048 448 V CA 0.216 62.513 62.300 -0.006 0.000 0.997 448 V CB 1.134 32.949 31.823 -0.014 0.000 0.987 448 V HN 0.712 nan 8.190 nan 0.000 0.477 449 R N 2.533 123.026 120.500 -0.012 0.000 2.888 449 R HA 0.893 5.233 4.340 -0.000 0.000 0.266 449 R C -0.824 175.542 176.300 0.110 0.000 1.020 449 R CA -0.676 55.456 56.100 0.054 0.000 0.963 449 R CB 2.220 32.573 30.300 0.090 0.000 1.197 449 R HN 0.638 nan 8.270 nan 0.000 0.481 450 T N -1.975 112.703 114.554 0.207 0.000 2.896 450 T HA 0.522 4.872 4.350 -0.000 0.000 0.297 450 T C -2.951 171.799 174.700 0.083 0.000 1.108 450 T CA -2.457 59.778 62.100 0.226 0.000 1.004 450 T CB 2.091 71.035 68.868 0.126 0.000 1.159 450 T HN 0.372 nan 8.240 nan 0.000 0.499 451 P HA 0.207 nan 4.420 nan 0.000 0.271 451 P C 1.142 178.041 177.300 -0.668 0.000 1.220 451 P CA -0.536 62.063 63.100 -0.835 0.000 0.768 451 P CB 0.821 31.571 31.700 -1.583 0.000 0.848 452 V N 0.912 120.582 119.914 -0.407 0.000 3.354 452 V HA 0.181 4.301 4.120 -0.000 0.000 0.258 452 V C 0.429 176.452 176.094 -0.119 0.000 1.159 452 V CA 1.035 63.237 62.300 -0.163 0.000 1.125 452 V CB -0.799 31.021 31.823 -0.006 0.000 0.774 452 V HN 0.652 nan 8.190 nan 0.000 0.464 453 H N -1.265 117.509 119.070 -0.493 0.000 3.081 453 H HA 0.551 5.107 4.556 -0.000 0.000 0.322 453 H C -0.383 174.699 175.328 -0.409 0.000 1.266 453 H CA 0.339 56.245 56.048 -0.238 0.000 1.279 453 H CB 1.529 31.244 29.762 -0.079 0.000 1.954 453 H HN 0.581 nan 8.280 nan 0.000 0.530 454 G N 2.560 110.923 108.800 -0.729 0.000 2.334 454 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.249 454 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.249 454 G C -1.223 173.480 174.900 -0.329 0.000 1.327 454 G CA -0.644 43.999 45.100 -0.761 0.000 0.979 454 G HN 0.512 nan 8.290 nan 0.000 0.471 455 E N 1.268 121.142 120.200 -0.544 0.000 2.820 455 E HA 0.121 4.470 4.350 -0.000 0.000 0.251 455 E C 1.264 177.805 176.600 -0.098 0.000 0.944 455 E CA 1.295 57.526 56.400 -0.281 0.000 0.955 455 E CB 0.692 30.113 29.700 -0.464 0.000 0.904 455 E HN 0.834 nan 8.360 nan 0.000 0.513 456 T N -0.123 114.321 114.554 -0.183 0.000 3.409 456 T HA 0.058 4.408 4.350 -0.000 0.000 0.188 456 T C 0.430 174.949 174.700 -0.301 0.000 0.929 456 T CA -0.616 61.254 62.100 -0.383 0.000 1.184 456 T CB 0.017 68.810 68.868 -0.126 0.000 1.570 456 T HN 0.586 nan 8.240 nan 0.000 0.367 457 W N 3.238 124.262 121.300 -0.460 0.000 2.322 457 W HA 0.574 5.234 4.660 -0.000 0.000 0.307 457 W C -1.870 174.440 176.519 -0.350 0.000 1.220 457 W CA -0.754 56.341 57.345 -0.418 0.000 1.210 457 W CB 1.001 30.108 29.460 -0.588 0.000 1.223 457 W HN 0.238 nan 8.180 nan 0.000 0.511 458 V N 6.307 125.762 119.914 -0.765 0.000 2.443 458 V HA 0.665 4.785 4.120 -0.000 0.000 0.293 458 V C -0.073 175.469 176.094 -0.919 0.000 1.021 458 V CA -0.754 61.154 62.300 -0.653 0.000 0.848 458 V CB 0.693 32.413 31.823 -0.171 0.000 0.998 458 V HN 0.647 nan 8.190 nan 0.000 0.424 459 A N 5.609 127.897 122.820 -0.887 0.000 2.449 459 A HA 1.008 5.328 4.320 -0.000 0.000 0.302 459 A C -1.010 176.367 177.584 -0.346 0.000 1.048 459 A CA -0.655 51.005 52.037 -0.627 0.000 0.708 459 A CB 1.945 20.600 19.000 -0.576 0.000 1.274 459 A HN 0.764 nan 8.150 nan 0.000 0.410 460 M N 1.740 121.173 119.600 -0.279 0.000 2.259 460 M HA 0.570 5.050 4.480 -0.000 0.000 0.304 460 M C -1.436 174.727 176.300 -0.229 0.000 1.019 460 M CA 0.068 55.298 55.300 -0.117 0.000 0.922 460 M CB 1.907 34.484 32.600 -0.037 0.000 1.600 460 M HN 0.546 nan 8.290 nan 0.000 0.433 461 I N 1.684 122.059 120.570 -0.325 0.000 2.498 461 I HA 0.401 4.571 4.170 -0.000 0.000 0.290 461 I C -0.509 175.251 176.117 -0.595 0.000 1.032 461 I CA -0.429 60.480 61.300 -0.653 0.000 1.073 461 I CB 2.065 39.388 38.000 -1.128 0.000 1.251 461 I HN 0.594 nan 8.210 nan 0.000 0.426 462 E N 5.344 125.219 120.200 -0.541 0.000 2.145 462 E HA 0.368 4.717 4.350 -0.000 0.000 0.270 462 E C -1.029 175.297 176.600 -0.457 0.000 0.906 462 E CA -0.594 55.561 56.400 -0.409 0.000 0.761 462 E CB 0.816 30.375 29.700 -0.234 0.000 1.116 462 E HN 0.479 nan 8.360 nan 0.000 0.408 463 F N 3.636 123.503 119.950 -0.138 0.000 2.705 463 F HA 0.067 4.594 4.527 -0.000 0.000 0.355 463 F C 1.043 176.802 175.800 -0.068 0.000 1.172 463 F CA -0.357 57.588 58.000 -0.092 0.000 1.332 463 F CB -0.181 38.762 39.000 -0.094 0.000 1.621 463 F HN 0.273 nan 8.300 nan 0.000 0.605 464 S N -1.234 114.471 115.700 0.009 0.000 2.640 464 S HA 0.393 4.863 4.470 -0.000 0.000 0.262 464 S C 0.271 174.890 174.600 0.032 0.000 1.232 464 S CA -0.722 57.484 58.200 0.010 0.000 0.988 464 S CB 0.933 64.116 63.200 -0.028 0.000 1.034 464 S HN 0.167 nan 8.310 nan 0.000 0.569 465 T N 2.774 117.342 114.554 0.023 0.000 2.864 465 T HA 0.517 4.867 4.350 -0.000 0.000 0.310 465 T C -2.205 172.504 174.700 0.015 0.000 1.040 465 T CA -0.834 61.284 62.100 0.030 0.000 0.977 465 T CB 0.816 69.706 68.868 0.036 0.000 0.976 465 T HN 0.650 nan 8.240 nan 0.000 0.459 466 P HA 0.387 nan 4.420 nan 0.000 0.274 466 P C 0.142 177.436 177.300 -0.010 0.000 1.256 466 P CA -0.630 62.478 63.100 0.013 0.000 0.795 466 P CB 0.417 32.120 31.700 0.005 0.000 1.038 467 V N -1.179 118.729 119.914 -0.011 0.000 3.096 467 V HA 0.316 4.436 4.120 -0.000 0.000 0.306 467 V C 0.323 176.331 176.094 -0.143 0.000 1.088 467 V CA -0.368 61.875 62.300 -0.094 0.000 1.129 467 V CB -0.007 31.745 31.823 -0.118 0.000 1.014 467 V HN 0.440 nan 8.190 nan 0.000 0.486 468 R N 2.115 122.481 120.500 -0.223 0.000 2.476 468 R HA 0.778 5.118 4.340 -0.000 0.000 0.305 468 R C -0.726 175.366 176.300 -0.347 0.000 0.965 468 R CA -0.186 55.772 56.100 -0.237 0.000 0.867 468 R CB 1.928 32.152 30.300 -0.126 0.000 1.176 468 R HN 1.138 nan 8.270 nan 0.000 0.447 469 A N 3.316 125.863 122.820 -0.456 0.000 2.515 469 A HA 0.721 5.041 4.320 -0.000 0.000 0.298 469 A C -1.861 175.374 177.584 -0.582 0.000 1.059 469 A CA -0.550 51.195 52.037 -0.487 0.000 0.698 469 A CB 1.410 20.056 19.000 -0.589 0.000 1.289 469 A HN 0.650 nan 8.150 nan 0.000 0.404 470 Y N 0.014 120.181 120.300 -0.222 0.000 2.442 470 Y HA 0.663 5.213 4.550 -0.000 0.000 0.344 470 Y C 0.682 176.500 175.900 -0.136 0.000 0.976 470 Y CA 0.010 58.036 58.100 -0.124 0.000 1.040 470 Y CB 2.973 41.353 38.460 -0.133 0.000 1.228 470 Y HN 1.080 nan 8.280 nan 0.000 0.451 471 G N 2.303 111.182 108.800 0.132 0.000 2.695 471 G HA2 0.799 4.759 3.960 -0.000 0.000 0.290 471 G HA3 0.799 4.759 3.960 -0.000 0.000 0.290 471 G C -2.180 172.754 174.900 0.057 0.000 1.410 471 G CA -0.837 44.219 45.100 -0.072 0.000 0.844 471 G HN 0.522 nan 8.290 nan 0.000 0.478 472 L N -0.347 120.778 121.223 -0.162 0.000 2.465 472 L HA 0.659 4.999 4.340 -0.000 0.000 0.257 472 L C -1.109 175.704 176.870 -0.097 0.000 0.988 472 L CA -0.912 53.831 54.840 -0.161 0.000 0.827 472 L CB 2.749 44.558 42.059 -0.418 0.000 1.397 472 L HN 0.559 nan 8.230 nan 0.000 0.410 473 M N 0.391 119.990 119.600 -0.001 0.000 2.134 473 M HA 0.356 4.836 4.480 -0.000 0.000 0.310 473 M C 0.526 176.661 176.300 -0.275 0.000 0.966 473 M CA 0.106 55.387 55.300 -0.032 0.000 0.922 473 M CB 1.719 34.409 32.600 0.151 0.000 1.537 473 M HN 0.539 nan 8.290 nan 0.000 0.424 474 S N 3.385 118.748 115.700 -0.561 0.000 2.359 474 S HA -0.171 4.299 4.470 -0.000 0.000 0.223 474 S C 0.713 174.922 174.600 -0.651 0.000 1.039 474 S CA 2.067 59.852 58.200 -0.693 0.000 1.042 474 S CB -0.488 62.017 63.200 -1.158 0.000 0.915 474 S HN 0.801 nan 8.310 nan 0.000 0.439 475 Y N 1.026 121.000 120.300 -0.544 0.000 2.683 475 Y HA 0.604 5.154 4.550 -0.000 0.000 0.297 475 Y C 0.942 176.694 175.900 -0.246 0.000 1.147 475 Y CA -1.419 56.371 58.100 -0.516 0.000 1.274 475 Y CB -1.208 36.988 38.460 -0.439 0.000 1.143 475 Y HN 0.247 nan 8.280 nan 0.000 0.527 476 G N 1.575 110.406 108.800 0.052 0.000 2.804 476 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.230 476 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.230 476 G C 0.014 175.065 174.900 0.252 0.000 1.386 476 G CA 0.085 45.269 45.100 0.139 0.000 0.875 476 G HN 0.454 nan 8.290 nan 0.000 0.557 477 N N -0.289 118.538 118.700 0.212 0.000 2.235 477 N HA 0.423 5.163 4.740 -0.000 0.000 0.209 477 N C 0.126 175.821 175.510 0.308 0.000 1.122 477 N CA 1.109 54.285 53.050 0.210 0.000 0.845 477 N CB 0.340 38.849 38.487 0.036 0.000 1.004 477 N HN 0.893 nan 8.380 nan 0.000 0.499 478 S N -0.991 114.878 115.700 0.283 0.000 2.547 478 S HA 0.478 4.947 4.470 -0.000 0.000 0.270 478 S C -0.637 174.058 174.600 0.157 0.000 1.150 478 S CA -0.667 57.655 58.200 0.204 0.000 0.850 478 S CB 1.149 64.475 63.200 0.210 0.000 1.118 478 S HN 0.192 nan 8.310 nan 0.000 0.461 479 R N 1.044 121.544 120.500 0.000 0.000 2.544 479 R HA 0.223 4.562 4.340 -0.000 0.000 0.426 479 R C -0.610 175.583 176.300 -0.179 0.000 0.943 479 R CA -0.254 55.743 56.100 -0.172 0.000 1.162 479 R CB 0.385 30.570 30.300 -0.192 0.000 1.588 479 R HN 0.576 nan 8.270 nan 0.000 0.563 480 Q N 1.718 121.459 119.800 -0.097 0.000 2.314 480 Q HA 0.211 4.551 4.340 -0.000 0.000 0.258 480 Q C -2.294 173.651 176.000 -0.092 0.000 0.954 480 Q CA -2.032 53.720 55.803 -0.086 0.000 0.890 480 Q CB 0.830 29.539 28.738 -0.048 0.000 1.210 480 Q HN 0.052 nan 8.270 nan 0.000 0.410 481 P HA -0.129 nan 4.420 nan 0.000 0.257 481 P C 0.695 177.964 177.300 -0.052 0.000 1.153 481 P CA 1.406 64.459 63.100 -0.077 0.000 0.762 481 P CB 0.027 31.691 31.700 -0.060 0.000 0.743 482 G N 1.737 110.510 108.800 -0.045 0.000 2.179 482 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 482 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 482 G C 0.496 175.382 174.900 -0.022 0.000 0.977 482 G CA 0.318 45.402 45.100 -0.026 0.000 0.641 482 G HN 0.808 nan 8.290 nan 0.000 0.533 483 T N 0.832 115.376 114.554 -0.016 0.000 2.940 483 T HA 0.419 4.769 4.350 -0.000 0.000 0.309 483 T C 1.993 176.673 174.700 -0.032 0.000 1.056 483 T CA 1.485 63.580 62.100 -0.008 0.000 1.137 483 T CB 0.669 69.571 68.868 0.057 0.000 0.976 483 T HN 0.980 nan 8.240 nan 0.000 0.547 484 T N 1.407 115.855 114.554 -0.176 0.000 3.148 484 T HA 0.104 4.454 4.350 -0.000 0.000 0.253 484 T C 0.723 175.280 174.700 -0.239 0.000 1.134 484 T CA 0.539 62.497 62.100 -0.236 0.000 1.051 484 T CB -0.476 68.182 68.868 -0.350 0.000 0.959 484 T HN 0.833 nan 8.240 nan 0.000 0.525 485 H N -0.721 118.416 119.070 0.112 0.000 2.490 485 H HA 0.346 4.901 4.556 -0.000 0.000 0.285 485 H C 0.278 175.717 175.328 0.185 0.000 1.127 485 H CA -0.590 55.530 56.048 0.120 0.000 0.993 485 H CB 0.263 30.088 29.762 0.105 0.000 1.653 485 H HN 0.313 nan 8.280 nan 0.000 0.557 486 Y N 0.732 121.103 120.300 0.118 0.000 2.472 486 Y HA 0.030 4.580 4.550 -0.000 0.000 0.288 486 Y C 1.985 177.933 175.900 0.080 0.000 1.154 486 Y CA 0.963 59.118 58.100 0.092 0.000 1.238 486 Y CB 0.407 38.900 38.460 0.055 0.000 1.287 486 Y HN 0.153 nan 8.280 nan 0.000 0.524 487 S N -0.407 115.277 115.700 -0.027 0.000 2.557 487 S HA 0.048 4.518 4.470 -0.000 0.000 0.223 487 S C 0.716 175.292 174.600 -0.039 0.000 0.969 487 S CA 0.218 58.348 58.200 -0.117 0.000 0.927 487 S CB -0.367 62.826 63.200 -0.012 0.000 0.806 487 S HN 0.592 nan 8.310 nan 0.000 0.489 488 D N 1.000 121.409 120.400 0.015 0.000 2.328 488 D HA 0.032 4.671 4.640 -0.000 0.000 0.226 488 D C 1.159 177.471 176.300 0.020 0.000 1.066 488 D CA 0.143 54.169 54.000 0.043 0.000 0.861 488 D CB -0.102 40.766 40.800 0.113 0.000 0.912 488 D HN 0.522 nan 8.370 nan 0.000 0.521 489 Q N -0.791 118.992 119.800 -0.028 0.000 2.288 489 Q HA 0.208 4.548 4.340 -0.000 0.000 0.256 489 Q C 1.642 177.587 176.000 -0.093 0.000 0.835 489 Q CA -0.292 55.477 55.803 -0.057 0.000 0.958 489 Q CB 0.560 29.261 28.738 -0.063 0.000 1.125 489 Q HN 0.111 nan 8.270 nan 0.000 0.513 490 I N 1.947 122.458 120.570 -0.099 0.000 2.286 490 I HA -0.243 3.926 4.170 -0.000 0.000 0.248 490 I C 2.332 178.420 176.117 -0.048 0.000 1.115 490 I CA 1.418 62.669 61.300 -0.082 0.000 1.392 490 I CB 0.068 38.025 38.000 -0.072 0.000 1.065 490 I HN 0.159 nan 8.210 nan 0.000 0.418 491 E N 0.937 121.114 120.200 -0.038 0.000 2.058 491 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 491 E C 2.389 178.964 176.600 -0.042 0.000 0.997 491 E CA 1.410 57.794 56.400 -0.027 0.000 0.801 491 E CB -0.148 29.543 29.700 -0.015 0.000 0.746 491 E HN 0.489 nan 8.360 nan 0.000 0.450 492 R N -0.031 120.433 120.500 -0.060 0.000 2.105 492 R HA -0.118 4.221 4.340 -0.000 0.000 0.239 492 R C 2.546 178.755 176.300 -0.151 0.000 1.135 492 R CA 1.388 57.432 56.100 -0.092 0.000 0.967 492 R CB -0.332 29.909 30.300 -0.099 0.000 0.861 492 R HN 0.093 nan 8.270 nan 0.000 0.442 493 V N 1.127 120.948 119.914 -0.154 0.000 2.295 493 V HA -0.275 3.844 4.120 -0.000 0.000 0.246 493 V C 2.480 178.539 176.094 -0.058 0.000 1.049 493 V CA 2.198 64.407 62.300 -0.151 0.000 1.024 493 V CB -0.659 31.119 31.823 -0.073 0.000 0.648 493 V HN 0.482 nan 8.190 nan 0.000 0.447 494 S N 0.421 116.099 115.700 -0.036 0.000 2.419 494 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 494 S C 1.884 176.485 174.600 0.001 0.000 1.019 494 S CA 1.370 59.560 58.200 -0.017 0.000 0.982 494 S CB -0.429 62.760 63.200 -0.017 0.000 0.789 494 S HN 0.633 nan 8.310 nan 0.000 0.490 495 R N 0.725 121.216 120.500 -0.014 0.000 2.362 495 R HA 0.489 4.829 4.340 -0.000 0.000 0.227 495 R C 0.825 177.136 176.300 0.018 0.000 0.905 495 R CA 0.406 56.510 56.100 0.006 0.000 1.067 495 R CB -0.012 30.288 30.300 0.000 0.000 1.078 495 R HN 0.468 nan 8.270 nan 0.000 0.516 496 A N 2.250 125.060 122.820 -0.016 0.000 2.687 496 A HA -0.200 4.119 4.320 -0.000 0.000 0.299 496 A C -0.266 177.334 177.584 0.026 0.000 1.497 496 A CA 1.130 53.168 52.037 0.001 0.000 0.751 496 A CB -1.556 17.573 19.000 0.216 0.000 1.048 496 A HN 0.392 nan 8.150 nan 0.000 0.464 497 D N -0.141 120.185 120.400 -0.122 0.000 2.505 497 D HA 0.538 5.178 4.640 -0.000 0.000 0.242 497 D C -0.232 176.037 176.300 -0.052 0.000 1.136 497 D CA -0.342 53.649 54.000 -0.016 0.000 0.954 497 D CB -0.388 40.403 40.800 -0.016 0.000 1.002 497 D HN 0.227 nan 8.370 nan 0.000 0.512 498 F N 1.729 121.672 119.950 -0.012 0.000 2.471 498 F HA 0.301 4.828 4.527 -0.000 0.000 0.353 498 F C 1.702 177.580 175.800 0.130 0.000 1.113 498 F CA -0.260 57.757 58.000 0.028 0.000 1.262 498 F CB 0.707 39.710 39.000 0.005 0.000 1.146 498 F HN -0.061 nan 8.300 nan 0.000 0.578 499 R N 1.611 122.262 120.500 0.251 0.000 2.543 499 R HA 0.093 4.432 4.340 -0.000 0.000 0.277 499 R C -0.041 176.387 176.300 0.212 0.000 1.074 499 R CA -0.511 55.710 56.100 0.202 0.000 1.076 499 R CB 0.461 30.835 30.300 0.123 0.000 0.993 499 R HN 0.632 nan 8.270 nan 0.000 0.459 500 E N 3.658 123.905 120.200 0.078 0.000 2.324 500 E HA 0.009 4.358 4.350 -0.000 0.000 0.271 500 E C -0.640 175.836 176.600 -0.208 0.000 1.028 500 E CA -0.264 55.939 56.400 -0.328 0.000 0.890 500 E CB 0.545 30.060 29.700 -0.308 0.000 1.004 500 E HN 0.353 nan 8.360 nan 0.000 0.431 501 L N 6.035 127.083 121.223 -0.292 0.000 2.360 501 L HA 0.192 4.532 4.340 -0.000 0.000 0.276 501 L C -0.189 176.496 176.870 -0.309 0.000 1.121 501 L CA -0.368 54.320 54.840 -0.253 0.000 0.845 501 L CB 0.310 42.179 42.059 -0.316 0.000 1.143 501 L HN 0.494 nan 8.230 nan 0.000 0.452 502 L N 5.083 126.188 121.223 -0.196 0.000 2.255 502 L HA 0.200 4.540 4.340 -0.000 0.000 0.289 502 L C 0.506 177.287 176.870 -0.148 0.000 1.046 502 L CA -0.253 54.516 54.840 -0.118 0.000 0.816 502 L CB 1.284 43.339 42.059 -0.006 0.000 1.197 502 L HN 0.607 nan 8.230 nan 0.000 0.427 503 L N 2.303 123.421 121.223 -0.175 0.000 2.362 503 L HA 0.256 4.596 4.340 -0.000 0.000 0.204 503 L C 1.148 178.061 176.870 0.072 0.000 1.060 503 L CA 0.496 55.235 54.840 -0.168 0.000 0.827 503 L CB -0.006 41.949 42.059 -0.174 0.000 1.027 503 L HN 0.456 nan 8.230 nan 0.000 0.474 504 R N 0.070 120.593 120.500 0.038 0.000 2.543 504 R HA 0.074 4.414 4.340 -0.000 0.000 0.277 504 R C 0.997 177.343 176.300 0.077 0.000 1.074 504 R CA -0.320 55.816 56.100 0.060 0.000 1.076 504 R CB 0.752 31.068 30.300 0.027 0.000 0.993 504 R HN -0.062 nan 8.270 nan 0.000 0.459 505 R N 2.796 123.340 120.500 0.075 0.000 2.091 505 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 505 R C 1.934 178.262 176.300 0.047 0.000 1.136 505 R CA 2.212 58.350 56.100 0.063 0.000 0.959 505 R CB -0.192 30.133 30.300 0.040 0.000 0.856 505 R HN 0.778 nan 8.270 nan 0.000 0.437 506 E N 0.536 120.758 120.200 0.036 0.000 2.110 506 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 506 E C 1.643 178.260 176.600 0.028 0.000 0.988 506 E CA 1.520 57.937 56.400 0.028 0.000 0.804 506 E CB -0.410 29.303 29.700 0.021 0.000 0.745 506 E HN 0.605 nan 8.360 nan 0.000 0.458 507 Q N 0.619 120.437 119.800 0.029 0.000 2.079 507 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 507 Q C 2.548 178.571 176.000 0.039 0.000 0.974 507 Q CA 1.580 57.398 55.803 0.024 0.000 0.840 507 Q CB 0.020 28.763 28.738 0.009 0.000 0.898 507 Q HN 0.176 nan 8.270 nan 0.000 0.430 508 V N 1.254 121.203 119.914 0.059 0.000 2.343 508 V HA -0.252 3.867 4.120 -0.000 0.000 0.247 508 V C 1.875 178.003 176.094 0.056 0.000 1.051 508 V CA 1.898 64.244 62.300 0.076 0.000 1.036 508 V CB -0.486 31.406 31.823 0.114 0.000 0.654 508 V HN 0.345 nan 8.190 nan 0.000 0.451 509 E N 0.272 120.500 120.200 0.045 0.000 2.110 509 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 509 E C 2.297 178.916 176.600 0.033 0.000 0.988 509 E CA 1.257 57.679 56.400 0.036 0.000 0.804 509 E CB -0.316 29.401 29.700 0.029 0.000 0.745 509 E HN 0.605 nan 8.360 nan 0.000 0.458 510 A N 0.892 123.731 122.820 0.031 0.000 2.015 510 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 510 A C 2.162 179.766 177.584 0.032 0.000 1.163 510 A CA 1.500 53.554 52.037 0.029 0.000 0.646 510 A CB -0.168 18.847 19.000 0.025 0.000 0.806 510 A HN 0.263 nan 8.150 nan 0.000 0.448 511 A N -1.015 121.827 122.820 0.037 0.000 2.348 511 A HA 0.454 4.774 4.320 -0.000 0.000 0.224 511 A C 0.881 178.490 177.584 0.043 0.000 1.227 511 A CA 0.302 52.363 52.037 0.040 0.000 0.885 511 A CB -0.430 18.596 19.000 0.043 0.000 0.933 511 A HN 0.591 nan 8.150 nan 0.000 0.506 512 V N 0.690 120.629 119.914 0.042 0.000 2.599 512 V HA 0.065 4.185 4.120 -0.000 0.000 0.300 512 V C 0.604 176.724 176.094 0.044 0.000 1.034 512 V CA 0.571 62.896 62.300 0.043 0.000 1.115 512 V CB 0.940 32.788 31.823 0.042 0.000 0.934 512 V HN 0.591 nan 8.190 nan 0.000 0.485 513 Q N 4.225 124.054 119.800 0.048 0.000 2.245 513 Q HA 0.336 4.675 4.340 -0.000 0.000 0.250 513 Q C 0.147 176.182 176.000 0.057 0.000 0.830 513 Q CA 0.194 56.030 55.803 0.055 0.000 0.950 513 Q CB 1.242 30.021 28.738 0.069 0.000 1.124 513 Q HN 0.908 nan 8.270 nan 0.000 0.502 514 E N 0.510 120.743 120.200 0.055 0.000 2.291 514 E HA 0.375 4.725 4.350 -0.000 0.000 0.276 514 E C -1.192 175.440 176.600 0.053 0.000 0.896 514 E CA -0.308 56.125 56.400 0.055 0.000 0.774 514 E CB 1.565 31.303 29.700 0.065 0.000 1.227 514 E HN -0.107 nan 8.360 nan 0.000 0.413 515 R N 2.242 122.772 120.500 0.051 0.000 2.229 515 R HA 0.360 4.700 4.340 -0.000 0.000 0.332 515 R C -0.963 175.377 176.300 0.067 0.000 0.989 515 R CA -0.342 55.791 56.100 0.056 0.000 0.842 515 R CB 1.715 32.041 30.300 0.043 0.000 1.119 515 R HN 0.331 nan 8.270 nan 0.000 0.456 516 T N 5.507 120.116 114.554 0.092 0.000 2.853 516 T HA 0.259 4.609 4.350 -0.000 0.000 0.317 516 T C -1.974 172.835 174.700 0.183 0.000 1.059 516 T CA -1.409 60.764 62.100 0.121 0.000 0.954 516 T CB 0.889 69.827 68.868 0.117 0.000 0.994 516 T HN 0.380 nan 8.240 nan 0.000 0.479 517 P HA 0.528 nan 4.420 nan 0.000 0.278 517 P C -0.877 176.521 177.300 0.164 0.000 1.238 517 P CA -0.582 62.561 63.100 0.071 0.000 0.794 517 P CB 0.558 32.259 31.700 0.002 0.000 0.955 518 F N -0.420 119.544 119.950 0.023 0.000 2.629 518 F HA 0.693 5.220 4.527 -0.000 0.000 0.316 518 F C -1.004 174.826 175.800 0.051 0.000 1.081 518 F CA -1.280 56.742 58.000 0.036 0.000 0.954 518 F CB 1.780 40.802 39.000 0.035 0.000 1.337 518 F HN 0.388 nan 8.300 nan 0.000 0.474 519 N N 1.135 119.939 118.700 0.173 0.000 2.397 519 N HA 0.480 5.220 4.740 -0.000 0.000 0.291 519 N C -2.369 173.300 175.510 0.264 0.000 1.065 519 N CA -0.603 52.494 53.050 0.079 0.000 0.884 519 N CB 2.145 40.625 38.487 -0.011 0.000 1.551 519 N HN 0.882 nan 8.380 nan 0.000 0.487 520 F N 2.505 122.528 119.950 0.121 0.000 2.467 520 F HA 0.669 5.196 4.527 -0.000 0.000 0.336 520 F C -0.973 174.864 175.800 0.061 0.000 1.123 520 F CA -0.672 57.401 58.000 0.121 0.000 0.964 520 F CB 1.451 40.555 39.000 0.174 0.000 1.136 520 F HN 0.477 nan 8.300 nan 0.000 0.447 521 K N 7.066 127.007 120.400 -0.764 0.000 2.471 521 K HA 0.551 4.871 4.320 -0.000 0.000 0.252 521 K C -2.489 173.578 176.600 -0.888 0.000 0.938 521 K CA -1.952 53.874 56.287 -0.768 0.000 0.796 521 K CB 1.363 33.676 32.500 -0.312 0.000 1.161 521 K HN 0.400 nan 8.250 nan 0.000 0.425 522 P HA 0.000 nan 4.420 nan 0.000 0.216 522 P CA 0.000 62.890 63.100 -0.350 0.000 0.800 522 P CB 0.000 31.612 31.700 -0.147 0.000 0.726