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 3i5o_1_B DATA FIRST_RESID 2 DATA SEQUENCE SLPREDTVYI GGALWGPATT WNLYAPQSTW GTDQFMYLPA FQYDLGRDAW DATA SEQUENCE IPVIAERYEF VDDKTLRIYI RPEARWSDGV PITADDFVYA LELTKELGIG DATA SEQUENCE PGGGWDTYIE YVKAVDTKVV EFKAKEENLN YFQFLSYSLG AQPMPKHVYE DATA SEQUENCE RIRAQMNIKD WINDKPEEQV VSGPYKLYYY DPNIVVYQRV DDWWGKDIFG DATA SEQUENCE LPRPKYLAHV IYKDNPSASL AFERGDIDWN GLFIPSVWEL WEKKGLPVGT DATA SEQUENCE WYKKEPYFIP DGVGFVYVNN TKPGLSDPAV RKAIAYAIPY NEMLKKAYFG DATA SEQUENCE YGSQAHPSMV IDLFEPYKQY IDYELAKKTF GTEDGRIPFD LDMANKILDE DATA SEQUENCE AGYKKGPDGV RVGPDGTKLG PYTISVPYGW TDWMMMCEMI AKNLRSIGID DATA SEQUENCE VKTEFPDFSV WADRMTKGTF DLIISWSVGP SFDHPFNIYR FVLDKRLSKP DATA SEQUENCE VGEVTWAGDW ERYDNDEVVE LLDKAVSTLD PEVRKQAYFR IQQIIYRDMP DATA SEQUENCE SIPAFYTAHW YEYSTKYWIN WPSEDNPAWF RPSPWHADAW PTLFIISKKS DATA SEQUENCE DPQPVPSWLG TVDEGGIEIP TAKIFEDLQK AT 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.541 174.600 -0.098 0.000 1.055 2 S CA 0.000 58.156 58.200 -0.074 0.000 1.107 2 S CB 0.000 63.128 63.200 -0.121 0.000 0.593 3 L N 4.316 125.474 121.223 -0.107 0.000 2.326 3 L HA 0.546 4.887 4.340 0.001 0.000 0.278 3 L C -2.368 174.464 176.870 -0.062 0.000 1.092 3 L CA -2.001 52.719 54.840 -0.201 0.000 0.810 3 L CB 0.355 42.264 42.059 -0.250 0.000 1.153 3 L HN 0.161 nan 8.230 nan 0.000 0.439 4 P HA 0.082 nan 4.420 nan 0.000 0.270 4 P C 0.082 177.403 177.300 0.036 0.000 1.242 4 P CA -0.393 62.721 63.100 0.023 0.000 0.768 4 P CB 1.042 32.783 31.700 0.069 0.000 0.820 5 R N 4.114 124.607 120.500 -0.012 0.000 2.091 5 R HA -0.186 4.154 4.340 0.001 0.000 0.238 5 R C 1.447 177.624 176.300 -0.204 0.000 1.136 5 R CA 1.938 57.984 56.100 -0.090 0.000 0.959 5 R CB -0.666 29.491 30.300 -0.238 0.000 0.856 5 R HN 0.457 nan 8.270 nan 0.000 0.437 6 E N -0.384 119.708 120.200 -0.179 0.000 2.427 6 E HA -0.061 4.290 4.350 0.001 0.000 0.196 6 E C 0.317 176.846 176.600 -0.118 0.000 1.028 6 E CA 0.907 57.182 56.400 -0.207 0.000 0.864 6 E CB 0.226 29.855 29.700 -0.118 0.000 0.813 6 E HN 0.355 nan 8.360 nan 0.000 0.514 7 D N -0.056 120.399 120.400 0.091 0.000 2.440 7 D HA 0.073 4.713 4.640 0.001 0.000 0.216 7 D C -0.385 176.172 176.300 0.429 0.000 1.150 7 D CA 0.295 54.452 54.000 0.262 0.000 0.832 7 D CB 0.947 41.849 40.800 0.170 0.000 0.992 7 D HN -0.058 nan 8.370 nan 0.000 0.502 8 T N 0.426 115.237 114.554 0.429 0.000 2.841 8 T HA 0.371 4.722 4.350 0.001 0.000 0.283 8 T C -0.033 174.883 174.700 0.361 0.000 1.000 8 T CA -0.464 61.800 62.100 0.274 0.000 0.977 8 T CB 2.932 71.805 68.868 0.008 0.000 0.979 8 T HN -0.314 nan 8.240 nan 0.000 0.446 9 V N 4.004 123.937 119.914 0.032 0.000 2.350 9 V HA 0.346 4.467 4.120 0.001 0.000 0.276 9 V C -0.922 175.194 176.094 0.037 0.000 1.028 9 V CA -0.705 61.590 62.300 -0.009 0.000 0.860 9 V CB 0.240 31.881 31.823 -0.304 0.000 0.990 9 V HN 0.780 nan 8.190 nan 0.000 0.453 10 Y N 5.273 125.715 120.300 0.237 0.000 2.308 10 Y HA 0.611 5.161 4.550 0.001 0.000 0.329 10 Y C 0.328 176.303 175.900 0.124 0.000 1.111 10 Y CA -0.220 57.985 58.100 0.175 0.000 1.179 10 Y CB 1.326 39.886 38.460 0.167 0.000 1.201 10 Y HN 0.449 nan 8.280 nan 0.000 0.483 11 I N 1.999 122.612 120.570 0.071 0.000 2.646 11 I HA 0.721 4.892 4.170 0.001 0.000 0.299 11 I C 0.209 175.864 176.117 -0.771 0.000 1.036 11 I CA -0.715 60.429 61.300 -0.261 0.000 1.074 11 I CB 2.346 40.183 38.000 -0.272 0.000 1.258 11 I HN 0.698 nan 8.210 nan 0.000 0.430 12 G N 1.327 109.723 108.800 -0.674 0.000 2.574 12 G HA2 0.532 4.492 3.960 0.001 0.000 0.299 12 G HA3 0.532 4.492 3.960 0.001 0.000 0.299 12 G C 0.369 174.996 174.900 -0.454 0.000 1.298 12 G CA -0.292 44.433 45.100 -0.625 0.000 0.952 12 G HN 1.059 nan 8.290 nan 0.000 0.477 13 G N -1.094 107.497 108.800 -0.349 0.000 2.168 13 G HA2 0.041 4.002 3.960 0.001 0.000 0.263 13 G HA3 0.041 4.002 3.960 0.001 0.000 0.263 13 G C 1.044 175.926 174.900 -0.031 0.000 0.977 13 G CA 1.418 46.411 45.100 -0.180 0.000 0.659 13 G HN 1.821 nan 8.290 nan 0.000 0.533 14 A N -1.419 121.293 122.820 -0.181 0.000 2.055 14 A HA 0.720 5.041 4.320 0.001 0.000 0.205 14 A C 0.791 178.001 177.584 -0.623 0.000 1.235 14 A CA 1.328 53.153 52.037 -0.354 0.000 0.822 14 A CB 0.368 18.836 19.000 -0.887 0.000 0.903 14 A HN 1.276 nan 8.150 nan 0.000 0.473 15 L N -0.091 120.502 121.223 -1.050 0.000 2.298 15 L HA 0.697 5.038 4.340 0.001 0.000 0.284 15 L C -1.867 174.494 176.870 -0.848 0.000 1.013 15 L CA -0.756 53.554 54.840 -0.883 0.000 0.824 15 L CB 0.711 42.111 42.059 -1.098 0.000 1.221 15 L HN 0.318 nan 8.230 nan 0.000 0.418 16 W N 4.814 125.896 121.300 -0.364 0.000 2.785 16 W HA 0.730 5.391 4.660 0.001 0.000 0.333 16 W C 0.666 177.147 176.519 -0.063 0.000 1.062 16 W CA 0.168 57.416 57.345 -0.162 0.000 1.233 16 W CB 1.909 31.333 29.460 -0.061 0.000 1.413 16 W HN 1.007 nan 8.180 nan 0.000 0.489 17 G N 3.010 112.008 108.800 0.329 0.000 2.782 17 G HA2 -0.163 3.798 3.960 0.001 0.000 0.228 17 G HA3 -0.163 3.798 3.960 0.001 0.000 0.228 17 G C -2.656 172.338 174.900 0.157 0.000 1.372 17 G CA -1.269 43.999 45.100 0.280 0.000 0.862 17 G HN 0.362 nan 8.290 nan 0.000 0.547 18 P HA 0.513 nan 4.420 nan 0.000 0.274 18 P C 0.415 177.758 177.300 0.072 0.000 1.237 18 P CA 0.518 63.684 63.100 0.111 0.000 0.793 18 P CB 0.626 32.397 31.700 0.119 0.000 0.977 19 A N 1.729 124.582 122.820 0.055 0.000 2.507 19 A HA 0.335 4.655 4.320 0.001 0.000 0.235 19 A C 1.286 178.784 177.584 -0.144 0.000 1.070 19 A CA 0.900 52.873 52.037 -0.108 0.000 0.768 19 A CB -0.634 18.302 19.000 -0.107 0.000 1.011 19 A HN 0.717 nan 8.150 nan 0.000 0.502 20 T N -1.437 112.908 114.554 -0.349 0.000 3.463 20 T HA 0.484 4.835 4.350 0.001 0.000 0.203 20 T C 0.783 175.272 174.700 -0.351 0.000 0.955 20 T CA 0.883 62.853 62.100 -0.217 0.000 1.230 20 T CB -0.511 68.299 68.868 -0.097 0.000 1.392 20 T HN 1.398 nan 8.240 nan 0.000 0.361 21 T N -2.439 111.817 114.554 -0.497 0.000 2.831 21 T HA 0.538 4.889 4.350 0.001 0.000 0.287 21 T C -1.380 172.886 174.700 -0.723 0.000 1.070 21 T CA -0.986 60.864 62.100 -0.416 0.000 1.010 21 T CB 1.478 70.261 68.868 -0.142 0.000 1.264 21 T HN 0.537 nan 8.240 nan 0.000 0.532 22 W N 1.684 122.883 121.300 -0.167 0.000 1.903 22 W HA 0.356 5.017 4.660 0.001 0.000 0.349 22 W C 0.072 176.559 176.519 -0.054 0.000 0.814 22 W CA -0.671 56.628 57.345 -0.076 0.000 2.728 22 W CB 0.173 29.591 29.460 -0.071 0.000 1.621 22 W HN 0.629 nan 8.180 nan 0.000 0.644 23 N N 1.386 120.108 118.700 0.037 0.000 2.491 23 N HA 0.228 4.969 4.740 0.001 0.000 0.274 23 N C 0.336 175.924 175.510 0.129 0.000 1.023 23 N CA -0.217 52.904 53.050 0.119 0.000 0.902 23 N CB 1.071 39.609 38.487 0.086 0.000 1.267 23 N HN -0.008 nan 8.380 nan 0.000 0.503 24 L N 2.500 123.768 121.223 0.076 0.000 2.551 24 L HA -0.007 4.334 4.340 0.001 0.000 0.228 24 L C 0.443 177.182 176.870 -0.219 0.000 1.153 24 L CA 0.791 55.550 54.840 -0.135 0.000 0.851 24 L CB -0.298 41.582 42.059 -0.298 0.000 0.959 24 L HN 0.597 nan 8.230 nan 0.000 0.451 25 Y N -0.357 120.032 120.300 0.148 0.000 2.457 25 Y HA 0.328 4.879 4.550 0.001 0.000 0.263 25 Y C 1.425 177.437 175.900 0.187 0.000 1.164 25 Y CA -0.415 57.786 58.100 0.167 0.000 1.274 25 Y CB -0.005 38.571 38.460 0.195 0.000 1.097 25 Y HN 0.037 nan 8.280 nan 0.000 0.523 26 A N 0.680 123.664 122.820 0.273 0.000 2.286 26 A HA 0.323 4.644 4.320 0.001 0.000 0.286 26 A C -1.431 176.281 177.584 0.214 0.000 1.097 26 A CA -1.313 50.857 52.037 0.222 0.000 0.821 26 A CB 0.172 19.269 19.000 0.161 0.000 1.076 26 A HN 0.051 nan 8.150 nan 0.000 0.490 27 P HA -0.102 nan 4.420 nan 0.000 0.218 27 P C -0.062 177.471 177.300 0.388 0.000 1.148 27 P CA 1.376 64.639 63.100 0.271 0.000 0.822 27 P CB 0.193 32.001 31.700 0.180 0.000 0.784 28 Q N -1.193 118.759 119.800 0.253 0.000 2.359 28 Q HA 0.504 4.844 4.340 0.001 0.000 0.274 28 Q C -0.711 175.314 176.000 0.040 0.000 1.074 28 Q CA -0.672 55.266 55.803 0.225 0.000 0.810 28 Q CB 2.593 31.484 28.738 0.255 0.000 1.342 28 Q HN -0.035 nan 8.270 nan 0.000 0.427 29 S N -0.015 115.649 115.700 -0.060 0.000 2.671 29 S HA 0.661 5.132 4.470 0.001 0.000 0.299 29 S C -0.400 174.057 174.600 -0.238 0.000 1.116 29 S CA -0.727 57.358 58.200 -0.193 0.000 0.912 29 S CB 1.893 64.992 63.200 -0.169 0.000 1.130 29 S HN 0.397 nan 8.310 nan 0.000 0.501 30 T N 2.031 116.304 114.554 -0.468 0.000 2.845 30 T HA 0.284 4.635 4.350 0.001 0.000 0.288 30 T C -0.301 174.322 174.700 -0.129 0.000 0.980 30 T CA -0.353 61.505 62.100 -0.405 0.000 1.071 30 T CB 0.125 68.427 68.868 -0.942 0.000 0.941 30 T HN 0.675 nan 8.240 nan 0.000 0.487 31 W N 2.991 124.219 121.300 -0.120 0.000 2.484 31 W HA 0.274 4.934 4.660 0.001 0.000 0.337 31 W C 1.075 177.669 176.519 0.125 0.000 1.214 31 W CA 1.588 58.915 57.345 -0.031 0.000 1.296 31 W CB -0.275 29.164 29.460 -0.036 0.000 1.174 31 W HN 1.012 nan 8.180 nan 0.000 0.564 32 G N 2.418 110.566 108.800 -1.086 0.000 2.284 32 G HA2 -0.355 3.605 3.960 0.001 0.000 0.216 32 G HA3 -0.355 3.605 3.960 0.001 0.000 0.216 32 G C 0.944 175.485 174.900 -0.598 0.000 1.009 32 G CA 0.319 44.703 45.100 -1.194 0.000 0.625 32 G HN 0.650 nan 8.290 nan 0.000 0.501 33 T N 0.645 115.072 114.554 -0.211 0.000 2.643 33 T HA -0.043 4.308 4.350 0.001 0.000 0.264 33 T C 1.779 176.505 174.700 0.042 0.000 1.045 33 T CA 1.782 63.916 62.100 0.056 0.000 1.155 33 T CB -0.310 68.624 68.868 0.111 0.000 0.863 33 T HN 0.303 nan 8.240 nan 0.000 0.420 34 D N 0.423 120.791 120.400 -0.053 0.000 2.123 34 D HA -0.043 4.598 4.640 0.001 0.000 0.200 34 D C 2.354 178.569 176.300 -0.142 0.000 0.976 34 D CA 0.971 54.966 54.000 -0.008 0.000 0.831 34 D CB -0.114 40.664 40.800 -0.036 0.000 0.974 34 D HN 0.262 nan 8.370 nan 0.000 0.469 35 Q N -1.027 118.510 119.800 -0.437 0.000 2.061 35 Q HA -0.097 4.243 4.340 0.001 0.000 0.204 35 Q C 1.485 177.110 176.000 -0.625 0.000 0.984 35 Q CA 1.531 56.914 55.803 -0.700 0.000 0.846 35 Q CB -0.129 27.734 28.738 -1.458 0.000 0.902 35 Q HN 0.368 nan 8.270 nan 0.000 0.421 36 F N -2.887 116.939 119.950 -0.207 0.000 2.778 36 F HA 0.307 4.835 4.527 0.001 0.000 0.314 36 F C 1.584 177.229 175.800 -0.259 0.000 1.073 36 F CA 0.029 57.889 58.000 -0.234 0.000 1.218 36 F CB -0.009 38.770 39.000 -0.368 0.000 1.037 36 F HN -0.047 nan 8.300 nan 0.000 0.594 37 M N -1.270 118.239 119.600 -0.151 0.000 2.394 37 M HA 0.078 4.559 4.480 0.001 0.000 0.266 37 M C -0.628 175.389 176.300 -0.471 0.000 1.098 37 M CA 1.164 56.262 55.300 -0.336 0.000 1.149 37 M CB 0.186 32.512 32.600 -0.457 0.000 1.369 37 M HN -0.102 nan 8.290 nan 0.000 0.450 38 Y N 0.726 121.076 120.300 0.083 0.000 2.363 38 Y HA 0.516 5.066 4.550 0.001 0.000 0.325 38 Y C -0.540 175.394 175.900 0.057 0.000 0.984 38 Y CA -0.886 57.297 58.100 0.137 0.000 1.248 38 Y CB 0.659 39.220 38.460 0.167 0.000 1.116 38 Y HN -0.055 nan 8.280 nan 0.000 0.470 39 L N 5.983 127.293 121.223 0.146 0.000 2.416 39 L HA 0.588 4.928 4.340 0.001 0.000 0.262 39 L C -2.089 174.856 176.870 0.125 0.000 1.093 39 L CA -1.951 52.909 54.840 0.033 0.000 0.801 39 L CB 1.415 43.413 42.059 -0.102 0.000 1.191 39 L HN 0.331 nan 8.230 nan 0.000 0.459 40 P HA 0.213 nan 4.420 nan 0.000 0.284 40 P C -0.269 177.186 177.300 0.259 0.000 1.287 40 P CA -0.512 62.738 63.100 0.250 0.000 0.824 40 P CB 1.431 33.328 31.700 0.328 0.000 1.180 41 A N 0.584 123.623 122.820 0.365 0.000 1.858 41 A HA -0.030 4.291 4.320 0.001 0.000 0.216 41 A C 0.621 178.199 177.584 -0.011 0.000 1.190 41 A CA 1.467 53.654 52.037 0.250 0.000 0.617 41 A CB -1.157 18.050 19.000 0.345 0.000 0.827 41 A HN 0.527 nan 8.150 nan 0.000 0.443 42 F N -1.826 118.302 119.950 0.297 0.000 2.540 42 F HA 0.526 5.054 4.527 0.001 0.000 0.317 42 F C -0.030 176.061 175.800 0.485 0.000 1.104 42 F CA -0.923 57.310 58.000 0.389 0.000 0.913 42 F CB 1.916 41.160 39.000 0.406 0.000 1.170 42 F HN 0.068 nan 8.300 nan 0.000 0.450 43 Q N 2.885 123.069 119.800 0.640 0.000 2.331 43 Q HA 0.226 4.567 4.340 0.001 0.000 0.257 43 Q C -1.380 174.889 176.000 0.447 0.000 0.957 43 Q CA -0.593 55.548 55.803 0.563 0.000 0.923 43 Q CB 0.480 29.569 28.738 0.585 0.000 1.212 43 Q HN 0.518 nan 8.270 nan 0.000 0.443 44 Y N 3.173 123.522 120.300 0.081 0.000 2.511 44 Y HA 0.204 4.754 4.550 0.001 0.000 0.332 44 Y C -0.487 175.326 175.900 -0.145 0.000 1.177 44 Y CA 0.207 58.017 58.100 -0.485 0.000 1.422 44 Y CB 0.785 38.758 38.460 -0.811 0.000 1.271 44 Y HN 0.645 nan 8.280 nan 0.000 0.550 45 D N 6.495 126.311 120.400 -0.972 0.000 2.462 45 D HA 0.054 4.694 4.640 0.001 0.000 0.249 45 D C 0.516 176.081 176.300 -1.225 0.000 1.117 45 D CA -0.396 53.143 54.000 -0.769 0.000 0.900 45 D CB 0.690 41.342 40.800 -0.248 0.000 1.039 45 D HN 0.688 nan 8.370 nan 0.000 0.516 46 L N 4.033 124.578 121.223 -1.130 0.000 2.079 46 L HA 0.075 4.416 4.340 0.001 0.000 0.210 46 L C 2.034 178.530 176.870 -0.625 0.000 1.081 46 L CA 2.401 56.788 54.840 -0.754 0.000 0.752 46 L CB -0.601 41.259 42.059 -0.332 0.000 0.896 46 L HN 0.488 nan 8.230 nan 0.000 0.433 47 G N -0.865 107.541 108.800 -0.657 0.000 2.432 47 G HA2 -0.239 3.722 3.960 0.001 0.000 0.219 47 G HA3 -0.239 3.722 3.960 0.001 0.000 0.219 47 G C 1.673 176.297 174.900 -0.460 0.000 1.135 47 G CA 0.759 45.469 45.100 -0.650 0.000 0.767 47 G HN 0.462 nan 8.290 nan 0.000 0.550 48 R N -0.534 119.739 120.500 -0.379 0.000 2.437 48 R HA 0.144 4.485 4.340 0.001 0.000 0.257 48 R C 0.255 176.443 176.300 -0.186 0.000 0.927 48 R CA 0.214 56.181 56.100 -0.221 0.000 1.078 48 R CB 0.450 30.678 30.300 -0.120 0.000 1.161 48 R HN 0.191 nan 8.270 nan 0.000 0.529 49 D N 1.042 121.274 120.400 -0.280 0.000 2.740 49 D HA -0.208 4.432 4.640 0.001 0.000 0.231 49 D C -1.168 175.113 176.300 -0.031 0.000 1.194 49 D CA 1.003 54.926 54.000 -0.129 0.000 0.673 49 D CB -0.619 40.201 40.800 0.033 0.000 0.995 49 D HN 0.431 nan 8.370 nan 0.000 0.411 50 A N 0.250 122.943 122.820 -0.212 0.000 2.583 50 A HA 0.767 5.087 4.320 0.001 0.000 0.289 50 A C -1.535 175.986 177.584 -0.105 0.000 1.151 50 A CA -0.871 51.186 52.037 0.033 0.000 0.695 50 A CB 1.046 20.104 19.000 0.096 0.000 1.290 50 A HN 0.149 nan 8.150 nan 0.000 0.419 51 W N 0.204 121.614 121.300 0.184 0.000 2.619 51 W HA 0.625 5.286 4.660 0.001 0.000 0.327 51 W C -0.634 176.113 176.519 0.381 0.000 1.027 51 W CA -0.308 57.210 57.345 0.289 0.000 1.233 51 W CB 1.265 30.852 29.460 0.211 0.000 1.370 51 W HN 0.449 nan 8.180 nan 0.000 0.453 52 I N 5.694 126.611 120.570 0.578 0.000 2.396 52 I HA 0.177 4.348 4.170 0.001 0.000 0.289 52 I C -1.930 174.494 176.117 0.512 0.000 1.056 52 I CA -1.887 59.723 61.300 0.516 0.000 1.365 52 I CB 0.545 38.815 38.000 0.449 0.000 1.407 52 I HN -0.000 nan 8.210 nan 0.000 0.509 53 P HA 0.106 nan 4.420 nan 0.000 0.275 53 P C 0.202 177.565 177.300 0.106 0.000 1.276 53 P CA 0.039 63.129 63.100 -0.016 0.000 0.782 53 P CB 1.042 32.761 31.700 0.033 0.000 0.851 54 V N 4.912 124.837 119.914 0.019 0.000 3.263 54 V HA 0.044 4.165 4.120 0.001 0.000 0.208 54 V C 2.135 178.358 176.094 0.216 0.000 1.184 54 V CA 0.339 62.731 62.300 0.153 0.000 1.341 54 V CB -0.952 30.889 31.823 0.029 0.000 1.238 54 V HN 0.357 nan 8.190 nan 0.000 0.504 55 I N 0.717 121.345 120.570 0.097 0.000 2.394 55 I HA -0.046 4.124 4.170 0.001 0.000 0.251 55 I C 1.327 177.354 176.117 -0.150 0.000 1.136 55 I CA 0.933 62.191 61.300 -0.070 0.000 1.425 55 I CB -0.214 37.767 38.000 -0.031 0.000 1.079 55 I HN 0.348 nan 8.210 nan 0.000 0.425 56 A N 0.926 123.616 122.820 -0.216 0.000 2.316 56 A HA 0.206 4.526 4.320 0.001 0.000 0.284 56 A C 1.083 178.490 177.584 -0.296 0.000 1.115 56 A CA -0.394 51.453 52.037 -0.317 0.000 0.812 56 A CB 0.405 19.087 19.000 -0.531 0.000 1.064 56 A HN 0.440 nan 8.150 nan 0.000 0.489 57 E N 0.918 121.041 120.200 -0.128 0.000 2.389 57 E HA 0.166 4.516 4.350 0.001 0.000 0.199 57 E C 0.463 177.077 176.600 0.024 0.000 0.978 57 E CA 0.158 56.523 56.400 -0.059 0.000 0.912 57 E CB 0.146 29.822 29.700 -0.040 0.000 0.907 57 E HN 0.734 nan 8.360 nan 0.000 0.494 58 R N -0.495 120.082 120.500 0.128 0.000 2.741 58 R HA 0.363 4.704 4.340 0.001 0.000 0.276 58 R C -1.698 174.843 176.300 0.402 0.000 1.028 58 R CA -1.060 55.153 56.100 0.187 0.000 0.865 58 R CB 0.437 30.693 30.300 -0.074 0.000 1.268 58 R HN 0.076 nan 8.270 nan 0.000 0.475 59 Y N -1.258 119.199 120.300 0.262 0.000 2.602 59 Y HA 0.788 5.339 4.550 0.001 0.000 0.342 59 Y C -1.110 174.841 175.900 0.085 0.000 1.029 59 Y CA -1.237 56.952 58.100 0.148 0.000 1.080 59 Y CB 2.162 40.495 38.460 -0.211 0.000 1.284 59 Y HN 0.901 nan 8.280 nan 0.000 0.485 60 E N 1.565 121.959 120.200 0.324 0.000 2.287 60 E HA 0.380 4.730 4.350 0.001 0.000 0.274 60 E C -2.159 174.536 176.600 0.159 0.000 0.896 60 E CA -0.714 55.830 56.400 0.239 0.000 0.788 60 E CB 1.184 31.022 29.700 0.230 0.000 1.244 60 E HN 0.601 nan 8.360 nan 0.000 0.408 61 F N 3.853 123.951 119.950 0.247 0.000 2.472 61 F HA 0.077 4.605 4.527 0.001 0.000 0.364 61 F C 1.319 177.215 175.800 0.160 0.000 1.090 61 F CA -0.150 57.960 58.000 0.183 0.000 1.188 61 F CB 1.081 40.168 39.000 0.144 0.000 1.105 61 F HN 0.386 nan 8.300 nan 0.000 0.536 62 V N 1.746 121.841 119.914 0.301 0.000 2.407 62 V HA -0.132 3.989 4.120 0.001 0.000 0.245 62 V C 0.346 176.572 176.094 0.221 0.000 1.041 62 V CA 1.800 64.236 62.300 0.225 0.000 1.040 62 V CB -0.554 31.379 31.823 0.185 0.000 0.671 62 V HN 0.876 nan 8.190 nan 0.000 0.455 63 D N -2.126 118.434 120.400 0.266 0.000 2.812 63 D HA 0.101 4.742 4.640 0.001 0.000 0.318 63 D C 0.393 176.873 176.300 0.300 0.000 1.234 63 D CA 0.049 54.181 54.000 0.221 0.000 0.989 63 D CB -0.092 40.795 40.800 0.145 0.000 1.442 63 D HN 0.069 nan 8.370 nan 0.000 0.537 64 D N -0.524 119.992 120.400 0.192 0.000 2.350 64 D HA -0.135 4.505 4.640 0.001 0.000 0.216 64 D C 0.612 177.153 176.300 0.401 0.000 0.968 64 D CA 0.750 54.873 54.000 0.204 0.000 0.894 64 D CB 0.053 40.923 40.800 0.117 0.000 0.909 64 D HN 0.409 nan 8.370 nan 0.000 0.520 65 K N -0.532 120.005 120.400 0.228 0.000 2.387 65 K HA 0.159 4.480 4.320 0.001 0.000 0.203 65 K C -0.366 176.194 176.600 -0.067 0.000 1.030 65 K CA 0.012 56.233 56.287 -0.110 0.000 1.099 65 K CB 1.358 33.748 32.500 -0.184 0.000 0.863 65 K HN -0.060 nan 8.250 nan 0.000 0.529 66 T N 1.559 116.312 114.554 0.332 0.000 2.965 66 T HA 0.324 4.674 4.350 0.001 0.000 0.306 66 T C -1.590 173.339 174.700 0.381 0.000 0.991 66 T CA -0.614 61.679 62.100 0.321 0.000 1.001 66 T CB 1.346 70.331 68.868 0.195 0.000 0.984 66 T HN -0.069 nan 8.240 nan 0.000 0.446 67 L N 3.693 125.118 121.223 0.337 0.000 2.333 67 L HA 0.637 4.977 4.340 0.001 0.000 0.280 67 L C -0.434 176.446 176.870 0.017 0.000 1.004 67 L CA -0.522 54.295 54.840 -0.038 0.000 0.820 67 L CB 1.134 42.932 42.059 -0.436 0.000 1.247 67 L HN 0.483 nan 8.230 nan 0.000 0.416 68 R N 5.457 125.940 120.500 -0.028 0.000 2.368 68 R HA 0.656 4.997 4.340 0.001 0.000 0.302 68 R C -1.018 175.204 176.300 -0.130 0.000 1.002 68 R CA -0.609 55.428 56.100 -0.105 0.000 0.929 68 R CB 1.548 31.752 30.300 -0.160 0.000 1.073 68 R HN 0.609 nan 8.270 nan 0.000 0.464 69 I N 3.144 123.569 120.570 -0.241 0.000 2.436 69 I HA 0.256 4.427 4.170 0.001 0.000 0.289 69 I C -1.022 174.884 176.117 -0.351 0.000 1.010 69 I CA -0.885 60.355 61.300 -0.099 0.000 1.098 69 I CB 1.455 39.457 38.000 0.004 0.000 1.266 69 I HN 0.460 nan 8.210 nan 0.000 0.434 70 Y N 6.344 126.632 120.300 -0.019 0.000 2.385 70 Y HA 0.449 4.999 4.550 0.001 0.000 0.341 70 Y C 0.343 176.179 175.900 -0.107 0.000 0.965 70 Y CA -0.607 57.456 58.100 -0.063 0.000 1.180 70 Y CB 0.743 39.177 38.460 -0.043 0.000 1.139 70 Y HN 0.337 nan 8.280 nan 0.000 0.502 71 I N 4.420 124.955 120.570 -0.059 0.000 2.588 71 I HA 0.138 4.308 4.170 0.001 0.000 0.283 71 I C 0.538 176.595 176.117 -0.101 0.000 1.119 71 I CA -0.343 60.894 61.300 -0.106 0.000 1.419 71 I CB 0.418 38.356 38.000 -0.102 0.000 1.394 71 I HN 0.474 nan 8.210 nan 0.000 0.562 72 R N 6.835 127.237 120.500 -0.164 0.000 2.585 72 R HA 0.008 4.349 4.340 0.001 0.000 0.275 72 R C -1.554 174.636 176.300 -0.183 0.000 1.018 72 R CA -1.031 54.973 56.100 -0.160 0.000 1.072 72 R CB -0.033 30.159 30.300 -0.180 0.000 0.953 72 R HN 0.391 nan 8.270 nan 0.000 0.419 73 P HA -0.166 nan 4.420 nan 0.000 0.218 73 P C 0.213 177.429 177.300 -0.139 0.000 1.148 73 P CA 1.279 64.315 63.100 -0.107 0.000 0.822 73 P CB 0.304 31.964 31.700 -0.067 0.000 0.784 74 E N -0.549 119.567 120.200 -0.140 0.000 2.358 74 E HA 0.092 4.443 4.350 0.001 0.000 0.195 74 E C 0.895 177.331 176.600 -0.273 0.000 1.010 74 E CA 0.143 56.481 56.400 -0.104 0.000 0.856 74 E CB -0.647 29.072 29.700 0.032 0.000 0.795 74 E HN 0.140 nan 8.360 nan 0.000 0.504 75 A N 1.776 124.208 122.820 -0.646 0.000 2.491 75 A HA 0.287 4.607 4.320 0.001 0.000 0.261 75 A C 0.096 177.146 177.584 -0.890 0.000 1.101 75 A CA 0.197 51.408 52.037 -1.376 0.000 0.772 75 A CB -0.015 18.173 19.000 -1.353 0.000 1.043 75 A HN 0.100 nan 8.150 nan 0.000 0.501 76 R N 2.420 122.388 120.500 -0.887 0.000 2.548 76 R HA 0.331 4.672 4.340 0.001 0.000 0.280 76 R C -1.437 174.743 176.300 -0.200 0.000 1.061 76 R CA -0.698 55.174 56.100 -0.380 0.000 0.915 76 R CB 1.013 31.253 30.300 -0.100 0.000 1.210 76 R HN 0.814 nan 8.270 nan 0.000 0.442 77 W N 1.886 123.214 121.300 0.047 0.000 2.089 77 W HA -0.033 4.627 4.660 0.001 0.000 0.355 77 W C 1.739 178.373 176.519 0.191 0.000 1.305 77 W CA 0.281 57.726 57.345 0.166 0.000 1.281 77 W CB 0.570 30.161 29.460 0.218 0.000 1.183 77 W HN 0.698 nan 8.180 nan 0.000 0.604 78 S N -0.340 115.659 115.700 0.498 0.000 2.507 78 S HA -0.223 4.248 4.470 0.001 0.000 0.235 78 S C 0.992 175.746 174.600 0.256 0.000 0.988 78 S CA 1.297 59.694 58.200 0.330 0.000 0.944 78 S CB -0.439 62.924 63.200 0.271 0.000 0.762 78 S HN 0.632 nan 8.310 nan 0.000 0.526 79 D N -0.066 120.508 120.400 0.290 0.000 2.339 79 D HA 0.275 4.916 4.640 0.001 0.000 0.217 79 D C 1.414 177.820 176.300 0.177 0.000 1.050 79 D CA 0.581 54.710 54.000 0.215 0.000 0.856 79 D CB -0.439 40.495 40.800 0.224 0.000 0.922 79 D HN 0.538 nan 8.370 nan 0.000 0.518 80 G N -0.466 108.449 108.800 0.192 0.000 2.213 80 G HA2 -0.244 3.716 3.960 0.001 0.000 0.226 80 G HA3 -0.244 3.716 3.960 0.001 0.000 0.226 80 G C 0.139 175.097 174.900 0.097 0.000 0.992 80 G CA 0.040 45.214 45.100 0.123 0.000 0.632 80 G HN 0.353 nan 8.290 nan 0.000 0.511 81 V N 2.922 122.916 119.914 0.133 0.000 2.508 81 V HA 0.365 4.485 4.120 0.001 0.000 0.281 81 V C -1.401 174.769 176.094 0.127 0.000 1.041 81 V CA -1.096 61.232 62.300 0.047 0.000 1.016 81 V CB 1.126 32.807 31.823 -0.236 0.000 0.984 81 V HN 0.122 nan 8.190 nan 0.000 0.478 82 P HA 0.053 nan 4.420 nan 0.000 0.264 82 P C -0.159 177.105 177.300 -0.060 0.000 1.183 82 P CA 0.289 63.352 63.100 -0.061 0.000 0.763 82 P CB 0.313 31.981 31.700 -0.054 0.000 0.807 83 I N 2.802 123.168 120.570 -0.339 0.000 2.452 83 I HA 0.149 4.319 4.170 0.001 0.000 0.287 83 I C 1.145 177.207 176.117 -0.091 0.000 1.079 83 I CA 0.369 61.440 61.300 -0.381 0.000 1.387 83 I CB 0.347 37.863 38.000 -0.806 0.000 1.404 83 I HN 0.389 nan 8.210 nan 0.000 0.522 84 T N 1.999 116.612 114.554 0.099 0.000 2.888 84 T HA 0.572 4.922 4.350 0.001 0.000 0.288 84 T C 0.875 175.712 174.700 0.229 0.000 1.063 84 T CA -0.334 61.833 62.100 0.111 0.000 1.010 84 T CB 1.814 70.732 68.868 0.084 0.000 1.214 84 T HN 0.493 nan 8.240 nan 0.000 0.533 85 A N 0.422 123.328 122.820 0.144 0.000 1.972 85 A HA -0.053 4.267 4.320 0.001 0.000 0.219 85 A C 1.864 179.565 177.584 0.195 0.000 1.169 85 A CA 1.726 53.853 52.037 0.149 0.000 0.635 85 A CB -1.167 17.826 19.000 -0.011 0.000 0.810 85 A HN 0.879 nan 8.150 nan 0.000 0.446 86 D N 0.445 120.932 120.400 0.144 0.000 2.182 86 D HA -0.137 4.503 4.640 0.001 0.000 0.201 86 D C 1.190 177.611 176.300 0.203 0.000 0.986 86 D CA 1.319 55.403 54.000 0.139 0.000 0.847 86 D CB -0.319 40.540 40.800 0.099 0.000 0.942 86 D HN 0.432 nan 8.370 nan 0.000 0.467 87 D N -0.508 120.040 120.400 0.247 0.000 2.144 87 D HA -0.099 4.542 4.640 0.001 0.000 0.200 87 D C 2.006 178.412 176.300 0.178 0.000 0.978 87 D CA 0.461 54.613 54.000 0.252 0.000 0.833 87 D CB -0.311 40.710 40.800 0.368 0.000 0.961 87 D HN 0.264 nan 8.370 nan 0.000 0.470 88 F N 0.834 120.870 119.950 0.144 0.000 2.113 88 F HA -0.153 4.374 4.527 0.001 0.000 0.297 88 F C 2.583 178.383 175.800 -0.001 0.000 1.103 88 F CA 0.538 58.593 58.000 0.092 0.000 1.248 88 F CB -0.658 38.381 39.000 0.064 0.000 0.999 88 F HN -0.197 nan 8.300 nan 0.000 0.475 89 V N -0.664 119.346 119.914 0.160 0.000 2.287 89 V HA -0.360 3.761 4.120 0.001 0.000 0.248 89 V C 2.036 178.146 176.094 0.027 0.000 1.053 89 V CA 2.116 64.425 62.300 0.015 0.000 1.027 89 V CB -0.968 30.873 31.823 0.029 0.000 0.646 89 V HN 0.396 nan 8.190 nan 0.000 0.447 90 Y N 1.235 121.532 120.300 -0.005 0.000 2.128 90 Y HA -0.255 4.296 4.550 0.001 0.000 0.284 90 Y C 2.400 178.267 175.900 -0.055 0.000 1.154 90 Y CA 1.728 59.811 58.100 -0.028 0.000 1.149 90 Y CB -0.539 37.908 38.460 -0.022 0.000 0.976 90 Y HN 0.157 nan 8.280 nan 0.000 0.505 91 A N 0.074 122.934 122.820 0.066 0.000 1.902 91 A HA -0.168 4.152 4.320 0.001 0.000 0.217 91 A C 2.258 179.825 177.584 -0.027 0.000 1.181 91 A CA 1.970 54.029 52.037 0.037 0.000 0.623 91 A CB -1.098 17.946 19.000 0.074 0.000 0.818 91 A HN 0.551 nan 8.150 nan 0.000 0.443 92 L N -0.822 120.301 121.223 -0.168 0.000 2.109 92 L HA -0.101 4.239 4.340 0.001 0.000 0.207 92 L C 2.571 179.404 176.870 -0.062 0.000 1.086 92 L CA 0.961 55.550 54.840 -0.418 0.000 0.760 92 L CB -0.487 40.848 42.059 -1.206 0.000 0.910 92 L HN 0.323 nan 8.230 nan 0.000 0.437 93 E N 0.129 120.290 120.200 -0.066 0.000 2.106 93 E HA -0.216 4.135 4.350 0.001 0.000 0.192 93 E C 2.145 178.747 176.600 0.004 0.000 0.984 93 E CA 1.028 57.492 56.400 0.108 0.000 0.806 93 E CB -0.206 29.498 29.700 0.007 0.000 0.750 93 E HN 0.276 nan 8.360 nan 0.000 0.458 94 L N 1.161 122.251 121.223 -0.223 0.000 2.056 94 L HA -0.107 4.233 4.340 0.001 0.000 0.207 94 L C 2.205 179.095 176.870 0.034 0.000 1.078 94 L CA 1.774 56.434 54.840 -0.300 0.000 0.749 94 L CB -0.852 40.750 42.059 -0.761 0.000 0.901 94 L HN 0.005 nan 8.230 nan 0.000 0.433 95 T N -0.366 114.349 114.554 0.269 0.000 2.720 95 T HA -0.267 4.084 4.350 0.001 0.000 0.268 95 T C 1.889 176.767 174.700 0.298 0.000 1.037 95 T CA 1.880 64.208 62.100 0.380 0.000 1.144 95 T CB -0.216 68.882 68.868 0.383 0.000 0.864 95 T HN 0.347 nan 8.240 nan 0.000 0.444 96 K N 0.913 121.525 120.400 0.353 0.000 2.057 96 K HA -0.156 4.165 4.320 0.001 0.000 0.207 96 K C 2.395 179.055 176.600 0.099 0.000 1.049 96 K CA 1.599 58.005 56.287 0.198 0.000 0.931 96 K CB -0.111 32.516 32.500 0.211 0.000 0.714 96 K HN 0.439 nan 8.250 nan 0.000 0.440 97 E N 0.562 120.814 120.200 0.086 0.000 2.051 97 E HA -0.187 4.164 4.350 0.001 0.000 0.192 97 E C 1.960 178.588 176.600 0.047 0.000 0.991 97 E CA 1.144 57.567 56.400 0.037 0.000 0.799 97 E CB -0.008 29.688 29.700 -0.006 0.000 0.748 97 E HN 0.370 nan 8.360 nan 0.000 0.449 98 L N -0.691 120.578 121.223 0.077 0.000 2.341 98 L HA 0.133 4.474 4.340 0.001 0.000 0.214 98 L C 1.656 178.596 176.870 0.117 0.000 1.115 98 L CA 0.550 55.451 54.840 0.103 0.000 0.820 98 L CB -0.065 42.086 42.059 0.153 0.000 0.944 98 L HN 0.487 nan 8.230 nan 0.000 0.452 99 G N 1.298 110.170 108.800 0.119 0.000 2.143 99 G HA2 -0.307 3.653 3.960 0.001 0.000 0.248 99 G HA3 -0.307 3.653 3.960 0.001 0.000 0.248 99 G C -0.070 174.914 174.900 0.140 0.000 0.991 99 G CA 0.648 45.810 45.100 0.103 0.000 0.689 99 G HN 0.368 nan 8.290 nan 0.000 0.522 100 I N -1.552 119.134 120.570 0.193 0.000 2.947 100 I HA 0.636 4.807 4.170 0.001 0.000 0.301 100 I C 0.160 176.414 176.117 0.228 0.000 1.453 100 I CA 0.385 61.816 61.300 0.217 0.000 0.984 100 I CB 1.943 40.079 38.000 0.227 0.000 1.333 100 I HN 1.658 nan 8.210 nan 0.000 0.475 101 G N 4.572 113.432 108.800 0.101 0.000 2.408 101 G HA2 0.045 4.006 3.960 0.001 0.000 0.682 101 G HA3 0.045 4.006 3.960 0.001 0.000 0.682 101 G C -3.275 171.556 174.900 -0.116 0.000 1.303 101 G CA -0.774 44.182 45.100 -0.240 0.000 0.966 101 G HN 0.483 nan 8.290 nan 0.000 0.560 102 P HA 0.410 nan 4.420 nan 0.000 0.268 102 P C 0.958 178.345 177.300 0.145 0.000 1.205 102 P CA 1.703 64.784 63.100 -0.032 0.000 0.771 102 P CB 0.889 32.527 31.700 -0.103 0.000 0.858 103 G N 1.662 110.628 108.800 0.277 0.000 2.149 103 G HA2 -0.150 3.811 3.960 0.001 0.000 0.235 103 G HA3 -0.150 3.811 3.960 0.001 0.000 0.235 103 G C 0.544 175.796 174.900 0.586 0.000 1.018 103 G CA -0.281 45.102 45.100 0.472 0.000 0.728 103 G HN 0.887 nan 8.290 nan 0.000 0.508 104 G N -1.071 108.001 108.800 0.453 0.000 2.305 104 G HA2 0.506 4.466 3.960 0.001 0.000 0.243 104 G HA3 0.506 4.466 3.960 0.001 0.000 0.243 104 G C 1.493 176.633 174.900 0.400 0.000 1.288 104 G CA 1.557 46.883 45.100 0.377 0.000 0.901 104 G HN 1.947 nan 8.290 nan 0.000 0.516 105 G N 2.171 111.083 108.800 0.188 0.000 2.175 105 G HA2 -0.294 3.667 3.960 0.001 0.000 0.244 105 G HA3 -0.294 3.667 3.960 0.001 0.000 0.244 105 G C 1.258 176.031 174.900 -0.212 0.000 0.982 105 G CA 0.947 46.095 45.100 0.081 0.000 0.641 105 G HN 1.278 nan 8.290 nan 0.000 0.527 106 W N 2.316 123.260 121.300 -0.593 0.000 2.321 106 W HA -0.127 4.534 4.660 0.001 0.000 0.306 106 W C 1.286 177.557 176.519 -0.412 0.000 1.217 106 W CA 2.038 58.698 57.345 -1.143 0.000 1.257 106 W CB -1.062 28.015 29.460 -0.638 0.000 1.145 106 W HN 0.484 nan 8.180 nan 0.000 0.509 107 D N 0.047 119.720 120.400 -1.212 0.000 2.378 107 D HA -0.090 4.550 4.640 0.001 0.000 0.227 107 D C 1.632 177.611 176.300 -0.535 0.000 1.012 107 D CA 1.469 54.779 54.000 -1.149 0.000 0.905 107 D CB -0.684 39.242 40.800 -1.456 0.000 0.895 107 D HN 0.026 nan 8.370 nan 0.000 0.532 108 T N -0.893 113.404 114.554 -0.428 0.000 2.896 108 T HA -0.052 4.299 4.350 0.001 0.000 0.263 108 T C 0.531 174.944 174.700 -0.478 0.000 1.050 108 T CA 0.844 62.681 62.100 -0.438 0.000 1.140 108 T CB -0.174 68.414 68.868 -0.468 0.000 0.877 108 T HN 0.229 nan 8.240 nan 0.000 0.457 109 Y N -0.290 120.019 120.300 0.015 0.000 2.453 109 Y HA 0.436 4.987 4.550 0.001 0.000 0.247 109 Y C 0.276 176.242 175.900 0.109 0.000 1.124 109 Y CA -0.938 57.220 58.100 0.097 0.000 1.243 109 Y CB 0.780 39.385 38.460 0.241 0.000 1.213 109 Y HN 0.056 nan 8.280 nan 0.000 0.523 110 I N 0.714 121.416 120.570 0.219 0.000 2.389 110 I HA 0.179 4.350 4.170 0.001 0.000 0.288 110 I C 1.072 177.280 176.117 0.152 0.000 0.999 110 I CA -0.499 60.969 61.300 0.280 0.000 1.129 110 I CB 1.878 40.215 38.000 0.560 0.000 1.288 110 I HN 0.059 nan 8.210 nan 0.000 0.444 111 E N 6.964 127.195 120.200 0.052 0.000 2.047 111 E HA -0.112 4.239 4.350 0.001 0.000 0.191 111 E C -0.524 176.193 176.600 0.195 0.000 0.987 111 E CA 1.712 58.135 56.400 0.037 0.000 0.799 111 E CB 0.214 29.887 29.700 -0.044 0.000 0.752 111 E HN 0.576 nan 8.360 nan 0.000 0.449 112 Y N -3.726 116.708 120.300 0.223 0.000 2.656 112 Y HA 0.616 5.167 4.550 0.001 0.000 0.334 112 Y C -1.452 174.547 175.900 0.165 0.000 1.179 112 Y CA -1.607 56.631 58.100 0.229 0.000 1.050 112 Y CB 1.144 39.671 38.460 0.111 0.000 1.308 112 Y HN -0.210 nan 8.280 nan 0.000 0.456 113 V N 2.724 122.829 119.914 0.319 0.000 2.588 113 V HA 0.666 4.787 4.120 0.001 0.000 0.304 113 V C -1.383 174.703 176.094 -0.015 0.000 1.042 113 V CA -0.603 61.630 62.300 -0.111 0.000 0.877 113 V CB 1.573 33.099 31.823 -0.494 0.000 0.996 113 V HN 0.920 nan 8.190 nan 0.000 0.425 114 K N 5.395 125.755 120.400 -0.066 0.000 2.501 114 K HA 0.788 5.109 4.320 0.001 0.000 0.252 114 K C -0.833 175.703 176.600 -0.106 0.000 0.934 114 K CA -0.445 55.803 56.287 -0.065 0.000 0.797 114 K CB 2.174 34.614 32.500 -0.099 0.000 1.270 114 K HN 0.865 nan 8.250 nan 0.000 0.431 115 A N 3.915 126.689 122.820 -0.078 0.000 2.437 115 A HA 0.247 4.568 4.320 0.001 0.000 0.303 115 A C 0.872 178.418 177.584 -0.064 0.000 1.324 115 A CA -0.455 51.542 52.037 -0.067 0.000 0.983 115 A CB -0.302 18.684 19.000 -0.024 0.000 1.142 115 A HN 0.647 nan 8.150 nan 0.000 0.541 116 V N -0.557 119.311 119.914 -0.076 0.000 3.235 116 V HA 0.176 4.297 4.120 0.001 0.000 0.259 116 V C 0.471 176.540 176.094 -0.042 0.000 1.133 116 V CA 1.142 63.409 62.300 -0.055 0.000 1.128 116 V CB -0.440 31.355 31.823 -0.045 0.000 0.757 116 V HN 0.733 nan 8.190 nan 0.000 0.469 117 D N -1.534 118.835 120.400 -0.052 0.000 2.665 117 D HA 0.213 4.853 4.640 0.001 0.000 0.287 117 D C 0.643 176.924 176.300 -0.032 0.000 1.266 117 D CA 0.298 54.279 54.000 -0.031 0.000 0.830 117 D CB 1.986 42.777 40.800 -0.015 0.000 1.356 117 D HN -0.042 nan 8.370 nan 0.000 0.437 118 T N 0.381 114.924 114.554 -0.018 0.000 2.699 118 T HA -0.120 4.231 4.350 0.001 0.000 0.268 118 T C 1.198 175.886 174.700 -0.019 0.000 1.036 118 T CA 1.176 63.268 62.100 -0.012 0.000 1.147 118 T CB 0.087 68.949 68.868 -0.010 0.000 0.862 118 T HN 0.149 nan 8.240 nan 0.000 0.446 119 K N 0.981 121.361 120.400 -0.032 0.000 2.514 119 K HA 0.359 4.680 4.320 0.001 0.000 0.207 119 K C -0.817 175.721 176.600 -0.104 0.000 1.035 119 K CA 0.063 56.321 56.287 -0.049 0.000 1.113 119 K CB 1.169 33.649 32.500 -0.032 0.000 0.846 119 K HN 0.180 nan 8.250 nan 0.000 0.491 120 V N 1.602 121.427 119.914 -0.148 0.000 2.482 120 V HA 0.306 4.427 4.120 0.001 0.000 0.295 120 V C -0.150 175.780 176.094 -0.272 0.000 1.026 120 V CA -1.032 61.088 62.300 -0.301 0.000 0.856 120 V CB 2.069 33.704 31.823 -0.313 0.000 1.001 120 V HN -0.184 nan 8.190 nan 0.000 0.424 121 V N 3.545 123.255 119.914 -0.341 0.000 2.532 121 V HA 0.543 4.664 4.120 0.001 0.000 0.295 121 V C -0.044 175.896 176.094 -0.256 0.000 1.041 121 V CA -0.567 61.545 62.300 -0.314 0.000 0.926 121 V CB 1.851 33.421 31.823 -0.422 0.000 0.992 121 V HN 0.967 nan 8.190 nan 0.000 0.457 122 E N 2.535 122.601 120.200 -0.223 0.000 2.210 122 E HA 0.575 4.926 4.350 0.001 0.000 0.266 122 E C -1.899 174.624 176.600 -0.128 0.000 0.883 122 E CA -0.560 55.805 56.400 -0.058 0.000 0.761 122 E CB 1.425 31.174 29.700 0.081 0.000 1.156 122 E HN 0.535 nan 8.360 nan 0.000 0.412 123 F N 3.035 123.018 119.950 0.054 0.000 2.482 123 F HA 0.391 4.918 4.527 0.001 0.000 0.331 123 F C 0.034 175.878 175.800 0.073 0.000 1.115 123 F CA -0.900 57.149 58.000 0.081 0.000 0.955 123 F CB 1.749 40.821 39.000 0.119 0.000 1.136 123 F HN 0.249 nan 8.300 nan 0.000 0.452 124 K N 2.668 123.000 120.400 -0.113 0.000 2.323 124 K HA 0.779 5.100 4.320 0.001 0.000 0.259 124 K C -0.835 175.619 176.600 -0.243 0.000 0.947 124 K CA -0.450 55.638 56.287 -0.332 0.000 0.819 124 K CB 1.506 33.407 32.500 -0.998 0.000 1.109 124 K HN 0.665 nan 8.250 nan 0.000 0.429 125 A N 4.081 126.566 122.820 -0.558 0.000 2.462 125 A HA 0.203 4.524 4.320 0.001 0.000 0.243 125 A C -0.377 177.042 177.584 -0.275 0.000 1.076 125 A CA -0.176 51.518 52.037 -0.572 0.000 0.773 125 A CB 0.057 18.384 19.000 -1.122 0.000 1.010 125 A HN 0.788 nan 8.150 nan 0.000 0.493 126 K N 1.031 121.359 120.400 -0.121 0.000 2.383 126 K HA 0.139 4.460 4.320 0.001 0.000 0.286 126 K C 1.059 177.600 176.600 -0.098 0.000 1.051 126 K CA 0.284 56.526 56.287 -0.075 0.000 0.974 126 K CB 0.644 33.128 32.500 -0.026 0.000 0.968 126 K HN 0.752 nan 8.250 nan 0.000 0.475 127 E N 3.146 123.290 120.200 -0.094 0.000 2.122 127 E HA -0.114 4.237 4.350 0.001 0.000 0.190 127 E C 0.894 177.455 176.600 -0.065 0.000 0.977 127 E CA 1.433 57.775 56.400 -0.097 0.000 0.820 127 E CB 0.033 29.689 29.700 -0.074 0.000 0.770 127 E HN 0.717 nan 8.360 nan 0.000 0.462 128 E N 1.916 122.088 120.200 -0.045 0.000 2.097 128 E HA -0.166 4.185 4.350 0.001 0.000 0.196 128 E C 1.087 177.676 176.600 -0.018 0.000 1.000 128 E CA 1.617 57.997 56.400 -0.033 0.000 0.804 128 E CB -0.204 29.474 29.700 -0.036 0.000 0.740 128 E HN 0.571 nan 8.360 nan 0.000 0.454 129 N N 0.673 119.374 118.700 0.002 0.000 2.660 129 N HA 0.091 4.831 4.740 0.001 0.000 0.316 129 N C -0.668 174.911 175.510 0.114 0.000 1.774 129 N CA -0.466 52.626 53.050 0.069 0.000 0.946 129 N CB 0.040 38.584 38.487 0.094 0.000 1.322 129 N HN 0.008 nan 8.380 nan 0.000 0.492 130 L N 1.156 122.361 121.223 -0.030 0.000 2.640 130 L HA 0.141 4.482 4.340 0.001 0.000 0.280 130 L C -0.200 176.548 176.870 -0.202 0.000 1.229 130 L CA 0.818 55.556 54.840 -0.170 0.000 0.919 130 L CB -0.070 41.809 42.059 -0.299 0.000 1.168 130 L HN 0.464 nan 8.230 nan 0.000 0.496 131 N N 4.231 122.776 118.700 -0.259 0.000 2.581 131 N HA 0.081 4.821 4.740 0.001 0.000 0.279 131 N C 0.117 175.490 175.510 -0.228 0.000 1.124 131 N CA -0.385 52.443 53.050 -0.371 0.000 0.833 131 N CB 0.534 38.572 38.487 -0.750 0.000 1.338 131 N HN 0.555 nan 8.380 nan 0.000 0.533 132 Y N 2.106 122.364 120.300 -0.070 0.000 2.293 132 Y HA -0.057 4.494 4.550 0.001 0.000 0.291 132 Y C 1.661 177.772 175.900 0.352 0.000 1.137 132 Y CA 1.126 59.339 58.100 0.188 0.000 1.202 132 Y CB -0.067 38.507 38.460 0.191 0.000 0.990 132 Y HN 0.487 nan 8.280 nan 0.000 0.537 133 F N 0.235 120.282 119.950 0.161 0.000 2.075 133 F HA -0.241 4.286 4.527 0.001 0.000 0.297 133 F C 2.356 178.204 175.800 0.079 0.000 1.113 133 F CA 1.212 59.290 58.000 0.130 0.000 1.218 133 F CB -1.214 37.632 39.000 -0.256 0.000 0.984 133 F HN 0.121 nan 8.300 nan 0.000 0.472 134 Q N -0.793 119.057 119.800 0.084 0.000 2.119 134 Q HA -0.193 4.147 4.340 0.001 0.000 0.201 134 Q C 2.285 178.510 176.000 0.375 0.000 0.972 134 Q CA 1.070 56.962 55.803 0.147 0.000 0.847 134 Q CB -1.017 27.725 28.738 0.006 0.000 0.903 134 Q HN 0.373 nan 8.270 nan 0.000 0.433 135 F N 1.761 121.814 119.950 0.172 0.000 2.065 135 F HA -0.233 4.295 4.527 0.001 0.000 0.298 135 F C 1.955 177.799 175.800 0.073 0.000 1.112 135 F CA 1.371 59.471 58.000 0.167 0.000 1.212 135 F CB -0.572 38.501 39.000 0.122 0.000 0.975 135 F HN -0.029 nan 8.300 nan 0.000 0.476 136 L N -0.926 120.234 121.223 -0.105 0.000 2.072 136 L HA -0.187 4.154 4.340 0.001 0.000 0.205 136 L C 2.551 179.239 176.870 -0.302 0.000 1.079 136 L CA 1.294 55.871 54.840 -0.439 0.000 0.752 136 L CB -0.986 40.805 42.059 -0.446 0.000 0.906 136 L HN 0.064 nan 8.230 nan 0.000 0.436 137 S N -0.927 114.792 115.700 0.033 0.000 2.359 137 S HA -0.198 4.272 4.470 0.001 0.000 0.224 137 S C 1.890 176.483 174.600 -0.013 0.000 1.035 137 S CA 1.429 59.680 58.200 0.086 0.000 1.018 137 S CB -0.363 62.879 63.200 0.071 0.000 0.876 137 S HN 0.312 nan 8.310 nan 0.000 0.448 138 Y N 1.770 122.119 120.300 0.082 0.000 2.373 138 Y HA 0.034 4.585 4.550 0.001 0.000 0.293 138 Y C 2.731 178.499 175.900 -0.220 0.000 1.129 138 Y CA 0.541 58.692 58.100 0.085 0.000 1.226 138 Y CB -0.399 38.219 38.460 0.262 0.000 1.000 138 Y HN 0.185 nan 8.280 nan 0.000 0.549 139 S N -0.314 115.127 115.700 -0.431 0.000 2.339 139 S HA -0.039 4.432 4.470 0.001 0.000 0.213 139 S C 2.046 176.231 174.600 -0.691 0.000 1.033 139 S CA 0.664 58.112 58.200 -1.253 0.000 0.950 139 S CB -0.628 61.769 63.200 -1.339 0.000 0.893 139 S HN 0.271 nan 8.310 nan 0.000 0.492 140 L N 1.154 122.044 121.223 -0.554 0.000 2.079 140 L HA -0.061 4.280 4.340 0.001 0.000 0.210 140 L C 2.352 179.315 176.870 0.156 0.000 1.081 140 L CA 1.263 55.891 54.840 -0.354 0.000 0.752 140 L CB -0.730 40.757 42.059 -0.954 0.000 0.896 140 L HN 0.445 nan 8.230 nan 0.000 0.433 141 G N -0.598 108.299 108.800 0.163 0.000 3.141 141 G HA2 0.302 4.262 3.960 0.001 0.000 0.218 141 G HA3 0.302 4.262 3.960 0.001 0.000 0.218 141 G C 0.644 175.727 174.900 0.306 0.000 1.170 141 G CA 0.244 45.546 45.100 0.336 0.000 0.769 141 G HN 0.328 nan 8.290 nan 0.000 0.546 142 A N 0.320 123.310 122.820 0.283 0.000 2.540 142 A HA 0.407 4.728 4.320 0.001 0.000 0.239 142 A C 0.310 178.149 177.584 0.424 0.000 1.061 142 A CA 0.271 52.545 52.037 0.396 0.000 0.758 142 A CB 0.208 19.552 19.000 0.573 0.000 0.991 142 A HN 0.399 nan 8.150 nan 0.000 0.502 143 Q N 3.092 123.041 119.800 0.248 0.000 2.348 143 Q HA 0.348 4.688 4.340 0.001 0.000 0.265 143 Q C -2.455 173.480 176.000 -0.109 0.000 0.998 143 Q CA -1.895 53.968 55.803 0.099 0.000 0.831 143 Q CB 2.142 30.961 28.738 0.135 0.000 1.251 143 Q HN 0.606 nan 8.270 nan 0.000 0.456 144 P HA 0.214 nan 4.420 nan 0.000 0.274 144 P C -0.712 176.683 177.300 0.158 0.000 1.237 144 P CA -0.201 62.612 63.100 -0.477 0.000 0.793 144 P CB 0.947 32.071 31.700 -0.960 0.000 0.977 145 M N 1.228 120.965 119.600 0.229 0.000 2.572 145 M HA 0.355 4.836 4.480 0.001 0.000 0.299 145 M C -2.658 173.659 176.300 0.028 0.000 1.205 145 M CA -2.673 52.747 55.300 0.200 0.000 0.876 145 M CB 2.094 34.714 32.600 0.033 0.000 1.728 145 M HN 0.111 nan 8.290 nan 0.000 0.458 146 P HA 0.157 nan 4.420 nan 0.000 0.273 146 P C 0.270 177.319 177.300 -0.418 0.000 1.428 146 P CA 0.120 62.715 63.100 -0.841 0.000 0.995 146 P CB 0.392 31.270 31.700 -1.370 0.000 1.286 147 K N 4.414 124.615 120.400 -0.332 0.000 2.074 147 K HA -0.221 4.100 4.320 0.001 0.000 0.209 147 K C 1.868 178.180 176.600 -0.480 0.000 1.048 147 K CA 1.542 57.397 56.287 -0.720 0.000 0.926 147 K CB -0.310 31.866 32.500 -0.541 0.000 0.713 147 K HN 0.520 nan 8.250 nan 0.000 0.444 148 H N -0.708 118.164 119.070 -0.330 0.000 2.491 148 H HA -0.036 4.520 4.556 0.001 0.000 0.290 148 H C 1.855 177.040 175.328 -0.238 0.000 1.050 148 H CA 1.136 57.042 56.048 -0.236 0.000 1.309 148 H CB -0.474 29.195 29.762 -0.155 0.000 1.392 148 H HN 0.079 nan 8.280 nan 0.000 0.554 149 V N 0.622 120.046 119.914 -0.816 0.000 2.331 149 V HA -0.186 3.935 4.120 0.001 0.000 0.242 149 V C 2.222 177.992 176.094 -0.540 0.000 1.034 149 V CA 1.363 63.277 62.300 -0.644 0.000 1.027 149 V CB -0.859 30.586 31.823 -0.630 0.000 0.667 149 V HN 0.229 nan 8.190 nan 0.000 0.457 150 Y N 0.389 120.401 120.300 -0.478 0.000 2.293 150 Y HA -0.124 4.426 4.550 0.001 0.000 0.291 150 Y C 2.688 178.418 175.900 -0.283 0.000 1.137 150 Y CA 1.334 59.215 58.100 -0.363 0.000 1.202 150 Y CB 0.032 38.417 38.460 -0.124 0.000 0.990 150 Y HN 0.228 nan 8.280 nan 0.000 0.537 151 E N -0.209 119.892 120.200 -0.164 0.000 2.150 151 E HA -0.146 4.205 4.350 0.001 0.000 0.193 151 E C 2.215 178.731 176.600 -0.141 0.000 0.985 151 E CA 0.551 56.889 56.400 -0.102 0.000 0.814 151 E CB -0.058 29.569 29.700 -0.122 0.000 0.752 151 E HN 0.350 nan 8.360 nan 0.000 0.466 152 R N 0.587 120.957 120.500 -0.217 0.000 2.062 152 R HA -0.057 4.284 4.340 0.001 0.000 0.231 152 R C 2.297 178.427 176.300 -0.285 0.000 1.136 152 R CA 0.648 56.613 56.100 -0.225 0.000 0.948 152 R CB -0.542 29.610 30.300 -0.247 0.000 0.845 152 R HN 0.193 nan 8.270 nan 0.000 0.430 153 I N 0.608 120.899 120.570 -0.466 0.000 2.208 153 I HA -0.267 3.904 4.170 0.001 0.000 0.245 153 I C 2.472 178.404 176.117 -0.309 0.000 1.097 153 I CA 1.166 62.118 61.300 -0.580 0.000 1.363 153 I CB -0.969 36.346 38.000 -1.142 0.000 1.051 153 I HN 0.204 nan 8.210 nan 0.000 0.413 154 R N 1.234 121.611 120.500 -0.205 0.000 2.152 154 R HA -0.105 4.236 4.340 0.001 0.000 0.232 154 R C 2.133 178.393 176.300 -0.066 0.000 1.117 154 R CA 1.398 57.446 56.100 -0.086 0.000 0.981 154 R CB -0.043 30.244 30.300 -0.022 0.000 0.870 154 R HN 0.316 nan 8.270 nan 0.000 0.451 155 A N -0.098 122.671 122.820 -0.084 0.000 2.119 155 A HA -0.092 4.228 4.320 0.001 0.000 0.216 155 A C 1.857 179.406 177.584 -0.057 0.000 1.152 155 A CA 0.784 52.786 52.037 -0.059 0.000 0.708 155 A CB -0.104 18.860 19.000 -0.060 0.000 0.805 155 A HN 0.495 nan 8.150 nan 0.000 0.460 156 Q N -1.231 118.520 119.800 -0.083 0.000 2.394 156 Q HA 0.297 4.638 4.340 0.001 0.000 0.218 156 Q C 0.396 176.374 176.000 -0.036 0.000 0.907 156 Q CA 0.669 56.434 55.803 -0.064 0.000 0.919 156 Q CB 0.169 28.849 28.738 -0.097 0.000 1.051 156 Q HN 0.818 nan 8.270 nan 0.000 0.538 157 M N -2.113 117.463 119.600 -0.040 0.000 3.147 157 M HA 0.382 4.863 4.480 0.001 0.000 0.276 157 M C -1.293 175.017 176.300 0.016 0.000 1.211 157 M CA -1.109 54.194 55.300 0.004 0.000 0.820 157 M CB 0.760 33.382 32.600 0.036 0.000 1.621 157 M HN -0.292 nan 8.290 nan 0.000 0.507 158 N N 1.142 119.874 118.700 0.053 0.000 2.475 158 N HA 0.266 5.007 4.740 0.001 0.000 0.267 158 N C 0.438 176.019 175.510 0.117 0.000 1.169 158 N CA 0.118 53.212 53.050 0.073 0.000 0.947 158 N CB 0.712 39.247 38.487 0.081 0.000 1.061 158 N HN 0.819 nan 8.380 nan 0.000 0.466 159 I N 3.471 124.112 120.570 0.117 0.000 2.264 159 I HA -0.304 3.867 4.170 0.001 0.000 0.248 159 I C 1.899 178.201 176.117 0.308 0.000 1.111 159 I CA 1.213 62.633 61.300 0.201 0.000 1.382 159 I CB -0.032 38.078 38.000 0.184 0.000 1.060 159 I HN 0.552 nan 8.210 nan 0.000 0.418 160 K N 0.337 120.880 120.400 0.237 0.000 2.280 160 K HA -0.160 4.161 4.320 0.001 0.000 0.202 160 K C 1.061 177.797 176.600 0.227 0.000 1.047 160 K CA 1.079 57.511 56.287 0.243 0.000 0.942 160 K CB -0.101 32.511 32.500 0.186 0.000 0.739 160 K HN 0.336 nan 8.250 nan 0.000 0.457 161 D N -0.716 119.815 120.400 0.219 0.000 2.354 161 D HA -0.059 4.582 4.640 0.001 0.000 0.209 161 D C 0.035 176.493 176.300 0.262 0.000 1.015 161 D CA 0.139 54.259 54.000 0.199 0.000 0.867 161 D CB -0.026 40.867 40.800 0.156 0.000 0.933 161 D HN 0.144 nan 8.370 nan 0.000 0.520 162 W N 2.043 123.399 121.300 0.094 0.000 2.303 162 W HA 0.073 4.734 4.660 0.001 0.000 0.318 162 W C 0.795 177.384 176.519 0.116 0.000 1.362 162 W CA -0.557 56.836 57.345 0.080 0.000 1.234 162 W CB 0.475 29.957 29.460 0.037 0.000 1.248 162 W HN -0.213 nan 8.180 nan 0.000 0.546 163 I N 4.568 125.018 120.570 -0.199 0.000 2.703 163 I HA -0.143 4.028 4.170 0.001 0.000 0.259 163 I C 1.198 177.032 176.117 -0.471 0.000 1.151 163 I CA 0.679 61.855 61.300 -0.207 0.000 1.470 163 I CB -1.592 36.420 38.000 0.020 0.000 1.112 163 I HN 0.652 nan 8.210 nan 0.000 0.437 164 N N 2.752 120.785 118.700 -1.112 0.000 2.725 164 N HA -0.212 4.529 4.740 0.001 0.000 0.251 164 N C 0.129 175.476 175.510 -0.272 0.000 1.031 164 N CA 0.888 53.368 53.050 -0.951 0.000 0.720 164 N CB -0.949 36.720 38.487 -1.363 0.000 0.930 164 N HN 0.587 nan 8.380 nan 0.000 0.543 165 D N -1.359 118.956 120.400 -0.142 0.000 2.462 165 D HA 0.081 4.721 4.640 0.001 0.000 0.221 165 D C -0.413 175.793 176.300 -0.157 0.000 1.173 165 D CA -0.038 53.833 54.000 -0.214 0.000 0.831 165 D CB -0.053 40.777 40.800 0.049 0.000 1.001 165 D HN 0.385 nan 8.370 nan 0.000 0.499 166 K N 1.504 121.855 120.400 -0.081 0.000 2.268 166 K HA 0.265 4.586 4.320 0.001 0.000 0.276 166 K C -1.965 174.604 176.600 -0.051 0.000 1.080 166 K CA -1.769 54.498 56.287 -0.033 0.000 0.910 166 K CB 1.976 34.498 32.500 0.037 0.000 1.163 166 K HN -0.198 nan 8.250 nan 0.000 0.465 167 P HA -0.226 nan 4.420 nan 0.000 0.216 167 P C 0.735 178.048 177.300 0.021 0.000 1.153 167 P CA 1.266 64.342 63.100 -0.040 0.000 0.858 167 P CB 0.335 32.026 31.700 -0.016 0.000 0.789 168 E N -0.072 120.148 120.200 0.033 0.000 2.110 168 E HA -0.177 4.173 4.350 0.001 0.000 0.193 168 E C 1.765 178.401 176.600 0.060 0.000 0.988 168 E CA 1.162 57.593 56.400 0.052 0.000 0.804 168 E CB -0.610 29.118 29.700 0.047 0.000 0.745 168 E HN 0.514 nan 8.360 nan 0.000 0.458 169 E N 0.693 120.928 120.200 0.059 0.000 2.442 169 E HA -0.004 4.347 4.350 0.001 0.000 0.195 169 E C 0.370 177.029 176.600 0.099 0.000 1.030 169 E CA -0.129 56.319 56.400 0.080 0.000 0.869 169 E CB 0.154 29.913 29.700 0.098 0.000 0.857 169 E HN 0.281 nan 8.360 nan 0.000 0.505 170 Q N 1.299 121.146 119.800 0.079 0.000 2.300 170 Q HA 0.091 4.432 4.340 0.001 0.000 0.280 170 Q C -0.803 175.268 176.000 0.118 0.000 1.033 170 Q CA 0.239 56.097 55.803 0.091 0.000 0.903 170 Q CB 1.274 30.028 28.738 0.027 0.000 1.195 170 Q HN -0.048 nan 8.270 nan 0.000 0.386 171 V N 4.643 124.646 119.914 0.148 0.000 2.350 171 V HA 0.402 4.523 4.120 0.001 0.000 0.285 171 V C -0.132 176.112 176.094 0.251 0.000 1.014 171 V CA -0.585 61.817 62.300 0.169 0.000 0.831 171 V CB 1.332 33.179 31.823 0.040 0.000 1.000 171 V HN 0.583 nan 8.190 nan 0.000 0.433 172 V N 2.265 122.372 119.914 0.323 0.000 3.040 172 V HA 0.751 4.871 4.120 0.001 0.000 0.312 172 V C 0.559 176.982 176.094 0.548 0.000 1.115 172 V CA 0.119 62.579 62.300 0.266 0.000 0.998 172 V CB 2.158 33.957 31.823 -0.039 0.000 1.042 172 V HN 0.736 nan 8.190 nan 0.000 0.433 173 S N 0.744 116.723 115.700 0.466 0.000 2.511 173 S HA 0.423 4.894 4.470 0.001 0.000 0.214 173 S C 0.935 175.812 174.600 0.463 0.000 0.997 173 S CA 0.281 58.713 58.200 0.386 0.000 0.908 173 S CB 0.061 63.312 63.200 0.085 0.000 0.803 173 S HN 1.591 nan 8.310 nan 0.000 0.504 174 G N 2.130 111.009 108.800 0.131 0.000 2.537 174 G HA2 0.514 4.474 3.960 0.001 0.000 0.297 174 G HA3 0.514 4.474 3.960 0.001 0.000 0.297 174 G C -2.039 172.508 174.900 -0.588 0.000 1.310 174 G CA -1.575 43.416 45.100 -0.181 0.000 1.027 174 G HN 0.163 nan 8.290 nan 0.000 0.505 175 P HA 0.137 nan 4.420 nan 0.000 0.255 175 P C -0.930 175.775 177.300 -0.993 0.000 1.248 175 P CA 0.421 62.650 63.100 -1.450 0.000 0.807 175 P CB 0.139 30.790 31.700 -1.748 0.000 1.150 176 Y N 0.763 120.824 120.300 -0.399 0.000 2.545 176 Y HA 0.473 5.024 4.550 0.001 0.000 0.348 176 Y C 0.869 176.700 175.900 -0.114 0.000 1.002 176 Y CA -0.840 57.116 58.100 -0.239 0.000 1.039 176 Y CB 2.327 40.619 38.460 -0.280 0.000 1.271 176 Y HN -0.240 nan 8.280 nan 0.000 0.467 177 K N 0.742 121.250 120.400 0.180 0.000 2.466 177 K HA 0.643 4.964 4.320 0.001 0.000 0.260 177 K C -1.691 175.110 176.600 0.336 0.000 1.011 177 K CA -1.189 55.214 56.287 0.193 0.000 0.871 177 K CB 1.942 34.494 32.500 0.086 0.000 1.404 177 K HN 0.506 nan 8.250 nan 0.000 0.450 178 L N 1.676 122.988 121.223 0.148 0.000 2.490 178 L HA 0.022 4.363 4.340 0.001 0.000 0.274 178 L C 0.249 177.141 176.870 0.036 0.000 1.201 178 L CA 0.453 55.212 54.840 -0.135 0.000 0.869 178 L CB 0.180 41.844 42.059 -0.658 0.000 1.123 178 L HN 0.779 nan 8.230 nan 0.000 0.484 179 Y N 5.057 125.316 120.300 -0.068 0.000 2.594 179 Y HA 0.259 4.809 4.550 0.001 0.000 0.283 179 Y C -0.648 175.326 175.900 0.123 0.000 1.140 179 Y CA 0.258 58.404 58.100 0.077 0.000 1.261 179 Y CB 0.257 38.841 38.460 0.208 0.000 1.358 179 Y HN 0.618 nan 8.280 nan 0.000 0.513 180 Y N 0.853 121.080 120.300 -0.122 0.000 2.565 180 Y HA 0.450 5.000 4.550 0.001 0.000 0.330 180 Y C -2.014 173.913 175.900 0.043 0.000 1.150 180 Y CA -1.710 56.290 58.100 -0.167 0.000 1.055 180 Y CB 0.904 39.184 38.460 -0.300 0.000 1.337 180 Y HN 0.082 nan 8.280 nan 0.000 0.457 181 Y N 3.065 122.790 120.300 -0.959 0.000 2.581 181 Y HA 0.797 5.347 4.550 0.001 0.000 0.337 181 Y C -1.970 173.478 175.900 -0.752 0.000 1.108 181 Y CA -0.869 56.856 58.100 -0.625 0.000 1.033 181 Y CB 1.847 40.219 38.460 -0.148 0.000 1.318 181 Y HN 0.674 nan 8.280 nan 0.000 0.459 182 D N 1.093 121.266 120.400 -0.379 0.000 2.752 182 D HA 0.426 5.066 4.640 0.001 0.000 0.313 182 D C -2.717 173.578 176.300 -0.008 0.000 1.225 182 D CA -2.298 51.531 54.000 -0.286 0.000 0.976 182 D CB 1.089 41.793 40.800 -0.160 0.000 1.443 182 D HN 0.276 nan 8.370 nan 0.000 0.515 183 P HA 0.040 nan 4.420 nan 0.000 0.229 183 P C -0.169 177.163 177.300 0.053 0.000 1.150 183 P CA 1.107 64.239 63.100 0.053 0.000 0.765 183 P CB -0.059 31.662 31.700 0.035 0.000 0.783 184 N N -1.789 116.941 118.700 0.049 0.000 2.159 184 N HA 0.283 5.023 4.740 0.001 0.000 0.217 184 N C 0.118 175.649 175.510 0.034 0.000 1.223 184 N CA -0.137 52.927 53.050 0.024 0.000 0.896 184 N CB 1.117 39.613 38.487 0.014 0.000 1.064 184 N HN 0.074 nan 8.380 nan 0.000 0.518 185 I N 0.259 120.891 120.570 0.103 0.000 2.828 185 I HA 0.295 4.466 4.170 0.001 0.000 0.295 185 I C -1.863 174.384 176.117 0.216 0.000 1.459 185 I CA -0.864 60.532 61.300 0.160 0.000 1.015 185 I CB 1.992 40.120 38.000 0.213 0.000 1.345 185 I HN -0.369 nan 8.210 nan 0.000 0.449 186 V N 6.623 126.686 119.914 0.247 0.000 2.531 186 V HA 0.585 4.706 4.120 0.001 0.000 0.301 186 V C -0.759 175.462 176.094 0.213 0.000 1.034 186 V CA -0.558 61.888 62.300 0.244 0.000 0.865 186 V CB 1.958 33.957 31.823 0.295 0.000 0.995 186 V HN 0.409 nan 8.190 nan 0.000 0.424 187 V N 5.072 125.049 119.914 0.104 0.000 2.588 187 V HA 0.555 4.676 4.120 0.001 0.000 0.304 187 V C -1.271 174.817 176.094 -0.010 0.000 1.042 187 V CA -0.850 61.546 62.300 0.160 0.000 0.877 187 V CB 1.921 33.947 31.823 0.338 0.000 0.996 187 V HN 0.739 nan 8.190 nan 0.000 0.425 188 Y N 2.262 122.722 120.300 0.266 0.000 2.446 188 Y HA 0.623 5.173 4.550 0.001 0.000 0.338 188 Y C 0.233 176.267 175.900 0.223 0.000 1.055 188 Y CA -0.473 57.745 58.100 0.198 0.000 1.101 188 Y CB 1.762 40.240 38.460 0.031 0.000 1.221 188 Y HN 0.581 nan 8.280 nan 0.000 0.460 189 Q N 2.876 122.877 119.800 0.335 0.000 2.342 189 Q HA 0.396 4.737 4.340 0.001 0.000 0.267 189 Q C -0.657 175.341 176.000 -0.004 0.000 1.038 189 Q CA -1.167 54.638 55.803 0.003 0.000 0.832 189 Q CB 1.601 30.208 28.738 -0.219 0.000 1.323 189 Q HN 0.772 nan 8.270 nan 0.000 0.448 190 R N 1.905 122.250 120.500 -0.258 0.000 2.640 190 R HA 0.110 4.450 4.340 0.001 0.000 0.270 190 R C -0.999 175.062 176.300 -0.397 0.000 1.024 190 R CA -0.031 55.695 56.100 -0.623 0.000 1.085 190 R CB 0.479 30.404 30.300 -0.625 0.000 0.963 190 R HN 0.414 nan 8.270 nan 0.000 0.426 191 V N 5.662 125.332 119.914 -0.407 0.000 2.339 191 V HA 0.017 4.138 4.120 0.001 0.000 0.261 191 V C 0.331 176.350 176.094 -0.126 0.000 1.058 191 V CA -0.051 62.142 62.300 -0.179 0.000 0.897 191 V CB 1.060 32.830 31.823 -0.088 0.000 1.052 191 V HN 0.849 nan 8.190 nan 0.000 0.480 192 D N 3.009 123.352 120.400 -0.096 0.000 2.224 192 D HA -0.096 4.544 4.640 0.001 0.000 0.205 192 D C 1.312 177.613 176.300 0.001 0.000 0.965 192 D CA 1.130 55.087 54.000 -0.071 0.000 0.852 192 D CB 0.110 40.866 40.800 -0.072 0.000 0.947 192 D HN 0.809 nan 8.370 nan 0.000 0.494 193 D N -1.099 119.322 120.400 0.034 0.000 2.491 193 D HA -0.046 4.594 4.640 0.001 0.000 0.228 193 D C 0.104 176.468 176.300 0.106 0.000 1.183 193 D CA -0.797 53.237 54.000 0.056 0.000 0.827 193 D CB -1.111 39.718 40.800 0.048 0.000 0.989 193 D HN 0.066 nan 8.370 nan 0.000 0.494 194 W N 3.097 124.334 121.300 -0.105 0.000 2.484 194 W HA -0.063 4.598 4.660 0.001 0.000 0.337 194 W C 1.705 178.136 176.519 -0.147 0.000 1.214 194 W CA -0.768 56.481 57.345 -0.159 0.000 1.296 194 W CB 0.349 29.630 29.460 -0.298 0.000 1.174 194 W HN 0.315 nan 8.180 nan 0.000 0.564 195 W N 4.375 125.378 121.300 -0.496 0.000 2.331 195 W HA -0.121 4.539 4.660 0.001 0.000 0.291 195 W C 1.212 177.248 176.519 -0.806 0.000 1.214 195 W CA 1.286 58.305 57.345 -0.544 0.000 1.228 195 W CB -1.401 27.802 29.460 -0.427 0.000 1.135 195 W HN 0.585 nan 8.180 nan 0.000 0.537 196 G N 1.866 109.009 108.800 -2.763 0.000 3.088 196 G HA2 -0.134 3.827 3.960 0.001 0.000 0.212 196 G HA3 -0.134 3.827 3.960 0.001 0.000 0.212 196 G C 1.563 175.805 174.900 -1.097 0.000 1.173 196 G CA 0.421 44.015 45.100 -2.509 0.000 0.779 196 G HN 0.478 nan 8.290 nan 0.000 0.540 197 K N 0.304 120.352 120.400 -0.588 0.000 2.147 197 K HA -0.076 4.244 4.320 0.001 0.000 0.205 197 K C 1.157 177.735 176.600 -0.036 0.000 1.049 197 K CA 1.523 57.775 56.287 -0.058 0.000 0.936 197 K CB -0.034 32.474 32.500 0.013 0.000 0.722 197 K HN 0.050 nan 8.250 nan 0.000 0.446 198 D N 0.942 121.272 120.400 -0.117 0.000 2.183 198 D HA 0.039 4.680 4.640 0.001 0.000 0.205 198 D C 2.087 178.320 176.300 -0.112 0.000 0.962 198 D CA 0.811 54.766 54.000 -0.076 0.000 0.849 198 D CB 0.026 40.783 40.800 -0.072 0.000 0.978 198 D HN 0.264 nan 8.370 nan 0.000 0.488 199 I N -0.412 120.018 120.570 -0.234 0.000 2.333 199 I HA -0.164 4.006 4.170 0.001 0.000 0.246 199 I C 1.496 177.283 176.117 -0.549 0.000 1.106 199 I CA 0.930 61.972 61.300 -0.431 0.000 1.411 199 I CB 0.045 37.662 38.000 -0.639 0.000 1.082 199 I HN -0.134 nan 8.210 nan 0.000 0.420 200 F N 0.264 120.087 119.950 -0.212 0.000 2.720 200 F HA 0.415 4.942 4.527 0.001 0.000 0.301 200 F C 1.344 177.386 175.800 0.404 0.000 1.103 200 F CA 0.367 58.272 58.000 -0.159 0.000 1.291 200 F CB -0.043 38.691 39.000 -0.442 0.000 1.086 200 F HN 0.083 nan 8.300 nan 0.000 0.592 201 G N 1.146 110.207 108.800 0.434 0.000 2.760 201 G HA2 -0.213 3.748 3.960 0.001 0.000 0.246 201 G HA3 -0.213 3.748 3.960 0.001 0.000 0.246 201 G C -0.941 174.275 174.900 0.527 0.000 1.359 201 G CA -0.905 44.447 45.100 0.421 0.000 0.861 201 G HN 0.108 nan 8.290 nan 0.000 0.541 202 L N 1.900 123.274 121.223 0.253 0.000 2.334 202 L HA 0.518 4.859 4.340 0.001 0.000 0.275 202 L C -1.474 175.177 176.870 -0.364 0.000 1.036 202 L CA -2.004 52.848 54.840 0.019 0.000 0.807 202 L CB 1.956 43.978 42.059 -0.061 0.000 1.231 202 L HN 0.512 nan 8.230 nan 0.000 0.438 203 P HA 0.123 nan 4.420 nan 0.000 0.271 203 P C -0.325 176.687 177.300 -0.481 0.000 1.218 203 P CA -0.352 62.097 63.100 -1.084 0.000 0.780 203 P CB 0.959 32.020 31.700 -1.065 0.000 0.901 204 R N 1.626 121.922 120.500 -0.340 0.000 2.075 204 R HA 0.041 4.381 4.340 0.001 0.000 0.232 204 R C -1.258 175.035 176.300 -0.012 0.000 1.126 204 R CA 1.162 57.197 56.100 -0.108 0.000 0.963 204 R CB -2.349 27.969 30.300 0.030 0.000 0.858 204 R HN 0.567 nan 8.270 nan 0.000 0.435 205 P HA 0.079 nan 4.420 nan 0.000 0.281 205 P C -0.335 176.947 177.300 -0.031 0.000 1.252 205 P CA 0.105 63.148 63.100 -0.095 0.000 0.778 205 P CB 1.262 32.683 31.700 -0.465 0.000 0.895 206 K N 2.404 122.786 120.400 -0.029 0.000 2.155 206 K HA -0.045 4.275 4.320 0.001 0.000 0.203 206 K C -0.310 176.005 176.600 -0.474 0.000 1.052 206 K CA 1.185 57.300 56.287 -0.288 0.000 0.948 206 K CB 0.066 32.360 32.500 -0.343 0.000 0.728 206 K HN 0.410 nan 8.250 nan 0.000 0.448 207 Y N 0.045 120.349 120.300 0.006 0.000 2.462 207 Y HA 0.389 4.939 4.550 0.001 0.000 0.346 207 Y C -0.757 175.082 175.900 -0.103 0.000 0.976 207 Y CA -1.050 57.027 58.100 -0.040 0.000 1.044 207 Y CB 1.714 40.113 38.460 -0.101 0.000 1.230 207 Y HN -0.209 nan 8.280 nan 0.000 0.455 208 L N 3.277 124.534 121.223 0.057 0.000 2.305 208 L HA 0.874 5.214 4.340 0.001 0.000 0.284 208 L C -0.404 176.574 176.870 0.179 0.000 1.013 208 L CA -0.908 53.942 54.840 0.017 0.000 0.819 208 L CB 1.393 43.359 42.059 -0.154 0.000 1.227 208 L HN 0.735 nan 8.230 nan 0.000 0.417 209 A N 2.317 125.168 122.820 0.051 0.000 2.343 209 A HA 0.619 4.940 4.320 0.001 0.000 0.316 209 A C -1.312 176.399 177.584 0.213 0.000 1.104 209 A CA -0.439 51.635 52.037 0.063 0.000 0.768 209 A CB 1.028 19.822 19.000 -0.342 0.000 1.213 209 A HN 0.714 nan 8.150 nan 0.000 0.456 210 H N 2.858 122.060 119.070 0.220 0.000 2.887 210 H HA 0.402 4.959 4.556 0.001 0.000 0.300 210 H C -1.002 174.356 175.328 0.050 0.000 1.038 210 H CA -0.363 55.747 56.048 0.104 0.000 1.352 210 H CB 1.100 30.837 29.762 -0.042 0.000 1.473 210 H HN 0.374 nan 8.280 nan 0.000 0.503 211 V N 6.937 126.983 119.914 0.221 0.000 2.655 211 V HA -0.005 4.116 4.120 0.001 0.000 0.300 211 V C 1.173 177.144 176.094 -0.206 0.000 1.044 211 V CA 0.034 62.288 62.300 -0.078 0.000 1.095 211 V CB 0.546 32.147 31.823 -0.369 0.000 0.952 211 V HN 0.600 nan 8.190 nan 0.000 0.485 212 I N 6.085 126.511 120.570 -0.239 0.000 2.278 212 I HA 0.214 4.385 4.170 0.001 0.000 0.296 212 I C -0.439 175.507 176.117 -0.286 0.000 1.121 212 I CA -0.079 61.089 61.300 -0.219 0.000 1.267 212 I CB -0.210 37.733 38.000 -0.094 0.000 1.447 212 I HN 0.506 nan 8.210 nan 0.000 0.509 213 Y N 5.812 126.054 120.300 -0.096 0.000 2.309 213 Y HA 0.170 4.721 4.550 0.001 0.000 0.327 213 Y C 1.454 177.413 175.900 0.099 0.000 1.172 213 Y CA -0.341 57.738 58.100 -0.036 0.000 1.280 213 Y CB 0.680 39.075 38.460 -0.107 0.000 1.234 213 Y HN 0.342 nan 8.280 nan 0.000 0.512 214 K N 1.134 121.752 120.400 0.363 0.000 2.167 214 K HA -0.028 4.292 4.320 0.001 0.000 0.203 214 K C -0.417 176.527 176.600 0.572 0.000 1.052 214 K CA 1.108 57.656 56.287 0.436 0.000 0.956 214 K CB -0.327 32.385 32.500 0.353 0.000 0.735 214 K HN 0.948 nan 8.250 nan 0.000 0.451 215 D N -3.033 117.665 120.400 0.496 0.000 2.643 215 D HA 0.152 4.792 4.640 0.001 0.000 0.283 215 D C 0.332 176.823 176.300 0.319 0.000 1.242 215 D CA -0.687 53.520 54.000 0.345 0.000 0.863 215 D CB -0.067 40.765 40.800 0.052 0.000 1.382 215 D HN -0.364 nan 8.370 nan 0.000 0.444 216 N N -0.253 118.541 118.700 0.156 0.000 2.069 216 N HA -0.045 4.696 4.740 0.001 0.000 0.191 216 N C -1.219 174.270 175.510 -0.036 0.000 1.031 216 N CA 1.470 54.557 53.050 0.063 0.000 0.852 216 N CB -1.399 37.073 38.487 -0.024 0.000 1.018 216 N HN 0.405 nan 8.380 nan 0.000 0.423 217 P HA -0.099 nan 4.420 nan 0.000 0.215 217 P C 1.656 178.919 177.300 -0.061 0.000 1.153 217 P CA 1.728 64.794 63.100 -0.057 0.000 0.853 217 P CB -0.139 31.544 31.700 -0.027 0.000 0.788 218 S N -0.479 115.216 115.700 -0.008 0.000 2.368 218 S HA -0.096 4.374 4.470 0.001 0.000 0.224 218 S C 2.140 176.597 174.600 -0.238 0.000 1.029 218 S CA 1.158 59.357 58.200 -0.002 0.000 0.988 218 S CB -1.504 61.794 63.200 0.163 0.000 0.838 218 S HN 0.110 nan 8.310 nan 0.000 0.462 219 A N 1.454 124.034 122.820 -0.401 0.000 1.933 219 A HA 0.032 4.353 4.320 0.001 0.000 0.218 219 A C 2.445 179.736 177.584 -0.489 0.000 1.175 219 A CA 1.733 53.250 52.037 -0.867 0.000 0.628 219 A CB -1.252 17.384 19.000 -0.607 0.000 0.814 219 A HN 0.526 nan 8.150 nan 0.000 0.444 220 S N -0.512 115.017 115.700 -0.284 0.000 2.382 220 S HA -0.057 4.414 4.470 0.001 0.000 0.228 220 S C 1.820 176.348 174.600 -0.121 0.000 1.027 220 S CA 1.239 59.328 58.200 -0.184 0.000 0.991 220 S CB -0.395 62.687 63.200 -0.197 0.000 0.823 220 S HN 0.528 nan 8.310 nan 0.000 0.469 221 L N 0.712 121.852 121.223 -0.138 0.000 2.056 221 L HA -0.087 4.254 4.340 0.001 0.000 0.207 221 L C 2.749 179.565 176.870 -0.090 0.000 1.078 221 L CA 1.141 55.923 54.840 -0.098 0.000 0.749 221 L CB -0.634 41.385 42.059 -0.067 0.000 0.901 221 L HN 0.313 nan 8.230 nan 0.000 0.433 222 A N -0.155 122.585 122.820 -0.134 0.000 1.902 222 A HA -0.275 4.045 4.320 0.001 0.000 0.217 222 A C 2.157 179.722 177.584 -0.031 0.000 1.181 222 A CA 1.533 53.518 52.037 -0.087 0.000 0.623 222 A CB -0.811 18.090 19.000 -0.164 0.000 0.818 222 A HN 0.379 nan 8.150 nan 0.000 0.443 223 F N 1.033 120.850 119.950 -0.223 0.000 2.134 223 F HA -0.134 4.393 4.527 0.001 0.000 0.299 223 F C 2.190 177.909 175.800 -0.135 0.000 1.097 223 F CA 2.018 59.912 58.000 -0.177 0.000 1.264 223 F CB -0.415 38.449 39.000 -0.228 0.000 1.001 223 F HN 0.384 nan 8.300 nan 0.000 0.479 224 E N -0.009 120.085 120.200 -0.177 0.000 2.153 224 E HA -0.229 4.121 4.350 0.001 0.000 0.194 224 E C 2.020 178.496 176.600 -0.208 0.000 0.988 224 E CA 1.297 57.549 56.400 -0.247 0.000 0.811 224 E CB -0.243 29.361 29.700 -0.161 0.000 0.746 224 E HN 0.527 nan 8.360 nan 0.000 0.466 225 R N -0.325 120.092 120.500 -0.138 0.000 2.310 225 R HA 0.112 4.453 4.340 0.001 0.000 0.202 225 R C 1.050 177.300 176.300 -0.083 0.000 0.933 225 R CA 0.810 56.851 56.100 -0.098 0.000 1.054 225 R CB 0.318 30.582 30.300 -0.060 0.000 0.985 225 R HN 0.149 nan 8.270 nan 0.000 0.489 226 G N 1.215 109.948 108.800 -0.111 0.000 2.144 226 G HA2 -0.180 3.780 3.960 0.001 0.000 0.218 226 G HA3 -0.180 3.780 3.960 0.001 0.000 0.218 226 G C -0.074 174.864 174.900 0.064 0.000 0.988 226 G CA 0.155 45.229 45.100 -0.044 0.000 0.659 226 G HN 0.386 nan 8.290 nan 0.000 0.522 227 D N 0.151 120.564 120.400 0.020 0.000 2.339 227 D HA 0.266 4.907 4.640 0.001 0.000 0.217 227 D C 0.983 177.322 176.300 0.064 0.000 1.050 227 D CA 0.451 54.438 54.000 -0.023 0.000 0.856 227 D CB 0.567 41.325 40.800 -0.070 0.000 0.922 227 D HN 0.530 nan 8.370 nan 0.000 0.518 228 I N 0.890 121.583 120.570 0.205 0.000 2.478 228 I HA 0.115 4.285 4.170 0.001 0.000 0.287 228 I C 0.409 176.776 176.117 0.416 0.000 1.042 228 I CA -0.504 60.983 61.300 0.312 0.000 1.067 228 I CB 2.560 40.704 38.000 0.239 0.000 1.233 228 I HN -0.337 nan 8.210 nan 0.000 0.431 229 D N 4.173 124.837 120.400 0.440 0.000 2.216 229 D HA -0.038 4.603 4.640 0.001 0.000 0.208 229 D C -0.237 176.218 176.300 0.259 0.000 0.960 229 D CA 1.155 55.439 54.000 0.475 0.000 0.861 229 D CB 0.520 41.728 40.800 0.680 0.000 0.985 229 D HN 0.362 nan 8.370 nan 0.000 0.493 230 W N 2.274 123.564 121.300 -0.017 0.000 2.543 230 W HA 0.378 5.039 4.660 0.001 0.000 0.318 230 W C -1.158 175.238 176.519 -0.206 0.000 1.002 230 W CA -1.120 56.108 57.345 -0.194 0.000 1.302 230 W CB 0.298 29.803 29.460 0.075 0.000 1.299 230 W HN -0.379 nan 8.180 nan 0.000 0.424 231 N N 2.057 120.613 118.700 -0.239 0.000 2.314 231 N HA 0.660 5.400 4.740 0.001 0.000 0.304 231 N C -0.081 175.203 175.510 -0.377 0.000 1.073 231 N CA -0.318 52.450 53.050 -0.470 0.000 0.822 231 N CB 2.147 40.090 38.487 -0.907 0.000 1.280 231 N HN 0.510 nan 8.380 nan 0.000 0.489 232 G N 1.834 110.446 108.800 -0.313 0.000 4.828 232 G HA2 0.342 4.303 3.960 0.001 0.000 0.294 232 G HA3 0.342 4.303 3.960 0.001 0.000 0.294 232 G C -0.903 174.053 174.900 0.094 0.000 1.288 232 G CA -0.065 44.991 45.100 -0.074 0.000 0.987 232 G HN 0.407 nan 8.290 nan 0.000 0.587 233 L N 0.572 121.638 121.223 -0.261 0.000 2.331 233 L HA 0.713 5.054 4.340 0.001 0.000 0.275 233 L C -0.379 175.850 176.870 -1.069 0.000 1.022 233 L CA -1.348 53.176 54.840 -0.526 0.000 0.812 233 L CB 1.630 43.398 42.059 -0.485 0.000 1.257 233 L HN 0.193 nan 8.230 nan 0.000 0.435 234 F N 5.189 124.173 119.950 -1.610 0.000 2.504 234 F HA 0.496 5.024 4.527 0.001 0.000 0.369 234 F C -0.557 174.703 175.800 -0.900 0.000 1.082 234 F CA -0.005 56.943 58.000 -1.753 0.000 1.216 234 F CB 0.127 38.324 39.000 -1.338 0.000 1.108 234 F HN 0.233 nan 8.300 nan 0.000 0.554 235 I N 8.436 128.037 120.570 -1.614 0.000 2.478 235 I HA 0.287 4.458 4.170 0.001 0.000 0.287 235 I C -2.325 172.945 176.117 -1.412 0.000 1.042 235 I CA -2.249 58.315 61.300 -1.226 0.000 1.067 235 I CB 2.153 39.740 38.000 -0.689 0.000 1.233 235 I HN 0.445 nan 8.210 nan 0.000 0.431 236 P HA 0.071 nan 4.420 nan 0.000 0.271 236 P C -0.027 176.569 177.300 -1.174 0.000 1.216 236 P CA 0.249 62.382 63.100 -1.611 0.000 0.771 236 P CB 0.886 32.013 31.700 -0.954 0.000 0.864 237 S N 0.037 114.978 115.700 -1.264 0.000 3.559 237 S HA -0.142 4.329 4.470 0.001 0.000 0.369 237 S C 1.205 174.824 174.600 -1.636 0.000 0.987 237 S CA 0.589 57.796 58.200 -1.654 0.000 1.187 237 S CB -1.841 60.723 63.200 -1.060 0.000 0.914 237 S HN 0.568 nan 8.310 nan 0.000 0.480 238 V N 0.751 120.017 119.914 -1.081 0.000 2.469 238 V HA -0.223 3.898 4.120 0.001 0.000 0.251 238 V C 1.928 177.406 176.094 -1.027 0.000 1.064 238 V CA 2.812 64.652 62.300 -0.767 0.000 1.066 238 V CB -0.517 31.060 31.823 -0.410 0.000 0.667 238 V HN 0.948 nan 8.190 nan 0.000 0.461 239 W N 0.343 120.995 121.300 -1.081 0.000 2.364 239 W HA -0.117 4.543 4.660 0.001 0.000 0.281 239 W C 1.843 177.575 176.519 -1.312 0.000 1.219 239 W CA 1.140 57.516 57.345 -1.616 0.000 1.220 239 W CB -0.885 28.097 29.460 -0.797 0.000 1.127 239 W HN 0.251 nan 8.180 nan 0.000 0.556 240 E N 1.124 120.633 120.200 -1.151 0.000 2.204 240 E HA -0.160 4.191 4.350 0.001 0.000 0.194 240 E C 2.172 178.456 176.600 -0.527 0.000 0.989 240 E CA 1.289 57.282 56.400 -0.678 0.000 0.824 240 E CB -0.411 28.922 29.700 -0.611 0.000 0.756 240 E HN 0.426 nan 8.360 nan 0.000 0.477 241 L N -0.105 120.772 121.223 -0.575 0.000 2.042 241 L HA -0.185 4.155 4.340 0.001 0.000 0.210 241 L C 2.383 179.173 176.870 -0.133 0.000 1.076 241 L CA 1.654 56.312 54.840 -0.303 0.000 0.749 241 L CB -0.453 41.493 42.059 -0.187 0.000 0.893 241 L HN 0.429 nan 8.230 nan 0.000 0.432 242 W N -1.299 119.938 121.300 -0.105 0.000 2.907 242 W HA 0.206 4.867 4.660 0.001 0.000 0.271 242 W C 1.895 178.404 176.519 -0.018 0.000 1.253 242 W CA -0.292 57.014 57.345 -0.067 0.000 1.501 242 W CB -0.388 29.039 29.460 -0.055 0.000 1.047 242 W HN -0.105 nan 8.180 nan 0.000 0.610 243 E N 1.044 121.104 120.200 -0.233 0.000 2.060 243 E HA -0.068 4.283 4.350 0.001 0.000 0.189 243 E C 1.864 178.444 176.600 -0.034 0.000 0.974 243 E CA 1.034 57.401 56.400 -0.055 0.000 0.808 243 E CB 0.064 29.712 29.700 -0.087 0.000 0.768 243 E HN 0.219 nan 8.360 nan 0.000 0.453 244 K N 0.512 120.851 120.400 -0.102 0.000 2.240 244 K HA 0.076 4.396 4.320 0.001 0.000 0.202 244 K C 1.628 178.184 176.600 -0.074 0.000 1.053 244 K CA 0.395 56.636 56.287 -0.076 0.000 0.973 244 K CB 0.411 32.848 32.500 -0.105 0.000 0.924 244 K HN -0.182 nan 8.250 nan 0.000 0.477 245 K N -0.292 120.044 120.400 -0.105 0.000 2.426 245 K HA 0.104 4.424 4.320 0.001 0.000 0.193 245 K C 0.444 177.007 176.600 -0.062 0.000 1.028 245 K CA 0.570 56.801 56.287 -0.094 0.000 1.047 245 K CB 0.655 33.076 32.500 -0.131 0.000 0.821 245 K HN 0.363 nan 8.250 nan 0.000 0.513 246 G N 2.261 111.044 108.800 -0.028 0.000 2.305 246 G HA2 -0.271 3.689 3.960 0.001 0.000 0.287 246 G HA3 -0.271 3.689 3.960 0.001 0.000 0.287 246 G C -0.083 174.810 174.900 -0.011 0.000 1.036 246 G CA 0.095 45.197 45.100 0.004 0.000 0.887 246 G HN 0.162 nan 8.290 nan 0.000 0.505 247 L N 0.232 121.443 121.223 -0.020 0.000 2.375 247 L HA 0.394 4.734 4.340 0.001 0.000 0.271 247 L C -1.204 175.643 176.870 -0.037 0.000 1.107 247 L CA -2.125 52.674 54.840 -0.069 0.000 0.806 247 L CB 0.992 42.962 42.059 -0.149 0.000 1.146 247 L HN -0.041 nan 8.230 nan 0.000 0.447 248 P HA 0.092 nan 4.420 nan 0.000 0.226 248 P C -0.725 176.526 177.300 -0.082 0.000 1.783 248 P CA 0.063 63.129 63.100 -0.056 0.000 0.980 248 P CB -0.162 31.500 31.700 -0.063 0.000 1.967 249 V N -1.475 118.382 119.914 -0.095 0.000 3.001 249 V HA 1.040 5.160 4.120 0.001 0.000 0.314 249 V C -0.158 175.753 176.094 -0.304 0.000 1.099 249 V CA -0.872 61.321 62.300 -0.177 0.000 0.989 249 V CB 2.086 33.779 31.823 -0.217 0.000 1.040 249 V HN 0.345 nan 8.190 nan 0.000 0.434 250 G N 0.644 108.987 108.800 -0.763 0.000 2.649 250 G HA2 0.828 4.788 3.960 0.001 0.000 0.290 250 G HA3 0.828 4.788 3.960 0.001 0.000 0.290 250 G C -0.743 173.322 174.900 -1.392 0.000 1.426 250 G CA 0.041 44.436 45.100 -1.175 0.000 0.794 250 G HN 1.517 nan 8.290 nan 0.000 0.483 251 T N -3.189 110.853 114.554 -0.853 0.000 2.804 251 T HA 0.394 4.744 4.350 0.001 0.000 0.290 251 T C 0.618 175.356 174.700 0.063 0.000 1.099 251 T CA -0.573 61.305 62.100 -0.369 0.000 1.011 251 T CB 1.804 70.543 68.868 -0.216 0.000 1.291 251 T HN 0.676 nan 8.240 nan 0.000 0.523 252 W N 0.560 121.922 121.300 0.104 0.000 2.354 252 W HA 0.034 4.694 4.660 0.001 0.000 0.315 252 W C -0.653 175.818 176.519 -0.081 0.000 1.206 252 W CA 1.102 58.492 57.345 0.075 0.000 1.290 252 W CB -0.260 29.153 29.460 -0.078 0.000 1.152 252 W HN 0.554 nan 8.180 nan 0.000 0.489 253 Y N 1.353 121.844 120.300 0.319 0.000 2.330 253 Y HA 0.178 4.729 4.550 0.001 0.000 0.336 253 Y C 1.449 177.402 175.900 0.087 0.000 1.036 253 Y CA -0.602 57.596 58.100 0.162 0.000 1.125 253 Y CB 1.116 39.666 38.460 0.151 0.000 1.194 253 Y HN -0.159 nan 8.280 nan 0.000 0.469 254 K N 2.021 122.539 120.400 0.197 0.000 2.228 254 K HA 0.013 4.334 4.320 0.001 0.000 0.202 254 K C -0.166 176.636 176.600 0.337 0.000 1.051 254 K CA 0.996 57.386 56.287 0.171 0.000 0.960 254 K CB 0.290 32.821 32.500 0.052 0.000 0.743 254 K HN 0.645 nan 8.250 nan 0.000 0.458 255 K N 0.681 121.128 120.400 0.078 0.000 2.280 255 K HA 0.136 4.457 4.320 0.001 0.000 0.234 255 K C -0.727 175.418 176.600 -0.758 0.000 1.028 255 K CA -0.753 55.418 56.287 -0.194 0.000 0.882 255 K CB 1.334 33.758 32.500 -0.128 0.000 1.194 255 K HN -0.043 nan 8.250 nan 0.000 0.458 256 E N 2.228 121.869 120.200 -0.931 0.000 2.568 256 E HA -0.084 4.266 4.350 0.001 0.000 0.262 256 E C -1.622 174.722 176.600 -0.427 0.000 0.961 256 E CA -0.816 55.124 56.400 -0.766 0.000 0.945 256 E CB 0.484 29.985 29.700 -0.332 0.000 0.924 256 E HN 0.227 nan 8.360 nan 0.000 0.467 257 P HA 0.051 nan 4.420 nan 0.000 0.261 257 P C -0.638 176.876 177.300 0.356 0.000 1.352 257 P CA 0.120 63.293 63.100 0.121 0.000 0.891 257 P CB 0.155 32.028 31.700 0.287 0.000 1.383 258 Y N -3.369 117.116 120.300 0.309 0.000 3.694 258 Y HA -0.286 4.265 4.550 0.001 0.000 0.400 258 Y C 0.359 176.133 175.900 -0.210 0.000 1.200 258 Y CA 1.064 59.188 58.100 0.040 0.000 2.245 258 Y CB -2.644 35.666 38.460 -0.250 0.000 0.883 258 Y HN -0.025 nan 8.280 nan 0.000 0.478 259 F N 0.930 121.226 119.950 0.576 0.000 2.551 259 F HA 0.555 5.082 4.527 0.001 0.000 0.316 259 F C 0.577 176.556 175.800 0.298 0.000 1.089 259 F CA -1.609 56.605 58.000 0.357 0.000 0.915 259 F CB 1.149 40.282 39.000 0.222 0.000 1.186 259 F HN -0.079 nan 8.300 nan 0.000 0.456 260 I N 1.227 121.883 120.570 0.143 0.000 2.823 260 I HA 0.469 4.640 4.170 0.001 0.000 0.290 260 I C -2.459 173.688 176.117 0.049 0.000 1.091 260 I CA -2.072 59.198 61.300 -0.050 0.000 1.365 260 I CB 0.764 38.309 38.000 -0.759 0.000 1.427 260 I HN 0.241 nan 8.210 nan 0.000 0.583 261 P HA 0.164 nan 4.420 nan 0.000 0.278 261 P C -0.759 176.596 177.300 0.090 0.000 1.238 261 P CA 0.084 63.270 63.100 0.144 0.000 0.794 261 P CB 1.740 33.536 31.700 0.161 0.000 0.955 262 D N 1.213 121.726 120.400 0.187 0.000 2.338 262 D HA 0.218 4.858 4.640 0.001 0.000 0.224 262 D C 1.042 177.483 176.300 0.235 0.000 0.967 262 D CA 1.137 55.296 54.000 0.265 0.000 0.896 262 D CB 0.350 41.418 40.800 0.447 0.000 1.028 262 D HN 0.586 nan 8.370 nan 0.000 0.493 263 G N -1.119 107.823 108.800 0.237 0.000 2.435 263 G HA2 0.328 4.288 3.960 0.001 0.000 0.228 263 G HA3 0.328 4.288 3.960 0.001 0.000 0.228 263 G C -1.727 173.328 174.900 0.258 0.000 1.198 263 G CA -0.180 45.049 45.100 0.215 0.000 0.948 263 G HN 0.022 nan 8.290 nan 0.000 0.487 264 V N 1.173 121.230 119.914 0.238 0.000 2.409 264 V HA 0.698 4.819 4.120 0.001 0.000 0.291 264 V C 0.762 176.861 176.094 0.008 0.000 1.020 264 V CA 0.022 62.385 62.300 0.104 0.000 0.848 264 V CB 1.120 32.998 31.823 0.091 0.000 0.990 264 V HN 1.201 nan 8.190 nan 0.000 0.430 265 G N 3.520 112.034 108.800 -0.477 0.000 2.339 265 G HA2 0.603 4.563 3.960 0.001 0.000 0.287 265 G HA3 0.603 4.563 3.960 0.001 0.000 0.287 265 G C -1.065 173.432 174.900 -0.672 0.000 1.163 265 G CA -0.120 44.557 45.100 -0.704 0.000 0.872 265 G HN 0.423 nan 8.290 nan 0.000 0.464 266 F N 1.041 120.726 119.950 -0.442 0.000 2.507 266 F HA 0.393 4.920 4.527 0.001 0.000 0.327 266 F C 0.344 175.916 175.800 -0.381 0.000 1.068 266 F CA -0.839 56.863 58.000 -0.497 0.000 0.965 266 F CB 2.587 41.001 39.000 -0.977 0.000 1.192 266 F HN 0.180 nan 8.300 nan 0.000 0.476 267 V N 3.841 123.694 119.914 -0.102 0.000 2.356 267 V HA 0.087 4.208 4.120 0.001 0.000 0.258 267 V C -0.611 175.491 176.094 0.013 0.000 1.065 267 V CA -0.558 61.722 62.300 -0.034 0.000 0.935 267 V CB -0.700 31.099 31.823 -0.040 0.000 1.061 267 V HN 0.496 nan 8.190 nan 0.000 0.484 268 Y N 3.326 123.686 120.300 0.100 0.000 2.319 268 Y HA 0.433 4.983 4.550 0.001 0.000 0.328 268 Y C 0.374 176.405 175.900 0.219 0.000 1.133 268 Y CA -0.207 57.970 58.100 0.129 0.000 1.265 268 Y CB 1.372 39.846 38.460 0.022 0.000 1.218 268 Y HN 0.339 nan 8.280 nan 0.000 0.508 269 V N 4.099 124.226 119.914 0.354 0.000 2.407 269 V HA 0.151 4.271 4.120 0.001 0.000 0.291 269 V C -0.287 175.880 176.094 0.122 0.000 1.018 269 V CA -1.379 61.038 62.300 0.196 0.000 0.842 269 V CB 1.394 33.250 31.823 0.054 0.000 0.996 269 V HN 0.690 nan 8.190 nan 0.000 0.426 270 N N 3.949 122.596 118.700 -0.089 0.000 2.429 270 N HA 0.038 4.779 4.740 0.001 0.000 0.271 270 N C 0.869 176.268 175.510 -0.185 0.000 1.272 270 N CA 0.301 53.130 53.050 -0.368 0.000 0.921 270 N CB 0.673 38.647 38.487 -0.856 0.000 1.128 270 N HN 0.570 nan 8.380 nan 0.000 0.481 271 N N 0.975 119.626 118.700 -0.083 0.000 2.512 271 N HA -0.098 4.642 4.740 0.001 0.000 0.183 271 N C 1.284 176.762 175.510 -0.053 0.000 1.073 271 N CA 1.016 54.053 53.050 -0.021 0.000 0.911 271 N CB 0.083 38.610 38.487 0.068 0.000 0.964 271 N HN 0.682 nan 8.380 nan 0.000 0.447 272 T N -2.925 111.564 114.554 -0.107 0.000 3.065 272 T HA 0.133 4.483 4.350 0.001 0.000 0.252 272 T C 0.653 175.302 174.700 -0.084 0.000 1.099 272 T CA 0.073 62.117 62.100 -0.093 0.000 1.063 272 T CB 0.210 69.010 68.868 -0.114 0.000 0.948 272 T HN -0.219 nan 8.240 nan 0.000 0.506 273 K N 3.304 123.642 120.400 -0.105 0.000 2.218 273 K HA 0.334 4.654 4.320 0.001 0.000 0.276 273 K C -2.648 173.957 176.600 0.009 0.000 1.022 273 K CA -2.695 53.560 56.287 -0.054 0.000 0.946 273 K CB 0.610 33.059 32.500 -0.085 0.000 1.000 273 K HN 0.209 nan 8.250 nan 0.000 0.468 274 P HA -0.043 nan 4.420 nan 0.000 0.265 274 P C 0.808 178.205 177.300 0.161 0.000 1.193 274 P CA 0.646 63.801 63.100 0.092 0.000 0.765 274 P CB 0.638 32.388 31.700 0.083 0.000 0.823 275 G N 2.760 111.650 108.800 0.149 0.000 3.329 275 G HA2 -0.350 3.611 3.960 0.001 0.000 0.220 275 G HA3 -0.350 3.611 3.960 0.001 0.000 0.220 275 G C 1.062 175.989 174.900 0.046 0.000 1.358 275 G CA 0.278 45.479 45.100 0.169 0.000 0.856 275 G HN 0.480 nan 8.290 nan 0.000 0.551 276 L N 2.437 123.632 121.223 -0.046 0.000 2.362 276 L HA 0.022 4.362 4.340 0.001 0.000 0.219 276 L C 3.003 179.844 176.870 -0.048 0.000 1.134 276 L CA 1.872 56.627 54.840 -0.141 0.000 0.807 276 L CB -0.440 41.449 42.059 -0.282 0.000 0.927 276 L HN 0.617 nan 8.230 nan 0.000 0.447 277 S N -2.172 113.526 115.700 -0.003 0.000 2.515 277 S HA -0.087 4.383 4.470 0.001 0.000 0.231 277 S C 0.761 175.393 174.600 0.054 0.000 0.987 277 S CA -0.018 58.196 58.200 0.022 0.000 0.936 277 S CB -0.313 62.901 63.200 0.022 0.000 0.766 277 S HN 0.318 nan 8.310 nan 0.000 0.528 278 D N 2.731 123.172 120.400 0.069 0.000 2.295 278 D HA 0.323 4.964 4.640 0.001 0.000 0.248 278 D C -1.825 174.525 176.300 0.083 0.000 1.154 278 D CA -2.516 51.545 54.000 0.102 0.000 0.857 278 D CB 1.585 42.494 40.800 0.182 0.000 1.117 278 D HN -0.048 nan 8.370 nan 0.000 0.468 279 P HA -0.156 nan 4.420 nan 0.000 0.217 279 P C 0.926 178.282 177.300 0.093 0.000 1.148 279 P CA 1.509 64.664 63.100 0.093 0.000 0.828 279 P CB 0.186 31.947 31.700 0.101 0.000 0.783 280 A N -0.690 122.195 122.820 0.107 0.000 1.902 280 A HA -0.159 4.162 4.320 0.001 0.000 0.217 280 A C 2.326 179.946 177.584 0.060 0.000 1.181 280 A CA 1.839 53.943 52.037 0.111 0.000 0.623 280 A CB -1.661 17.438 19.000 0.164 0.000 0.818 280 A HN 0.059 nan 8.150 nan 0.000 0.443 281 V N 0.066 119.981 119.914 0.002 0.000 2.427 281 V HA -0.244 3.876 4.120 0.001 0.000 0.248 281 V C 2.612 178.688 176.094 -0.031 0.000 1.051 281 V CA 2.125 64.367 62.300 -0.097 0.000 1.048 281 V CB -0.824 30.892 31.823 -0.178 0.000 0.666 281 V HN 0.521 nan 8.190 nan 0.000 0.456 282 R N 0.064 120.567 120.500 0.005 0.000 2.092 282 R HA -0.098 4.242 4.340 0.001 0.000 0.231 282 R C 2.398 178.735 176.300 0.060 0.000 1.119 282 R CA 1.096 57.208 56.100 0.021 0.000 0.970 282 R CB -0.298 30.020 30.300 0.029 0.000 0.864 282 R HN 0.491 nan 8.270 nan 0.000 0.440 283 K N 0.597 121.058 120.400 0.102 0.000 2.057 283 K HA -0.070 4.251 4.320 0.001 0.000 0.207 283 K C 2.195 178.939 176.600 0.240 0.000 1.049 283 K CA 1.314 57.709 56.287 0.179 0.000 0.931 283 K CB -0.142 32.491 32.500 0.222 0.000 0.714 283 K HN 0.125 nan 8.250 nan 0.000 0.440 284 A N 1.577 124.495 122.820 0.163 0.000 1.933 284 A HA -0.158 4.163 4.320 0.001 0.000 0.218 284 A C 2.111 179.778 177.584 0.139 0.000 1.175 284 A CA 1.299 53.428 52.037 0.152 0.000 0.628 284 A CB -0.588 18.439 19.000 0.046 0.000 0.814 284 A HN 0.182 nan 8.150 nan 0.000 0.444 285 I N -0.229 120.385 120.570 0.073 0.000 2.226 285 I HA -0.294 3.877 4.170 0.001 0.000 0.245 285 I C 2.938 179.081 176.117 0.043 0.000 1.100 285 I CA 1.027 62.351 61.300 0.039 0.000 1.374 285 I CB -0.288 37.711 38.000 -0.001 0.000 1.057 285 I HN 0.360 nan 8.210 nan 0.000 0.413 286 A N -0.013 122.836 122.820 0.047 0.000 1.940 286 A HA -0.237 4.083 4.320 0.001 0.000 0.219 286 A C 2.043 179.638 177.584 0.018 0.000 1.176 286 A CA 1.590 53.625 52.037 -0.004 0.000 0.631 286 A CB -0.919 18.026 19.000 -0.091 0.000 0.814 286 A HN 0.458 nan 8.150 nan 0.000 0.446 287 Y N -0.918 119.441 120.300 0.098 0.000 2.544 287 Y HA 0.218 4.769 4.550 0.001 0.000 0.286 287 Y C 2.408 178.391 175.900 0.139 0.000 1.141 287 Y CA 0.563 58.735 58.100 0.120 0.000 1.299 287 Y CB 0.024 38.523 38.460 0.066 0.000 1.030 287 Y HN 0.330 nan 8.280 nan 0.000 0.543 288 A N -0.487 122.474 122.820 0.235 0.000 2.308 288 A HA 0.238 4.558 4.320 0.001 0.000 0.217 288 A C 0.603 178.303 177.584 0.194 0.000 1.216 288 A CA -0.197 51.990 52.037 0.251 0.000 0.864 288 A CB -0.547 18.538 19.000 0.142 0.000 0.902 288 A HN 0.235 nan 8.150 nan 0.000 0.499 289 I N 2.228 122.749 120.570 -0.082 0.000 2.452 289 I HA 0.153 4.324 4.170 0.001 0.000 0.287 289 I C -2.044 173.637 176.117 -0.728 0.000 1.079 289 I CA -1.828 59.169 61.300 -0.505 0.000 1.387 289 I CB 1.271 38.723 38.000 -0.914 0.000 1.404 289 I HN 0.062 nan 8.210 nan 0.000 0.522 290 P HA 0.080 nan 4.420 nan 0.000 0.231 290 P C 0.067 177.013 177.300 -0.589 0.000 1.811 290 P CA -0.072 62.326 63.100 -1.171 0.000 1.051 290 P CB -0.107 30.945 31.700 -1.081 0.000 1.951 291 Y N 1.586 121.715 120.300 -0.285 0.000 2.030 291 Y HA -0.322 4.228 4.550 0.001 0.000 0.274 291 Y C 2.239 178.042 175.900 -0.160 0.000 1.153 291 Y CA 2.067 60.055 58.100 -0.186 0.000 1.115 291 Y CB -1.384 36.999 38.460 -0.128 0.000 0.969 291 Y HN 0.195 nan 8.280 nan 0.000 0.488 292 N N -0.357 118.378 118.700 0.058 0.000 2.084 292 N HA -0.153 4.587 4.740 0.001 0.000 0.190 292 N C 1.692 177.179 175.510 -0.040 0.000 1.030 292 N CA 1.493 54.556 53.050 0.021 0.000 0.849 292 N CB -0.240 38.272 38.487 0.043 0.000 1.012 292 N HN 0.265 nan 8.380 nan 0.000 0.423 293 E N 0.708 120.847 120.200 -0.102 0.000 2.077 293 E HA -0.161 4.190 4.350 0.001 0.000 0.193 293 E C 2.029 178.549 176.600 -0.134 0.000 0.989 293 E CA 0.947 57.275 56.400 -0.120 0.000 0.800 293 E CB -0.369 29.236 29.700 -0.158 0.000 0.746 293 E HN 0.608 nan 8.360 nan 0.000 0.452 294 M N -0.668 118.823 119.600 -0.181 0.000 2.229 294 M HA -0.043 4.437 4.480 0.001 0.000 0.264 294 M C 2.004 178.229 176.300 -0.124 0.000 1.063 294 M CA 1.457 56.651 55.300 -0.176 0.000 1.114 294 M CB -0.341 32.113 32.600 -0.244 0.000 1.387 294 M HN -0.035 nan 8.290 nan 0.000 0.420 295 L N 0.370 121.537 121.223 -0.093 0.000 2.156 295 L HA -0.050 4.290 4.340 0.001 0.000 0.208 295 L C 2.481 179.397 176.870 0.077 0.000 1.095 295 L CA 1.087 55.932 54.840 0.008 0.000 0.770 295 L CB -0.444 41.636 42.059 0.034 0.000 0.914 295 L HN 0.370 nan 8.230 nan 0.000 0.439 296 K N 0.132 120.531 120.400 -0.001 0.000 2.007 296 K HA -0.110 4.210 4.320 0.001 0.000 0.206 296 K C 2.135 178.646 176.600 -0.148 0.000 1.047 296 K CA 1.185 57.450 56.287 -0.037 0.000 0.937 296 K CB 0.055 32.530 32.500 -0.041 0.000 0.718 296 K HN 0.174 nan 8.250 nan 0.000 0.438 297 K N 0.106 120.410 120.400 -0.159 0.000 2.067 297 K HA 0.043 4.363 4.320 0.001 0.000 0.203 297 K C 2.157 178.604 176.600 -0.255 0.000 1.048 297 K CA 1.014 57.152 56.287 -0.248 0.000 0.954 297 K CB 0.052 32.457 32.500 -0.158 0.000 0.737 297 K HN 0.064 nan 8.250 nan 0.000 0.444 298 A N -0.246 122.524 122.820 -0.084 0.000 1.975 298 A HA -0.063 4.257 4.320 0.001 0.000 0.215 298 A C 1.551 179.293 177.584 0.263 0.000 1.170 298 A CA 0.885 52.944 52.037 0.037 0.000 0.656 298 A CB -0.272 18.712 19.000 -0.026 0.000 0.821 298 A HN 0.366 nan 8.150 nan 0.000 0.449 299 Y N -2.785 117.564 120.300 0.082 0.000 2.467 299 Y HA 0.279 4.830 4.550 0.001 0.000 0.250 299 Y C -0.170 175.922 175.900 0.320 0.000 1.155 299 Y CA -0.548 57.711 58.100 0.265 0.000 1.249 299 Y CB 0.323 38.839 38.460 0.092 0.000 1.146 299 Y HN 0.264 nan 8.280 nan 0.000 0.524 300 F N 0.105 120.040 119.950 -0.024 0.000 3.084 300 F HA -0.321 4.207 4.527 0.001 0.000 0.286 300 F C 1.450 177.115 175.800 -0.225 0.000 0.855 300 F CA 1.051 58.904 58.000 -0.244 0.000 1.091 300 F CB -1.507 37.114 39.000 -0.631 0.000 1.177 300 F HN 0.262 nan 8.300 nan 0.000 0.542 301 G N -1.679 107.198 108.800 0.129 0.000 2.168 301 G HA2 -0.405 3.556 3.960 0.001 0.000 0.257 301 G HA3 -0.405 3.556 3.960 0.001 0.000 0.257 301 G C 0.440 175.591 174.900 0.418 0.000 0.997 301 G CA 0.461 45.705 45.100 0.240 0.000 0.708 301 G HN 0.501 nan 8.290 nan 0.000 0.520 302 Y N 0.368 120.955 120.300 0.478 0.000 2.571 302 Y HA 0.377 4.927 4.550 0.001 0.000 0.294 302 Y C 1.874 178.045 175.900 0.451 0.000 1.141 302 Y CA 0.361 58.748 58.100 0.478 0.000 1.308 302 Y CB 0.007 38.671 38.460 0.340 0.000 1.002 302 Y HN 0.624 nan 8.280 nan 0.000 0.551 303 G N -1.218 108.011 108.800 0.715 0.000 2.673 303 G HA2 0.491 4.452 3.960 0.001 0.000 0.292 303 G HA3 0.491 4.452 3.960 0.001 0.000 0.292 303 G C -1.102 174.103 174.900 0.508 0.000 1.450 303 G CA -0.502 45.002 45.100 0.674 0.000 0.837 303 G HN 0.064 nan 8.290 nan 0.000 0.505 304 S N -0.633 115.313 115.700 0.411 0.000 2.739 304 S HA 0.656 5.126 4.470 0.001 0.000 0.306 304 S C -0.014 174.649 174.600 0.106 0.000 1.115 304 S CA -0.699 57.656 58.200 0.257 0.000 0.985 304 S CB 1.748 65.094 63.200 0.243 0.000 1.133 304 S HN 0.852 nan 8.310 nan 0.000 0.541 305 Q N 0.391 120.189 119.800 -0.003 0.000 2.337 305 Q HA 0.453 4.793 4.340 0.001 0.000 0.270 305 Q C -0.051 175.677 176.000 -0.454 0.000 1.002 305 Q CA -0.488 55.211 55.803 -0.174 0.000 0.888 305 Q CB 0.523 29.132 28.738 -0.216 0.000 1.222 305 Q HN 0.866 nan 8.270 nan 0.000 0.400 306 A N 4.275 126.687 122.820 -0.680 0.000 2.407 306 A HA 0.086 4.406 4.320 0.001 0.000 0.248 306 A C -0.430 176.897 177.584 -0.429 0.000 1.082 306 A CA -0.329 51.148 52.037 -0.933 0.000 0.785 306 A CB 0.317 18.834 19.000 -0.805 0.000 1.020 306 A HN 0.894 nan 8.150 nan 0.000 0.489 307 H N 3.382 122.329 119.070 -0.205 0.000 2.683 307 H HA 0.138 4.695 4.556 0.001 0.000 0.339 307 H C -1.535 173.717 175.328 -0.127 0.000 1.081 307 H CA -1.201 54.790 56.048 -0.095 0.000 1.432 307 H CB 1.420 31.233 29.762 0.084 0.000 1.462 307 H HN 0.402 nan 8.280 nan 0.000 0.557 308 P HA -0.131 nan 4.420 nan 0.000 0.226 308 P C 1.203 178.635 177.300 0.221 0.000 1.153 308 P CA 0.906 63.868 63.100 -0.230 0.000 0.777 308 P CB 0.136 31.526 31.700 -0.515 0.000 0.794 309 S N -0.804 115.140 115.700 0.406 0.000 2.507 309 S HA -0.074 4.397 4.470 0.001 0.000 0.235 309 S C 1.464 176.255 174.600 0.318 0.000 0.988 309 S CA 0.867 59.322 58.200 0.425 0.000 0.944 309 S CB -1.115 62.352 63.200 0.446 0.000 0.762 309 S HN 0.064 nan 8.310 nan 0.000 0.526 310 M N -1.510 118.225 119.600 0.225 0.000 2.961 310 M HA -0.151 4.330 4.480 0.001 0.000 0.198 310 M C -0.514 175.851 176.300 0.109 0.000 0.610 310 M CA 0.387 55.776 55.300 0.150 0.000 0.755 310 M CB -1.941 30.784 32.600 0.209 0.000 2.707 310 M HN 0.234 nan 8.290 nan 0.000 0.299 311 V N 2.366 122.353 119.914 0.121 0.000 2.583 311 V HA 0.214 4.335 4.120 0.001 0.000 0.287 311 V C 0.686 176.988 176.094 0.346 0.000 1.051 311 V CA -0.147 62.218 62.300 0.108 0.000 1.010 311 V CB 1.303 33.141 31.823 0.026 0.000 0.988 311 V HN 0.212 nan 8.190 nan 0.000 0.478 312 I N 5.143 125.996 120.570 0.472 0.000 2.293 312 I HA 0.094 4.265 4.170 0.001 0.000 0.299 312 I C 0.886 177.154 176.117 0.253 0.000 1.153 312 I CA -0.142 61.266 61.300 0.179 0.000 1.302 312 I CB 0.238 38.226 38.000 -0.019 0.000 1.460 312 I HN 0.760 nan 8.210 nan 0.000 0.552 313 D N 6.053 126.569 120.400 0.193 0.000 2.324 313 D HA -0.077 4.564 4.640 0.001 0.000 0.235 313 D C 1.367 177.701 176.300 0.056 0.000 1.095 313 D CA 0.276 54.399 54.000 0.205 0.000 0.871 313 D CB 0.088 41.027 40.800 0.233 0.000 0.906 313 D HN 0.501 nan 8.370 nan 0.000 0.522 314 L N -1.093 120.028 121.223 -0.170 0.000 2.376 314 L HA 0.062 4.402 4.340 0.001 0.000 0.219 314 L C 0.157 176.667 176.870 -0.601 0.000 1.133 314 L CA 0.522 55.106 54.840 -0.427 0.000 0.816 314 L CB -0.298 41.331 42.059 -0.716 0.000 0.933 314 L HN -0.069 nan 8.230 nan 0.000 0.449 315 F N -0.905 119.037 119.950 -0.014 0.000 2.449 315 F HA 0.215 4.743 4.527 0.001 0.000 0.342 315 F C 1.220 176.958 175.800 -0.104 0.000 1.127 315 F CA -0.841 57.085 58.000 -0.124 0.000 0.975 315 F CB 1.423 40.218 39.000 -0.342 0.000 1.146 315 F HN -0.272 nan 8.300 nan 0.000 0.444 316 E N 3.837 124.065 120.200 0.048 0.000 2.097 316 E HA -0.155 4.195 4.350 0.001 0.000 0.196 316 E C -0.828 175.791 176.600 0.032 0.000 1.000 316 E CA 1.898 58.321 56.400 0.038 0.000 0.804 316 E CB -0.870 28.838 29.700 0.013 0.000 0.740 316 E HN 0.379 nan 8.360 nan 0.000 0.454 317 P HA -0.119 nan 4.420 nan 0.000 0.225 317 P C 0.296 177.639 177.300 0.072 0.000 1.148 317 P CA 0.994 64.066 63.100 -0.047 0.000 0.779 317 P CB -0.041 31.582 31.700 -0.128 0.000 0.780 318 Y N -0.265 120.146 120.300 0.185 0.000 2.517 318 Y HA 0.087 4.637 4.550 0.001 0.000 0.281 318 Y C 1.919 177.928 175.900 0.182 0.000 1.125 318 Y CA -0.010 58.254 58.100 0.274 0.000 1.283 318 Y CB -0.796 37.882 38.460 0.364 0.000 1.042 318 Y HN -0.032 nan 8.280 nan 0.000 0.547 319 K N 0.672 121.237 120.400 0.274 0.000 2.209 319 K HA -0.225 4.095 4.320 0.001 0.000 0.204 319 K C 1.900 178.620 176.600 0.201 0.000 1.048 319 K CA 1.532 57.975 56.287 0.260 0.000 0.940 319 K CB -0.239 32.436 32.500 0.291 0.000 0.729 319 K HN 0.561 nan 8.250 nan 0.000 0.451 320 Q N -0.235 119.593 119.800 0.047 0.000 2.364 320 Q HA -0.168 4.173 4.340 0.001 0.000 0.209 320 Q C 0.662 176.690 176.000 0.046 0.000 0.977 320 Q CA 1.364 57.147 55.803 -0.035 0.000 0.885 320 Q CB -0.211 28.376 28.738 -0.251 0.000 0.941 320 Q HN 0.379 nan 8.270 nan 0.000 0.464 321 Y N 0.629 121.119 120.300 0.318 0.000 2.457 321 Y HA 0.379 4.930 4.550 0.001 0.000 0.263 321 Y C 0.409 176.550 175.900 0.401 0.000 1.164 321 Y CA -0.744 57.602 58.100 0.409 0.000 1.274 321 Y CB 0.527 39.166 38.460 0.297 0.000 1.097 321 Y HN 0.032 nan 8.280 nan 0.000 0.523 322 I N 0.612 121.340 120.570 0.264 0.000 2.336 322 I HA 0.115 4.285 4.170 0.001 0.000 0.292 322 I C -0.184 175.735 176.117 -0.330 0.000 0.991 322 I CA -0.767 60.440 61.300 -0.155 0.000 1.227 322 I CB 1.133 38.686 38.000 -0.745 0.000 1.366 322 I HN -0.132 nan 8.210 nan 0.000 0.466 323 D N 6.024 126.012 120.400 -0.686 0.000 2.470 323 D HA 0.028 4.669 4.640 0.001 0.000 0.226 323 D C 0.663 176.811 176.300 -0.253 0.000 1.196 323 D CA 0.121 53.621 54.000 -0.834 0.000 0.979 323 D CB 0.291 40.327 40.800 -1.272 0.000 1.059 323 D HN 0.334 nan 8.370 nan 0.000 0.515 324 Y N 1.502 121.777 120.300 -0.042 0.000 2.293 324 Y HA -0.123 4.428 4.550 0.001 0.000 0.291 324 Y C 2.167 178.104 175.900 0.061 0.000 1.137 324 Y CA 0.827 58.959 58.100 0.054 0.000 1.202 324 Y CB 0.219 38.709 38.460 0.049 0.000 0.990 324 Y HN 0.359 nan 8.280 nan 0.000 0.537 325 E N -0.188 120.117 120.200 0.175 0.000 2.077 325 E HA -0.184 4.167 4.350 0.001 0.000 0.193 325 E C 2.261 178.910 176.600 0.082 0.000 0.989 325 E CA 0.825 57.295 56.400 0.116 0.000 0.800 325 E CB -0.703 29.052 29.700 0.092 0.000 0.746 325 E HN 0.395 nan 8.360 nan 0.000 0.452 326 L N 0.872 122.128 121.223 0.056 0.000 2.017 326 L HA -0.086 4.254 4.340 0.001 0.000 0.208 326 L C 2.174 179.095 176.870 0.086 0.000 1.073 326 L CA 2.195 57.076 54.840 0.068 0.000 0.745 326 L CB -0.748 41.349 42.059 0.065 0.000 0.894 326 L HN 0.045 nan 8.230 nan 0.000 0.432 327 A N -0.620 122.292 122.820 0.154 0.000 1.898 327 A HA -0.205 4.116 4.320 0.001 0.000 0.216 327 A C 2.332 179.968 177.584 0.087 0.000 1.181 327 A CA 1.872 53.972 52.037 0.104 0.000 0.620 327 A CB -0.516 18.648 19.000 0.273 0.000 0.819 327 A HN 0.506 nan 8.150 nan 0.000 0.442 328 K N -0.333 120.150 120.400 0.139 0.000 2.026 328 K HA -0.179 4.142 4.320 0.001 0.000 0.208 328 K C 2.243 178.867 176.600 0.041 0.000 1.048 328 K CA 1.674 58.028 56.287 0.111 0.000 0.929 328 K CB -0.176 32.396 32.500 0.121 0.000 0.713 328 K HN 0.516 nan 8.250 nan 0.000 0.439 329 K N 0.613 121.020 120.400 0.011 0.000 2.057 329 K HA -0.128 4.193 4.320 0.001 0.000 0.207 329 K C 1.881 178.420 176.600 -0.102 0.000 1.049 329 K CA 1.758 58.031 56.287 -0.024 0.000 0.931 329 K CB 0.017 32.509 32.500 -0.013 0.000 0.714 329 K HN 0.038 nan 8.250 nan 0.000 0.440 330 T N -0.017 114.399 114.554 -0.230 0.000 2.812 330 T HA -0.046 4.305 4.350 0.001 0.000 0.264 330 T C 1.106 175.456 174.700 -0.584 0.000 1.042 330 T CA 1.203 62.992 62.100 -0.518 0.000 1.140 330 T CB -0.108 68.193 68.868 -0.944 0.000 0.870 330 T HN 0.170 nan 8.240 nan 0.000 0.445 331 F N 0.060 119.960 119.950 -0.083 0.000 2.704 331 F HA 0.436 4.964 4.527 0.001 0.000 0.304 331 F C 1.858 177.664 175.800 0.010 0.000 1.094 331 F CA -0.337 57.636 58.000 -0.045 0.000 1.275 331 F CB -0.152 38.729 39.000 -0.198 0.000 1.073 331 F HN 0.252 nan 8.300 nan 0.000 0.586 332 G N 1.432 110.303 108.800 0.119 0.000 2.160 332 G HA2 -0.273 3.687 3.960 0.001 0.000 0.251 332 G HA3 -0.273 3.687 3.960 0.001 0.000 0.251 332 G C 0.299 175.251 174.900 0.087 0.000 1.008 332 G CA 0.577 45.729 45.100 0.086 0.000 0.724 332 G HN 0.500 nan 8.290 nan 0.000 0.514 333 T N -3.509 111.104 114.554 0.098 0.000 2.938 333 T HA 0.704 5.055 4.350 0.001 0.000 0.285 333 T C 0.928 175.671 174.700 0.072 0.000 1.028 333 T CA 0.259 62.402 62.100 0.072 0.000 1.005 333 T CB 2.135 71.032 68.868 0.048 0.000 1.157 333 T HN 0.020 nan 8.240 nan 0.000 0.550 334 E N 0.671 120.905 120.200 0.056 0.000 2.110 334 E HA -0.137 4.213 4.350 0.001 0.000 0.193 334 E C 1.260 177.901 176.600 0.068 0.000 0.988 334 E CA 1.909 58.338 56.400 0.048 0.000 0.804 334 E CB -0.181 29.537 29.700 0.029 0.000 0.745 334 E HN 0.814 nan 8.360 nan 0.000 0.458 335 D N -2.750 117.715 120.400 0.108 0.000 2.433 335 D HA 0.188 4.829 4.640 0.001 0.000 0.211 335 D C 1.102 177.639 176.300 0.395 0.000 1.114 335 D CA 0.601 54.727 54.000 0.209 0.000 0.837 335 D CB 0.294 41.212 40.800 0.197 0.000 0.984 335 D HN 0.233 nan 8.370 nan 0.000 0.505 336 G N 0.719 109.652 108.800 0.221 0.000 2.157 336 G HA2 -0.296 3.664 3.960 0.001 0.000 0.239 336 G HA3 -0.296 3.664 3.960 0.001 0.000 0.239 336 G C 0.172 174.978 174.900 -0.158 0.000 0.982 336 G CA -0.274 44.927 45.100 0.168 0.000 0.650 336 G HN 0.392 nan 8.290 nan 0.000 0.527 337 R N -0.135 120.247 120.500 -0.196 0.000 2.594 337 R HA 0.450 4.790 4.340 0.001 0.000 0.272 337 R C 1.025 176.994 176.300 -0.553 0.000 1.074 337 R CA -0.313 55.515 56.100 -0.454 0.000 1.105 337 R CB 0.542 30.659 30.300 -0.304 0.000 1.008 337 R HN 0.337 nan 8.270 nan 0.000 0.472 338 I N 5.580 125.610 120.570 -0.899 0.000 2.517 338 I HA 0.071 4.242 4.170 0.001 0.000 0.285 338 I C -1.683 174.166 176.117 -0.447 0.000 1.106 338 I CA -1.691 59.071 61.300 -0.896 0.000 1.402 338 I CB 0.521 37.853 38.000 -1.114 0.000 1.399 338 I HN 0.305 nan 8.210 nan 0.000 0.535 339 P HA 0.042 nan 4.420 nan 0.000 0.278 339 P C -0.644 176.835 177.300 0.299 0.000 1.238 339 P CA -0.394 62.766 63.100 0.100 0.000 0.794 339 P CB 0.699 32.495 31.700 0.160 0.000 0.955 340 F N 3.011 123.084 119.950 0.205 0.000 2.494 340 F HA 0.283 4.811 4.527 0.002 0.000 0.369 340 F C -0.152 175.740 175.800 0.153 0.000 1.098 340 F CA -0.077 58.032 58.000 0.183 0.000 1.154 340 F CB -0.401 38.671 39.000 0.119 0.000 1.103 340 F HN 0.144 nan 8.300 nan 0.000 0.549 341 D N 6.790 127.071 120.400 -0.199 0.000 2.337 341 D HA 0.123 4.764 4.640 0.001 0.000 0.238 341 D C 0.487 176.636 176.300 -0.252 0.000 1.331 341 D CA -0.243 53.613 54.000 -0.239 0.000 0.967 341 D CB 0.416 41.218 40.800 0.003 0.000 1.382 341 D HN 0.594 nan 8.370 nan 0.000 0.549 342 L N 1.455 122.430 121.223 -0.413 0.000 2.141 342 L HA -0.087 4.254 4.340 0.001 0.000 0.209 342 L C 1.488 178.269 176.870 -0.149 0.000 1.094 342 L CA 0.789 55.492 54.840 -0.229 0.000 0.763 342 L CB -0.021 41.909 42.059 -0.215 0.000 0.908 342 L HN 0.296 nan 8.230 nan 0.000 0.437 343 D N -0.090 120.215 120.400 -0.158 0.000 2.116 343 D HA -0.253 4.388 4.640 0.001 0.000 0.193 343 D C 2.040 178.254 176.300 -0.142 0.000 0.998 343 D CA 1.447 55.374 54.000 -0.122 0.000 0.836 343 D CB -0.101 40.633 40.800 -0.109 0.000 0.951 343 D HN 0.179 nan 8.370 nan 0.000 0.449 344 M N 0.832 120.307 119.600 -0.207 0.000 2.132 344 M HA 0.002 4.483 4.480 0.001 0.000 0.263 344 M C 1.893 178.018 176.300 -0.291 0.000 1.065 344 M CA 1.378 56.478 55.300 -0.334 0.000 1.122 344 M CB -0.464 31.753 32.600 -0.638 0.000 1.365 344 M HN -0.024 nan 8.290 nan 0.000 0.411 345 A N 0.289 123.003 122.820 -0.176 0.000 1.902 345 A HA -0.184 4.137 4.320 0.001 0.000 0.217 345 A C 2.066 179.627 177.584 -0.039 0.000 1.181 345 A CA 2.042 54.054 52.037 -0.043 0.000 0.623 345 A CB -1.038 17.989 19.000 0.044 0.000 0.818 345 A HN 0.657 nan 8.150 nan 0.000 0.443 346 N N -0.289 118.380 118.700 -0.051 0.000 2.142 346 N HA -0.151 4.590 4.740 0.001 0.000 0.186 346 N C 1.760 177.255 175.510 -0.025 0.000 1.023 346 N CA 1.553 54.586 53.050 -0.028 0.000 0.852 346 N CB -0.307 38.161 38.487 -0.031 0.000 0.998 346 N HN 0.669 nan 8.380 nan 0.000 0.424 347 K N 1.135 121.502 120.400 -0.056 0.000 2.026 347 K HA -0.042 4.278 4.320 0.001 0.000 0.208 347 K C 2.097 178.682 176.600 -0.025 0.000 1.048 347 K CA 0.869 57.127 56.287 -0.048 0.000 0.929 347 K CB -0.115 32.336 32.500 -0.082 0.000 0.713 347 K HN 0.060 nan 8.250 nan 0.000 0.439 348 I N 1.190 121.737 120.570 -0.039 0.000 2.208 348 I HA -0.317 3.853 4.170 0.001 0.000 0.245 348 I C 2.192 178.347 176.117 0.063 0.000 1.097 348 I CA 1.172 62.476 61.300 0.006 0.000 1.363 348 I CB -0.162 37.845 38.000 0.011 0.000 1.051 348 I HN 0.205 nan 8.210 nan 0.000 0.413 349 L N -0.073 121.185 121.223 0.059 0.000 2.056 349 L HA -0.202 4.138 4.340 0.001 0.000 0.207 349 L C 2.171 179.153 176.870 0.186 0.000 1.078 349 L CA 1.099 56.014 54.840 0.125 0.000 0.749 349 L CB -0.653 41.432 42.059 0.044 0.000 0.901 349 L HN 0.231 nan 8.230 nan 0.000 0.433 350 D N 0.317 120.774 120.400 0.095 0.000 2.104 350 D HA -0.196 4.445 4.640 0.001 0.000 0.194 350 D C 2.071 178.406 176.300 0.060 0.000 0.994 350 D CA 1.320 55.362 54.000 0.070 0.000 0.830 350 D CB -0.065 40.753 40.800 0.030 0.000 0.959 350 D HN 0.395 nan 8.370 nan 0.000 0.452 351 E N 0.149 120.380 120.200 0.051 0.000 2.274 351 E HA -0.007 4.343 4.350 0.001 0.000 0.194 351 E C 1.561 178.190 176.600 0.048 0.000 0.996 351 E CA 0.597 57.018 56.400 0.036 0.000 0.840 351 E CB 0.074 29.788 29.700 0.022 0.000 0.772 351 E HN 0.147 nan 8.360 nan 0.000 0.491 352 A N 0.454 123.336 122.820 0.103 0.000 2.278 352 A HA 0.300 4.621 4.320 0.001 0.000 0.212 352 A C 1.534 179.098 177.584 -0.034 0.000 1.213 352 A CA 0.610 52.715 52.037 0.112 0.000 0.840 352 A CB -0.241 18.936 19.000 0.294 0.000 0.866 352 A HN 0.277 nan 8.150 nan 0.000 0.489 353 G N -1.735 107.047 108.800 -0.030 0.000 2.160 353 G HA2 -0.282 3.679 3.960 0.001 0.000 0.244 353 G HA3 -0.282 3.679 3.960 0.001 0.000 0.244 353 G C -0.243 174.520 174.900 -0.229 0.000 1.022 353 G CA 0.218 45.241 45.100 -0.129 0.000 0.741 353 G HN 0.444 nan 8.290 nan 0.000 0.508 354 Y N 0.291 120.598 120.300 0.013 0.000 2.350 354 Y HA 0.559 5.109 4.550 0.001 0.000 0.340 354 Y C 0.742 176.649 175.900 0.010 0.000 1.006 354 Y CA -0.412 57.697 58.100 0.016 0.000 1.166 354 Y CB 1.329 39.804 38.460 0.025 0.000 1.168 354 Y HN 0.094 nan 8.280 nan 0.000 0.502 355 K N 4.592 125.065 120.400 0.122 0.000 2.292 355 K HA 0.331 4.651 4.320 0.001 0.000 0.257 355 K C -0.846 175.795 176.600 0.069 0.000 0.940 355 K CA -0.815 55.515 56.287 0.071 0.000 0.811 355 K CB 0.923 33.440 32.500 0.028 0.000 1.120 355 K HN 0.631 nan 8.250 nan 0.000 0.428 356 K N 1.859 122.291 120.400 0.054 0.000 2.451 356 K HA 0.047 4.367 4.320 0.001 0.000 0.280 356 K C 0.588 177.205 176.600 0.028 0.000 1.020 356 K CA -0.016 56.296 56.287 0.041 0.000 1.008 356 K CB 0.717 33.234 32.500 0.029 0.000 0.917 356 K HN 0.760 nan 8.250 nan 0.000 0.478 357 G N 3.081 111.895 108.800 0.024 0.000 2.535 357 G HA2 0.124 4.085 3.960 0.001 0.000 0.282 357 G HA3 0.124 4.085 3.960 0.001 0.000 0.282 357 G C -1.617 173.287 174.900 0.008 0.000 1.350 357 G CA -1.075 44.033 45.100 0.013 0.000 1.039 357 G HN 0.356 nan 8.290 nan 0.000 0.509 358 P HA -0.044 nan 4.420 nan 0.000 0.218 358 P C 0.946 178.246 177.300 0.001 0.000 1.148 358 P CA 1.471 64.572 63.100 0.001 0.000 0.822 358 P CB 0.110 31.809 31.700 -0.001 0.000 0.784 359 D N -2.133 118.267 120.400 -0.001 0.000 2.328 359 D HA 0.126 4.766 4.640 0.001 0.000 0.226 359 D C 1.386 177.686 176.300 -0.000 0.000 1.066 359 D CA 0.417 54.415 54.000 -0.003 0.000 0.861 359 D CB -0.961 39.834 40.800 -0.009 0.000 0.912 359 D HN 0.210 nan 8.370 nan 0.000 0.521 360 G N -0.614 108.189 108.800 0.004 0.000 2.179 360 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 360 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 360 G C 0.150 175.056 174.900 0.011 0.000 0.977 360 G CA 0.326 45.431 45.100 0.008 0.000 0.641 360 G HN 0.405 nan 8.290 nan 0.000 0.533 361 V N 1.681 121.599 119.914 0.007 0.000 2.465 361 V HA 0.447 4.568 4.120 0.001 0.000 0.279 361 V C 1.191 177.302 176.094 0.028 0.000 1.045 361 V CA -0.735 61.570 62.300 0.008 0.000 0.938 361 V CB 1.374 33.188 31.823 -0.014 0.000 0.986 361 V HN 0.384 nan 8.190 nan 0.000 0.467 362 R N 2.649 123.177 120.500 0.047 0.000 2.543 362 R HA 0.516 4.857 4.340 0.001 0.000 0.277 362 R C -0.980 175.404 176.300 0.141 0.000 1.074 362 R CA -0.278 55.882 56.100 0.100 0.000 1.076 362 R CB 1.034 31.405 30.300 0.118 0.000 0.993 362 R HN 0.523 nan 8.270 nan 0.000 0.459 363 V N 1.792 121.804 119.914 0.163 0.000 2.588 363 V HA 0.395 4.515 4.120 0.001 0.000 0.304 363 V C 0.693 176.865 176.094 0.129 0.000 1.042 363 V CA -0.846 61.541 62.300 0.145 0.000 0.877 363 V CB 1.887 33.745 31.823 0.058 0.000 0.996 363 V HN 0.983 nan 8.190 nan 0.000 0.425 364 G N 3.792 112.643 108.800 0.086 0.000 2.588 364 G HA2 0.444 4.405 3.960 0.001 0.000 0.281 364 G HA3 0.444 4.405 3.960 0.001 0.000 0.281 364 G C -1.710 173.062 174.900 -0.214 0.000 1.236 364 G CA -0.994 43.908 45.100 -0.330 0.000 0.969 364 G HN 0.586 nan 8.290 nan 0.000 0.504 365 P HA -0.029 nan 4.420 nan 0.000 0.218 365 P C 1.082 178.327 177.300 -0.092 0.000 1.149 365 P CA 1.381 64.389 63.100 -0.153 0.000 0.817 365 P CB 0.160 31.764 31.700 -0.160 0.000 0.785 366 D N -1.628 118.724 120.400 -0.081 0.000 2.340 366 D HA 0.098 4.738 4.640 0.001 0.000 0.220 366 D C 1.346 177.633 176.300 -0.022 0.000 1.039 366 D CA 0.504 54.480 54.000 -0.040 0.000 0.866 366 D CB -0.878 39.907 40.800 -0.025 0.000 0.913 366 D HN 0.213 nan 8.370 nan 0.000 0.523 367 G N -0.673 108.112 108.800 -0.024 0.000 2.175 367 G HA2 -0.249 3.712 3.960 0.001 0.000 0.244 367 G HA3 -0.249 3.712 3.960 0.001 0.000 0.244 367 G C 0.316 175.227 174.900 0.018 0.000 0.982 367 G CA 0.192 45.288 45.100 -0.005 0.000 0.641 367 G HN 0.429 nan 8.290 nan 0.000 0.527 368 T N 1.511 116.090 114.554 0.041 0.000 2.799 368 T HA 0.392 4.743 4.350 0.001 0.000 0.296 368 T C 0.471 175.239 174.700 0.113 0.000 0.947 368 T CA 0.430 62.577 62.100 0.079 0.000 1.141 368 T CB 1.422 70.362 68.868 0.120 0.000 0.891 368 T HN 0.461 nan 8.240 nan 0.000 0.533 369 K N 3.331 123.766 120.400 0.059 0.000 2.249 369 K HA 0.272 4.593 4.320 0.001 0.000 0.280 369 K C -0.009 176.603 176.600 0.020 0.000 1.033 369 K CA -0.617 55.692 56.287 0.036 0.000 0.946 369 K CB 0.420 32.904 32.500 -0.027 0.000 1.005 369 K HN 0.540 nan 8.250 nan 0.000 0.469 370 L N 4.595 125.841 121.223 0.038 0.000 2.480 370 L HA 0.288 4.629 4.340 0.001 0.000 0.243 370 L C 0.471 177.219 176.870 -0.204 0.000 1.315 370 L CA -0.212 54.665 54.840 0.061 0.000 1.231 370 L CB -0.474 41.635 42.059 0.084 0.000 1.444 370 L HN 0.947 nan 8.230 nan 0.000 0.409 371 G N 1.613 109.999 108.800 -0.690 0.000 2.361 371 G HA2 0.082 4.043 3.960 0.001 0.000 0.305 371 G HA3 0.082 4.043 3.960 0.001 0.000 0.305 371 G C -3.287 171.295 174.900 -0.531 0.000 1.367 371 G CA -0.931 43.625 45.100 -0.907 0.000 0.951 371 G HN 0.052 nan 8.290 nan 0.000 0.615 372 P HA 0.627 nan 4.420 nan 0.000 0.278 372 P C -1.448 175.598 177.300 -0.423 0.000 1.238 372 P CA -0.129 62.760 63.100 -0.352 0.000 0.794 372 P CB 0.758 32.360 31.700 -0.163 0.000 0.955 373 Y N -0.805 119.482 120.300 -0.021 0.000 2.602 373 Y HA 0.528 5.078 4.550 0.001 0.000 0.342 373 Y C 0.921 176.808 175.900 -0.021 0.000 1.029 373 Y CA -0.676 57.412 58.100 -0.020 0.000 1.080 373 Y CB 1.580 40.032 38.460 -0.013 0.000 1.284 373 Y HN 0.320 nan 8.280 nan 0.000 0.485 374 T N -0.434 114.221 114.554 0.169 0.000 2.918 374 T HA 0.733 5.083 4.350 0.001 0.000 0.286 374 T C -0.910 173.839 174.700 0.082 0.000 1.026 374 T CA -0.689 61.455 62.100 0.074 0.000 1.031 374 T CB 1.676 70.559 68.868 0.026 0.000 1.046 374 T HN 0.646 nan 8.240 nan 0.000 0.479 375 I N 1.732 122.325 120.570 0.038 0.000 2.378 375 I HA 0.632 4.803 4.170 0.001 0.000 0.291 375 I C -0.565 175.583 176.117 0.051 0.000 0.992 375 I CA -0.326 61.012 61.300 0.063 0.000 1.154 375 I CB 1.591 39.625 38.000 0.057 0.000 1.315 375 I HN 0.811 nan 8.210 nan 0.000 0.448 376 S N 6.684 122.469 115.700 0.143 0.000 2.538 376 S HA 0.823 5.293 4.470 0.001 0.000 0.288 376 S C -0.999 173.812 174.600 0.351 0.000 1.108 376 S CA -0.472 57.853 58.200 0.208 0.000 0.971 376 S CB 1.507 64.837 63.200 0.216 0.000 1.041 376 S HN 0.627 nan 8.310 nan 0.000 0.483 377 V N 1.529 121.585 119.914 0.235 0.000 3.160 377 V HA 0.811 4.932 4.120 0.001 0.000 0.310 377 V C -3.103 172.613 176.094 -0.629 0.000 1.181 377 V CA -2.858 59.249 62.300 -0.320 0.000 1.047 377 V CB 1.131 32.992 31.823 0.064 0.000 1.068 377 V HN 0.633 nan 8.190 nan 0.000 0.441 378 P HA 0.161 nan 4.420 nan 0.000 0.268 378 P C -0.932 176.007 177.300 -0.602 0.000 1.205 378 P CA 0.245 62.707 63.100 -1.063 0.000 0.771 378 P CB -0.049 30.487 31.700 -1.941 0.000 0.858 379 Y N 2.870 122.991 120.300 -0.298 0.000 2.811 379 Y HA 0.169 4.720 4.550 0.001 0.000 0.334 379 Y C 1.731 177.513 175.900 -0.197 0.000 1.247 379 Y CA 2.214 60.227 58.100 -0.145 0.000 1.526 379 Y CB -0.308 38.159 38.460 0.011 0.000 1.284 379 Y HN 0.808 nan 8.280 nan 0.000 0.586 380 G N 3.516 111.791 108.800 -0.874 0.000 2.217 380 G HA2 -0.308 3.653 3.960 0.001 0.000 0.246 380 G HA3 -0.308 3.653 3.960 0.001 0.000 0.246 380 G C -0.262 174.424 174.900 -0.355 0.000 0.990 380 G CA 0.027 44.792 45.100 -0.558 0.000 0.627 380 G HN 0.625 nan 8.290 nan 0.000 0.522 381 W N 3.202 124.048 121.300 -0.756 0.000 1.864 381 W HA 0.512 5.172 4.660 0.001 0.000 0.425 381 W C 1.830 178.017 176.519 -0.554 0.000 0.791 381 W CA 0.001 56.909 57.345 -0.730 0.000 1.650 381 W CB -0.700 28.292 29.460 -0.780 0.000 1.791 381 W HN 0.328 nan 8.180 nan 0.000 0.266 382 T N -2.660 111.715 114.554 -0.299 0.000 2.833 382 T HA -0.265 4.086 4.350 0.001 0.000 0.269 382 T C 1.442 175.956 174.700 -0.310 0.000 1.054 382 T CA 1.814 63.743 62.100 -0.284 0.000 1.135 382 T CB -0.047 68.731 68.868 -0.150 0.000 0.869 382 T HN 0.298 nan 8.240 nan 0.000 0.466 383 D N 0.477 120.534 120.400 -0.571 0.000 2.097 383 D HA -0.163 4.478 4.640 0.001 0.000 0.195 383 D C 1.747 178.019 176.300 -0.047 0.000 0.989 383 D CA 0.895 54.553 54.000 -0.570 0.000 0.827 383 D CB -0.950 39.121 40.800 -1.214 0.000 0.966 383 D HN 0.470 nan 8.370 nan 0.000 0.456 384 W N 0.925 122.095 121.300 -0.216 0.000 2.388 384 W HA 0.137 4.798 4.660 0.001 0.000 0.294 384 W C 2.723 179.158 176.519 -0.139 0.000 1.212 384 W CA 0.293 57.584 57.345 -0.090 0.000 1.271 384 W CB -0.806 28.692 29.460 0.065 0.000 1.126 384 W HN 0.001 nan 8.180 nan 0.000 0.535 385 M N -0.817 118.732 119.600 -0.085 0.000 2.080 385 M HA -0.271 4.209 4.480 0.001 0.000 0.260 385 M C 2.341 178.576 176.300 -0.109 0.000 1.068 385 M CA 1.966 57.027 55.300 -0.398 0.000 1.109 385 M CB -0.770 31.286 32.600 -0.906 0.000 1.342 385 M HN -0.059 nan 8.290 nan 0.000 0.405 386 M N 0.083 119.623 119.600 -0.100 0.000 2.117 386 M HA -0.233 4.247 4.480 0.001 0.000 0.262 386 M C 2.151 178.434 176.300 -0.029 0.000 1.065 386 M CA 1.722 56.997 55.300 -0.042 0.000 1.114 386 M CB -0.038 32.534 32.600 -0.046 0.000 1.361 386 M HN 0.242 nan 8.290 nan 0.000 0.408 387 M N -0.738 118.831 119.600 -0.052 0.000 2.108 387 M HA -0.274 4.206 4.480 0.001 0.000 0.261 387 M C 2.302 178.569 176.300 -0.054 0.000 1.066 387 M CA 1.525 56.763 55.300 -0.104 0.000 1.107 387 M CB -0.731 31.753 32.600 -0.194 0.000 1.356 387 M HN 0.481 nan 8.290 nan 0.000 0.406 388 C N 0.476 119.798 119.300 0.037 0.000 2.413 388 C HA -0.116 4.345 4.460 0.001 0.000 0.276 388 C C 2.647 177.693 174.990 0.093 0.000 1.248 388 C CA 0.811 59.892 59.018 0.105 0.000 1.742 388 C CB -0.970 26.949 27.740 0.298 0.000 2.017 388 C HN 0.512 nan 8.230 nan 0.000 0.481 389 E N 0.399 120.670 120.200 0.118 0.000 2.106 389 E HA -0.149 4.202 4.350 0.001 0.000 0.192 389 E C 2.091 178.702 176.600 0.018 0.000 0.984 389 E CA 1.204 57.656 56.400 0.086 0.000 0.806 389 E CB -0.402 29.357 29.700 0.097 0.000 0.750 389 E HN 0.695 nan 8.360 nan 0.000 0.458 390 M N 0.074 119.660 119.600 -0.023 0.000 2.132 390 M HA -0.086 4.395 4.480 0.001 0.000 0.263 390 M C 2.427 178.677 176.300 -0.084 0.000 1.065 390 M CA 1.186 56.444 55.300 -0.070 0.000 1.122 390 M CB -0.304 32.221 32.600 -0.124 0.000 1.365 390 M HN 0.024 nan 8.290 nan 0.000 0.411 391 I N 0.316 120.831 120.570 -0.091 0.000 2.179 391 I HA -0.259 3.911 4.170 0.001 0.000 0.242 391 I C 2.759 178.859 176.117 -0.029 0.000 1.088 391 I CA 1.328 62.575 61.300 -0.088 0.000 1.357 391 I CB -0.614 37.328 38.000 -0.096 0.000 1.051 391 I HN 0.254 nan 8.210 nan 0.000 0.409 392 A N 0.670 123.487 122.820 -0.005 0.000 1.902 392 A HA -0.253 4.067 4.320 0.001 0.000 0.217 392 A C 2.419 180.014 177.584 0.018 0.000 1.181 392 A CA 1.759 53.805 52.037 0.015 0.000 0.623 392 A CB -0.527 18.485 19.000 0.020 0.000 0.818 392 A HN 0.296 nan 8.150 nan 0.000 0.443 393 K N 0.128 120.536 120.400 0.013 0.000 2.057 393 K HA -0.174 4.146 4.320 0.001 0.000 0.207 393 K C 1.554 178.173 176.600 0.032 0.000 1.049 393 K CA 1.708 58.007 56.287 0.020 0.000 0.931 393 K CB -0.477 32.032 32.500 0.014 0.000 0.714 393 K HN 0.494 nan 8.250 nan 0.000 0.440 394 N N 1.199 119.920 118.700 0.036 0.000 2.188 394 N HA -0.122 4.619 4.740 0.001 0.000 0.184 394 N C 2.076 177.626 175.510 0.066 0.000 1.018 394 N CA 0.973 54.070 53.050 0.078 0.000 0.858 394 N CB -0.174 38.389 38.487 0.128 0.000 0.989 394 N HN 0.221 nan 8.380 nan 0.000 0.426 395 L N 1.062 122.312 121.223 0.045 0.000 2.046 395 L HA -0.101 4.240 4.340 0.001 0.000 0.208 395 L C 2.527 179.422 176.870 0.042 0.000 1.077 395 L CA 1.020 55.886 54.840 0.043 0.000 0.747 395 L CB -0.341 41.742 42.059 0.039 0.000 0.896 395 L HN 0.106 nan 8.230 nan 0.000 0.432 396 R N 0.056 120.579 120.500 0.038 0.000 2.105 396 R HA -0.169 4.172 4.340 0.001 0.000 0.239 396 R C 2.576 178.893 176.300 0.027 0.000 1.135 396 R CA 1.766 57.884 56.100 0.030 0.000 0.967 396 R CB -0.524 29.790 30.300 0.024 0.000 0.861 396 R HN 0.485 nan 8.270 nan 0.000 0.442 397 S N 1.283 117.002 115.700 0.033 0.000 2.423 397 S HA -0.096 4.375 4.470 0.001 0.000 0.231 397 S C 1.915 176.530 174.600 0.024 0.000 1.014 397 S CA 1.113 59.331 58.200 0.030 0.000 0.965 397 S CB -0.435 62.789 63.200 0.040 0.000 0.785 397 S HN 0.544 nan 8.310 nan 0.000 0.495 398 I N -2.730 117.855 120.570 0.026 0.000 3.883 398 I HA 0.558 4.728 4.170 0.001 0.000 0.326 398 I C 1.284 177.411 176.117 0.017 0.000 1.283 398 I CA 0.180 61.491 61.300 0.018 0.000 1.161 398 I CB -0.370 37.640 38.000 0.017 0.000 1.012 398 I HN 0.369 nan 8.210 nan 0.000 0.421 399 G N 2.299 111.111 108.800 0.020 0.000 2.131 399 G HA2 -0.183 3.777 3.960 0.001 0.000 0.223 399 G HA3 -0.183 3.777 3.960 0.001 0.000 0.223 399 G C -0.109 174.804 174.900 0.022 0.000 0.990 399 G CA -0.046 45.066 45.100 0.020 0.000 0.671 399 G HN 0.448 nan 8.290 nan 0.000 0.521 400 I N 1.312 121.903 120.570 0.034 0.000 2.328 400 I HA 0.254 4.425 4.170 0.001 0.000 0.287 400 I C -0.248 175.916 176.117 0.079 0.000 1.012 400 I CA -0.734 60.610 61.300 0.074 0.000 1.195 400 I CB 1.459 39.512 38.000 0.088 0.000 1.350 400 I HN 0.046 nan 8.210 nan 0.000 0.464 401 D N 7.294 127.717 120.400 0.039 0.000 2.416 401 D HA 0.220 4.861 4.640 0.001 0.000 0.240 401 D C -0.748 175.578 176.300 0.042 0.000 1.250 401 D CA 0.123 54.123 54.000 0.000 0.000 0.967 401 D CB 0.484 41.240 40.800 -0.073 0.000 1.059 401 D HN 0.091 nan 8.370 nan 0.000 0.512 402 V N 4.787 124.746 119.914 0.075 0.000 2.495 402 V HA 0.455 4.576 4.120 0.001 0.000 0.298 402 V C 0.087 176.202 176.094 0.036 0.000 1.031 402 V CA -0.829 61.529 62.300 0.095 0.000 0.871 402 V CB 1.894 33.781 31.823 0.106 0.000 0.988 402 V HN 0.272 nan 8.190 nan 0.000 0.432 403 K N 2.032 122.441 120.400 0.015 0.000 2.375 403 K HA 0.564 4.884 4.320 0.001 0.000 0.249 403 K C -0.028 176.525 176.600 -0.079 0.000 0.942 403 K CA -0.578 55.692 56.287 -0.028 0.000 0.806 403 K CB 2.223 34.701 32.500 -0.038 0.000 1.227 403 K HN 0.858 nan 8.250 nan 0.000 0.430 404 T N -1.361 113.107 114.554 -0.144 0.000 2.899 404 T HA 0.331 4.682 4.350 0.001 0.000 0.295 404 T C -0.126 174.245 174.700 -0.548 0.000 1.033 404 T CA -0.476 61.411 62.100 -0.355 0.000 1.084 404 T CB 1.246 69.865 68.868 -0.414 0.000 0.979 404 T HN 0.566 nan 8.240 nan 0.000 0.532 405 E N 1.098 120.849 120.200 -0.748 0.000 2.291 405 E HA 0.437 4.788 4.350 0.001 0.000 0.276 405 E C -1.897 174.376 176.600 -0.545 0.000 0.896 405 E CA -0.836 55.233 56.400 -0.551 0.000 0.774 405 E CB 1.168 30.750 29.700 -0.197 0.000 1.227 405 E HN 0.627 nan 8.360 nan 0.000 0.413 406 F N 5.004 124.997 119.950 0.071 0.000 2.564 406 F HA 0.354 4.882 4.527 0.001 0.000 0.361 406 F C -2.166 173.690 175.800 0.094 0.000 1.161 406 F CA -2.101 55.939 58.000 0.068 0.000 1.198 406 F CB 0.718 39.779 39.000 0.103 0.000 1.424 406 F HN 0.174 nan 8.300 nan 0.000 0.517 407 P HA 0.112 nan 4.420 nan 0.000 0.276 407 P C -0.306 177.072 177.300 0.129 0.000 1.261 407 P CA -0.371 62.803 63.100 0.123 0.000 0.800 407 P CB 1.124 32.883 31.700 0.098 0.000 1.066 408 D N -0.472 119.992 120.400 0.107 0.000 2.478 408 D HA -0.122 4.519 4.640 0.001 0.000 0.234 408 D C 1.073 177.472 176.300 0.165 0.000 1.154 408 D CA -0.027 54.065 54.000 0.153 0.000 0.874 408 D CB 0.082 40.966 40.800 0.140 0.000 1.198 408 D HN 0.282 nan 8.370 nan 0.000 0.455 409 F N 2.798 122.784 119.950 0.059 0.000 2.063 409 F HA -0.304 4.224 4.527 0.001 0.000 0.298 409 F C 2.466 178.395 175.800 0.215 0.000 1.105 409 F CA 2.263 60.302 58.000 0.066 0.000 1.215 409 F CB -0.689 38.399 39.000 0.147 0.000 0.972 409 F HN 0.442 nan 8.300 nan 0.000 0.483 410 S N -0.596 115.295 115.700 0.318 0.000 2.370 410 S HA -0.165 4.306 4.470 0.001 0.000 0.226 410 S C 2.046 176.667 174.600 0.035 0.000 1.033 410 S CA 1.532 59.854 58.200 0.204 0.000 1.011 410 S CB -0.698 62.643 63.200 0.233 0.000 0.852 410 S HN 0.236 nan 8.310 nan 0.000 0.457 411 V N 0.104 120.045 119.914 0.045 0.000 2.379 411 V HA -0.099 4.022 4.120 0.001 0.000 0.245 411 V C 1.886 177.946 176.094 -0.056 0.000 1.044 411 V CA 1.777 64.078 62.300 0.001 0.000 1.036 411 V CB -0.853 30.989 31.823 0.033 0.000 0.664 411 V HN 0.789 nan 8.190 nan 0.000 0.453 412 W N 1.335 122.481 121.300 -0.258 0.000 2.335 412 W HA -0.244 4.417 4.660 0.001 0.000 0.311 412 W C 2.438 178.667 176.519 -0.483 0.000 1.213 412 W CA 2.338 59.471 57.345 -0.354 0.000 1.274 412 W CB -0.400 28.809 29.460 -0.418 0.000 1.148 412 W HN 0.179 nan 8.180 nan 0.000 0.498 413 A N -0.197 122.296 122.820 -0.545 0.000 1.933 413 A HA -0.238 4.083 4.320 0.001 0.000 0.218 413 A C 1.667 178.850 177.584 -0.670 0.000 1.175 413 A CA 2.227 53.796 52.037 -0.780 0.000 0.628 413 A CB -1.303 17.460 19.000 -0.396 0.000 0.814 413 A HN 0.462 nan 8.150 nan 0.000 0.444 414 D N -0.681 119.491 120.400 -0.379 0.000 2.104 414 D HA -0.174 4.467 4.640 0.001 0.000 0.194 414 D C 2.173 178.260 176.300 -0.356 0.000 0.994 414 D CA 1.607 55.434 54.000 -0.287 0.000 0.830 414 D CB -0.081 40.636 40.800 -0.139 0.000 0.959 414 D HN 0.453 nan 8.370 nan 0.000 0.452 415 R N -0.467 119.813 120.500 -0.368 0.000 2.092 415 R HA -0.039 4.302 4.340 0.001 0.000 0.231 415 R C 2.436 178.514 176.300 -0.370 0.000 1.119 415 R CA 1.179 57.102 56.100 -0.296 0.000 0.970 415 R CB -0.363 29.809 30.300 -0.213 0.000 0.864 415 R HN 0.360 nan 8.270 nan 0.000 0.440 416 M N 0.948 120.059 119.600 -0.816 0.000 2.059 416 M HA -0.172 4.309 4.480 0.001 0.000 0.259 416 M C 2.151 177.900 176.300 -0.918 0.000 1.072 416 M CA 2.406 57.016 55.300 -1.151 0.000 1.117 416 M CB -0.249 31.151 32.600 -1.999 0.000 1.320 416 M HN 0.206 nan 8.290 nan 0.000 0.408 417 T N -1.739 112.212 114.554 -1.005 0.000 2.867 417 T HA -0.112 4.239 4.350 0.001 0.000 0.268 417 T C 1.580 176.074 174.700 -0.344 0.000 1.057 417 T CA 1.450 63.097 62.100 -0.755 0.000 1.136 417 T CB -0.468 67.798 68.868 -1.003 0.000 0.874 417 T HN 0.492 nan 8.240 nan 0.000 0.466 418 K N 0.839 121.062 120.400 -0.295 0.000 2.444 418 K HA 0.335 4.656 4.320 0.001 0.000 0.193 418 K C 1.305 177.829 176.600 -0.126 0.000 1.024 418 K CA 0.277 56.463 56.287 -0.168 0.000 1.077 418 K CB 0.013 32.425 32.500 -0.147 0.000 0.833 418 K HN 0.518 nan 8.250 nan 0.000 0.517 419 G N 2.308 111.052 108.800 -0.095 0.000 2.246 419 G HA2 -0.274 3.686 3.960 0.001 0.000 0.273 419 G HA3 -0.274 3.686 3.960 0.001 0.000 0.273 419 G C 0.582 175.335 174.900 -0.245 0.000 1.055 419 G CA 0.829 45.855 45.100 -0.123 0.000 0.851 419 G HN 0.420 nan 8.290 nan 0.000 0.500 420 T N -2.265 112.192 114.554 -0.162 0.000 3.054 420 T HA 0.499 4.850 4.350 0.001 0.000 0.255 420 T C 1.064 175.671 174.700 -0.154 0.000 1.035 420 T CA 0.364 62.364 62.100 -0.165 0.000 0.941 420 T CB -0.047 68.758 68.868 -0.105 0.000 1.026 420 T HN 1.194 nan 8.240 nan 0.000 0.533 421 F N 1.471 121.310 119.950 -0.185 0.000 2.435 421 F HA 0.602 5.130 4.527 0.001 0.000 0.316 421 F C 0.621 176.361 175.800 -0.099 0.000 1.220 421 F CA -0.969 56.936 58.000 -0.159 0.000 1.241 421 F CB 0.432 39.290 39.000 -0.238 0.000 1.234 421 F HN -0.253 nan 8.300 nan 0.000 0.569 422 D N 0.469 120.913 120.400 0.072 0.000 2.805 422 D HA 0.202 4.842 4.640 0.001 0.000 0.271 422 D C -0.088 176.294 176.300 0.136 0.000 1.166 422 D CA 0.988 54.965 54.000 -0.039 0.000 1.004 422 D CB 0.004 40.828 40.800 0.042 0.000 1.136 422 D HN 0.263 nan 8.370 nan 0.000 0.444 423 L N 0.879 122.242 121.223 0.234 0.000 2.362 423 L HA 0.501 4.842 4.340 0.001 0.000 0.271 423 L C -0.129 176.871 176.870 0.216 0.000 1.002 423 L CA -0.728 54.257 54.840 0.241 0.000 0.818 423 L CB 2.315 44.426 42.059 0.088 0.000 1.298 423 L HN 0.087 nan 8.230 nan 0.000 0.420 424 I N -1.014 119.625 120.570 0.115 0.000 3.095 424 I HA 0.632 4.803 4.170 0.001 0.000 0.310 424 I C -1.139 175.034 176.117 0.093 0.000 1.196 424 I CA -0.926 60.412 61.300 0.064 0.000 0.985 424 I CB 2.385 40.265 38.000 -0.199 0.000 1.250 424 I HN 0.338 nan 8.210 nan 0.000 0.446 425 I N 2.397 123.023 120.570 0.094 0.000 2.359 425 I HA 0.538 4.709 4.170 0.001 0.000 0.294 425 I C 0.134 176.292 176.117 0.068 0.000 0.987 425 I CA -0.084 61.155 61.300 -0.102 0.000 1.225 425 I CB 1.693 39.392 38.000 -0.502 0.000 1.366 425 I HN 0.705 nan 8.210 nan 0.000 0.466 426 S N 4.597 120.414 115.700 0.194 0.000 2.688 426 S HA 0.543 5.014 4.470 0.001 0.000 0.275 426 S C -1.258 173.733 174.600 0.652 0.000 1.175 426 S CA -0.756 57.751 58.200 0.512 0.000 0.818 426 S CB 0.993 64.288 63.200 0.158 0.000 1.157 426 S HN 0.549 nan 8.310 nan 0.000 0.482 427 W N 1.533 123.333 121.300 0.834 0.000 2.030 427 W HA 0.768 5.428 4.660 0.001 0.000 0.412 427 W C 0.669 177.593 176.519 0.675 0.000 1.715 427 W CA 0.314 58.045 57.345 0.642 0.000 1.895 427 W CB -0.449 29.322 29.460 0.519 0.000 1.381 427 W HN 0.783 nan 8.180 nan 0.000 0.717 428 S N -0.251 115.861 115.700 0.687 0.000 4.274 428 S HA 0.642 5.113 4.470 0.001 0.000 0.171 428 S C 0.001 174.552 174.600 -0.081 0.000 1.154 428 S CA 0.216 58.577 58.200 0.268 0.000 1.145 428 S CB -0.148 63.297 63.200 0.409 0.000 1.986 428 S HN 1.386 nan 8.310 nan 0.000 0.795 429 V N -1.415 118.508 119.914 0.015 0.000 3.165 429 V HA 0.997 5.118 4.120 0.001 0.000 0.309 429 V C 0.155 176.292 176.094 0.072 0.000 1.267 429 V CA -0.152 62.135 62.300 -0.022 0.000 1.067 429 V CB 1.014 32.774 31.823 -0.105 0.000 1.082 429 V HN 1.240 nan 8.190 nan 0.000 0.451 430 G N -0.994 107.823 108.800 0.029 0.000 3.222 430 G HA2 0.784 4.744 3.960 0.001 0.000 0.263 430 G HA3 0.784 4.744 3.960 0.001 0.000 0.263 430 G C -3.235 171.535 174.900 -0.216 0.000 1.312 430 G CA -1.732 43.352 45.100 -0.026 0.000 0.934 430 G HN 0.689 nan 8.290 nan 0.000 0.577 431 P HA 0.368 nan 4.420 nan 0.000 0.266 431 P C -0.371 176.874 177.300 -0.091 0.000 1.195 431 P CA 0.353 63.292 63.100 -0.268 0.000 0.768 431 P CB 1.418 32.953 31.700 -0.274 0.000 0.838 432 S N 1.062 116.747 115.700 -0.025 0.000 2.627 432 S HA 0.292 4.763 4.470 0.001 0.000 0.268 432 S C 0.338 174.925 174.600 -0.021 0.000 1.130 432 S CA -0.601 57.606 58.200 0.012 0.000 0.819 432 S CB -0.128 63.001 63.200 -0.119 0.000 1.100 432 S HN 0.360 nan 8.310 nan 0.000 0.465 433 F N 1.952 121.780 119.950 -0.204 0.000 2.269 433 F HA 0.102 4.630 4.527 0.001 0.000 0.301 433 F C 1.319 176.936 175.800 -0.305 0.000 1.082 433 F CA 1.776 59.692 58.000 -0.140 0.000 1.360 433 F CB -0.243 38.667 39.000 -0.149 0.000 1.041 433 F HN 0.521 nan 8.300 nan 0.000 0.512 434 D N -1.106 118.468 120.400 -1.378 0.000 2.424 434 D HA 0.040 4.681 4.640 0.001 0.000 0.220 434 D C -0.143 175.886 176.300 -0.452 0.000 1.150 434 D CA -0.321 52.895 54.000 -1.307 0.000 0.831 434 D CB -1.471 38.430 40.800 -1.498 0.000 0.981 434 D HN 0.440 nan 8.370 nan 0.000 0.500 435 H N 1.890 120.688 119.070 -0.453 0.000 2.683 435 H HA 0.216 4.772 4.556 0.001 0.000 0.339 435 H C -1.622 173.379 175.328 -0.545 0.000 1.081 435 H CA -1.110 54.630 56.048 -0.514 0.000 1.432 435 H CB 1.533 30.850 29.762 -0.742 0.000 1.462 435 H HN -0.142 nan 8.280 nan 0.000 0.557 436 P HA -0.026 nan 4.420 nan 0.000 0.266 436 P C 1.090 177.813 177.300 -0.963 0.000 1.381 436 P CA 0.030 62.195 63.100 -1.559 0.000 0.940 436 P CB -0.164 30.496 31.700 -1.733 0.000 1.435 437 F N 3.943 123.592 119.950 -0.502 0.000 2.115 437 F HA -0.306 4.221 4.527 0.001 0.000 0.300 437 F C 1.993 177.744 175.800 -0.082 0.000 1.092 437 F CA 2.339 60.332 58.000 -0.012 0.000 1.245 437 F CB -0.615 38.549 39.000 0.273 0.000 0.995 437 F HN -0.052 nan 8.300 nan 0.000 0.481 438 N N 1.251 119.951 118.700 -0.000 0.000 2.104 438 N HA -0.277 4.464 4.740 0.001 0.000 0.190 438 N C 1.902 177.373 175.510 -0.063 0.000 1.024 438 N CA 2.286 55.339 53.050 0.006 0.000 0.853 438 N CB -1.278 37.204 38.487 -0.008 0.000 1.008 438 N HN 0.583 nan 8.380 nan 0.000 0.424 439 I N -0.907 119.554 120.570 -0.181 0.000 2.500 439 I HA -0.164 4.006 4.170 0.001 0.000 0.252 439 I C 1.554 177.616 176.117 -0.092 0.000 1.142 439 I CA 0.661 61.903 61.300 -0.098 0.000 1.451 439 I CB -0.055 37.898 38.000 -0.078 0.000 1.093 439 I HN -0.134 nan 8.210 nan 0.000 0.430 440 Y N 0.620 120.830 120.300 -0.150 0.000 2.181 440 Y HA -0.228 4.323 4.550 0.001 0.000 0.288 440 Y C 2.651 178.430 175.900 -0.202 0.000 1.146 440 Y CA 1.311 59.307 58.100 -0.172 0.000 1.164 440 Y CB -1.117 37.215 38.460 -0.212 0.000 0.982 440 Y HN 0.157 nan 8.280 nan 0.000 0.515 441 R N 0.148 120.526 120.500 -0.203 0.000 2.073 441 R HA -0.191 4.149 4.340 0.001 0.000 0.234 441 R C 2.104 178.404 176.300 0.001 0.000 1.134 441 R CA 1.656 57.659 56.100 -0.160 0.000 0.952 441 R CB -1.339 28.830 30.300 -0.219 0.000 0.850 441 R HN 0.277 nan 8.270 nan 0.000 0.433 442 F N -0.345 119.548 119.950 -0.095 0.000 2.146 442 F HA -0.059 4.468 4.527 0.001 0.000 0.298 442 F C 1.752 177.440 175.800 -0.187 0.000 1.096 442 F CA 1.435 59.364 58.000 -0.119 0.000 1.275 442 F CB 0.009 38.949 39.000 -0.100 0.000 1.008 442 F HN -0.093 nan 8.300 nan 0.000 0.480 443 V N -0.133 119.739 119.914 -0.070 0.000 2.599 443 V HA -0.114 4.006 4.120 0.001 0.000 0.245 443 V C 1.852 177.874 176.094 -0.120 0.000 1.046 443 V CA 1.285 63.478 62.300 -0.179 0.000 1.065 443 V CB -0.083 31.632 31.823 -0.181 0.000 0.703 443 V HN 0.300 nan 8.190 nan 0.000 0.464 444 L N -0.947 120.265 121.223 -0.018 0.000 2.638 444 L HA 0.315 4.655 4.340 0.001 0.000 0.232 444 L C 0.448 177.400 176.870 0.136 0.000 1.099 444 L CA 0.079 54.988 54.840 0.115 0.000 0.883 444 L CB 0.333 42.462 42.059 0.116 0.000 1.136 444 L HN 0.200 nan 8.230 nan 0.000 0.492 445 D N 1.818 122.226 120.400 0.013 0.000 2.380 445 D HA 0.046 4.686 4.640 0.001 0.000 0.230 445 D C 1.178 177.453 176.300 -0.041 0.000 1.154 445 D CA -0.120 53.880 54.000 -0.000 0.000 0.859 445 D CB 1.192 41.998 40.800 0.011 0.000 1.045 445 D HN 0.202 nan 8.370 nan 0.000 0.495 446 K N 3.212 123.581 120.400 -0.051 0.000 2.218 446 K HA -0.182 4.139 4.320 0.001 0.000 0.205 446 K C 1.324 177.880 176.600 -0.073 0.000 1.046 446 K CA 0.828 57.067 56.287 -0.080 0.000 0.933 446 K CB 0.062 32.496 32.500 -0.110 0.000 0.728 446 K HN 0.255 nan 8.250 nan 0.000 0.454 447 R N 0.650 121.116 120.500 -0.056 0.000 2.189 447 R HA 0.044 4.385 4.340 0.001 0.000 0.223 447 R C 2.055 178.329 176.300 -0.043 0.000 1.092 447 R CA 0.953 57.021 56.100 -0.054 0.000 0.989 447 R CB -0.229 30.041 30.300 -0.052 0.000 0.876 447 R HN 0.251 nan 8.270 nan 0.000 0.457 448 L N -0.164 121.029 121.223 -0.049 0.000 2.529 448 L HA 0.095 4.435 4.340 0.001 0.000 0.223 448 L C 1.156 177.964 176.870 -0.102 0.000 1.113 448 L CA -0.152 54.655 54.840 -0.056 0.000 0.861 448 L CB 0.186 42.196 42.059 -0.082 0.000 1.012 448 L HN 0.026 nan 8.230 nan 0.000 0.461 449 S N -0.423 115.210 115.700 -0.112 0.000 2.641 449 S HA 0.337 4.808 4.470 0.001 0.000 0.261 449 S C 0.004 174.565 174.600 -0.066 0.000 1.257 449 S CA -0.264 57.870 58.200 -0.110 0.000 0.983 449 S CB 0.694 63.831 63.200 -0.104 0.000 0.990 449 S HN -0.001 nan 8.310 nan 0.000 0.572 450 K N 0.799 121.165 120.400 -0.057 0.000 2.509 450 K HA 0.503 4.823 4.320 0.001 0.000 0.266 450 K C -2.909 173.662 176.600 -0.048 0.000 0.987 450 K CA -2.175 54.088 56.287 -0.041 0.000 0.868 450 K CB 1.023 33.509 32.500 -0.023 0.000 1.421 450 K HN 0.332 nan 8.250 nan 0.000 0.444 451 P HA 0.015 nan 4.420 nan 0.000 0.268 451 P C -0.285 176.981 177.300 -0.057 0.000 1.208 451 P CA -0.368 62.702 63.100 -0.049 0.000 0.777 451 P CB 0.378 32.054 31.700 -0.040 0.000 0.875 452 V N 2.200 122.073 119.914 -0.068 0.000 2.617 452 V HA 0.202 4.322 4.120 0.001 0.000 0.304 452 V C 1.695 177.749 176.094 -0.067 0.000 1.040 452 V CA 2.137 64.388 62.300 -0.081 0.000 1.149 452 V CB -0.478 31.289 31.823 -0.093 0.000 0.914 452 V HN 1.055 nan 8.190 nan 0.000 0.487 453 G N 3.799 112.556 108.800 -0.072 0.000 2.213 453 G HA2 -0.179 3.782 3.960 0.001 0.000 0.236 453 G HA3 -0.179 3.782 3.960 0.001 0.000 0.236 453 G C 0.007 174.878 174.900 -0.048 0.000 0.991 453 G CA 0.107 45.172 45.100 -0.058 0.000 0.629 453 G HN 0.660 nan 8.290 nan 0.000 0.517 454 E N 0.077 120.248 120.200 -0.047 0.000 2.191 454 E HA 0.546 4.897 4.350 0.001 0.000 0.274 454 E C -0.140 176.432 176.600 -0.046 0.000 0.948 454 E CA -0.898 55.484 56.400 -0.030 0.000 0.802 454 E CB 2.708 32.398 29.700 -0.016 0.000 1.137 454 E HN 0.069 nan 8.360 nan 0.000 0.397 455 V N 2.455 122.350 119.914 -0.031 0.000 2.508 455 V HA 0.118 4.239 4.120 0.001 0.000 0.281 455 V C 0.291 176.367 176.094 -0.030 0.000 1.041 455 V CA 0.429 62.686 62.300 -0.071 0.000 1.016 455 V CB 1.160 32.973 31.823 -0.016 0.000 0.984 455 V HN 0.639 nan 8.190 nan 0.000 0.478 456 T N 4.609 119.115 114.554 -0.080 0.000 2.879 456 T HA 0.408 4.758 4.350 0.001 0.000 0.290 456 T C -0.204 174.528 174.700 0.054 0.000 0.993 456 T CA -0.385 61.725 62.100 0.016 0.000 0.975 456 T CB 0.654 69.517 68.868 -0.008 0.000 0.981 456 T HN 0.656 nan 8.240 nan 0.000 0.439 457 W N 3.003 124.452 121.300 0.248 0.000 3.177 457 W HA 0.395 5.056 4.660 0.001 0.000 0.309 457 W C 2.036 178.707 176.519 0.252 0.000 1.224 457 W CA -0.055 57.523 57.345 0.388 0.000 1.718 457 W CB 0.383 30.053 29.460 0.350 0.000 1.078 457 W HN 0.837 nan 8.180 nan 0.000 0.618 458 A N 0.256 123.232 122.820 0.261 0.000 2.016 458 A HA 0.521 4.842 4.320 0.001 0.000 0.217 458 A C 1.207 178.684 177.584 -0.178 0.000 1.162 458 A CA 1.461 53.604 52.037 0.176 0.000 0.662 458 A CB -0.415 18.682 19.000 0.161 0.000 0.812 458 A HN 0.184 nan 8.150 nan 0.000 0.450 459 G N -2.070 106.324 108.800 -0.676 0.000 2.356 459 G HA2 0.371 4.331 3.960 0.001 0.000 0.300 459 G HA3 0.371 4.331 3.960 0.001 0.000 0.300 459 G C -0.890 173.389 174.900 -1.034 0.000 1.331 459 G CA 0.152 44.378 45.100 -1.456 0.000 0.905 459 G HN 0.485 nan 8.290 nan 0.000 0.587 460 D N -1.101 118.710 120.400 -0.983 0.000 2.697 460 D HA -0.139 4.501 4.640 0.001 0.000 0.238 460 D C 0.993 177.090 176.300 -0.339 0.000 1.152 460 D CA 1.251 54.965 54.000 -0.476 0.000 0.666 460 D CB -0.718 39.933 40.800 -0.250 0.000 1.037 460 D HN 0.521 nan 8.370 nan 0.000 0.423 461 W N 0.612 121.661 121.300 -0.417 0.000 2.364 461 W HA -0.129 4.531 4.660 0.001 0.000 0.281 461 W C 2.157 178.628 176.519 -0.081 0.000 1.219 461 W CA 1.251 58.384 57.345 -0.353 0.000 1.220 461 W CB -0.649 28.413 29.460 -0.664 0.000 1.127 461 W HN 0.505 nan 8.180 nan 0.000 0.556 462 E N 0.812 121.126 120.200 0.190 0.000 2.502 462 E HA -0.133 4.218 4.350 0.001 0.000 0.194 462 E C 0.370 177.012 176.600 0.070 0.000 1.062 462 E CA 0.429 56.969 56.400 0.233 0.000 0.867 462 E CB -0.436 29.455 29.700 0.318 0.000 0.888 462 E HN -0.031 nan 8.360 nan 0.000 0.510 463 R N -0.047 120.473 120.500 0.032 0.000 3.416 463 R HA -0.235 4.106 4.340 0.001 0.000 0.263 463 R C -0.718 175.606 176.300 0.039 0.000 1.053 463 R CA 0.717 56.813 56.100 -0.007 0.000 0.705 463 R CB -3.286 26.981 30.300 -0.056 0.000 1.124 463 R HN 0.416 nan 8.270 nan 0.000 0.444 464 Y N 0.877 121.149 120.300 -0.046 0.000 2.511 464 Y HA 0.263 4.814 4.550 0.001 0.000 0.332 464 Y C 0.231 176.103 175.900 -0.047 0.000 1.177 464 Y CA -0.443 57.636 58.100 -0.036 0.000 1.422 464 Y CB 0.689 39.136 38.460 -0.022 0.000 1.271 464 Y HN 0.169 nan 8.280 nan 0.000 0.550 465 D N 6.018 126.032 120.400 -0.643 0.000 2.473 465 D HA 0.173 4.813 4.640 0.001 0.000 0.253 465 D C -1.873 174.027 176.300 -0.667 0.000 1.233 465 D CA -0.343 53.355 54.000 -0.503 0.000 0.908 465 D CB 0.349 40.996 40.800 -0.256 0.000 1.170 465 D HN 0.743 nan 8.370 nan 0.000 0.558 466 N N 3.713 122.053 118.700 -0.601 0.000 2.519 466 N HA 0.105 4.846 4.740 0.001 0.000 0.291 466 N C -0.182 175.223 175.510 -0.176 0.000 1.107 466 N CA -0.306 52.514 53.050 -0.384 0.000 0.904 466 N CB 1.745 39.994 38.487 -0.397 0.000 1.500 466 N HN 0.217 nan 8.380 nan 0.000 0.510 467 D N 1.809 122.138 120.400 -0.118 0.000 2.234 467 D HA -0.121 4.520 4.640 0.001 0.000 0.205 467 D C 1.151 177.428 176.300 -0.038 0.000 0.962 467 D CA 0.822 54.779 54.000 -0.071 0.000 0.855 467 D CB 0.609 41.371 40.800 -0.063 0.000 0.951 467 D HN 0.725 nan 8.370 nan 0.000 0.500 468 E N 0.884 121.066 120.200 -0.031 0.000 2.077 468 E HA -0.134 4.217 4.350 0.001 0.000 0.193 468 E C 2.140 178.743 176.600 0.004 0.000 0.989 468 E CA 0.610 57.004 56.400 -0.009 0.000 0.800 468 E CB 0.239 29.937 29.700 -0.004 0.000 0.746 468 E HN -0.047 nan 8.360 nan 0.000 0.452 469 V N 0.588 120.508 119.914 0.010 0.000 2.332 469 V HA -0.276 3.845 4.120 0.001 0.000 0.248 469 V C 2.440 178.556 176.094 0.037 0.000 1.055 469 V CA 1.537 63.853 62.300 0.027 0.000 1.038 469 V CB -0.378 31.489 31.823 0.073 0.000 0.651 469 V HN 0.219 nan 8.190 nan 0.000 0.450 470 V N -0.069 119.860 119.914 0.024 0.000 2.282 470 V HA -0.332 3.789 4.120 0.001 0.000 0.249 470 V C 2.408 178.541 176.094 0.065 0.000 1.057 470 V CA 2.394 64.720 62.300 0.043 0.000 1.032 470 V CB -0.733 31.090 31.823 0.001 0.000 0.645 470 V HN 0.637 nan 8.190 nan 0.000 0.447 471 E N -0.109 120.113 120.200 0.036 0.000 2.085 471 E HA -0.212 4.139 4.350 0.001 0.000 0.194 471 E C 2.190 178.824 176.600 0.058 0.000 0.994 471 E CA 1.320 57.743 56.400 0.038 0.000 0.801 471 E CB -0.240 29.468 29.700 0.014 0.000 0.743 471 E HN 0.508 nan 8.360 nan 0.000 0.453 472 L N 0.449 121.704 121.223 0.054 0.000 2.056 472 L HA -0.171 4.170 4.340 0.001 0.000 0.207 472 L C 2.352 179.296 176.870 0.123 0.000 1.078 472 L CA 0.820 55.694 54.840 0.058 0.000 0.749 472 L CB -0.254 41.821 42.059 0.028 0.000 0.901 472 L HN 0.153 nan 8.230 nan 0.000 0.433 473 L N -0.658 120.672 121.223 0.178 0.000 2.093 473 L HA -0.199 4.142 4.340 0.001 0.000 0.208 473 L C 2.006 179.117 176.870 0.401 0.000 1.085 473 L CA 0.871 55.923 54.840 0.353 0.000 0.755 473 L CB -0.556 41.686 42.059 0.306 0.000 0.904 473 L HN 0.250 nan 8.230 nan 0.000 0.435 474 D N 0.367 120.945 120.400 0.298 0.000 2.264 474 D HA -0.150 4.491 4.640 0.001 0.000 0.208 474 D C 1.965 178.349 176.300 0.140 0.000 0.966 474 D CA 1.100 55.270 54.000 0.284 0.000 0.864 474 D CB 0.120 41.025 40.800 0.175 0.000 0.933 474 D HN 0.512 nan 8.370 nan 0.000 0.499 475 K N -0.471 119.979 120.400 0.083 0.000 2.367 475 K HA 0.373 4.693 4.320 0.001 0.000 0.195 475 K C 1.899 178.475 176.600 -0.039 0.000 1.060 475 K CA 0.281 56.574 56.287 0.011 0.000 1.022 475 K CB 0.353 32.854 32.500 0.001 0.000 0.894 475 K HN -0.100 nan 8.250 nan 0.000 0.540 476 A N 1.592 124.403 122.820 -0.015 0.000 1.978 476 A HA -0.046 4.275 4.320 0.001 0.000 0.220 476 A C 1.523 178.964 177.584 -0.238 0.000 1.170 476 A CA 1.536 53.511 52.037 -0.103 0.000 0.636 476 A CB -0.269 18.759 19.000 0.048 0.000 0.810 476 A HN 0.145 nan 8.150 nan 0.000 0.448 477 V N -0.836 118.914 119.914 -0.273 0.000 2.778 477 V HA 0.165 4.285 4.120 0.001 0.000 0.356 477 V C 0.992 176.967 176.094 -0.197 0.000 1.283 477 V CA 0.329 62.402 62.300 -0.380 0.000 1.247 477 V CB 0.088 31.465 31.823 -0.743 0.000 1.408 477 V HN 0.333 nan 8.190 nan 0.000 0.620 478 S N 1.279 116.902 115.700 -0.128 0.000 2.489 478 S HA 0.022 4.493 4.470 0.001 0.000 0.228 478 S C 1.114 175.745 174.600 0.051 0.000 0.995 478 S CA 1.210 59.356 58.200 -0.091 0.000 0.934 478 S CB 0.130 63.290 63.200 -0.068 0.000 0.771 478 S HN 0.871 nan 8.310 nan 0.000 0.522 479 T N -1.754 112.833 114.554 0.055 0.000 2.883 479 T HA 0.600 4.950 4.350 0.001 0.000 0.296 479 T C 0.239 174.930 174.700 -0.014 0.000 1.117 479 T CA -0.790 61.367 62.100 0.094 0.000 1.006 479 T CB 1.138 70.015 68.868 0.014 0.000 1.191 479 T HN -0.041 nan 8.240 nan 0.000 0.508 480 L N 0.332 121.502 121.223 -0.087 0.000 2.611 480 L HA 0.270 4.611 4.340 0.001 0.000 0.229 480 L C 0.689 177.479 176.870 -0.134 0.000 1.137 480 L CA -0.174 54.564 54.840 -0.170 0.000 0.901 480 L CB -0.223 41.694 42.059 -0.237 0.000 1.098 480 L HN 0.704 nan 8.230 nan 0.000 0.456 481 D N 1.365 121.706 120.400 -0.098 0.000 2.382 481 D HA 0.029 4.669 4.640 0.001 0.000 0.259 481 D C -1.529 174.726 176.300 -0.075 0.000 1.224 481 D CA -1.800 52.155 54.000 -0.074 0.000 0.894 481 D CB 1.451 42.214 40.800 -0.062 0.000 1.127 481 D HN -0.075 nan 8.370 nan 0.000 0.487 482 P HA -0.117 nan 4.420 nan 0.000 0.222 482 P C 0.911 178.208 177.300 -0.006 0.000 1.147 482 P CA 0.734 63.852 63.100 0.031 0.000 0.790 482 P CB 0.371 32.119 31.700 0.080 0.000 0.780 483 E N -0.451 119.717 120.200 -0.053 0.000 2.152 483 E HA -0.092 4.259 4.350 0.001 0.000 0.192 483 E C 1.796 178.314 176.600 -0.136 0.000 0.983 483 E CA 0.688 57.032 56.400 -0.092 0.000 0.818 483 E CB -0.989 28.666 29.700 -0.076 0.000 0.758 483 E HN -0.081 nan 8.360 nan 0.000 0.467 484 V N 0.648 120.486 119.914 -0.128 0.000 2.261 484 V HA -0.255 3.865 4.120 0.001 0.000 0.246 484 V C 2.549 178.503 176.094 -0.233 0.000 1.047 484 V CA 2.188 64.399 62.300 -0.149 0.000 1.015 484 V CB -0.546 31.201 31.823 -0.127 0.000 0.642 484 V HN 0.263 nan 8.190 nan 0.000 0.446 485 R N 0.168 120.493 120.500 -0.291 0.000 2.097 485 R HA -0.263 4.077 4.340 0.001 0.000 0.236 485 R C 2.496 178.367 176.300 -0.714 0.000 1.135 485 R CA 2.429 58.200 56.100 -0.549 0.000 0.934 485 R CB -0.359 29.694 30.300 -0.413 0.000 0.846 485 R HN 0.470 nan 8.270 nan 0.000 0.431 486 K N -0.212 119.998 120.400 -0.316 0.000 2.032 486 K HA -0.206 4.114 4.320 0.001 0.000 0.209 486 K C 2.145 178.501 176.600 -0.406 0.000 1.048 486 K CA 1.695 57.855 56.287 -0.212 0.000 0.927 486 K CB 0.052 32.428 32.500 -0.206 0.000 0.712 486 K HN 0.178 nan 8.250 nan 0.000 0.441 487 Q N -0.116 119.474 119.800 -0.350 0.000 2.170 487 Q HA -0.096 4.245 4.340 0.001 0.000 0.203 487 Q C 2.024 177.980 176.000 -0.073 0.000 0.976 487 Q CA 1.485 57.151 55.803 -0.228 0.000 0.858 487 Q CB -0.287 28.361 28.738 -0.149 0.000 0.907 487 Q HN 0.432 nan 8.270 nan 0.000 0.433 488 A N 0.043 122.783 122.820 -0.133 0.000 1.898 488 A HA -0.175 4.145 4.320 0.001 0.000 0.216 488 A C 1.806 179.430 177.584 0.065 0.000 1.181 488 A CA 1.122 53.121 52.037 -0.063 0.000 0.620 488 A CB -0.740 18.188 19.000 -0.119 0.000 0.819 488 A HN 0.275 nan 8.150 nan 0.000 0.442 489 Y N -1.051 119.301 120.300 0.087 0.000 2.165 489 Y HA -0.163 4.388 4.550 0.001 0.000 0.286 489 Y C 2.209 178.228 175.900 0.199 0.000 1.155 489 Y CA 0.488 58.674 58.100 0.143 0.000 1.164 489 Y CB -1.207 37.456 38.460 0.338 0.000 0.978 489 Y HN 0.320 nan 8.280 nan 0.000 0.513 490 F N 0.091 120.124 119.950 0.138 0.000 2.134 490 F HA -0.168 4.359 4.527 0.001 0.000 0.299 490 F C 2.580 178.364 175.800 -0.027 0.000 1.097 490 F CA 1.479 59.515 58.000 0.061 0.000 1.264 490 F CB -0.900 38.144 39.000 0.073 0.000 1.001 490 F HN -0.027 nan 8.300 nan 0.000 0.479 491 R N 0.905 121.503 120.500 0.162 0.000 2.092 491 R HA -0.066 4.275 4.340 0.001 0.000 0.231 491 R C 2.072 178.334 176.300 -0.063 0.000 1.119 491 R CA 1.341 57.464 56.100 0.037 0.000 0.970 491 R CB -0.996 29.322 30.300 0.031 0.000 0.864 491 R HN 0.329 nan 8.270 nan 0.000 0.440 492 I N 0.546 121.047 120.570 -0.116 0.000 2.264 492 I HA -0.315 3.856 4.170 0.001 0.000 0.248 492 I C 2.234 178.141 176.117 -0.350 0.000 1.111 492 I CA 1.539 62.671 61.300 -0.279 0.000 1.382 492 I CB -0.277 37.391 38.000 -0.552 0.000 1.060 492 I HN 0.327 nan 8.210 nan 0.000 0.418 493 Q N 0.239 119.838 119.800 -0.335 0.000 2.084 493 Q HA -0.256 4.085 4.340 0.001 0.000 0.202 493 Q C 2.248 177.795 176.000 -0.756 0.000 0.978 493 Q CA 1.437 56.917 55.803 -0.538 0.000 0.844 493 Q CB -0.116 28.396 28.738 -0.377 0.000 0.898 493 Q HN 0.559 nan 8.270 nan 0.000 0.426 494 Q N 0.194 119.772 119.800 -0.371 0.000 2.096 494 Q HA -0.162 4.178 4.340 0.001 0.000 0.204 494 Q C 2.026 177.925 176.000 -0.168 0.000 0.982 494 Q CA 1.185 56.858 55.803 -0.216 0.000 0.850 494 Q CB -0.111 28.584 28.738 -0.071 0.000 0.901 494 Q HN 0.436 nan 8.270 nan 0.000 0.422 495 I N 0.265 120.742 120.570 -0.154 0.000 2.252 495 I HA -0.260 3.911 4.170 0.001 0.000 0.245 495 I C 2.120 178.188 176.117 -0.082 0.000 1.102 495 I CA 0.961 62.220 61.300 -0.069 0.000 1.385 495 I CB -0.193 37.788 38.000 -0.032 0.000 1.064 495 I HN 0.202 nan 8.210 nan 0.000 0.414 496 I N -0.036 120.416 120.570 -0.197 0.000 2.163 496 I HA -0.331 3.840 4.170 0.001 0.000 0.243 496 I C 2.401 178.555 176.117 0.062 0.000 1.085 496 I CA 1.622 62.842 61.300 -0.133 0.000 1.347 496 I CB -0.471 37.428 38.000 -0.167 0.000 1.044 496 I HN 0.171 nan 8.210 nan 0.000 0.408 497 Y N 0.361 120.693 120.300 0.054 0.000 2.352 497 Y HA -0.120 4.431 4.550 0.001 0.000 0.292 497 Y C 2.586 178.517 175.900 0.052 0.000 1.136 497 Y CA 0.676 58.830 58.100 0.091 0.000 1.227 497 Y CB -0.996 37.470 38.460 0.011 0.000 0.991 497 Y HN 0.137 nan 8.280 nan 0.000 0.545 498 R N 0.284 120.874 120.500 0.150 0.000 2.073 498 R HA -0.114 4.227 4.340 0.001 0.000 0.229 498 R C 0.782 177.145 176.300 0.106 0.000 1.120 498 R CA 1.814 57.977 56.100 0.105 0.000 0.967 498 R CB 0.010 30.350 30.300 0.068 0.000 0.862 498 R HN 0.175 nan 8.270 nan 0.000 0.436 499 D N -0.230 120.225 120.400 0.091 0.000 2.392 499 D HA -0.004 4.636 4.640 0.001 0.000 0.206 499 D C 0.303 176.633 176.300 0.051 0.000 1.046 499 D CA 0.033 54.089 54.000 0.093 0.000 0.865 499 D CB 0.237 41.122 40.800 0.143 0.000 0.969 499 D HN 0.016 nan 8.370 nan 0.000 0.509 500 M N 0.835 120.466 119.600 0.051 0.000 2.351 500 M HA -0.177 4.303 4.480 0.001 0.000 0.181 500 M C -2.028 174.249 176.300 -0.038 0.000 0.852 500 M CA -0.190 55.134 55.300 0.040 0.000 0.520 500 M CB -0.462 32.189 32.600 0.085 0.000 1.076 500 M HN -0.095 nan 8.290 nan 0.000 0.881 501 P HA -0.015 nan 4.420 nan 0.000 0.216 501 P C -0.051 177.196 177.300 -0.088 0.000 1.150 501 P CA 1.163 64.066 63.100 -0.328 0.000 0.837 501 P CB 0.353 31.485 31.700 -0.946 0.000 0.786 502 S N -2.371 113.311 115.700 -0.029 0.000 2.636 502 S HA 0.472 4.943 4.470 0.001 0.000 0.268 502 S C -1.237 173.449 174.600 0.143 0.000 1.159 502 S CA -0.603 57.634 58.200 0.062 0.000 0.815 502 S CB 0.871 64.086 63.200 0.025 0.000 1.130 502 S HN -0.202 nan 8.310 nan 0.000 0.471 503 I N 2.752 123.399 120.570 0.128 0.000 2.354 503 I HA 0.342 4.513 4.170 0.001 0.000 0.286 503 I C -2.600 173.366 176.117 -0.253 0.000 1.007 503 I CA -2.261 59.033 61.300 -0.011 0.000 1.167 503 I CB 1.666 39.646 38.000 -0.033 0.000 1.320 503 I HN 0.250 nan 8.210 nan 0.000 0.458 504 P HA 0.129 nan 4.420 nan 0.000 0.271 504 P C -0.003 176.951 177.300 -0.577 0.000 1.233 504 P CA 0.089 62.536 63.100 -1.089 0.000 0.764 504 P CB 1.459 32.685 31.700 -0.789 0.000 0.825 505 A N 4.219 126.724 122.820 -0.526 0.000 1.988 505 A HA 0.489 4.810 4.320 0.001 0.000 0.201 505 A C 0.225 177.779 177.584 -0.050 0.000 1.410 505 A CA 0.647 52.620 52.037 -0.106 0.000 0.832 505 A CB -0.118 18.909 19.000 0.045 0.000 0.981 505 A HN 0.551 nan 8.150 nan 0.000 0.492 506 F N -4.129 115.607 119.950 -0.356 0.000 2.686 506 F HA 0.723 5.250 4.527 0.001 0.000 0.311 506 F C -1.508 174.126 175.800 -0.276 0.000 1.128 506 F CA -1.866 55.925 58.000 -0.349 0.000 0.946 506 F CB 0.617 39.457 39.000 -0.265 0.000 1.336 506 F HN -0.049 nan 8.300 nan 0.000 0.457 507 Y N 1.352 121.749 120.300 0.162 0.000 2.452 507 Y HA 0.376 4.927 4.550 0.001 0.000 0.348 507 Y C 0.805 176.887 175.900 0.303 0.000 0.985 507 Y CA -1.195 56.986 58.100 0.135 0.000 1.214 507 Y CB 0.379 38.939 38.460 0.166 0.000 1.136 507 Y HN 0.724 nan 8.280 nan 0.000 0.523 508 T N 0.155 114.905 114.554 0.327 0.000 2.930 508 T HA 0.502 4.853 4.350 0.001 0.000 0.306 508 T C 0.452 175.315 174.700 0.272 0.000 1.045 508 T CA -0.807 61.544 62.100 0.418 0.000 1.134 508 T CB 0.838 69.902 68.868 0.327 0.000 0.961 508 T HN 0.764 nan 8.240 nan 0.000 0.545 509 A N 1.906 124.731 122.820 0.009 0.000 2.401 509 A HA 0.286 4.606 4.320 0.001 0.000 0.259 509 A C 0.247 177.553 177.584 -0.462 0.000 1.103 509 A CA -0.580 51.210 52.037 -0.412 0.000 0.789 509 A CB -0.410 17.836 19.000 -1.257 0.000 1.035 509 A HN 1.036 nan 8.150 nan 0.000 0.491 510 H N 2.353 121.314 119.070 -0.183 0.000 3.198 510 H HA 0.211 4.768 4.556 0.001 0.000 0.255 510 H C -0.599 174.717 175.328 -0.021 0.000 1.729 510 H CA -0.118 55.879 56.048 -0.085 0.000 1.495 510 H CB -0.568 29.065 29.762 -0.215 0.000 1.807 510 H HN 0.651 nan 8.280 nan 0.000 0.554 511 W N 4.457 125.783 121.300 0.043 0.000 2.385 511 W HA 0.042 4.703 4.660 0.001 0.000 0.336 511 W C -0.445 176.041 176.519 -0.055 0.000 1.351 511 W CA -0.244 57.020 57.345 -0.135 0.000 1.295 511 W CB 0.087 29.528 29.460 -0.032 0.000 1.239 511 W HN 0.503 nan 8.180 nan 0.000 0.565 512 Y N 3.059 123.555 120.300 0.327 0.000 2.275 512 Y HA 0.294 4.844 4.550 0.001 0.000 0.319 512 Y C -1.370 174.657 175.900 0.212 0.000 1.204 512 Y CA -1.475 56.731 58.100 0.177 0.000 1.136 512 Y CB 0.557 39.160 38.460 0.238 0.000 1.228 512 Y HN 0.492 nan 8.280 nan 0.000 0.413 513 E N 4.985 124.954 120.200 -0.386 0.000 2.340 513 E HA 0.585 4.936 4.350 0.001 0.000 0.273 513 E C -1.728 174.518 176.600 -0.590 0.000 0.891 513 E CA -0.811 55.247 56.400 -0.570 0.000 0.757 513 E CB 2.341 31.755 29.700 -0.477 0.000 1.231 513 E HN 0.463 nan 8.360 nan 0.000 0.439 514 Y N -1.502 118.517 120.300 -0.468 0.000 2.581 514 Y HA 0.806 5.357 4.550 0.001 0.000 0.345 514 Y C -0.386 175.386 175.900 -0.212 0.000 1.036 514 Y CA -1.360 56.347 58.100 -0.656 0.000 1.042 514 Y CB 1.596 39.123 38.460 -1.555 0.000 1.289 514 Y HN 0.360 nan 8.280 nan 0.000 0.471 515 S N 0.104 115.832 115.700 0.047 0.000 2.475 515 S HA 0.416 4.887 4.470 0.001 0.000 0.298 515 S C 0.353 175.139 174.600 0.310 0.000 1.119 515 S CA -0.037 58.224 58.200 0.101 0.000 1.085 515 S CB 0.801 64.057 63.200 0.094 0.000 1.028 515 S HN 1.013 nan 8.310 nan 0.000 0.489 516 T N 1.570 116.270 114.554 0.244 0.000 3.186 516 T HA 0.269 4.620 4.350 0.001 0.000 0.257 516 T C 1.201 175.975 174.700 0.124 0.000 1.029 516 T CA -0.212 62.067 62.100 0.299 0.000 0.916 516 T CB -0.061 68.943 68.868 0.227 0.000 1.041 516 T HN 0.641 nan 8.240 nan 0.000 0.562 517 K N 0.280 120.704 120.400 0.039 0.000 2.057 517 K HA -0.068 4.253 4.320 0.001 0.000 0.206 517 K C 0.833 177.182 176.600 -0.420 0.000 1.050 517 K CA 1.503 57.644 56.287 -0.245 0.000 0.935 517 K CB -0.033 32.249 32.500 -0.364 0.000 0.715 517 K HN 0.509 nan 8.250 nan 0.000 0.439 518 Y N -2.697 117.638 120.300 0.057 0.000 2.467 518 Y HA 0.231 4.782 4.550 0.001 0.000 0.259 518 Y C -0.301 175.325 175.900 -0.457 0.000 1.084 518 Y CA -0.586 57.393 58.100 -0.202 0.000 1.275 518 Y CB 0.597 38.925 38.460 -0.220 0.000 1.208 518 Y HN -0.024 nan 8.280 nan 0.000 0.511 519 W N 1.795 123.272 121.300 0.295 0.000 2.785 519 W HA 0.648 5.308 4.660 0.001 0.000 0.333 519 W C -0.490 176.074 176.519 0.075 0.000 1.062 519 W CA -1.053 56.371 57.345 0.131 0.000 1.233 519 W CB 1.488 31.048 29.460 0.167 0.000 1.413 519 W HN -0.291 nan 8.180 nan 0.000 0.489 520 I N -0.356 120.231 120.570 0.029 0.000 3.206 520 I HA 0.599 4.769 4.170 0.001 0.000 0.313 520 I C 0.032 175.982 176.117 -0.280 0.000 1.103 520 I CA -1.191 60.076 61.300 -0.054 0.000 0.985 520 I CB 1.962 39.950 38.000 -0.021 0.000 1.240 520 I HN 0.581 nan 8.210 nan 0.000 0.464 521 N N 0.400 118.989 118.700 -0.184 0.000 2.776 521 N HA -0.195 4.546 4.740 0.001 0.000 0.250 521 N C -1.250 174.090 175.510 -0.284 0.000 1.112 521 N CA 0.840 53.765 53.050 -0.209 0.000 0.733 521 N CB -1.523 36.853 38.487 -0.185 0.000 1.097 521 N HN 0.741 nan 8.380 nan 0.000 0.558 522 W N 1.400 122.530 121.300 -0.283 0.000 2.314 522 W HA 0.125 4.785 4.660 0.001 0.000 0.339 522 W C -1.461 174.877 176.519 -0.302 0.000 1.293 522 W CA -0.765 56.358 57.345 -0.369 0.000 1.288 522 W CB -0.155 28.791 29.460 -0.858 0.000 1.186 522 W HN 0.026 nan 8.180 nan 0.000 0.566 523 P HA 0.037 nan 4.420 nan 0.000 0.267 523 P C -0.232 177.015 177.300 -0.088 0.000 1.200 523 P CA 0.450 63.583 63.100 0.055 0.000 0.772 523 P CB 0.960 32.823 31.700 0.271 0.000 0.855 524 S N 0.034 115.333 115.700 -0.669 0.000 2.683 524 S HA 0.171 4.641 4.470 0.001 0.000 0.269 524 S C 0.999 174.627 174.600 -1.620 0.000 1.165 524 S CA -0.623 56.893 58.200 -1.140 0.000 0.840 524 S CB 0.565 63.532 63.200 -0.388 0.000 1.169 524 S HN 0.463 nan 8.310 nan 0.000 0.490 525 E N 0.466 119.829 120.200 -1.395 0.000 2.153 525 E HA -0.188 4.162 4.350 0.001 0.000 0.194 525 E C 0.382 176.792 176.600 -0.316 0.000 0.988 525 E CA 1.596 57.596 56.400 -0.666 0.000 0.811 525 E CB -0.535 29.057 29.700 -0.180 0.000 0.746 525 E HN 0.596 nan 8.360 nan 0.000 0.466 526 D N 0.687 120.910 120.400 -0.295 0.000 2.323 526 D HA -0.036 4.604 4.640 0.001 0.000 0.209 526 D C 0.252 176.450 176.300 -0.169 0.000 0.973 526 D CA 0.694 54.594 54.000 -0.168 0.000 0.874 526 D CB -0.004 40.721 40.800 -0.124 0.000 0.930 526 D HN 0.147 nan 8.370 nan 0.000 0.521 527 N N 0.403 118.952 118.700 -0.251 0.000 2.733 527 N HA 0.112 4.852 4.740 0.001 0.000 0.271 527 N C -2.738 172.643 175.510 -0.215 0.000 1.720 527 N CA -1.430 51.507 53.050 -0.189 0.000 0.803 527 N CB 1.126 39.515 38.487 -0.162 0.000 1.208 527 N HN -0.233 nan 8.380 nan 0.000 0.498 528 P HA 0.179 nan 4.420 nan 0.000 0.225 528 P C 0.421 177.799 177.300 0.130 0.000 1.768 528 P CA -0.039 63.062 63.100 0.002 0.000 0.943 528 P CB 0.301 32.092 31.700 0.151 0.000 1.936 529 A N 0.067 122.941 122.820 0.090 0.000 2.014 529 A HA -0.021 4.299 4.320 0.001 0.000 0.218 529 A C 0.596 178.333 177.584 0.255 0.000 1.163 529 A CA 0.496 52.592 52.037 0.098 0.000 0.652 529 A CB -0.299 18.711 19.000 0.016 0.000 0.808 529 A HN 0.516 nan 8.150 nan 0.000 0.449 530 W N -1.771 119.575 121.300 0.076 0.000 3.405 530 W HA 0.400 5.061 4.660 0.001 0.000 0.329 530 W C -1.258 175.346 176.519 0.143 0.000 1.142 530 W CA -0.874 56.496 57.345 0.041 0.000 1.235 530 W CB 1.078 30.506 29.460 -0.053 0.000 1.341 530 W HN 0.084 nan 8.180 nan 0.000 0.481 531 F N 4.606 124.036 119.950 -0.866 0.000 2.765 531 F HA 0.336 4.863 4.527 0.001 0.000 0.302 531 F C 1.063 176.230 175.800 -1.056 0.000 1.111 531 F CA 0.505 57.991 58.000 -0.857 0.000 1.359 531 F CB 0.256 38.794 39.000 -0.769 0.000 1.097 531 F HN 0.072 nan 8.300 nan 0.000 0.577 532 R N 1.495 121.312 120.500 -1.138 0.000 2.983 532 R HA 0.253 4.594 4.340 0.001 0.000 0.300 532 R C -2.261 174.054 176.300 0.025 0.000 1.367 532 R CA -1.328 54.320 56.100 -0.752 0.000 1.564 532 R CB -0.263 29.599 30.300 -0.730 0.000 1.314 532 R HN 0.113 nan 8.270 nan 0.000 0.622 533 P HA -0.001 nan 4.420 nan 0.000 0.255 533 P C 0.492 177.929 177.300 0.229 0.000 1.248 533 P CA 0.166 63.378 63.100 0.187 0.000 0.807 533 P CB 0.478 31.993 31.700 -0.310 0.000 1.150 534 S N 2.559 118.171 115.700 -0.146 0.000 2.537 534 S HA 0.096 4.567 4.470 0.001 0.000 0.286 534 S C -1.005 173.260 174.600 -0.558 0.000 1.299 534 S CA -1.052 56.761 58.200 -0.645 0.000 1.067 534 S CB 0.171 62.237 63.200 -1.889 0.000 0.864 534 S HN 0.032 nan 8.310 nan 0.000 0.494 535 P HA -0.035 nan 4.420 nan 0.000 0.222 535 P C 1.255 178.478 177.300 -0.127 0.000 1.147 535 P CA 1.045 63.537 63.100 -1.012 0.000 0.790 535 P CB -0.160 30.611 31.700 -1.549 0.000 0.780 536 W N -1.497 119.771 121.300 -0.052 0.000 3.139 536 W HA 0.154 4.814 4.660 0.001 0.000 0.260 536 W C 0.726 177.288 176.519 0.072 0.000 1.312 536 W CA -0.477 56.917 57.345 0.082 0.000 1.606 536 W CB -1.663 27.751 29.460 -0.076 0.000 1.118 536 W HN -0.026 nan 8.180 nan 0.000 0.675 537 H N 1.600 120.717 119.070 0.079 0.000 2.815 537 H HA 0.223 4.780 4.556 0.001 0.000 0.350 537 H C 1.414 176.852 175.328 0.183 0.000 1.080 537 H CA 0.962 57.124 56.048 0.191 0.000 1.433 537 H CB 1.994 31.807 29.762 0.084 0.000 1.432 537 H HN 0.057 nan 8.280 nan 0.000 0.592 538 A N 4.053 126.778 122.820 -0.159 0.000 2.042 538 A HA -0.187 4.134 4.320 0.001 0.000 0.222 538 A C 1.115 178.864 177.584 0.274 0.000 1.167 538 A CA 1.905 53.954 52.037 0.019 0.000 0.649 538 A CB 0.015 18.989 19.000 -0.044 0.000 0.809 538 A HN 0.737 nan 8.150 nan 0.000 0.457 539 D N -1.179 119.572 120.400 0.585 0.000 2.559 539 D HA 0.436 5.077 4.640 0.001 0.000 0.234 539 D C 1.290 177.916 176.300 0.544 0.000 1.226 539 D CA 0.636 54.987 54.000 0.585 0.000 0.830 539 D CB 0.285 41.451 40.800 0.610 0.000 1.028 539 D HN 0.384 nan 8.370 nan 0.000 0.492 540 A N 0.896 124.010 122.820 0.491 0.000 2.066 540 A HA -0.092 4.228 4.320 0.001 0.000 0.218 540 A C 2.009 179.829 177.584 0.394 0.000 1.157 540 A CA 0.312 52.665 52.037 0.526 0.000 0.670 540 A CB -0.907 18.446 19.000 0.588 0.000 0.804 540 A HN 0.542 nan 8.150 nan 0.000 0.453 541 W N 0.402 121.895 121.300 0.321 0.000 2.325 541 W HA -0.103 4.557 4.660 0.001 0.000 0.299 541 W C -1.594 174.986 176.519 0.101 0.000 1.215 541 W CA 1.424 58.961 57.345 0.321 0.000 1.244 541 W CB -2.244 27.381 29.460 0.275 0.000 1.140 541 W HN 0.266 nan 8.180 nan 0.000 0.523 542 P HA -0.107 nan 4.420 nan 0.000 0.222 542 P C 1.693 178.787 177.300 -0.344 0.000 1.147 542 P CA 2.806 65.367 63.100 -0.898 0.000 0.790 542 P CB -0.278 30.265 31.700 -1.928 0.000 0.780 543 T N -0.165 114.204 114.554 -0.309 0.000 2.737 543 T HA -0.150 4.200 4.350 0.001 0.000 0.269 543 T C 1.575 176.098 174.700 -0.295 0.000 1.040 543 T CA 1.138 63.130 62.100 -0.180 0.000 1.142 543 T CB -0.865 67.980 68.868 -0.039 0.000 0.861 543 T HN 0.162 nan 8.240 nan 0.000 0.456 544 L N -0.687 120.417 121.223 -0.199 0.000 2.376 544 L HA 0.132 4.472 4.340 0.001 0.000 0.219 544 L C 1.713 178.401 176.870 -0.304 0.000 1.133 544 L CA 0.825 55.455 54.840 -0.351 0.000 0.816 544 L CB -0.387 41.496 42.059 -0.293 0.000 0.933 544 L HN 0.251 nan 8.230 nan 0.000 0.449 545 F N -0.997 118.880 119.950 -0.121 0.000 2.698 545 F HA 0.084 4.611 4.527 0.001 0.000 0.295 545 F C 2.006 177.728 175.800 -0.131 0.000 1.124 545 F CA 0.374 58.361 58.000 -0.021 0.000 1.426 545 F CB 0.131 39.278 39.000 0.243 0.000 1.120 545 F HN -0.065 nan 8.300 nan 0.000 0.583 546 I N 0.140 120.666 120.570 -0.074 0.000 2.628 546 I HA -0.030 4.140 4.170 0.001 0.000 0.255 546 I C 1.158 177.132 176.117 -0.238 0.000 1.119 546 I CA 0.108 61.310 61.300 -0.163 0.000 1.448 546 I CB 0.028 37.925 38.000 -0.170 0.000 1.133 546 I HN -0.079 nan 8.210 nan 0.000 0.438 547 I N -0.402 119.936 120.570 -0.386 0.000 3.004 547 I HA 0.311 4.481 4.170 0.001 0.000 0.287 547 I C 0.203 176.191 176.117 -0.215 0.000 1.144 547 I CA -0.195 60.811 61.300 -0.490 0.000 1.353 547 I CB 0.764 38.173 38.000 -0.985 0.000 1.417 547 I HN 0.059 nan 8.210 nan 0.000 0.602 548 S N 1.597 117.251 115.700 -0.076 0.000 2.671 548 S HA 0.500 4.971 4.470 0.001 0.000 0.277 548 S C -0.918 173.739 174.600 0.095 0.000 1.165 548 S CA -1.295 56.958 58.200 0.088 0.000 0.822 548 S CB 1.228 64.416 63.200 -0.019 0.000 1.150 548 S HN 0.666 nan 8.310 nan 0.000 0.479 549 K N 1.119 121.449 120.400 -0.117 0.000 2.382 549 K HA 0.174 4.495 4.320 0.001 0.000 0.275 549 K C 1.072 177.523 176.600 -0.248 0.000 1.009 549 K CA -0.375 55.630 56.287 -0.469 0.000 0.970 549 K CB 0.558 32.784 32.500 -0.456 0.000 0.934 549 K HN 0.703 nan 8.250 nan 0.000 0.479 550 K N 1.530 121.779 120.400 -0.252 0.000 2.103 550 K HA -0.175 4.146 4.320 0.001 0.000 0.207 550 K C 1.570 178.097 176.600 -0.121 0.000 1.048 550 K CA 2.021 58.223 56.287 -0.142 0.000 0.930 550 K CB 0.023 32.448 32.500 -0.125 0.000 0.716 550 K HN 0.654 nan 8.250 nan 0.000 0.444 551 S N -0.771 114.846 115.700 -0.138 0.000 2.603 551 S HA -0.031 4.440 4.470 0.001 0.000 0.220 551 S C 0.135 174.681 174.600 -0.089 0.000 0.967 551 S CA 0.373 58.514 58.200 -0.099 0.000 0.920 551 S CB 0.310 63.458 63.200 -0.088 0.000 0.773 551 S HN 0.320 nan 8.310 nan 0.000 0.529 552 D N 1.464 121.803 120.400 -0.103 0.000 3.118 552 D HA 0.358 4.998 4.640 0.001 0.000 0.286 552 D C -3.202 173.057 176.300 -0.069 0.000 1.255 552 D CA -1.690 52.264 54.000 -0.077 0.000 0.748 552 D CB 0.934 41.688 40.800 -0.076 0.000 1.332 552 D HN 0.074 nan 8.370 nan 0.000 0.575 553 P HA 0.164 nan 4.420 nan 0.000 0.268 553 P C -0.441 176.831 177.300 -0.047 0.000 1.204 553 P CA -0.038 63.026 63.100 -0.059 0.000 0.768 553 P CB 0.706 32.372 31.700 -0.056 0.000 0.842 554 Q N 2.588 122.361 119.800 -0.046 0.000 2.433 554 Q HA 0.506 4.847 4.340 0.001 0.000 0.279 554 Q C -2.194 173.779 176.000 -0.045 0.000 1.105 554 Q CA -1.826 53.956 55.803 -0.036 0.000 0.815 554 Q CB 1.031 29.755 28.738 -0.024 0.000 1.403 554 Q HN 0.369 nan 8.270 nan 0.000 0.435 555 P HA 0.187 nan 4.420 nan 0.000 0.274 555 P C -0.189 177.071 177.300 -0.067 0.000 1.256 555 P CA -0.497 62.573 63.100 -0.049 0.000 0.795 555 P CB 0.608 32.285 31.700 -0.037 0.000 1.038 556 V N 2.409 122.270 119.914 -0.088 0.000 2.673 556 V HA 0.038 4.158 4.120 0.001 0.000 0.303 556 V C -1.765 174.231 176.094 -0.165 0.000 1.046 556 V CA -0.788 61.434 62.300 -0.130 0.000 1.126 556 V CB -0.347 31.398 31.823 -0.131 0.000 0.934 556 V HN 0.612 nan 8.190 nan 0.000 0.487 557 P HA 0.043 nan 4.420 nan 0.000 0.263 557 P C 0.707 177.744 177.300 -0.439 0.000 1.195 557 P CA 0.236 63.088 63.100 -0.413 0.000 0.762 557 P CB 0.502 31.664 31.700 -0.897 0.000 0.799 558 S N 2.853 118.424 115.700 -0.214 0.000 2.447 558 S HA -0.117 4.354 4.470 0.001 0.000 0.233 558 S C 1.424 176.000 174.600 -0.040 0.000 1.006 558 S CA 0.300 58.448 58.200 -0.088 0.000 0.957 558 S CB -0.836 62.373 63.200 0.016 0.000 0.773 558 S HN 0.695 nan 8.310 nan 0.000 0.507 559 W N 1.228 122.536 121.300 0.014 0.000 2.770 559 W HA 0.413 5.073 4.660 0.001 0.000 0.256 559 W C 0.084 176.639 176.519 0.060 0.000 1.291 559 W CA -0.798 56.558 57.345 0.018 0.000 1.396 559 W CB -0.795 28.659 29.460 -0.010 0.000 1.114 559 W HN 0.140 nan 8.180 nan 0.000 0.637 560 L N 1.935 122.990 121.223 -0.281 0.000 2.456 560 L HA 0.462 4.803 4.340 0.001 0.000 0.272 560 L C 0.983 177.851 176.870 -0.003 0.000 1.189 560 L CA 1.486 56.232 54.840 -0.156 0.000 0.846 560 L CB -0.007 41.835 42.059 -0.363 0.000 1.111 560 L HN 0.212 nan 8.230 nan 0.000 0.475 561 G N 0.942 109.784 108.800 0.071 0.000 2.587 561 G HA2 -0.082 3.879 3.960 0.001 0.000 0.686 561 G HA3 -0.082 3.879 3.960 0.001 0.000 0.686 561 G C -0.333 174.631 174.900 0.107 0.000 1.236 561 G CA -0.510 44.629 45.100 0.065 0.000 0.820 561 G HN 0.830 nan 8.290 nan 0.000 0.645 562 T N -1.444 113.163 114.554 0.089 0.000 2.802 562 T HA 0.452 4.803 4.350 0.001 0.000 0.305 562 T C 1.859 176.618 174.700 0.098 0.000 1.053 562 T CA 0.333 62.496 62.100 0.107 0.000 1.058 562 T CB 1.380 70.301 68.868 0.088 0.000 0.988 562 T HN 1.411 nan 8.240 nan 0.000 0.539 563 V N 1.226 121.203 119.914 0.106 0.000 2.332 563 V HA -0.162 3.958 4.120 0.001 0.000 0.248 563 V C 2.434 178.564 176.094 0.060 0.000 1.055 563 V CA 2.183 64.534 62.300 0.085 0.000 1.038 563 V CB -0.846 31.026 31.823 0.082 0.000 0.651 563 V HN 0.864 nan 8.190 nan 0.000 0.450 564 D N -0.351 120.084 120.400 0.057 0.000 2.264 564 D HA -0.112 4.528 4.640 0.001 0.000 0.208 564 D C 2.104 178.425 176.300 0.034 0.000 0.966 564 D CA 0.858 54.883 54.000 0.042 0.000 0.864 564 D CB -0.097 40.727 40.800 0.041 0.000 0.933 564 D HN 0.580 nan 8.370 nan 0.000 0.499 565 E N -0.881 119.342 120.200 0.038 0.000 2.442 565 E HA 0.211 4.562 4.350 0.001 0.000 0.195 565 E C 1.218 177.833 176.600 0.025 0.000 1.030 565 E CA 0.409 56.826 56.400 0.028 0.000 0.869 565 E CB 0.605 30.321 29.700 0.027 0.000 0.857 565 E HN 0.266 nan 8.360 nan 0.000 0.505 566 G N 0.666 109.487 108.800 0.034 0.000 2.192 566 G HA2 -0.181 3.780 3.960 0.001 0.000 0.193 566 G HA3 -0.181 3.780 3.960 0.001 0.000 0.193 566 G C 0.484 175.411 174.900 0.046 0.000 0.999 566 G CA -0.338 44.780 45.100 0.031 0.000 0.659 566 G HN 0.465 nan 8.290 nan 0.000 0.503 567 G N -0.095 108.745 108.800 0.067 0.000 2.543 567 G HA2 0.679 4.639 3.960 0.001 0.000 0.267 567 G HA3 0.679 4.639 3.960 0.001 0.000 0.267 567 G C 1.068 176.052 174.900 0.139 0.000 1.406 567 G CA -0.113 45.054 45.100 0.110 0.000 1.048 567 G HN 1.098 nan 8.290 nan 0.000 0.548 568 I N -2.674 118.020 120.570 0.207 0.000 4.154 568 I HA 0.418 4.588 4.170 0.001 0.000 0.334 568 I C -0.115 176.147 176.117 0.241 0.000 1.371 568 I CA -0.243 61.172 61.300 0.192 0.000 1.110 568 I CB 0.326 38.426 38.000 0.166 0.000 1.085 568 I HN 0.177 nan 8.210 nan 0.000 0.398 569 E N 2.763 123.118 120.200 0.259 0.000 2.354 569 E HA 0.440 4.790 4.350 0.001 0.000 0.269 569 E C -0.622 176.136 176.600 0.263 0.000 1.036 569 E CA -0.353 56.222 56.400 0.292 0.000 0.876 569 E CB 1.997 31.856 29.700 0.265 0.000 1.009 569 E HN 0.336 nan 8.360 nan 0.000 0.416 570 I N 4.393 125.164 120.570 0.335 0.000 2.312 570 I HA 0.219 4.389 4.170 0.001 0.000 0.290 570 I C -2.245 174.070 176.117 0.330 0.000 1.008 570 I CA -2.563 58.919 61.300 0.304 0.000 1.226 570 I CB 1.128 39.328 38.000 0.333 0.000 1.371 570 I HN 0.153 nan 8.210 nan 0.000 0.468 571 P HA 0.046 nan 4.420 nan 0.000 0.266 571 P C 0.736 178.211 177.300 0.291 0.000 1.195 571 P CA 0.053 63.295 63.100 0.237 0.000 0.768 571 P CB 0.580 32.379 31.700 0.165 0.000 0.838 572 T N 1.970 116.742 114.554 0.365 0.000 2.759 572 T HA -0.227 4.124 4.350 0.001 0.000 0.269 572 T C 1.779 176.665 174.700 0.311 0.000 1.042 572 T CA 2.059 64.387 62.100 0.381 0.000 1.140 572 T CB -0.615 68.546 68.868 0.489 0.000 0.864 572 T HN 0.470 nan 8.240 nan 0.000 0.455 573 A N 1.573 124.567 122.820 0.289 0.000 1.940 573 A HA -0.154 4.166 4.320 0.001 0.000 0.219 573 A C 2.176 179.881 177.584 0.202 0.000 1.176 573 A CA 2.111 54.303 52.037 0.258 0.000 0.631 573 A CB -0.497 18.607 19.000 0.173 0.000 0.814 573 A HN 0.393 nan 8.150 nan 0.000 0.446 574 K N 0.427 120.924 120.400 0.163 0.000 2.057 574 K HA 0.001 4.321 4.320 0.001 0.000 0.206 574 K C 1.560 178.233 176.600 0.122 0.000 1.050 574 K CA 1.592 57.963 56.287 0.140 0.000 0.935 574 K CB -0.584 32.007 32.500 0.151 0.000 0.715 574 K HN 0.512 nan 8.250 nan 0.000 0.439 575 I N -0.209 120.378 120.570 0.029 0.000 2.226 575 I HA -0.225 3.946 4.170 0.001 0.000 0.245 575 I C 1.726 177.700 176.117 -0.239 0.000 1.100 575 I CA 1.133 62.322 61.300 -0.184 0.000 1.374 575 I CB -0.298 37.334 38.000 -0.613 0.000 1.057 575 I HN 0.033 nan 8.210 nan 0.000 0.413 576 F N 1.308 121.211 119.950 -0.078 0.000 2.234 576 F HA -0.147 4.381 4.527 0.001 0.000 0.299 576 F C 2.478 178.198 175.800 -0.134 0.000 1.087 576 F CA 1.233 59.166 58.000 -0.112 0.000 1.340 576 F CB -0.548 38.436 39.000 -0.027 0.000 1.031 576 F HN 0.067 nan 8.300 nan 0.000 0.500 577 E N 0.047 120.309 120.200 0.105 0.000 2.058 577 E HA -0.222 4.129 4.350 0.001 0.000 0.194 577 E C 1.785 178.370 176.600 -0.025 0.000 0.997 577 E CA 1.531 57.957 56.400 0.042 0.000 0.801 577 E CB -0.209 29.531 29.700 0.067 0.000 0.746 577 E HN 0.315 nan 8.360 nan 0.000 0.450 578 D N 0.731 121.123 120.400 -0.013 0.000 2.144 578 D HA -0.142 4.498 4.640 0.001 0.000 0.199 578 D C 2.022 178.102 176.300 -0.367 0.000 0.984 578 D CA 0.532 54.529 54.000 -0.006 0.000 0.834 578 D CB -0.225 40.763 40.800 0.314 0.000 0.955 578 D HN 0.117 nan 8.370 nan 0.000 0.465 579 L N 0.471 121.229 121.223 -0.776 0.000 2.017 579 L HA -0.263 4.077 4.340 0.001 0.000 0.208 579 L C 2.376 178.942 176.870 -0.506 0.000 1.073 579 L CA 1.490 55.612 54.840 -1.196 0.000 0.745 579 L CB -0.075 41.427 42.059 -0.929 0.000 0.894 579 L HN -0.066 nan 8.230 nan 0.000 0.432 580 Q N 0.384 120.014 119.800 -0.284 0.000 2.119 580 Q HA -0.277 4.064 4.340 0.001 0.000 0.201 580 Q C 2.164 178.097 176.000 -0.112 0.000 0.972 580 Q CA 1.950 57.653 55.803 -0.166 0.000 0.847 580 Q CB -0.138 28.541 28.738 -0.099 0.000 0.903 580 Q HN 0.374 nan 8.270 nan 0.000 0.433 581 K N -0.883 119.460 120.400 -0.095 0.000 2.152 581 K HA -0.076 4.244 4.320 0.001 0.000 0.206 581 K C 1.462 178.046 176.600 -0.026 0.000 1.048 581 K CA 1.245 57.508 56.287 -0.040 0.000 0.933 581 K CB -0.238 32.256 32.500 -0.010 0.000 0.721 581 K HN 0.276 nan 8.250 nan 0.000 0.447 582 A N 0.594 123.379 122.820 -0.058 0.000 2.238 582 A HA 0.057 4.378 4.320 0.001 0.000 0.208 582 A C 0.562 178.158 177.584 0.019 0.000 1.177 582 A CA 0.300 52.343 52.037 0.010 0.000 0.804 582 A CB -0.461 18.573 19.000 0.057 0.000 0.823 582 A HN 0.321 nan 8.150 nan 0.000 0.482 583 T N 0.000 114.546 114.554 -0.014 0.000 3.816 583 T HA 0.000 4.351 4.350 0.001 0.000 0.228 583 T CA 0.000 62.105 62.100 0.008 0.000 1.349 583 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 583 T HN 0.000 nan 8.240 nan 0.000 0.658