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 3bv6_1_A DATA FIRST_RESID 3 DATA SEQUENCE KVNEITRESW ILSTFPEWGT WLNEEIEQTV VEPNTFSMWW LGCTGIWLKS DATA SEQUENCE AGNTNLSIDF WCGTGKKTQK NRLMNTQHQM MRMGGVEALQ PNLRTSIFPL DATA SEQUENCE DPFAIKEIDA VLASHDHADH IDVNVAAAVL QNCGEHVKFI GPQACVDLWL DATA SEQUENCE GWGVPQERCI VAKVGDVLEI GDVKIRVLDS FDRTALVTLP KGVSSYDKAI DATA SEQUENCE LDGMDERAVN YLIETSGGSV YHSGDSHYSN YYAKHGNDYQ IDVALLSYGE DATA SEQUENCE NPRGVTDKMT SSDVLRAAES LDCQVVVPFH HDIWANFQND PREIEVLWNM DATA SEQUENCE KKDRLQYQFA PFFWQVGGKY TYPTDKGRMH YQHFRGFQDI FKNEPELPYK DATA SEQUENCE AFL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.601 176.600 0.002 0.000 0.988 3 K CA 0.000 56.288 56.287 0.002 0.000 0.838 3 K CB 0.000 32.502 32.500 0.003 0.000 1.064 4 V N 0.740 120.652 119.914 -0.004 0.000 2.469 4 V HA -0.176 3.945 4.120 0.000 0.000 0.251 4 V C 1.384 177.476 176.094 -0.003 0.000 1.064 4 V CA 1.825 64.121 62.300 -0.007 0.000 1.066 4 V CB -0.473 31.341 31.823 -0.014 0.000 0.667 4 V HN 0.659 nan 8.190 nan 0.000 0.461 5 N N 1.116 119.815 118.700 -0.001 0.000 2.188 5 N HA -0.108 4.632 4.740 0.000 0.000 0.184 5 N C 1.798 177.312 175.510 0.006 0.000 1.018 5 N CA 1.826 54.877 53.050 0.001 0.000 0.858 5 N CB -0.356 38.132 38.487 0.000 0.000 0.989 5 N HN 0.724 nan 8.380 nan 0.000 0.426 6 E N -0.162 120.043 120.200 0.008 0.000 2.502 6 E HA 0.124 4.474 4.350 0.000 0.000 0.194 6 E C 0.025 176.638 176.600 0.022 0.000 1.062 6 E CA 0.013 56.421 56.400 0.013 0.000 0.867 6 E CB 0.416 30.123 29.700 0.012 0.000 0.888 6 E HN 0.331 nan 8.360 nan 0.000 0.510 7 I N 0.901 121.486 120.570 0.024 0.000 2.365 7 I HA 0.114 4.284 4.170 0.000 0.000 0.291 7 I C 0.399 176.544 176.117 0.046 0.000 1.004 7 I CA -0.139 61.186 61.300 0.041 0.000 1.311 7 I CB 1.643 39.666 38.000 0.037 0.000 1.401 7 I HN -0.128 nan 8.210 nan 0.000 0.491 8 T N 4.175 118.773 114.554 0.074 0.000 2.883 8 T HA 0.299 4.649 4.350 0.000 0.000 0.284 8 T C 0.999 175.785 174.700 0.145 0.000 1.041 8 T CA -0.583 61.564 62.100 0.078 0.000 1.007 8 T CB 1.679 70.582 68.868 0.058 0.000 1.220 8 T HN 0.682 nan 8.240 nan 0.000 0.552 9 R N 0.224 120.812 120.500 0.147 0.000 2.081 9 R HA -0.075 4.265 4.340 0.000 0.000 0.235 9 R C 1.631 178.084 176.300 0.255 0.000 1.131 9 R CA 2.059 58.313 56.100 0.256 0.000 0.960 9 R CB -0.169 30.243 30.300 0.186 0.000 0.856 9 R HN 0.576 nan 8.270 nan 0.000 0.436 10 E N 0.204 120.481 120.200 0.128 0.000 2.106 10 E HA -0.137 4.213 4.350 0.000 0.000 0.192 10 E C 2.007 178.639 176.600 0.053 0.000 0.984 10 E CA 1.736 58.172 56.400 0.061 0.000 0.806 10 E CB -0.073 29.640 29.700 0.022 0.000 0.750 10 E HN 0.469 nan 8.360 nan 0.000 0.458 11 S N -0.339 115.412 115.700 0.086 0.000 2.387 11 S HA -0.155 4.315 4.470 0.000 0.000 0.226 11 S C 1.912 176.579 174.600 0.111 0.000 1.026 11 S CA 0.660 58.902 58.200 0.071 0.000 0.972 11 S CB -0.703 62.539 63.200 0.069 0.000 0.814 11 S HN 0.517 nan 8.310 nan 0.000 0.477 12 W N 2.660 123.970 121.300 0.017 0.000 2.332 12 W HA -0.000 4.660 4.660 0.000 0.000 0.321 12 W C 1.735 178.294 176.519 0.067 0.000 1.219 12 W CA 1.177 58.538 57.345 0.026 0.000 1.277 12 W CB -0.776 28.706 29.460 0.037 0.000 1.161 12 W HN 0.259 nan 8.180 nan 0.000 0.476 13 I N 0.640 121.020 120.570 -0.317 0.000 2.127 13 I HA -0.375 3.795 4.170 0.000 0.000 0.241 13 I C 2.561 178.569 176.117 -0.181 0.000 1.075 13 I CA 1.802 62.860 61.300 -0.403 0.000 1.334 13 I CB -0.907 36.930 38.000 -0.271 0.000 1.040 13 I HN 0.026 nan 8.210 nan 0.000 0.405 14 L N 0.361 121.510 121.223 -0.123 0.000 2.191 14 L HA -0.169 4.172 4.340 0.000 0.000 0.212 14 L C 2.523 179.333 176.870 -0.100 0.000 1.103 14 L CA 1.498 56.279 54.840 -0.098 0.000 0.769 14 L CB -0.520 41.494 42.059 -0.075 0.000 0.908 14 L HN 0.392 nan 8.230 nan 0.000 0.438 15 S N -3.232 112.401 115.700 -0.112 0.000 2.524 15 S HA 0.003 4.473 4.470 0.000 0.000 0.216 15 S C 1.625 176.124 174.600 -0.168 0.000 0.987 15 S CA 0.506 58.648 58.200 -0.096 0.000 0.909 15 S CB 0.164 63.342 63.200 -0.037 0.000 0.781 15 S HN 0.258 nan 8.310 nan 0.000 0.521 16 T N 0.899 115.257 114.554 -0.326 0.000 3.042 16 T HA 0.413 4.764 4.350 0.000 0.000 0.245 16 T C -0.159 174.120 174.700 -0.701 0.000 1.029 16 T CA 0.233 61.983 62.100 -0.585 0.000 1.120 16 T CB -0.097 68.155 68.868 -1.027 0.000 0.917 16 T HN 0.362 nan 8.240 nan 0.000 0.467 17 F N 2.162 121.944 119.950 -0.280 0.000 2.470 17 F HA 0.521 5.048 4.527 0.000 0.000 0.329 17 F C -2.036 173.642 175.800 -0.203 0.000 1.072 17 F CA -2.683 55.162 58.000 -0.259 0.000 0.989 17 F CB 0.474 39.246 39.000 -0.381 0.000 1.193 17 F HN -0.147 nan 8.300 nan 0.000 0.481 18 P HA 0.158 nan 4.420 nan 0.000 0.272 18 P C -0.158 177.190 177.300 0.080 0.000 1.230 18 P CA -0.181 62.945 63.100 0.044 0.000 0.788 18 P CB 1.079 32.800 31.700 0.035 0.000 0.949 19 E N 0.436 120.713 120.200 0.130 0.000 2.160 19 E HA -0.154 4.196 4.350 0.000 0.000 0.195 19 E C 0.814 177.599 176.600 0.309 0.000 0.991 19 E CA 1.715 58.204 56.400 0.148 0.000 0.810 19 E CB -0.340 29.487 29.700 0.211 0.000 0.742 19 E HN 0.548 nan 8.360 nan 0.000 0.466 20 W N 0.368 121.665 121.300 -0.005 0.000 3.239 20 W HA 0.435 5.095 4.660 0.000 0.000 0.348 20 W C 1.341 177.900 176.519 0.068 0.000 1.183 20 W CA 0.361 57.706 57.345 -0.000 0.000 1.819 20 W CB -0.369 29.099 29.460 0.013 0.000 1.091 20 W HN 0.183 nan 8.180 nan 0.000 0.629 21 G N 1.368 110.311 108.800 0.238 0.000 2.652 21 G HA2 -0.438 3.522 3.960 0.000 0.000 0.318 21 G HA3 -0.438 3.522 3.960 0.000 0.000 0.318 21 G C 1.025 176.038 174.900 0.187 0.000 1.295 21 G CA 2.095 47.290 45.100 0.158 0.000 0.999 21 G HN 0.361 nan 8.290 nan 0.000 0.548 22 T N -3.160 111.485 114.554 0.152 0.000 3.186 22 T HA 0.215 4.566 4.350 0.000 0.000 0.257 22 T C 1.487 176.261 174.700 0.124 0.000 1.029 22 T CA 0.863 63.027 62.100 0.106 0.000 0.916 22 T CB 0.029 68.916 68.868 0.032 0.000 1.041 22 T HN 0.698 nan 8.240 nan 0.000 0.562 23 W N 1.458 122.780 121.300 0.037 0.000 2.302 23 W HA -0.219 4.441 4.660 0.000 0.000 0.320 23 W C 1.412 177.933 176.519 0.004 0.000 1.241 23 W CA 0.960 58.308 57.345 0.005 0.000 1.264 23 W CB -0.631 28.812 29.460 -0.029 0.000 1.154 23 W HN 0.409 nan 8.180 nan 0.000 0.483 24 L N 1.749 123.203 121.223 0.386 0.000 2.179 24 L HA -0.084 4.257 4.340 0.000 0.000 0.208 24 L C 2.232 178.980 176.870 -0.203 0.000 1.096 24 L CA 1.652 56.590 54.840 0.162 0.000 0.779 24 L CB -1.131 41.085 42.059 0.261 0.000 0.922 24 L HN -0.090 nan 8.230 nan 0.000 0.443 25 N N -0.008 118.589 118.700 -0.172 0.000 2.069 25 N HA -0.237 4.503 4.740 0.000 0.000 0.191 25 N C 1.591 176.913 175.510 -0.314 0.000 1.031 25 N CA 1.935 54.806 53.050 -0.298 0.000 0.852 25 N CB -0.104 38.282 38.487 -0.169 0.000 1.018 25 N HN 0.541 nan 8.380 nan 0.000 0.423 26 E N 0.738 120.793 120.200 -0.242 0.000 2.051 26 E HA -0.207 4.143 4.350 0.000 0.000 0.192 26 E C 1.863 178.287 176.600 -0.294 0.000 0.991 26 E CA 0.941 57.187 56.400 -0.258 0.000 0.799 26 E CB -0.038 29.495 29.700 -0.278 0.000 0.748 26 E HN 0.294 nan 8.360 nan 0.000 0.449 27 E N 1.186 121.191 120.200 -0.324 0.000 2.038 27 E HA -0.188 4.162 4.350 0.000 0.000 0.195 27 E C 1.872 178.293 176.600 -0.299 0.000 1.000 27 E CA 1.243 57.489 56.400 -0.256 0.000 0.803 27 E CB -0.214 29.412 29.700 -0.123 0.000 0.750 27 E HN 0.228 nan 8.360 nan 0.000 0.448 28 I N 0.507 120.724 120.570 -0.588 0.000 2.142 28 I HA -0.273 3.898 4.170 0.000 0.000 0.240 28 I C 2.387 178.238 176.117 -0.443 0.000 1.078 28 I CA 1.646 62.416 61.300 -0.884 0.000 1.343 28 I CB -0.383 36.785 38.000 -1.386 0.000 1.046 28 I HN 0.208 nan 8.210 nan 0.000 0.405 29 E N 0.378 120.358 120.200 -0.367 0.000 2.097 29 E HA -0.290 4.061 4.350 0.000 0.000 0.196 29 E C 2.005 178.536 176.600 -0.115 0.000 1.000 29 E CA 1.254 57.534 56.400 -0.200 0.000 0.804 29 E CB -0.098 29.492 29.700 -0.184 0.000 0.740 29 E HN 0.574 nan 8.360 nan 0.000 0.454 30 Q N -0.011 119.713 119.800 -0.127 0.000 2.403 30 Q HA 0.043 4.384 4.340 0.000 0.000 0.203 30 Q C -0.148 175.839 176.000 -0.021 0.000 0.932 30 Q CA 0.214 55.971 55.803 -0.077 0.000 0.945 30 Q CB 0.676 29.350 28.738 -0.107 0.000 1.045 30 Q HN 0.040 nan 8.270 nan 0.000 0.511 31 T N 1.080 115.646 114.554 0.020 0.000 2.761 31 T HA 0.207 4.558 4.350 0.000 0.000 0.296 31 T C -0.228 174.540 174.700 0.114 0.000 0.934 31 T CA -0.166 62.007 62.100 0.121 0.000 1.091 31 T CB 1.271 70.332 68.868 0.321 0.000 0.896 31 T HN -0.151 nan 8.240 nan 0.000 0.515 32 V N 5.427 125.390 119.914 0.083 0.000 2.304 32 V HA 0.181 4.301 4.120 0.000 0.000 0.269 32 V C 0.403 176.544 176.094 0.078 0.000 1.036 32 V CA -0.780 61.561 62.300 0.069 0.000 0.840 32 V CB 0.919 32.763 31.823 0.036 0.000 1.036 32 V HN 0.701 nan 8.190 nan 0.000 0.466 33 V N 5.391 125.366 119.914 0.102 0.000 2.521 33 V HA 0.142 4.262 4.120 0.000 0.000 0.286 33 V C 0.765 176.893 176.094 0.057 0.000 1.034 33 V CA -0.419 61.935 62.300 0.092 0.000 1.045 33 V CB 0.567 32.473 31.823 0.138 0.000 0.974 33 V HN 0.767 nan 8.190 nan 0.000 0.480 34 E N 5.809 126.026 120.200 0.028 0.000 2.404 34 E HA 0.205 4.555 4.350 0.000 0.000 0.261 34 E C -2.288 174.327 176.600 0.024 0.000 1.074 34 E CA -1.950 54.459 56.400 0.014 0.000 0.917 34 E CB 0.178 29.871 29.700 -0.012 0.000 0.965 34 E HN 0.434 nan 8.360 nan 0.000 0.433 35 P HA -0.034 nan 4.420 nan 0.000 0.265 35 P C -0.209 177.106 177.300 0.026 0.000 1.187 35 P CA 0.347 63.462 63.100 0.026 0.000 0.766 35 P CB 0.330 32.039 31.700 0.016 0.000 0.820 36 N N -1.397 117.330 118.700 0.044 0.000 2.776 36 N HA -0.128 4.612 4.740 0.000 0.000 0.250 36 N C -0.062 175.488 175.510 0.067 0.000 1.112 36 N CA 1.680 54.761 53.050 0.053 0.000 0.733 36 N CB -1.857 36.645 38.487 0.026 0.000 1.097 36 N HN 0.659 nan 8.380 nan 0.000 0.558 37 T N -2.552 112.054 114.554 0.087 0.000 2.865 37 T HA 0.829 5.179 4.350 0.000 0.000 0.294 37 T C -0.512 174.322 174.700 0.222 0.000 1.119 37 T CA -0.938 61.214 62.100 0.087 0.000 1.007 37 T CB 2.515 71.356 68.868 -0.045 0.000 1.225 37 T HN 0.245 nan 8.240 nan 0.000 0.515 38 F N -1.137 118.827 119.950 0.023 0.000 2.626 38 F HA 0.871 5.398 4.527 0.000 0.000 0.311 38 F C -0.998 174.798 175.800 -0.005 0.000 1.088 38 F CA -0.956 57.068 58.000 0.039 0.000 0.949 38 F CB 1.639 40.675 39.000 0.060 0.000 1.322 38 F HN 0.657 nan 8.300 nan 0.000 0.461 39 S N 2.667 118.370 115.700 0.005 0.000 2.568 39 S HA 0.786 5.256 4.470 0.000 0.000 0.293 39 S C -0.910 173.669 174.600 -0.036 0.000 1.089 39 S CA -0.806 57.249 58.200 -0.243 0.000 0.945 39 S CB 1.821 64.828 63.200 -0.322 0.000 1.077 39 S HN 0.714 nan 8.310 nan 0.000 0.485 40 M N 1.730 121.200 119.600 -0.216 0.000 2.593 40 M HA 0.518 4.998 4.480 0.000 0.000 0.290 40 M C -1.789 174.594 176.300 0.139 0.000 1.244 40 M CA -0.422 55.009 55.300 0.218 0.000 0.857 40 M CB 2.135 34.972 32.600 0.396 0.000 1.738 40 M HN 0.571 nan 8.290 nan 0.000 0.461 41 W N 0.915 122.528 121.300 0.521 0.000 2.915 41 W HA 0.293 4.953 4.660 0.000 0.000 0.337 41 W C -1.468 175.138 176.519 0.146 0.000 1.102 41 W CA -0.660 56.893 57.345 0.347 0.000 1.224 41 W CB 1.680 31.269 29.460 0.216 0.000 1.416 41 W HN 0.642 nan 8.180 nan 0.000 0.503 42 W N 4.679 125.709 121.300 -0.450 0.000 2.332 42 W HA 0.398 5.058 4.660 0.000 0.000 0.306 42 W C -0.168 176.172 176.519 -0.299 0.000 1.149 42 W CA -0.876 56.112 57.345 -0.595 0.000 1.271 42 W CB 0.416 29.043 29.460 -1.388 0.000 1.243 42 W HN 0.291 nan 8.180 nan 0.000 0.459 43 L N 6.801 128.020 121.223 -0.005 0.000 2.628 43 L HA 0.382 4.722 4.340 0.000 0.000 0.229 43 L C 1.112 177.787 176.870 -0.325 0.000 1.137 43 L CA 0.295 55.016 54.840 -0.199 0.000 0.909 43 L CB -0.969 40.968 42.059 -0.203 0.000 1.137 43 L HN 0.699 nan 8.230 nan 0.000 0.470 44 G N -1.283 107.130 108.800 -0.646 0.000 2.675 44 G HA2 -0.125 3.835 3.960 0.000 0.000 0.686 44 G HA3 -0.125 3.835 3.960 0.000 0.000 0.686 44 G C -0.020 174.729 174.900 -0.252 0.000 1.215 44 G CA -0.747 43.920 45.100 -0.722 0.000 0.777 44 G HN 0.196 nan 8.290 nan 0.000 0.638 45 C N -0.712 118.433 119.300 -0.257 0.000 0.385 45 C HA -0.282 4.178 4.460 0.000 0.000 0.026 45 C C 2.683 177.541 174.990 -0.221 0.000 0.223 45 C CA 3.647 62.446 59.018 -0.365 0.000 0.515 45 C CB -1.143 26.289 27.740 -0.513 0.000 3.212 45 C HN 2.879 nan 8.230 nan 0.000 1.116 46 T N 0.451 114.719 114.554 -0.476 0.000 3.174 46 T HA 0.486 4.836 4.350 0.000 0.000 0.269 46 T C 0.484 175.282 174.700 0.163 0.000 1.017 46 T CA 1.104 62.860 62.100 -0.573 0.000 0.899 46 T CB -0.228 68.181 68.868 -0.765 0.000 1.077 46 T HN 1.824 nan 8.240 nan 0.000 0.552 47 G N 1.874 110.821 108.800 0.244 0.000 2.365 47 G HA2 0.515 4.476 3.960 0.000 0.000 0.249 47 G HA3 0.515 4.476 3.960 0.000 0.000 0.249 47 G C -0.563 174.607 174.900 0.450 0.000 1.288 47 G CA -0.319 44.998 45.100 0.361 0.000 0.887 47 G HN 0.461 nan 8.290 nan 0.000 0.524 48 I N 2.262 123.083 120.570 0.419 0.000 2.582 48 I HA 0.321 4.491 4.170 0.000 0.000 0.292 48 I C -0.973 175.339 176.117 0.325 0.000 1.066 48 I CA -1.068 60.499 61.300 0.444 0.000 1.053 48 I CB 2.196 40.513 38.000 0.528 0.000 1.241 48 I HN 0.580 nan 8.210 nan 0.000 0.421 49 W N 7.888 129.340 121.300 0.254 0.000 2.429 49 W HA 0.536 5.196 4.660 0.000 0.000 0.314 49 W C -1.733 175.023 176.519 0.395 0.000 1.062 49 W CA -0.687 56.790 57.345 0.221 0.000 1.211 49 W CB 1.704 31.242 29.460 0.130 0.000 1.305 49 W HN 0.395 nan 8.180 nan 0.000 0.476 50 L N 6.955 128.233 121.223 0.091 0.000 2.346 50 L HA 0.526 4.866 4.340 0.000 0.000 0.276 50 L C -0.865 176.188 176.870 0.305 0.000 1.006 50 L CA -0.495 54.522 54.840 0.294 0.000 0.817 50 L CB 1.592 43.738 42.059 0.146 0.000 1.272 50 L HN 0.425 nan 8.230 nan 0.000 0.421 51 K N 3.342 124.045 120.400 0.505 0.000 2.507 51 K HA 0.464 4.784 4.320 0.000 0.000 0.252 51 K C -0.766 176.039 176.600 0.342 0.000 0.943 51 K CA -0.519 56.040 56.287 0.452 0.000 0.808 51 K CB 1.562 34.455 32.500 0.654 0.000 1.142 51 K HN 0.760 nan 8.250 nan 0.000 0.426 52 S N 2.348 118.183 115.700 0.225 0.000 2.669 52 S HA 0.390 4.860 4.470 0.000 0.000 0.270 52 S C 1.235 175.930 174.600 0.158 0.000 1.225 52 S CA -0.233 58.076 58.200 0.181 0.000 0.991 52 S CB 1.549 64.804 63.200 0.091 0.000 0.987 52 S HN 0.666 nan 8.310 nan 0.000 0.552 53 A N 0.579 123.477 122.820 0.131 0.000 2.067 53 A HA 0.202 4.522 4.320 0.000 0.000 0.219 53 A C 1.899 179.527 177.584 0.073 0.000 1.158 53 A CA 1.245 53.340 52.037 0.098 0.000 0.661 53 A CB -1.440 17.608 19.000 0.081 0.000 0.801 53 A HN 1.148 nan 8.150 nan 0.000 0.452 54 G N -1.318 107.521 108.800 0.064 0.000 3.088 54 G HA2 0.112 4.073 3.960 0.000 0.000 0.212 54 G HA3 0.112 4.073 3.960 0.000 0.000 0.212 54 G C 0.473 175.404 174.900 0.050 0.000 1.173 54 G CA 0.440 45.566 45.100 0.044 0.000 0.779 54 G HN 0.713 nan 8.290 nan 0.000 0.540 55 N N -0.635 118.112 118.700 0.079 0.000 2.776 55 N HA -0.167 4.573 4.740 0.000 0.000 0.249 55 N C -0.507 175.053 175.510 0.084 0.000 1.111 55 N CA 0.375 53.481 53.050 0.093 0.000 0.711 55 N CB -1.161 37.368 38.487 0.071 0.000 1.065 55 N HN 0.211 nan 8.380 nan 0.000 0.556 56 T N 1.399 115.996 114.554 0.071 0.000 2.856 56 T HA 0.321 4.672 4.350 0.000 0.000 0.292 56 T C -0.155 174.583 174.700 0.063 0.000 0.980 56 T CA -0.052 62.073 62.100 0.041 0.000 1.091 56 T CB 0.904 69.773 68.868 0.002 0.000 0.936 56 T HN 0.253 nan 8.240 nan 0.000 0.503 57 N N 2.477 121.193 118.700 0.028 0.000 2.354 57 N HA 0.586 5.326 4.740 0.000 0.000 0.287 57 N C -1.237 174.065 175.510 -0.346 0.000 1.016 57 N CA -0.565 52.464 53.050 -0.035 0.000 0.871 57 N CB 1.501 40.142 38.487 0.257 0.000 1.299 57 N HN 0.395 nan 8.380 nan 0.000 0.482 58 L N 0.513 121.388 121.223 -0.579 0.000 2.381 58 L HA 0.654 4.994 4.340 0.000 0.000 0.268 58 L C -0.271 176.055 176.870 -0.906 0.000 0.997 58 L CA -0.898 53.578 54.840 -0.606 0.000 0.818 58 L CB 2.083 43.925 42.059 -0.361 0.000 1.310 58 L HN 0.411 nan 8.230 nan 0.000 0.416 59 S N 2.877 118.145 115.700 -0.719 0.000 2.449 59 S HA 0.749 5.219 4.470 0.000 0.000 0.310 59 S C -0.772 173.726 174.600 -0.171 0.000 1.096 59 S CA -0.448 57.475 58.200 -0.461 0.000 1.095 59 S CB 0.542 63.562 63.200 -0.299 0.000 1.007 59 S HN 0.446 nan 8.310 nan 0.000 0.474 60 I N 3.603 124.159 120.570 -0.023 0.000 2.418 60 I HA 0.360 4.531 4.170 0.000 0.000 0.287 60 I C -0.525 175.683 176.117 0.152 0.000 1.008 60 I CA -0.613 60.682 61.300 -0.008 0.000 1.104 60 I CB 1.769 39.711 38.000 -0.096 0.000 1.264 60 I HN 0.566 nan 8.210 nan 0.000 0.438 61 D N 3.500 124.009 120.400 0.181 0.000 2.811 61 D HA -0.263 4.378 4.640 0.000 0.000 0.231 61 D C -0.299 176.190 176.300 0.315 0.000 1.157 61 D CA 0.954 55.102 54.000 0.248 0.000 0.716 61 D CB -0.978 39.995 40.800 0.290 0.000 1.077 61 D HN 0.293 nan 8.370 nan 0.000 0.428 62 F N 0.885 120.932 119.950 0.163 0.000 2.494 62 F HA 0.353 4.881 4.527 0.000 0.000 0.369 62 F C -0.107 175.815 175.800 0.203 0.000 1.098 62 F CA -1.210 56.885 58.000 0.158 0.000 1.154 62 F CB 0.079 39.169 39.000 0.150 0.000 1.103 62 F HN 0.076 nan 8.300 nan 0.000 0.549 63 W N 7.623 128.922 121.300 -0.001 0.000 2.471 63 W HA 0.442 5.102 4.660 0.000 0.000 0.318 63 W C -1.109 175.232 176.519 -0.297 0.000 1.034 63 W CA -1.365 55.860 57.345 -0.200 0.000 1.224 63 W CB 1.427 30.770 29.460 -0.196 0.000 1.335 63 W HN 0.490 nan 8.180 nan 0.000 0.452 64 C N 5.614 124.430 119.300 -0.807 0.000 2.742 64 C HA 0.505 4.965 4.460 0.000 0.000 0.283 64 C C 1.185 175.782 174.990 -0.655 0.000 1.451 64 C CA -0.066 58.585 59.018 -0.612 0.000 1.785 64 C CB -1.237 26.273 27.740 -0.383 0.000 2.664 64 C HN 0.789 nan 8.230 nan 0.000 0.544 65 G N 0.267 108.085 108.800 -1.636 0.000 2.537 65 G HA2 0.570 4.530 3.960 0.000 0.000 0.297 65 G HA3 0.570 4.530 3.960 0.000 0.000 0.297 65 G C -0.338 174.034 174.900 -0.880 0.000 1.310 65 G CA 0.174 44.741 45.100 -0.889 0.000 1.027 65 G HN 0.263 nan 8.290 nan 0.000 0.505 66 T N -2.754 111.728 114.554 -0.120 0.000 2.742 66 T HA 0.662 5.012 4.350 0.000 0.000 0.282 66 T C 0.804 175.824 174.700 0.534 0.000 1.025 66 T CA 0.408 62.588 62.100 0.133 0.000 1.020 66 T CB 1.163 70.103 68.868 0.120 0.000 1.317 66 T HN 0.818 nan 8.240 nan 0.000 0.538 67 G N 0.697 109.844 108.800 0.579 0.000 2.829 67 G HA2 0.462 4.422 3.960 0.000 0.000 0.173 67 G HA3 0.462 4.422 3.960 0.000 0.000 0.173 67 G C -0.518 174.533 174.900 0.252 0.000 1.476 67 G CA -0.424 45.007 45.100 0.551 0.000 1.072 67 G HN 0.670 nan 8.290 nan 0.000 0.577 68 K N 0.310 120.797 120.400 0.145 0.000 2.380 68 K HA 0.165 4.485 4.320 0.000 0.000 0.267 68 K C 0.377 177.028 176.600 0.085 0.000 0.990 68 K CA 0.299 56.632 56.287 0.077 0.000 0.946 68 K CB 1.180 33.699 32.500 0.032 0.000 0.937 68 K HN 0.462 nan 8.250 nan 0.000 0.491 69 K N -0.009 120.424 120.400 0.055 0.000 2.477 69 K HA 0.082 4.403 4.320 0.000 0.000 0.208 69 K C 0.192 176.812 176.600 0.032 0.000 1.117 69 K CA -0.025 56.287 56.287 0.042 0.000 1.039 69 K CB 1.206 33.722 32.500 0.027 0.000 0.937 69 K HN 0.624 nan 8.250 nan 0.000 0.570 70 T N -0.472 114.099 114.554 0.028 0.000 2.830 70 T HA 0.131 4.481 4.350 0.000 0.000 0.322 70 T C -0.869 173.840 174.700 0.015 0.000 1.501 70 T CA -0.445 61.668 62.100 0.021 0.000 1.036 70 T CB 1.826 70.704 68.868 0.016 0.000 1.379 70 T HN 0.022 nan 8.240 nan 0.000 0.493 71 Q N 1.031 120.839 119.800 0.013 0.000 2.282 71 Q HA 0.232 4.572 4.340 0.000 0.000 0.206 71 Q C 1.744 177.745 176.000 0.003 0.000 0.878 71 Q CA -0.226 55.581 55.803 0.006 0.000 0.944 71 Q CB 0.458 29.201 28.738 0.008 0.000 1.100 71 Q HN 0.563 nan 8.270 nan 0.000 0.509 72 K N 1.533 121.936 120.400 0.005 0.000 2.032 72 K HA -0.145 4.175 4.320 0.000 0.000 0.209 72 K C 0.840 177.440 176.600 0.001 0.000 1.048 72 K CA 1.012 57.301 56.287 0.004 0.000 0.927 72 K CB 0.078 32.581 32.500 0.006 0.000 0.712 72 K HN 0.037 nan 8.250 nan 0.000 0.441 73 N N 1.174 119.873 118.700 -0.001 0.000 2.401 73 N HA -0.002 4.738 4.740 0.000 0.000 0.255 73 N C -0.161 175.342 175.510 -0.011 0.000 1.110 73 N CA 0.173 53.220 53.050 -0.005 0.000 0.949 73 N CB 0.644 39.128 38.487 -0.004 0.000 1.110 73 N HN 0.062 nan 8.380 nan 0.000 0.490 74 R N 2.842 123.336 120.500 -0.011 0.000 2.317 74 R HA 0.224 4.565 4.340 0.000 0.000 0.208 74 R C -0.215 176.072 176.300 -0.021 0.000 0.914 74 R CA 0.107 56.199 56.100 -0.015 0.000 1.060 74 R CB -0.009 30.285 30.300 -0.010 0.000 1.015 74 R HN 0.504 nan 8.270 nan 0.000 0.498 75 L N 0.623 121.833 121.223 -0.022 0.000 2.346 75 L HA 0.488 4.828 4.340 0.000 0.000 0.274 75 L C 0.073 176.919 176.870 -0.039 0.000 1.007 75 L CA -0.730 54.094 54.840 -0.025 0.000 0.818 75 L CB 2.055 44.105 42.059 -0.014 0.000 1.284 75 L HN -0.121 nan 8.230 nan 0.000 0.424 76 M N 2.349 121.919 119.600 -0.051 0.000 2.233 76 M HA 0.228 4.708 4.480 0.000 0.000 0.350 76 M C -0.167 176.111 176.300 -0.036 0.000 1.176 76 M CA -0.350 54.902 55.300 -0.080 0.000 1.150 76 M CB 0.628 33.169 32.600 -0.099 0.000 1.530 76 M HN 0.513 nan 8.290 nan 0.000 0.459 77 N N 2.806 121.489 118.700 -0.028 0.000 2.412 77 N HA 0.023 4.764 4.740 0.000 0.000 0.258 77 N C -0.546 174.994 175.510 0.051 0.000 1.236 77 N CA 0.243 53.309 53.050 0.027 0.000 0.882 77 N CB 0.429 38.954 38.487 0.064 0.000 1.066 77 N HN 0.653 nan 8.380 nan 0.000 0.465 78 T N 0.025 114.601 114.554 0.037 0.000 2.934 78 T HA -0.004 4.346 4.350 0.000 0.000 0.306 78 T C 0.583 175.308 174.700 0.043 0.000 1.042 78 T CA -0.262 61.858 62.100 0.033 0.000 1.145 78 T CB 0.370 69.252 68.868 0.023 0.000 0.982 78 T HN 0.596 nan 8.240 nan 0.000 0.544 79 Q N -0.859 118.961 119.800 0.034 0.000 2.481 79 Q HA -0.253 4.087 4.340 0.000 0.000 0.258 79 Q C 0.294 176.312 176.000 0.030 0.000 0.961 79 Q CA 0.938 56.750 55.803 0.014 0.000 1.121 79 Q CB -1.555 27.177 28.738 -0.010 0.000 1.503 79 Q HN 0.926 nan 8.270 nan 0.000 0.544 80 H N 1.439 120.496 119.070 -0.021 0.000 2.929 80 H HA -0.040 4.516 4.556 0.000 0.000 0.358 80 H C 1.667 176.980 175.328 -0.025 0.000 1.111 80 H CA 1.312 57.348 56.048 -0.021 0.000 1.409 80 H CB 0.891 30.637 29.762 -0.027 0.000 1.373 80 H HN 0.298 nan 8.280 nan 0.000 0.610 81 Q N 3.713 123.256 119.800 -0.428 0.000 2.152 81 Q HA -0.190 4.150 4.340 0.000 0.000 0.206 81 Q C 1.671 177.684 176.000 0.022 0.000 0.985 81 Q CA 1.354 57.054 55.803 -0.171 0.000 0.863 81 Q CB -0.235 28.384 28.738 -0.198 0.000 0.904 81 Q HN 0.644 nan 8.270 nan 0.000 0.422 82 M N -0.069 119.681 119.600 0.250 0.000 2.319 82 M HA 0.024 4.504 4.480 0.000 0.000 0.265 82 M C 2.158 178.518 176.300 0.099 0.000 1.068 82 M CA 1.034 56.443 55.300 0.182 0.000 1.118 82 M CB -0.652 32.056 32.600 0.181 0.000 1.395 82 M HN 0.346 nan 8.290 nan 0.000 0.435 83 M N -0.106 119.559 119.600 0.109 0.000 2.156 83 M HA -0.168 4.312 4.480 0.000 0.000 0.264 83 M C 2.194 178.500 176.300 0.009 0.000 1.067 83 M CA 1.603 56.930 55.300 0.046 0.000 1.131 83 M CB -0.087 32.542 32.600 0.048 0.000 1.368 83 M HN 0.097 nan 8.290 nan 0.000 0.416 84 R N -0.183 120.312 120.500 -0.009 0.000 2.073 84 R HA -0.099 4.241 4.340 0.000 0.000 0.234 84 R C 2.122 178.396 176.300 -0.044 0.000 1.134 84 R CA 1.954 58.017 56.100 -0.061 0.000 0.952 84 R CB -0.385 29.864 30.300 -0.084 0.000 0.850 84 R HN 0.457 nan 8.270 nan 0.000 0.433 85 M N -1.070 118.524 119.600 -0.009 0.000 2.200 85 M HA 0.001 4.481 4.480 0.000 0.000 0.265 85 M C 1.946 178.255 176.300 0.016 0.000 1.066 85 M CA 1.627 56.932 55.300 0.008 0.000 1.127 85 M CB 0.144 32.765 32.600 0.035 0.000 1.379 85 M HN 0.308 nan 8.290 nan 0.000 0.420 86 G N -1.441 107.371 108.800 0.019 0.000 3.192 86 G HA2 0.353 4.313 3.960 0.000 0.000 0.239 86 G HA3 0.353 4.313 3.960 0.000 0.000 0.239 86 G C 0.936 175.843 174.900 0.012 0.000 1.084 86 G CA 0.297 45.408 45.100 0.017 0.000 0.784 86 G HN 0.570 nan 8.290 nan 0.000 0.540 87 G N 0.035 108.840 108.800 0.009 0.000 2.249 87 G HA2 -0.077 3.883 3.960 0.000 0.000 0.273 87 G HA3 -0.077 3.883 3.960 0.000 0.000 0.273 87 G C 0.450 175.355 174.900 0.008 0.000 1.036 87 G CA 0.636 45.742 45.100 0.010 0.000 0.824 87 G HN 1.478 nan 8.290 nan 0.000 0.504 88 V N -4.343 115.574 119.914 0.005 0.000 3.109 88 V HA 0.865 4.985 4.120 0.000 0.000 0.317 88 V C 0.837 176.929 176.094 -0.004 0.000 1.074 88 V CA 0.226 62.524 62.300 -0.003 0.000 1.033 88 V CB 1.763 33.579 31.823 -0.011 0.000 1.111 88 V HN 0.238 nan 8.190 nan 0.000 0.458 89 E N 0.880 121.074 120.200 -0.010 0.000 2.444 89 E HA 0.419 4.769 4.350 0.000 0.000 0.209 89 E C 0.844 177.431 176.600 -0.023 0.000 0.806 89 E CA 0.322 56.715 56.400 -0.012 0.000 1.240 89 E CB 1.071 30.768 29.700 -0.005 0.000 1.238 89 E HN 0.957 nan 8.360 nan 0.000 0.591 90 A N 1.495 124.299 122.820 -0.028 0.000 2.351 90 A HA 0.298 4.618 4.320 0.000 0.000 0.257 90 A C -0.057 177.494 177.584 -0.055 0.000 1.087 90 A CA -0.403 51.614 52.037 -0.035 0.000 0.798 90 A CB 0.245 19.227 19.000 -0.029 0.000 1.033 90 A HN 0.198 nan 8.150 nan 0.000 0.488 91 L N 0.689 121.878 121.223 -0.057 0.000 2.543 91 L HA 0.033 4.373 4.340 0.000 0.000 0.285 91 L C 0.845 177.660 176.870 -0.092 0.000 1.236 91 L CA 0.765 55.558 54.840 -0.079 0.000 0.871 91 L CB 0.305 42.329 42.059 -0.057 0.000 1.121 91 L HN 0.794 nan 8.230 nan 0.000 0.501 92 Q N 6.405 126.124 119.800 -0.135 0.000 2.286 92 Q HA 0.286 4.626 4.340 0.000 0.000 0.257 92 Q C -2.081 173.851 176.000 -0.114 0.000 0.941 92 Q CA -1.656 54.065 55.803 -0.137 0.000 0.912 92 Q CB 1.209 29.826 28.738 -0.202 0.000 1.192 92 Q HN 0.422 nan 8.270 nan 0.000 0.410 93 P HA 0.058 nan 4.420 nan 0.000 0.214 93 P C -1.288 175.996 177.300 -0.027 0.000 1.807 93 P CA -0.256 62.821 63.100 -0.039 0.000 0.921 93 P CB -0.551 31.141 31.700 -0.014 0.000 1.835 94 N N 1.904 120.531 118.700 -0.123 0.000 2.415 94 N HA 0.101 4.841 4.740 0.000 0.000 0.250 94 N C -0.697 174.852 175.510 0.066 0.000 1.127 94 N CA -0.183 52.751 53.050 -0.192 0.000 0.945 94 N CB 0.709 38.681 38.487 -0.857 0.000 1.196 94 N HN 0.178 nan 8.380 nan 0.000 0.499 95 L N 1.301 122.708 121.223 0.306 0.000 2.307 95 L HA 0.434 4.774 4.340 0.000 0.000 0.284 95 L C 0.926 178.110 176.870 0.522 0.000 1.023 95 L CA -1.027 54.026 54.840 0.354 0.000 0.810 95 L CB 1.737 43.926 42.059 0.217 0.000 1.231 95 L HN 0.405 nan 8.230 nan 0.000 0.423 96 R N 0.948 121.725 120.500 0.462 0.000 2.401 96 R HA 0.110 4.450 4.340 0.000 0.000 0.299 96 R C 0.531 176.910 176.300 0.132 0.000 1.064 96 R CA 0.317 56.563 56.100 0.245 0.000 1.000 96 R CB 0.658 31.034 30.300 0.127 0.000 0.973 96 R HN 0.807 nan 8.270 nan 0.000 0.438 97 T N -0.736 113.851 114.554 0.054 0.000 3.044 97 T HA 0.210 4.560 4.350 0.000 0.000 0.260 97 T C 0.106 174.779 174.700 -0.045 0.000 1.019 97 T CA -0.381 61.744 62.100 0.042 0.000 0.921 97 T CB 0.479 69.401 68.868 0.090 0.000 1.053 97 T HN 0.294 nan 8.240 nan 0.000 0.533 98 S N 1.987 117.592 115.700 -0.157 0.000 2.549 98 S HA 0.704 5.174 4.470 0.000 0.000 0.297 98 S C 0.204 174.659 174.600 -0.242 0.000 1.115 98 S CA -1.000 57.043 58.200 -0.262 0.000 1.059 98 S CB 0.926 63.854 63.200 -0.453 0.000 1.046 98 S HN 0.496 nan 8.310 nan 0.000 0.506 99 I N -0.900 119.543 120.570 -0.212 0.000 3.322 99 I HA 0.479 4.649 4.170 0.000 0.000 0.296 99 I C -0.617 175.344 176.117 -0.260 0.000 1.101 99 I CA -0.295 60.948 61.300 -0.095 0.000 1.166 99 I CB -0.174 37.781 38.000 -0.075 0.000 1.475 99 I HN 0.356 nan 8.210 nan 0.000 0.665 100 F N 2.114 121.873 119.950 -0.319 0.000 2.293 100 F HA 0.454 4.981 4.527 0.000 0.000 0.370 100 F C -1.629 173.927 175.800 -0.407 0.000 1.090 100 F CA -2.004 55.821 58.000 -0.292 0.000 1.133 100 F CB 0.662 39.563 39.000 -0.166 0.000 1.360 100 F HN 0.412 nan 8.300 nan 0.000 0.489 101 P HA -0.016 nan 4.420 nan 0.000 0.236 101 P C -0.083 177.107 177.300 -0.184 0.000 1.177 101 P CA 0.739 63.351 63.100 -0.813 0.000 0.773 101 P CB 0.970 32.018 31.700 -1.086 0.000 0.878 102 L N 0.472 121.675 121.223 -0.032 0.000 2.409 102 L HA 0.495 4.835 4.340 0.000 0.000 0.272 102 L C -1.005 176.004 176.870 0.233 0.000 0.980 102 L CA -0.862 54.010 54.840 0.054 0.000 0.826 102 L CB 1.980 43.950 42.059 -0.149 0.000 1.268 102 L HN -0.362 nan 8.230 nan 0.000 0.407 103 D N 6.568 127.073 120.400 0.175 0.000 2.336 103 D HA 0.254 4.894 4.640 0.000 0.000 0.249 103 D C -1.755 174.677 176.300 0.220 0.000 1.213 103 D CA -1.988 52.134 54.000 0.204 0.000 0.870 103 D CB 1.697 42.589 40.800 0.154 0.000 1.076 103 D HN 0.364 nan 8.370 nan 0.000 0.483 104 P HA -0.113 nan 4.420 nan 0.000 0.220 104 P C 1.106 178.348 177.300 -0.097 0.000 1.148 104 P CA 0.699 63.866 63.100 0.112 0.000 0.803 104 P CB -0.018 31.552 31.700 -0.216 0.000 0.782 105 F N -0.077 119.907 119.950 0.057 0.000 2.811 105 F HA 0.216 4.744 4.527 0.000 0.000 0.301 105 F C 2.173 177.985 175.800 0.021 0.000 1.151 105 F CA 0.406 58.422 58.000 0.026 0.000 1.412 105 F CB -0.392 38.605 39.000 -0.004 0.000 1.113 105 F HN -0.035 nan 8.300 nan 0.000 0.579 106 A N -0.350 122.554 122.820 0.140 0.000 2.431 106 A HA 0.324 4.644 4.320 0.000 0.000 0.239 106 A C 0.726 178.316 177.584 0.010 0.000 1.230 106 A CA -0.275 51.801 52.037 0.065 0.000 0.928 106 A CB -0.405 18.620 19.000 0.042 0.000 1.006 106 A HN 0.183 nan 8.150 nan 0.000 0.520 107 I N 1.144 121.726 120.570 0.021 0.000 2.618 107 I HA 0.012 4.182 4.170 0.000 0.000 0.284 107 I C 1.305 177.441 176.117 0.032 0.000 1.146 107 I CA 0.300 61.609 61.300 0.015 0.000 1.425 107 I CB 1.101 39.172 38.000 0.117 0.000 1.383 107 I HN 0.451 nan 8.210 nan 0.000 0.562 108 K N 4.163 124.578 120.400 0.025 0.000 2.511 108 K HA 0.264 4.584 4.320 0.000 0.000 0.209 108 K C 0.291 176.933 176.600 0.070 0.000 1.301 108 K CA -0.317 55.993 56.287 0.039 0.000 0.967 108 K CB 0.649 33.160 32.500 0.017 0.000 1.109 108 K HN 0.509 nan 8.250 nan 0.000 0.561 109 E N 1.801 122.059 120.200 0.098 0.000 2.185 109 E HA 0.533 4.883 4.350 0.000 0.000 0.261 109 E C -1.631 175.128 176.600 0.266 0.000 0.879 109 E CA -0.691 55.798 56.400 0.147 0.000 0.756 109 E CB 1.292 31.058 29.700 0.110 0.000 1.152 109 E HN 0.301 nan 8.360 nan 0.000 0.416 110 I N 3.422 124.112 120.570 0.200 0.000 2.800 110 I HA 0.154 4.324 4.170 0.000 0.000 0.294 110 I C -0.900 175.243 176.117 0.043 0.000 1.538 110 I CA -0.397 60.971 61.300 0.114 0.000 1.010 110 I CB 2.066 40.099 38.000 0.056 0.000 1.381 110 I HN 0.599 nan 8.210 nan 0.000 0.462 111 D N 4.362 124.733 120.400 -0.049 0.000 2.463 111 D HA 0.367 5.007 4.640 0.000 0.000 0.237 111 D C 0.011 176.212 176.300 -0.164 0.000 1.013 111 D CA 0.548 54.538 54.000 -0.016 0.000 0.910 111 D CB 1.310 42.105 40.800 -0.009 0.000 1.080 111 D HN 0.504 nan 8.370 nan 0.000 0.498 112 A N 0.388 123.039 122.820 -0.282 0.000 2.594 112 A HA 0.539 4.859 4.320 0.000 0.000 0.295 112 A C -1.373 175.935 177.584 -0.459 0.000 1.071 112 A CA -0.506 51.307 52.037 -0.373 0.000 0.685 112 A CB 1.804 20.632 19.000 -0.287 0.000 1.285 112 A HN -0.111 nan 8.150 nan 0.000 0.405 113 V N 2.180 121.744 119.914 -0.583 0.000 2.384 113 V HA 0.513 4.633 4.120 0.000 0.000 0.287 113 V C -0.802 175.137 176.094 -0.257 0.000 1.020 113 V CA -0.310 61.705 62.300 -0.475 0.000 0.850 113 V CB 0.972 32.354 31.823 -0.734 0.000 0.987 113 V HN 0.709 nan 8.190 nan 0.000 0.436 114 L N 4.162 125.322 121.223 -0.105 0.000 2.334 114 L HA 0.906 5.246 4.340 0.000 0.000 0.273 114 L C 0.212 177.223 176.870 0.234 0.000 1.013 114 L CA -0.169 54.662 54.840 -0.015 0.000 0.816 114 L CB 1.902 43.731 42.059 -0.385 0.000 1.278 114 L HN 0.752 nan 8.230 nan 0.000 0.431 115 A N 0.381 123.430 122.820 0.382 0.000 2.359 115 A HA 0.571 4.891 4.320 0.000 0.000 0.303 115 A C 0.470 178.231 177.584 0.294 0.000 1.066 115 A CA 0.117 52.319 52.037 0.275 0.000 0.730 115 A CB 1.370 20.407 19.000 0.062 0.000 1.211 115 A HN 0.776 nan 8.150 nan 0.000 0.439 116 S N 1.245 117.102 115.700 0.262 0.000 2.414 116 S HA 0.065 4.535 4.470 0.000 0.000 0.227 116 S C 0.751 175.418 174.600 0.112 0.000 1.022 116 S CA 1.308 59.618 58.200 0.182 0.000 0.958 116 S CB -0.414 62.951 63.200 0.275 0.000 0.797 116 S HN 1.223 nan 8.310 nan 0.000 0.493 117 H N -0.350 118.646 119.070 -0.125 0.000 2.932 117 H HA 0.345 4.901 4.556 0.000 0.000 0.307 117 H C -1.218 173.973 175.328 -0.229 0.000 1.391 117 H CA -0.199 55.708 56.048 -0.234 0.000 1.130 117 H CB 0.054 29.617 29.762 -0.331 0.000 1.836 117 H HN 0.164 nan 8.280 nan 0.000 0.522 118 D N -0.580 119.625 120.400 -0.325 0.000 2.336 118 D HA -0.005 4.635 4.640 0.000 0.000 0.229 118 D C -0.143 175.998 176.300 -0.266 0.000 1.061 118 D CA -0.142 53.654 54.000 -0.341 0.000 0.875 118 D CB -0.689 39.929 40.800 -0.303 0.000 0.904 118 D HN 0.530 nan 8.370 nan 0.000 0.525 119 H N -0.103 118.777 119.070 -0.316 0.000 2.897 119 H HA 0.265 4.821 4.556 0.000 0.000 0.347 119 H C 1.505 176.750 175.328 -0.138 0.000 1.068 119 H CA 0.049 56.000 56.048 -0.163 0.000 1.426 119 H CB 1.425 31.175 29.762 -0.019 0.000 1.410 119 H HN 0.096 nan 8.280 nan 0.000 0.597 120 A N 2.775 125.647 122.820 0.088 0.000 1.948 120 A HA -0.231 4.089 4.320 0.000 0.000 0.220 120 A C 1.668 179.095 177.584 -0.261 0.000 1.177 120 A CA 1.900 53.957 52.037 0.033 0.000 0.636 120 A CB -0.304 18.761 19.000 0.109 0.000 0.815 120 A HN 0.911 nan 8.150 nan 0.000 0.449 121 D N -1.956 118.128 120.400 -0.527 0.000 2.323 121 D HA -0.043 4.597 4.640 0.000 0.000 0.239 121 D C 0.610 176.327 176.300 -0.972 0.000 1.129 121 D CA 0.364 53.448 54.000 -1.526 0.000 0.865 121 D CB -0.642 39.318 40.800 -1.401 0.000 0.913 121 D HN 0.707 nan 8.370 nan 0.000 0.517 122 H N -0.517 118.325 119.070 -0.380 0.000 3.398 122 H HA 0.393 4.949 4.556 0.000 0.000 0.260 122 H C -0.056 175.259 175.328 -0.022 0.000 1.189 122 H CA -0.249 55.696 56.048 -0.173 0.000 1.145 122 H CB 1.853 31.400 29.762 -0.359 0.000 1.599 122 H HN 0.144 nan 8.280 nan 0.000 0.615 123 I N 0.900 121.559 120.570 0.147 0.000 2.827 123 I HA 0.251 4.421 4.170 0.000 0.000 0.298 123 I C -1.823 174.553 176.117 0.430 0.000 1.235 123 I CA -0.619 60.836 61.300 0.258 0.000 1.021 123 I CB 3.117 41.131 38.000 0.023 0.000 1.259 123 I HN -0.100 nan 8.210 nan 0.000 0.427 124 D N 5.179 125.866 120.400 0.478 0.000 2.890 124 D HA 0.130 4.770 4.640 0.000 0.000 0.233 124 D C -0.054 176.234 176.300 -0.020 0.000 1.306 124 D CA -0.300 53.837 54.000 0.230 0.000 0.929 124 D CB 2.960 43.816 40.800 0.093 0.000 1.512 124 D HN 0.386 nan 8.370 nan 0.000 0.568 125 V N 4.678 124.230 119.914 -0.603 0.000 2.515 125 V HA -0.143 3.977 4.120 0.000 0.000 0.250 125 V C 1.694 177.592 176.094 -0.327 0.000 1.058 125 V CA 1.517 63.291 62.300 -0.876 0.000 1.064 125 V CB -0.263 30.666 31.823 -1.490 0.000 0.675 125 V HN 0.520 nan 8.190 nan 0.000 0.461 126 N N 0.052 118.609 118.700 -0.238 0.000 2.142 126 N HA -0.109 4.631 4.740 0.000 0.000 0.186 126 N C 1.779 177.102 175.510 -0.312 0.000 1.023 126 N CA 1.687 54.653 53.050 -0.141 0.000 0.852 126 N CB -0.290 38.170 38.487 -0.045 0.000 0.998 126 N HN 0.427 nan 8.380 nan 0.000 0.424 127 V N 2.057 121.809 119.914 -0.269 0.000 2.343 127 V HA -0.201 3.919 4.120 0.000 0.000 0.247 127 V C 2.575 178.633 176.094 -0.060 0.000 1.051 127 V CA 1.795 63.950 62.300 -0.242 0.000 1.036 127 V CB -0.921 30.788 31.823 -0.190 0.000 0.654 127 V HN 0.273 nan 8.190 nan 0.000 0.451 128 A N 0.124 123.010 122.820 0.110 0.000 1.865 128 A HA -0.165 4.155 4.320 0.000 0.000 0.217 128 A C 2.470 180.108 177.584 0.089 0.000 1.191 128 A CA 2.313 54.507 52.037 0.262 0.000 0.623 128 A CB -0.984 18.204 19.000 0.313 0.000 0.826 128 A HN 0.578 nan 8.150 nan 0.000 0.444 129 A N -0.110 122.703 122.820 -0.013 0.000 1.873 129 A HA 0.048 4.368 4.320 0.000 0.000 0.218 129 A C 2.559 180.118 177.584 -0.041 0.000 1.193 129 A CA 2.661 54.700 52.037 0.003 0.000 0.629 129 A CB -1.228 17.810 19.000 0.063 0.000 0.826 129 A HN 1.204 nan 8.150 nan 0.000 0.447 130 A N -0.811 121.819 122.820 -0.315 0.000 1.883 130 A HA -0.043 4.277 4.320 0.000 0.000 0.217 130 A C 2.255 179.761 177.584 -0.129 0.000 1.186 130 A CA 1.987 53.766 52.037 -0.431 0.000 0.624 130 A CB -0.987 17.391 19.000 -1.037 0.000 0.822 130 A HN 0.460 nan 8.150 nan 0.000 0.444 131 V N -0.092 119.781 119.914 -0.068 0.000 2.427 131 V HA -0.212 3.909 4.120 0.000 0.000 0.248 131 V C 2.531 178.645 176.094 0.033 0.000 1.051 131 V CA 1.807 64.101 62.300 -0.009 0.000 1.048 131 V CB -0.686 31.111 31.823 -0.043 0.000 0.666 131 V HN 0.553 nan 8.190 nan 0.000 0.456 132 L N -0.689 120.585 121.223 0.085 0.000 2.093 132 L HA -0.202 4.138 4.340 0.000 0.000 0.208 132 L C 2.640 179.534 176.870 0.041 0.000 1.085 132 L CA 1.535 56.416 54.840 0.068 0.000 0.755 132 L CB -0.540 41.550 42.059 0.051 0.000 0.904 132 L HN 0.353 nan 8.230 nan 0.000 0.435 133 Q N -0.171 119.658 119.800 0.048 0.000 2.016 133 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 133 Q C 1.868 177.899 176.000 0.051 0.000 0.978 133 Q CA 1.514 57.354 55.803 0.061 0.000 0.833 133 Q CB -0.044 28.759 28.738 0.107 0.000 0.895 133 Q HN 0.483 nan 8.270 nan 0.000 0.427 134 N N -0.793 117.935 118.700 0.046 0.000 2.415 134 N HA 0.020 4.761 4.740 0.000 0.000 0.176 134 N C 0.094 175.621 175.510 0.029 0.000 1.042 134 N CA 0.377 53.452 53.050 0.041 0.000 0.902 134 N CB 0.235 38.748 38.487 0.045 0.000 0.986 134 N HN 0.135 nan 8.380 nan 0.000 0.447 135 C N -0.195 119.111 119.300 0.010 0.000 2.486 135 C HA 0.761 5.221 4.460 0.000 0.000 0.348 135 C C 1.428 176.402 174.990 -0.026 0.000 1.203 135 C CA -1.404 57.608 59.018 -0.010 0.000 1.911 135 C CB 0.984 28.688 27.740 -0.061 0.000 2.340 135 C HN 0.326 nan 8.230 nan 0.000 0.511 136 G N 0.289 109.083 108.800 -0.010 0.000 2.750 136 G HA2 0.210 4.170 3.960 0.000 0.000 0.250 136 G HA3 0.210 4.170 3.960 0.000 0.000 0.250 136 G C 0.747 175.611 174.900 -0.060 0.000 1.230 136 G CA 0.099 45.226 45.100 0.044 0.000 0.883 136 G HN 0.954 nan 8.290 nan 0.000 0.573 137 E N -0.917 119.298 120.200 0.025 0.000 2.418 137 E HA -0.182 4.169 4.350 0.000 0.000 0.197 137 E C 1.604 178.201 176.600 -0.006 0.000 1.026 137 E CA 1.109 57.512 56.400 0.006 0.000 0.862 137 E CB -0.309 29.411 29.700 0.034 0.000 0.799 137 E HN 0.818 nan 8.360 nan 0.000 0.518 138 H N 0.761 119.830 119.070 -0.001 0.000 2.546 138 H HA 0.078 4.634 4.556 0.000 0.000 0.277 138 H C 0.314 175.621 175.328 -0.036 0.000 1.004 138 H CA 0.269 56.308 56.048 -0.015 0.000 1.231 138 H CB -0.371 29.379 29.762 -0.019 0.000 1.382 138 H HN -0.019 nan 8.280 nan 0.000 0.580 139 V N 3.453 123.049 119.914 -0.529 0.000 2.521 139 V HA 0.046 4.166 4.120 0.000 0.000 0.286 139 V C 0.450 176.406 176.094 -0.230 0.000 1.034 139 V CA -0.132 61.910 62.300 -0.432 0.000 1.045 139 V CB 0.969 32.504 31.823 -0.479 0.000 0.974 139 V HN 0.229 nan 8.190 nan 0.000 0.480 140 K N 4.042 124.295 120.400 -0.245 0.000 2.110 140 K HA 0.539 4.860 4.320 0.000 0.000 0.263 140 K C -0.955 175.414 176.600 -0.385 0.000 0.975 140 K CA -0.390 55.795 56.287 -0.170 0.000 0.895 140 K CB 1.452 33.881 32.500 -0.119 0.000 1.060 140 K HN 0.426 nan 8.250 nan 0.000 0.448 141 F N 2.466 122.190 119.950 -0.377 0.000 2.347 141 F HA 0.422 4.949 4.527 0.000 0.000 0.366 141 F C 0.307 175.889 175.800 -0.362 0.000 1.107 141 F CA -0.597 56.981 58.000 -0.703 0.000 1.058 141 F CB 0.677 38.904 39.000 -1.288 0.000 1.236 141 F HN 0.173 nan 8.300 nan 0.000 0.456 142 I N 2.997 123.550 120.570 -0.028 0.000 2.354 142 I HA 0.796 4.966 4.170 0.000 0.000 0.292 142 I C 0.370 176.751 176.117 0.441 0.000 0.989 142 I CA -0.310 61.091 61.300 0.168 0.000 1.188 142 I CB 1.483 39.479 38.000 -0.006 0.000 1.342 142 I HN 0.692 nan 8.210 nan 0.000 0.457 143 G N 6.504 115.573 108.800 0.447 0.000 2.506 143 G HA2 0.453 4.413 3.960 0.000 0.000 0.292 143 G HA3 0.453 4.413 3.960 0.000 0.000 0.292 143 G C -3.284 171.714 174.900 0.163 0.000 1.425 143 G CA -0.826 44.481 45.100 0.344 0.000 0.788 143 G HN 0.243 nan 8.290 nan 0.000 0.490 144 P HA 0.106 nan 4.420 nan 0.000 0.271 144 P C 0.439 177.711 177.300 -0.048 0.000 1.233 144 P CA -0.067 63.014 63.100 -0.032 0.000 0.789 144 P CB 1.172 32.816 31.700 -0.095 0.000 0.951 145 Q N 2.401 122.170 119.800 -0.051 0.000 2.118 145 Q HA -0.251 4.090 4.340 0.000 0.000 0.211 145 Q C 2.059 177.999 176.000 -0.102 0.000 0.998 145 Q CA 3.004 58.774 55.803 -0.055 0.000 0.872 145 Q CB -1.477 27.227 28.738 -0.056 0.000 0.925 145 Q HN 0.551 nan 8.270 nan 0.000 0.414 146 A N -1.173 121.562 122.820 -0.141 0.000 2.019 146 A HA -0.163 4.157 4.320 0.000 0.000 0.219 146 A C 2.364 179.771 177.584 -0.295 0.000 1.164 146 A CA 1.411 53.332 52.037 -0.194 0.000 0.644 146 A CB -0.844 18.041 19.000 -0.191 0.000 0.805 146 A HN 0.607 nan 8.150 nan 0.000 0.449 147 C N -1.735 117.366 119.300 -0.332 0.000 2.486 147 C HA 0.013 4.473 4.460 0.000 0.000 0.279 147 C C 2.684 177.331 174.990 -0.572 0.000 1.302 147 C CA 0.736 59.382 59.018 -0.620 0.000 1.720 147 C CB -1.047 26.276 27.740 -0.694 0.000 2.030 147 C HN 0.450 nan 8.230 nan 0.000 0.490 148 V N 1.708 121.538 119.914 -0.140 0.000 2.332 148 V HA -0.220 3.900 4.120 0.000 0.000 0.248 148 V C 2.059 178.136 176.094 -0.030 0.000 1.055 148 V CA 2.307 64.685 62.300 0.131 0.000 1.038 148 V CB -0.718 31.194 31.823 0.150 0.000 0.651 148 V HN 0.479 nan 8.190 nan 0.000 0.450 149 D N -0.339 119.980 120.400 -0.135 0.000 2.182 149 D HA -0.148 4.492 4.640 0.000 0.000 0.201 149 D C 1.879 178.008 176.300 -0.285 0.000 0.986 149 D CA 0.997 54.898 54.000 -0.165 0.000 0.847 149 D CB -0.210 40.495 40.800 -0.158 0.000 0.942 149 D HN 0.325 nan 8.370 nan 0.000 0.467 150 L N -0.259 120.680 121.223 -0.474 0.000 2.072 150 L HA -0.043 4.297 4.340 0.000 0.000 0.205 150 L C 1.957 178.241 176.870 -0.975 0.000 1.079 150 L CA 1.171 55.508 54.840 -0.838 0.000 0.752 150 L CB -0.425 41.014 42.059 -1.033 0.000 0.906 150 L HN 0.077 nan 8.230 nan 0.000 0.436 151 W N -0.185 120.770 121.300 -0.576 0.000 2.354 151 W HA -0.145 4.516 4.660 0.000 0.000 0.315 151 W C 2.446 178.843 176.519 -0.203 0.000 1.206 151 W CA 1.096 58.263 57.345 -0.297 0.000 1.290 151 W CB -1.081 28.256 29.460 -0.206 0.000 1.152 151 W HN 0.167 nan 8.180 nan 0.000 0.489 152 L N -0.068 121.177 121.223 0.036 0.000 2.013 152 L HA -0.182 4.158 4.340 0.000 0.000 0.212 152 L C 2.628 179.490 176.870 -0.012 0.000 1.073 152 L CA 1.806 56.643 54.840 -0.005 0.000 0.753 152 L CB -1.553 40.493 42.059 -0.022 0.000 0.890 152 L HN 0.022 nan 8.230 nan 0.000 0.432 153 G N -1.529 107.219 108.800 -0.087 0.000 2.509 153 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 153 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 153 G C 1.088 176.047 174.900 0.098 0.000 1.124 153 G CA 0.001 45.070 45.100 -0.051 0.000 0.776 153 G HN 0.323 nan 8.290 nan 0.000 0.547 154 W N -0.326 120.989 121.300 0.024 0.000 2.737 154 W HA 0.325 4.985 4.660 0.000 0.000 0.262 154 W C 1.751 178.273 176.519 0.005 0.000 1.282 154 W CA 0.526 57.888 57.345 0.028 0.000 1.386 154 W CB -0.212 29.287 29.460 0.065 0.000 1.099 154 W HN 0.372 nan 8.180 nan 0.000 0.621 155 G N -0.582 108.331 108.800 0.189 0.000 2.164 155 G HA2 -0.192 3.769 3.960 0.000 0.000 0.154 155 G HA3 -0.192 3.769 3.960 0.000 0.000 0.154 155 G C -0.269 174.637 174.900 0.010 0.000 1.014 155 G CA -0.303 44.845 45.100 0.081 0.000 0.683 155 G HN -0.067 nan 8.290 nan 0.000 0.500 156 V N 2.039 121.936 119.914 -0.027 0.000 2.572 156 V HA 0.336 4.457 4.120 0.000 0.000 0.291 156 V C -1.383 174.620 176.094 -0.152 0.000 1.039 156 V CA -0.948 61.218 62.300 -0.222 0.000 1.055 156 V CB 1.043 32.542 31.823 -0.541 0.000 0.969 156 V HN 0.154 nan 8.190 nan 0.000 0.482 157 P HA 0.092 nan 4.420 nan 0.000 0.268 157 P C 0.399 177.657 177.300 -0.070 0.000 1.204 157 P CA -0.235 62.821 63.100 -0.073 0.000 0.768 157 P CB 0.523 32.192 31.700 -0.051 0.000 0.842 158 Q N 3.659 123.437 119.800 -0.036 0.000 2.152 158 Q HA -0.275 4.065 4.340 0.000 0.000 0.206 158 Q C 1.543 177.537 176.000 -0.010 0.000 0.985 158 Q CA 2.314 58.106 55.803 -0.018 0.000 0.863 158 Q CB -1.058 27.675 28.738 -0.008 0.000 0.904 158 Q HN 0.644 nan 8.270 nan 0.000 0.422 159 E N -0.133 120.061 120.200 -0.010 0.000 2.268 159 E HA -0.158 4.192 4.350 0.000 0.000 0.195 159 E C 1.648 178.252 176.600 0.007 0.000 0.995 159 E CA 0.486 56.886 56.400 0.001 0.000 0.836 159 E CB -0.066 29.636 29.700 0.002 0.000 0.763 159 E HN 0.193 nan 8.360 nan 0.000 0.491 160 R N 0.591 121.091 120.500 0.000 0.000 2.153 160 R HA 0.090 4.430 4.340 0.000 0.000 0.218 160 R C 0.679 177.012 176.300 0.055 0.000 1.072 160 R CA 0.345 56.467 56.100 0.037 0.000 0.990 160 R CB -0.754 29.573 30.300 0.045 0.000 0.889 160 R HN 0.211 nan 8.270 nan 0.000 0.452 161 C N 1.692 121.007 119.300 0.024 0.000 2.536 161 C HA 0.503 4.963 4.460 0.000 0.000 0.396 161 C C 0.742 175.771 174.990 0.065 0.000 1.279 161 C CA -0.682 58.371 59.018 0.060 0.000 2.148 161 C CB 0.176 27.963 27.740 0.078 0.000 2.584 161 C HN 0.251 nan 8.230 nan 0.000 0.579 162 I N 2.614 123.239 120.570 0.092 0.000 2.468 162 I HA 0.230 4.400 4.170 0.000 0.000 0.285 162 I C -0.524 175.660 176.117 0.112 0.000 1.039 162 I CA -0.367 60.977 61.300 0.074 0.000 1.074 162 I CB 1.468 39.494 38.000 0.044 0.000 1.228 162 I HN 0.319 nan 8.210 nan 0.000 0.436 163 V N 5.691 125.656 119.914 0.084 0.000 2.470 163 V HA 0.282 4.402 4.120 0.000 0.000 0.276 163 V C 0.821 176.955 176.094 0.067 0.000 1.040 163 V CA -0.345 62.002 62.300 0.080 0.000 1.008 163 V CB 1.131 32.980 31.823 0.043 0.000 0.990 163 V HN 0.813 nan 8.190 nan 0.000 0.477 164 A N 6.664 129.535 122.820 0.086 0.000 2.354 164 A HA 0.571 4.891 4.320 0.000 0.000 0.281 164 A C 0.135 177.729 177.584 0.017 0.000 1.174 164 A CA -0.410 51.673 52.037 0.077 0.000 0.828 164 A CB 0.149 19.243 19.000 0.156 0.000 1.099 164 A HN 0.849 nan 8.150 nan 0.000 0.516 165 K N 1.922 122.324 120.400 0.004 0.000 2.316 165 K HA 0.498 4.818 4.320 0.000 0.000 0.251 165 K C -0.846 175.735 176.600 -0.031 0.000 0.934 165 K CA -0.914 55.360 56.287 -0.022 0.000 0.802 165 K CB 2.330 34.822 32.500 -0.012 0.000 1.171 165 K HN 0.404 nan 8.250 nan 0.000 0.426 166 V N 2.240 122.124 119.914 -0.051 0.000 2.557 166 V HA 0.039 4.160 4.120 0.000 0.000 0.301 166 V C 1.387 177.475 176.094 -0.010 0.000 1.026 166 V CA 1.923 64.194 62.300 -0.048 0.000 1.137 166 V CB 0.159 31.952 31.823 -0.050 0.000 0.917 166 V HN 1.179 nan 8.190 nan 0.000 0.484 167 G N 3.779 112.578 108.800 -0.002 0.000 2.234 167 G HA2 -0.185 3.776 3.960 0.000 0.000 0.235 167 G HA3 -0.185 3.776 3.960 0.000 0.000 0.235 167 G C -0.044 174.866 174.900 0.017 0.000 0.997 167 G CA -0.007 45.110 45.100 0.028 0.000 0.623 167 G HN 0.673 nan 8.290 nan 0.000 0.514 168 D N 0.256 120.658 120.400 0.004 0.000 2.423 168 D HA 0.460 5.100 4.640 0.000 0.000 0.238 168 D C 0.359 176.658 176.300 -0.002 0.000 1.142 168 D CA 0.391 54.395 54.000 0.006 0.000 0.884 168 D CB 1.710 42.517 40.800 0.012 0.000 1.199 168 D HN 0.275 nan 8.370 nan 0.000 0.438 169 V N 2.992 122.905 119.914 -0.002 0.000 2.409 169 V HA 0.287 4.407 4.120 0.000 0.000 0.290 169 V C -0.110 175.975 176.094 -0.015 0.000 1.017 169 V CA -0.706 61.584 62.300 -0.015 0.000 0.841 169 V CB 1.177 32.994 31.823 -0.010 0.000 1.003 169 V HN 0.293 nan 8.190 nan 0.000 0.426 170 L N 4.418 125.626 121.223 -0.025 0.000 2.296 170 L HA 0.624 4.964 4.340 0.000 0.000 0.286 170 L C -0.032 176.811 176.870 -0.045 0.000 1.023 170 L CA -0.599 54.223 54.840 -0.030 0.000 0.812 170 L CB 1.697 43.737 42.059 -0.032 0.000 1.223 170 L HN 0.492 nan 8.230 nan 0.000 0.421 171 E N 4.885 125.064 120.200 -0.037 0.000 2.146 171 E HA 0.457 4.807 4.350 0.000 0.000 0.282 171 E C -0.670 175.904 176.600 -0.044 0.000 0.989 171 E CA -0.387 55.989 56.400 -0.040 0.000 0.799 171 E CB 2.437 32.121 29.700 -0.028 0.000 1.088 171 E HN 0.315 nan 8.360 nan 0.000 0.397 172 I N 2.246 122.782 120.570 -0.056 0.000 2.439 172 I HA 0.249 4.419 4.170 0.000 0.000 0.285 172 I C 1.128 177.215 176.117 -0.049 0.000 1.021 172 I CA -0.159 61.107 61.300 -0.056 0.000 1.091 172 I CB 0.806 38.755 38.000 -0.084 0.000 1.242 172 I HN 0.700 nan 8.210 nan 0.000 0.439 173 G N 7.018 115.797 108.800 -0.036 0.000 2.611 173 G HA2 -0.317 3.643 3.960 0.000 0.000 0.301 173 G HA3 -0.317 3.643 3.960 0.000 0.000 0.301 173 G C 0.389 175.272 174.900 -0.027 0.000 1.233 173 G CA 0.758 45.840 45.100 -0.030 0.000 0.993 173 G HN 0.759 nan 8.290 nan 0.000 0.553 174 D N 0.380 120.767 120.400 -0.022 0.000 2.395 174 D HA 0.361 5.001 4.640 0.000 0.000 0.226 174 D C 0.530 176.809 176.300 -0.034 0.000 1.146 174 D CA 0.185 54.173 54.000 -0.020 0.000 0.830 174 D CB 0.192 40.989 40.800 -0.005 0.000 0.958 174 D HN 0.487 nan 8.370 nan 0.000 0.501 175 V N 0.249 120.132 119.914 -0.051 0.000 2.628 175 V HA 0.322 4.442 4.120 0.000 0.000 0.306 175 V C -0.131 175.915 176.094 -0.081 0.000 1.045 175 V CA -1.091 61.161 62.300 -0.080 0.000 0.905 175 V CB 2.396 34.161 31.823 -0.098 0.000 0.997 175 V HN 0.017 nan 8.190 nan 0.000 0.436 176 K N 4.124 124.469 120.400 -0.091 0.000 2.235 176 K HA 0.651 4.972 4.320 0.000 0.000 0.266 176 K C -1.285 175.252 176.600 -0.106 0.000 0.980 176 K CA -0.536 55.702 56.287 -0.083 0.000 0.849 176 K CB 1.127 33.586 32.500 -0.067 0.000 1.098 176 K HN 0.629 nan 8.250 nan 0.000 0.445 177 I N 5.357 125.869 120.570 -0.096 0.000 2.359 177 I HA 0.311 4.481 4.170 0.000 0.000 0.284 177 I C -0.063 176.018 176.117 -0.060 0.000 1.018 177 I CA -0.721 60.521 61.300 -0.095 0.000 1.173 177 I CB 1.334 39.258 38.000 -0.126 0.000 1.326 177 I HN 0.423 nan 8.210 nan 0.000 0.462 178 R N 5.222 125.667 120.500 -0.092 0.000 2.254 178 R HA 0.505 4.845 4.340 0.000 0.000 0.318 178 R C -0.791 175.464 176.300 -0.076 0.000 1.031 178 R CA -0.726 55.297 56.100 -0.128 0.000 0.905 178 R CB 1.718 31.834 30.300 -0.307 0.000 1.050 178 R HN 0.326 nan 8.270 nan 0.000 0.456 179 V N 5.998 125.882 119.914 -0.050 0.000 2.432 179 V HA 0.335 4.455 4.120 0.000 0.000 0.275 179 V C 0.304 176.298 176.094 -0.168 0.000 1.043 179 V CA -0.257 61.995 62.300 -0.080 0.000 0.925 179 V CB 0.874 32.684 31.823 -0.021 0.000 0.985 179 V HN 0.582 nan 8.190 nan 0.000 0.466 180 L N 2.823 123.882 121.223 -0.273 0.000 2.303 180 L HA 0.591 4.931 4.340 0.000 0.000 0.256 180 L C -0.507 176.232 176.870 -0.219 0.000 1.034 180 L CA -1.141 53.540 54.840 -0.264 0.000 0.832 180 L CB 2.133 43.890 42.059 -0.503 0.000 1.403 180 L HN 0.504 nan 8.230 nan 0.000 0.419 181 D N 0.244 120.623 120.400 -0.035 0.000 2.423 181 D HA 0.214 4.854 4.640 0.000 0.000 0.238 181 D C -0.257 175.706 176.300 -0.562 0.000 1.142 181 D CA 0.427 54.312 54.000 -0.190 0.000 0.884 181 D CB 0.887 41.652 40.800 -0.059 0.000 1.199 181 D HN 0.317 nan 8.370 nan 0.000 0.438 182 S N 0.771 116.049 115.700 -0.704 0.000 2.638 182 S HA 0.534 5.004 4.470 0.000 0.000 0.298 182 S C -0.722 173.249 174.600 -1.048 0.000 1.111 182 S CA -0.826 56.893 58.200 -0.802 0.000 1.027 182 S CB 0.386 63.311 63.200 -0.458 0.000 1.064 182 S HN 0.431 nan 8.310 nan 0.000 0.525 183 F N 0.994 120.862 119.950 -0.136 0.000 2.850 183 F HA 0.312 4.839 4.527 0.000 0.000 0.329 183 F C 0.380 176.071 175.800 -0.181 0.000 1.182 183 F CA -0.804 57.078 58.000 -0.196 0.000 1.270 183 F CB 0.532 39.351 39.000 -0.300 0.000 0.979 183 F HN 0.429 nan 8.300 nan 0.000 0.506 184 D N 1.726 122.031 120.400 -0.158 0.000 2.470 184 D HA 0.095 4.735 4.640 0.000 0.000 0.226 184 D C 1.426 177.534 176.300 -0.321 0.000 1.196 184 D CA 0.160 54.038 54.000 -0.204 0.000 0.979 184 D CB 0.435 41.047 40.800 -0.313 0.000 1.059 184 D HN 0.298 nan 8.370 nan 0.000 0.515 185 R N 1.013 121.147 120.500 -0.610 0.000 2.120 185 R HA -0.094 4.247 4.340 0.000 0.000 0.234 185 R C 1.747 177.865 176.300 -0.303 0.000 1.123 185 R CA 1.314 57.122 56.100 -0.486 0.000 0.975 185 R CB -0.042 29.928 30.300 -0.549 0.000 0.866 185 R HN 0.342 nan 8.270 nan 0.000 0.446 186 T N 0.923 115.334 114.554 -0.239 0.000 2.746 186 T HA -0.134 4.216 4.350 0.000 0.000 0.267 186 T C 1.996 176.744 174.700 0.080 0.000 1.039 186 T CA 1.362 63.485 62.100 0.038 0.000 1.142 186 T CB -0.239 68.748 68.868 0.199 0.000 0.866 186 T HN 0.379 nan 8.240 nan 0.000 0.444 187 A N 1.534 124.372 122.820 0.031 0.000 1.917 187 A HA -0.069 4.252 4.320 0.000 0.000 0.219 187 A C 2.301 179.808 177.584 -0.128 0.000 1.182 187 A CA 1.333 53.277 52.037 -0.156 0.000 0.633 187 A CB -1.017 17.783 19.000 -0.333 0.000 0.819 187 A HN 0.493 nan 8.150 nan 0.000 0.448 188 L N -0.323 120.823 121.223 -0.127 0.000 2.081 188 L HA -0.187 4.153 4.340 0.000 0.000 0.212 188 L C 2.141 178.961 176.870 -0.084 0.000 1.080 188 L CA 1.734 56.507 54.840 -0.110 0.000 0.754 188 L CB -0.424 41.569 42.059 -0.110 0.000 0.893 188 L HN 0.511 nan 8.230 nan 0.000 0.433 189 V N -6.043 113.831 119.914 -0.067 0.000 3.376 189 V HA 0.132 4.252 4.120 0.000 0.000 0.313 189 V C 0.767 176.827 176.094 -0.056 0.000 1.393 189 V CA -0.177 62.085 62.300 -0.063 0.000 1.125 189 V CB -0.085 31.700 31.823 -0.063 0.000 1.037 189 V HN 0.130 nan 8.190 nan 0.000 0.440 190 T N 4.366 118.899 114.554 -0.036 0.000 3.414 190 T HA 0.594 4.944 4.350 0.000 0.000 0.304 190 T C -0.256 174.408 174.700 -0.061 0.000 1.241 190 T CA 0.279 62.363 62.100 -0.027 0.000 1.076 190 T CB -0.429 68.500 68.868 0.101 0.000 1.134 190 T HN 0.360 nan 8.240 nan 0.000 0.759 191 L N 3.407 124.589 121.223 -0.068 0.000 2.333 191 L HA 0.557 4.897 4.340 0.000 0.000 0.269 191 L C -2.238 174.601 176.870 -0.052 0.000 1.010 191 L CA -2.919 51.883 54.840 -0.062 0.000 0.818 191 L CB 1.323 43.346 42.059 -0.061 0.000 1.306 191 L HN 0.173 nan 8.230 nan 0.000 0.430 192 P HA 0.039 nan 4.420 nan 0.000 0.268 192 P C -0.839 176.449 177.300 -0.021 0.000 1.208 192 P CA -0.268 62.815 63.100 -0.029 0.000 0.777 192 P CB 0.362 32.045 31.700 -0.028 0.000 0.875 193 K N 1.272 121.666 120.400 -0.009 0.000 2.527 193 K HA 0.140 4.460 4.320 0.000 0.000 0.278 193 K C 1.368 177.967 176.600 -0.002 0.000 0.981 193 K CA 1.260 57.545 56.287 -0.002 0.000 1.009 193 K CB -0.467 32.038 32.500 0.008 0.000 0.895 193 K HN 0.857 nan 8.250 nan 0.000 0.493 194 G N 0.795 109.596 108.800 0.002 0.000 2.205 194 G HA2 -0.254 3.706 3.960 0.000 0.000 0.261 194 G HA3 -0.254 3.706 3.960 0.000 0.000 0.261 194 G C 0.030 174.933 174.900 0.005 0.000 0.980 194 G CA 0.105 45.209 45.100 0.007 0.000 0.632 194 G HN 0.422 nan 8.290 nan 0.000 0.533 195 V N 1.494 121.404 119.914 -0.007 0.000 2.383 195 V HA 0.649 4.769 4.120 0.000 0.000 0.275 195 V C 0.907 176.992 176.094 -0.014 0.000 1.036 195 V CA 0.149 62.443 62.300 -0.010 0.000 0.889 195 V CB 1.578 33.387 31.823 -0.023 0.000 0.985 195 V HN 0.531 nan 8.190 nan 0.000 0.459 196 S N 3.374 119.078 115.700 0.008 0.000 2.528 196 S HA 0.146 4.616 4.470 0.000 0.000 0.277 196 S C 1.127 175.707 174.600 -0.033 0.000 1.297 196 S CA 0.010 58.219 58.200 0.016 0.000 1.052 196 S CB 0.875 64.142 63.200 0.112 0.000 0.917 196 S HN 1.001 nan 8.310 nan 0.000 0.492 197 S N 4.121 119.742 115.700 -0.133 0.000 2.572 197 S HA 0.188 4.658 4.470 0.000 0.000 0.228 197 S C 0.757 175.274 174.600 -0.138 0.000 0.963 197 S CA -0.347 57.768 58.200 -0.141 0.000 0.939 197 S CB -0.441 62.662 63.200 -0.162 0.000 0.804 197 S HN 0.823 nan 8.310 nan 0.000 0.480 198 Y N 1.919 122.213 120.300 -0.010 0.000 2.420 198 Y HA 0.149 4.700 4.550 0.000 0.000 0.292 198 Y C 0.448 176.341 175.900 -0.011 0.000 1.119 198 Y CA -0.178 57.917 58.100 -0.008 0.000 1.229 198 Y CB -0.080 38.376 38.460 -0.006 0.000 1.026 198 Y HN 0.255 nan 8.280 nan 0.000 0.554 199 D N 1.109 121.590 120.400 0.135 0.000 2.417 199 D HA 0.008 4.648 4.640 0.000 0.000 0.250 199 D C 0.611 176.933 176.300 0.035 0.000 1.166 199 D CA 0.225 54.268 54.000 0.071 0.000 0.881 199 D CB 1.240 42.068 40.800 0.046 0.000 1.164 199 D HN 0.255 nan 8.370 nan 0.000 0.467 200 K N 1.508 121.924 120.400 0.027 0.000 2.362 200 K HA -0.069 4.251 4.320 0.000 0.000 0.200 200 K C 1.667 178.264 176.600 -0.005 0.000 1.046 200 K CA 0.535 56.828 56.287 0.009 0.000 0.952 200 K CB 0.164 32.669 32.500 0.008 0.000 0.753 200 K HN 0.369 nan 8.250 nan 0.000 0.466 201 A N 1.909 124.726 122.820 -0.005 0.000 2.067 201 A HA -0.102 4.218 4.320 0.000 0.000 0.219 201 A C 2.052 179.620 177.584 -0.026 0.000 1.158 201 A CA 0.869 52.897 52.037 -0.015 0.000 0.661 201 A CB -0.768 18.225 19.000 -0.013 0.000 0.801 201 A HN 0.496 nan 8.150 nan 0.000 0.452 202 I N -2.975 117.579 120.570 -0.026 0.000 2.567 202 I HA -0.151 4.019 4.170 0.000 0.000 0.257 202 I C 1.632 177.718 176.117 -0.051 0.000 1.184 202 I CA 1.175 62.450 61.300 -0.041 0.000 1.451 202 I CB -0.335 37.639 38.000 -0.043 0.000 1.089 202 I HN 0.184 nan 8.210 nan 0.000 0.441 203 L N 1.037 122.234 121.223 -0.044 0.000 2.362 203 L HA -0.072 4.268 4.340 0.000 0.000 0.219 203 L C 1.415 178.249 176.870 -0.060 0.000 1.134 203 L CA 0.733 55.542 54.840 -0.052 0.000 0.807 203 L CB -0.647 41.388 42.059 -0.040 0.000 0.927 203 L HN 0.278 nan 8.230 nan 0.000 0.447 204 D N -0.063 120.303 120.400 -0.056 0.000 2.340 204 D HA 0.008 4.649 4.640 0.000 0.000 0.220 204 D C 1.918 178.175 176.300 -0.072 0.000 1.039 204 D CA 0.550 54.514 54.000 -0.061 0.000 0.866 204 D CB 0.367 41.138 40.800 -0.048 0.000 0.913 204 D HN 0.272 nan 8.370 nan 0.000 0.523 205 G N 0.683 109.436 108.800 -0.077 0.000 3.026 205 G HA2 -0.125 3.836 3.960 0.000 0.000 0.208 205 G HA3 -0.125 3.836 3.960 0.000 0.000 0.208 205 G C 1.439 176.273 174.900 -0.111 0.000 1.169 205 G CA -0.049 44.998 45.100 -0.088 0.000 0.788 205 G HN 0.085 nan 8.290 nan 0.000 0.533 206 M N 1.020 120.546 119.600 -0.123 0.000 2.065 206 M HA -0.047 4.433 4.480 0.000 0.000 0.259 206 M C 1.757 177.961 176.300 -0.161 0.000 1.069 206 M CA 1.641 56.848 55.300 -0.156 0.000 1.110 206 M CB -0.164 32.331 32.600 -0.176 0.000 1.328 206 M HN 0.048 nan 8.290 nan 0.000 0.405 207 D N -0.440 119.875 120.400 -0.141 0.000 2.218 207 D HA -0.173 4.467 4.640 0.000 0.000 0.204 207 D C 1.897 178.127 176.300 -0.116 0.000 0.976 207 D CA 1.268 55.188 54.000 -0.132 0.000 0.853 207 D CB -0.317 40.419 40.800 -0.106 0.000 0.939 207 D HN 0.541 nan 8.370 nan 0.000 0.481 208 E N 0.650 120.786 120.200 -0.108 0.000 2.150 208 E HA -0.120 4.230 4.350 0.000 0.000 0.193 208 E C 1.652 178.182 176.600 -0.116 0.000 0.985 208 E CA 0.926 57.267 56.400 -0.098 0.000 0.814 208 E CB 0.165 29.811 29.700 -0.090 0.000 0.752 208 E HN 0.384 nan 8.360 nan 0.000 0.466 209 R N -1.252 119.165 120.500 -0.139 0.000 2.509 209 R HA 0.552 4.892 4.340 0.000 0.000 0.297 209 R C -0.424 175.778 176.300 -0.163 0.000 0.951 209 R CA 0.319 56.324 56.100 -0.159 0.000 1.103 209 R CB 0.935 31.130 30.300 -0.174 0.000 1.283 209 R HN 0.043 nan 8.270 nan 0.000 0.534 210 A N 1.088 123.802 122.820 -0.176 0.000 2.513 210 A HA 0.575 4.896 4.320 0.000 0.000 0.296 210 A C -0.856 176.574 177.584 -0.256 0.000 1.052 210 A CA -0.474 51.445 52.037 -0.196 0.000 0.714 210 A CB 1.882 20.726 19.000 -0.259 0.000 1.279 210 A HN 0.237 nan 8.150 nan 0.000 0.397 211 V N -0.415 119.315 119.914 -0.307 0.000 3.130 211 V HA 0.703 4.823 4.120 0.000 0.000 0.310 211 V C -0.570 175.194 176.094 -0.549 0.000 1.158 211 V CA -1.173 60.869 62.300 -0.430 0.000 1.029 211 V CB 1.835 33.368 31.823 -0.484 0.000 1.057 211 V HN 0.877 nan 8.190 nan 0.000 0.436 212 N N 0.001 118.360 118.700 -0.569 0.000 2.430 212 N HA 0.676 5.416 4.740 0.000 0.000 0.298 212 N C -1.928 173.152 175.510 -0.717 0.000 1.130 212 N CA -0.586 52.130 53.050 -0.558 0.000 0.894 212 N CB 2.080 40.292 38.487 -0.459 0.000 1.209 212 N HN 0.743 nan 8.380 nan 0.000 0.503 213 Y N 0.815 120.915 120.300 -0.332 0.000 2.409 213 Y HA 0.439 4.990 4.550 0.000 0.000 0.343 213 Y C -0.671 175.028 175.900 -0.336 0.000 0.973 213 Y CA -1.051 56.883 58.100 -0.278 0.000 1.064 213 Y CB 1.582 39.938 38.460 -0.173 0.000 1.207 213 Y HN 0.264 nan 8.280 nan 0.000 0.452 214 L N 5.339 126.493 121.223 -0.115 0.000 2.319 214 L HA 0.599 4.939 4.340 0.000 0.000 0.281 214 L C -1.298 175.506 176.870 -0.110 0.000 1.005 214 L CA -0.607 54.169 54.840 -0.106 0.000 0.828 214 L CB 0.537 42.505 42.059 -0.151 0.000 1.227 214 L HN 0.521 nan 8.230 nan 0.000 0.415 215 I N 4.729 125.233 120.570 -0.110 0.000 2.330 215 I HA 0.346 4.516 4.170 0.000 0.000 0.289 215 I C -0.203 175.777 176.117 -0.228 0.000 1.001 215 I CA -0.439 60.763 61.300 -0.163 0.000 1.193 215 I CB 1.260 39.161 38.000 -0.165 0.000 1.345 215 I HN 0.573 nan 8.210 nan 0.000 0.461 216 E N 5.110 125.191 120.200 -0.198 0.000 2.151 216 E HA 0.411 4.761 4.350 0.000 0.000 0.275 216 E C -0.355 176.125 176.600 -0.201 0.000 0.936 216 E CA -0.513 55.771 56.400 -0.194 0.000 0.777 216 E CB 1.989 31.618 29.700 -0.118 0.000 1.108 216 E HN 0.661 nan 8.360 nan 0.000 0.401 217 T N -1.509 112.891 114.554 -0.257 0.000 2.910 217 T HA 0.206 4.556 4.350 0.000 0.000 0.287 217 T C 1.110 175.768 174.700 -0.071 0.000 1.050 217 T CA -0.504 61.483 62.100 -0.188 0.000 1.011 217 T CB 1.407 70.097 68.868 -0.296 0.000 1.195 217 T HN 0.301 nan 8.240 nan 0.000 0.540 218 S N -0.787 114.912 115.700 -0.001 0.000 2.507 218 S HA 0.126 4.596 4.470 0.000 0.000 0.235 218 S C 1.823 176.481 174.600 0.097 0.000 0.988 218 S CA 0.614 58.838 58.200 0.041 0.000 0.944 218 S CB -0.780 62.446 63.200 0.043 0.000 0.762 218 S HN 1.110 nan 8.310 nan 0.000 0.526 219 G N 0.007 108.913 108.800 0.176 0.000 3.020 219 G HA2 0.567 4.528 3.960 0.000 0.000 0.217 219 G HA3 0.567 4.528 3.960 0.000 0.000 0.217 219 G C 0.607 175.789 174.900 0.469 0.000 1.144 219 G CA 0.042 45.347 45.100 0.342 0.000 0.760 219 G HN 1.089 nan 8.290 nan 0.000 0.548 220 G N -0.600 108.339 108.800 0.230 0.000 2.331 220 G HA2 0.412 4.372 3.960 0.000 0.000 0.402 220 G HA3 0.412 4.372 3.960 0.000 0.000 0.402 220 G C -0.492 174.297 174.900 -0.184 0.000 1.275 220 G CA -0.037 45.165 45.100 0.170 0.000 1.003 220 G HN 1.197 nan 8.290 nan 0.000 0.500 221 S N -1.916 113.682 115.700 -0.171 0.000 2.566 221 S HA 0.837 5.307 4.470 0.000 0.000 0.298 221 S C -0.769 173.706 174.600 -0.209 0.000 1.083 221 S CA -0.161 57.880 58.200 -0.264 0.000 0.978 221 S CB 2.080 65.202 63.200 -0.129 0.000 1.073 221 S HN 2.187 nan 8.310 nan 0.000 0.491 222 V N 2.719 122.518 119.914 -0.191 0.000 2.588 222 V HA 0.602 4.722 4.120 0.000 0.000 0.304 222 V C -1.987 174.128 176.094 0.036 0.000 1.042 222 V CA -0.848 61.427 62.300 -0.042 0.000 0.877 222 V CB 1.642 33.500 31.823 0.059 0.000 0.996 222 V HN 0.984 nan 8.190 nan 0.000 0.425 223 Y N 6.761 127.016 120.300 -0.075 0.000 2.342 223 Y HA 0.517 5.067 4.550 0.000 0.000 0.338 223 Y C -0.233 175.689 175.900 0.037 0.000 0.965 223 Y CA -0.399 57.692 58.100 -0.014 0.000 1.159 223 Y CB 0.680 39.114 38.460 -0.045 0.000 1.157 223 Y HN 0.820 nan 8.280 nan 0.000 0.486 224 H N 4.866 123.861 119.070 -0.126 0.000 2.597 224 H HA 0.203 4.759 4.556 0.000 0.000 0.303 224 H C 0.204 175.512 175.328 -0.033 0.000 1.057 224 H CA 0.179 56.265 56.048 0.063 0.000 1.261 224 H CB 1.477 31.371 29.762 0.220 0.000 1.397 224 H HN 0.800 nan 8.280 nan 0.000 0.461 225 S N 2.802 118.641 115.700 0.232 0.000 2.605 225 S HA 0.190 4.660 4.470 0.000 0.000 0.217 225 S C 1.325 176.126 174.600 0.335 0.000 0.958 225 S CA 0.181 58.552 58.200 0.285 0.000 0.919 225 S CB -0.090 63.399 63.200 0.481 0.000 0.780 225 S HN 0.976 nan 8.310 nan 0.000 0.507 226 G N 3.008 112.138 108.800 0.551 0.000 2.611 226 G HA2 -0.354 3.606 3.960 0.000 0.000 0.301 226 G HA3 -0.354 3.606 3.960 0.000 0.000 0.301 226 G C -0.270 174.838 174.900 0.347 0.000 1.233 226 G CA 0.554 45.937 45.100 0.472 0.000 0.993 226 G HN 0.869 nan 8.290 nan 0.000 0.553 227 D N -0.164 120.285 120.400 0.082 0.000 3.068 227 D HA 0.499 5.139 4.640 0.000 0.000 0.327 227 D C 0.439 176.827 176.300 0.147 0.000 1.361 227 D CA 0.164 54.258 54.000 0.157 0.000 0.877 227 D CB 0.159 41.070 40.800 0.184 0.000 1.088 227 D HN 0.408 nan 8.370 nan 0.000 0.489 228 S N 0.401 116.220 115.700 0.198 0.000 2.558 228 S HA 0.017 4.487 4.470 0.000 0.000 0.288 228 S C 0.546 175.409 174.600 0.439 0.000 1.318 228 S CA -0.114 58.261 58.200 0.291 0.000 1.056 228 S CB 0.351 63.799 63.200 0.414 0.000 0.853 228 S HN 0.397 nan 8.310 nan 0.000 0.505 229 H N 0.239 119.422 119.070 0.188 0.000 2.309 229 H HA 0.115 4.672 4.556 0.000 0.000 0.341 229 H C -0.353 175.119 175.328 0.241 0.000 1.677 229 H CA -0.404 55.766 56.048 0.202 0.000 1.440 229 H CB 0.279 30.122 29.762 0.135 0.000 1.693 229 H HN 0.596 nan 8.280 nan 0.000 0.608 230 Y N 0.645 121.113 120.300 0.280 0.000 2.335 230 Y HA 0.135 4.685 4.550 0.000 0.000 0.331 230 Y C -0.149 175.705 175.900 -0.076 0.000 1.094 230 Y CA 0.041 58.261 58.100 0.201 0.000 1.253 230 Y CB 0.792 39.350 38.460 0.164 0.000 1.203 230 Y HN 0.291 nan 8.280 nan 0.000 0.508 231 S N 4.639 119.493 115.700 -1.409 0.000 2.547 231 S HA 0.299 4.769 4.470 0.000 0.000 0.281 231 S C 0.286 174.155 174.600 -1.219 0.000 1.118 231 S CA -0.941 56.506 58.200 -1.254 0.000 0.947 231 S CB 0.814 62.949 63.200 -1.775 0.000 1.053 231 S HN 0.867 nan 8.310 nan 0.000 0.482 232 N N 2.087 120.488 118.700 -0.498 0.000 2.192 232 N HA -0.139 4.601 4.740 0.000 0.000 0.188 232 N C 1.039 176.350 175.510 -0.332 0.000 1.013 232 N CA 1.366 54.286 53.050 -0.216 0.000 0.863 232 N CB -0.498 37.953 38.487 -0.060 0.000 0.990 232 N HN 0.748 nan 8.380 nan 0.000 0.430 233 Y N 0.500 120.384 120.300 -0.694 0.000 2.483 233 Y HA -0.141 4.409 4.550 0.000 0.000 0.291 233 Y C 1.631 177.176 175.900 -0.592 0.000 1.143 233 Y CA 0.851 58.592 58.100 -0.599 0.000 1.289 233 Y CB -0.399 37.722 38.460 -0.565 0.000 0.983 233 Y HN 0.151 nan 8.280 nan 0.000 0.556 234 Y N -1.416 118.528 120.300 -0.593 0.000 2.241 234 Y HA -0.362 4.188 4.550 0.000 0.000 0.286 234 Y C 2.514 178.236 175.900 -0.297 0.000 1.166 234 Y CA 0.556 58.432 58.100 -0.372 0.000 1.203 234 Y CB -0.331 37.903 38.460 -0.376 0.000 0.977 234 Y HN 0.215 nan 8.280 nan 0.000 0.529 235 A N -0.087 122.653 122.820 -0.134 0.000 2.015 235 A HA -0.205 4.115 4.320 0.000 0.000 0.219 235 A C 2.038 179.512 177.584 -0.183 0.000 1.163 235 A CA 1.702 53.669 52.037 -0.117 0.000 0.646 235 A CB -0.421 18.528 19.000 -0.085 0.000 0.806 235 A HN 0.282 nan 8.150 nan 0.000 0.448 236 K N 0.147 120.319 120.400 -0.379 0.000 2.025 236 K HA -0.128 4.192 4.320 0.000 0.000 0.207 236 K C 1.686 178.212 176.600 -0.122 0.000 1.049 236 K CA 2.037 58.062 56.287 -0.437 0.000 0.933 236 K CB -0.789 31.058 32.500 -1.087 0.000 0.714 236 K HN 0.724 nan 8.250 nan 0.000 0.438 237 H N -1.566 117.478 119.070 -0.044 0.000 2.387 237 H HA -0.064 4.492 4.556 0.000 0.000 0.299 237 H C 1.846 177.238 175.328 0.107 0.000 1.099 237 H CA 0.722 56.881 56.048 0.185 0.000 1.315 237 H CB -0.017 29.953 29.762 0.347 0.000 1.380 237 H HN 0.462 nan 8.280 nan 0.000 0.513 238 G N 0.680 109.539 108.800 0.099 0.000 2.408 238 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 238 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 238 G C 1.534 176.431 174.900 -0.006 0.000 1.150 238 G CA 0.651 45.761 45.100 0.018 0.000 0.776 238 G HN 0.316 nan 8.290 nan 0.000 0.542 239 N N 1.177 119.849 118.700 -0.045 0.000 2.142 239 N HA -0.055 4.685 4.740 0.000 0.000 0.186 239 N C 1.565 176.997 175.510 -0.130 0.000 1.023 239 N CA 1.175 54.179 53.050 -0.077 0.000 0.852 239 N CB -0.204 38.224 38.487 -0.097 0.000 0.998 239 N HN 0.179 nan 8.380 nan 0.000 0.424 240 D N -1.065 119.209 120.400 -0.210 0.000 2.234 240 D HA 0.015 4.655 4.640 0.000 0.000 0.205 240 D C -0.165 175.690 176.300 -0.742 0.000 0.962 240 D CA 0.843 54.525 54.000 -0.531 0.000 0.855 240 D CB 0.207 40.532 40.800 -0.791 0.000 0.951 240 D HN 0.303 nan 8.370 nan 0.000 0.500 241 Y N -0.293 120.025 120.300 0.030 0.000 2.553 241 Y HA 0.346 4.896 4.550 0.000 0.000 0.347 241 Y C -0.051 175.856 175.900 0.011 0.000 1.019 241 Y CA -1.145 56.969 58.100 0.024 0.000 1.032 241 Y CB 1.354 39.837 38.460 0.038 0.000 1.284 241 Y HN -0.412 nan 8.280 nan 0.000 0.466 242 Q N 2.883 122.788 119.800 0.175 0.000 2.361 242 Q HA 0.415 4.755 4.340 0.000 0.000 0.250 242 Q C -0.991 175.052 176.000 0.071 0.000 1.023 242 Q CA -0.025 55.833 55.803 0.093 0.000 0.915 242 Q CB 0.713 29.494 28.738 0.073 0.000 1.238 242 Q HN 0.467 nan 8.270 nan 0.000 0.451 243 I N 2.788 123.379 120.570 0.035 0.000 2.312 243 I HA 0.087 4.257 4.170 0.000 0.000 0.290 243 I C 0.438 176.513 176.117 -0.069 0.000 1.008 243 I CA -0.378 60.913 61.300 -0.015 0.000 1.226 243 I CB 1.171 39.139 38.000 -0.054 0.000 1.371 243 I HN 0.578 nan 8.210 nan 0.000 0.468 244 D N 4.661 124.990 120.400 -0.119 0.000 2.144 244 D HA 0.047 4.687 4.640 0.000 0.000 0.207 244 D C 0.473 176.583 176.300 -0.317 0.000 0.970 244 D CA 1.413 55.282 54.000 -0.219 0.000 0.853 244 D CB 0.531 41.087 40.800 -0.408 0.000 1.007 244 D HN 0.180 nan 8.370 nan 0.000 0.469 245 V N 0.861 120.579 119.914 -0.327 0.000 2.495 245 V HA 0.631 4.751 4.120 0.000 0.000 0.298 245 V C -0.333 175.618 176.094 -0.239 0.000 1.031 245 V CA -0.959 61.147 62.300 -0.325 0.000 0.871 245 V CB 1.667 33.291 31.823 -0.331 0.000 0.988 245 V HN 0.138 nan 8.190 nan 0.000 0.432 246 A N 5.952 128.590 122.820 -0.304 0.000 2.318 246 A HA 0.855 5.175 4.320 0.000 0.000 0.317 246 A C -0.834 176.521 177.584 -0.382 0.000 1.159 246 A CA -0.508 51.369 52.037 -0.266 0.000 0.799 246 A CB 0.674 19.458 19.000 -0.360 0.000 1.194 246 A HN 0.815 nan 8.150 nan 0.000 0.479 247 L N 3.600 124.583 121.223 -0.400 0.000 2.265 247 L HA 0.535 4.875 4.340 0.000 0.000 0.289 247 L C -0.837 175.686 176.870 -0.579 0.000 1.033 247 L CA -0.143 54.176 54.840 -0.868 0.000 0.814 247 L CB 0.832 42.101 42.059 -1.316 0.000 1.203 247 L HN 0.571 nan 8.230 nan 0.000 0.423 248 L N 2.191 123.181 121.223 -0.390 0.000 2.408 248 L HA 0.458 4.798 4.340 0.000 0.000 0.268 248 L C -0.086 177.012 176.870 0.381 0.000 0.986 248 L CA -0.471 54.410 54.840 0.069 0.000 0.820 248 L CB 2.306 44.327 42.059 -0.064 0.000 1.303 248 L HN 0.479 nan 8.230 nan 0.000 0.411 249 S N 1.437 117.443 115.700 0.510 0.000 2.528 249 S HA 0.437 4.907 4.470 0.000 0.000 0.277 249 S C -1.011 173.816 174.600 0.378 0.000 1.297 249 S CA -0.101 58.389 58.200 0.483 0.000 1.052 249 S CB 0.505 63.899 63.200 0.323 0.000 0.917 249 S HN 0.392 nan 8.310 nan 0.000 0.492 250 Y N 1.175 121.615 120.300 0.234 0.000 2.553 250 Y HA 0.724 5.274 4.550 0.000 0.000 0.347 250 Y C -0.034 176.000 175.900 0.224 0.000 1.019 250 Y CA -0.350 57.852 58.100 0.170 0.000 1.032 250 Y CB 1.687 40.203 38.460 0.093 0.000 1.284 250 Y HN 0.808 nan 8.280 nan 0.000 0.466 251 G N 2.737 111.278 108.800 -0.433 0.000 2.356 251 G HA2 0.352 4.312 3.960 0.000 0.000 0.294 251 G HA3 0.352 4.312 3.960 0.000 0.000 0.294 251 G C -2.103 172.678 174.900 -0.198 0.000 1.423 251 G CA -1.067 43.919 45.100 -0.189 0.000 0.806 251 G HN 0.564 nan 8.290 nan 0.000 0.527 252 E N 0.836 121.051 120.200 0.026 0.000 2.089 252 E HA 0.316 4.666 4.350 0.000 0.000 0.284 252 E C 0.064 176.614 176.600 -0.083 0.000 1.023 252 E CA -0.572 55.801 56.400 -0.044 0.000 0.819 252 E CB 0.219 29.896 29.700 -0.038 0.000 1.076 252 E HN 0.350 nan 8.360 nan 0.000 0.396 253 N N 5.626 124.294 118.700 -0.053 0.000 2.497 253 N HA 0.148 4.889 4.740 0.000 0.000 0.268 253 N C -2.238 173.126 175.510 -0.244 0.000 1.171 253 N CA -0.982 51.996 53.050 -0.120 0.000 0.948 253 N CB 0.655 39.150 38.487 0.014 0.000 1.069 253 N HN 0.392 nan 8.380 nan 0.000 0.460 254 P HA 0.051 nan 4.420 nan 0.000 0.270 254 P C 0.124 177.347 177.300 -0.129 0.000 1.223 254 P CA -0.267 62.676 63.100 -0.261 0.000 0.785 254 P CB 0.718 32.242 31.700 -0.293 0.000 0.923 255 R N 1.480 121.926 120.500 -0.090 0.000 2.502 255 R HA 0.206 4.546 4.340 0.000 0.000 0.292 255 R C 0.995 177.274 176.300 -0.036 0.000 0.998 255 R CA 1.212 57.283 56.100 -0.048 0.000 1.056 255 R CB -1.007 29.271 30.300 -0.037 0.000 0.939 255 R HN 0.820 nan 8.270 nan 0.000 0.411 256 G N 2.271 111.062 108.800 -0.015 0.000 2.155 256 G HA2 -0.250 3.711 3.960 0.000 0.000 0.257 256 G HA3 -0.250 3.711 3.960 0.000 0.000 0.257 256 G C -0.316 174.590 174.900 0.010 0.000 0.983 256 G CA 0.205 45.305 45.100 0.000 0.000 0.676 256 G HN 0.521 nan 8.290 nan 0.000 0.528 257 V N 0.007 119.925 119.914 0.006 0.000 2.680 257 V HA 0.810 4.931 4.120 0.000 0.000 0.309 257 V C 0.057 176.187 176.094 0.060 0.000 1.052 257 V CA -0.194 62.128 62.300 0.037 0.000 0.908 257 V CB 2.303 34.139 31.823 0.022 0.000 1.001 257 V HN 0.254 nan 8.190 nan 0.000 0.431 258 T N 2.560 117.171 114.554 0.095 0.000 2.930 258 T HA 0.334 4.684 4.350 0.000 0.000 0.313 258 T C -0.084 174.663 174.700 0.079 0.000 1.019 258 T CA -0.183 61.967 62.100 0.083 0.000 1.004 258 T CB 1.110 70.038 68.868 0.100 0.000 0.987 258 T HN 0.884 nan 8.240 nan 0.000 0.456 259 D N 1.725 122.143 120.400 0.030 0.000 2.486 259 D HA 0.174 4.814 4.640 0.000 0.000 0.243 259 D C -0.020 176.143 176.300 -0.229 0.000 1.146 259 D CA 0.174 54.150 54.000 -0.040 0.000 0.821 259 D CB 0.483 41.333 40.800 0.084 0.000 1.201 259 D HN 0.131 nan 8.370 nan 0.000 0.525 260 K N 0.844 121.143 120.400 -0.167 0.000 2.502 260 K HA 0.340 4.660 4.320 0.000 0.000 0.257 260 K C -0.273 176.297 176.600 -0.050 0.000 0.938 260 K CA -0.702 55.509 56.287 -0.127 0.000 0.819 260 K CB 1.966 34.433 32.500 -0.056 0.000 1.333 260 K HN 0.148 nan 8.250 nan 0.000 0.434 261 M N 0.010 119.641 119.600 0.052 0.000 2.226 261 M HA 0.240 4.720 4.480 0.000 0.000 0.324 261 M C 0.612 177.037 176.300 0.208 0.000 1.112 261 M CA 0.051 55.439 55.300 0.146 0.000 1.176 261 M CB 0.305 33.059 32.600 0.256 0.000 1.430 261 M HN 0.607 nan 8.290 nan 0.000 0.462 262 T N -0.156 114.514 114.554 0.193 0.000 2.788 262 T HA 0.277 4.627 4.350 0.000 0.000 0.280 262 T C 0.973 175.880 174.700 0.345 0.000 0.984 262 T CA -0.339 61.902 62.100 0.234 0.000 0.972 262 T CB 0.761 69.715 68.868 0.143 0.000 1.039 262 T HN 0.762 nan 8.240 nan 0.000 0.530 263 S N 0.762 116.708 115.700 0.409 0.000 2.382 263 S HA -0.115 4.355 4.470 0.000 0.000 0.228 263 S C 2.379 177.055 174.600 0.127 0.000 1.027 263 S CA 1.278 59.620 58.200 0.237 0.000 0.991 263 S CB -0.788 62.546 63.200 0.223 0.000 0.823 263 S HN 0.741 nan 8.310 nan 0.000 0.469 264 S N 1.752 117.525 115.700 0.123 0.000 2.382 264 S HA -0.112 4.358 4.470 0.000 0.000 0.228 264 S C 1.463 176.079 174.600 0.026 0.000 1.027 264 S CA 1.255 59.505 58.200 0.083 0.000 0.991 264 S CB -0.412 62.820 63.200 0.054 0.000 0.823 264 S HN 0.446 nan 8.310 nan 0.000 0.469 265 D N 0.774 121.186 120.400 0.019 0.000 2.234 265 D HA 0.032 4.672 4.640 0.000 0.000 0.205 265 D C 1.949 178.281 176.300 0.052 0.000 0.962 265 D CA 0.351 54.324 54.000 -0.045 0.000 0.855 265 D CB -0.283 40.526 40.800 0.016 0.000 0.951 265 D HN 0.167 nan 8.370 nan 0.000 0.500 266 V N 1.112 121.055 119.914 0.047 0.000 2.332 266 V HA -0.231 3.889 4.120 0.000 0.000 0.248 266 V C 2.584 178.586 176.094 -0.153 0.000 1.055 266 V CA 1.232 63.501 62.300 -0.052 0.000 1.038 266 V CB -0.395 31.353 31.823 -0.125 0.000 0.651 266 V HN 0.217 nan 8.190 nan 0.000 0.450 267 L N -0.778 120.401 121.223 -0.072 0.000 2.027 267 L HA -0.155 4.185 4.340 0.000 0.000 0.206 267 L C 2.761 179.544 176.870 -0.144 0.000 1.074 267 L CA 1.635 56.429 54.840 -0.076 0.000 0.745 267 L CB -0.643 41.532 42.059 0.194 0.000 0.898 267 L HN 0.207 nan 8.230 nan 0.000 0.433 268 R N 0.066 120.544 120.500 -0.037 0.000 2.105 268 R HA -0.155 4.185 4.340 0.000 0.000 0.239 268 R C 2.426 178.784 176.300 0.096 0.000 1.135 268 R CA 1.392 57.489 56.100 -0.004 0.000 0.967 268 R CB -0.506 29.650 30.300 -0.241 0.000 0.861 268 R HN 0.372 nan 8.270 nan 0.000 0.442 269 A N 1.138 124.035 122.820 0.127 0.000 1.898 269 A HA -0.063 4.257 4.320 0.000 0.000 0.216 269 A C 2.371 179.703 177.584 -0.419 0.000 1.181 269 A CA 1.501 53.501 52.037 -0.061 0.000 0.620 269 A CB -0.598 18.231 19.000 -0.285 0.000 0.819 269 A HN 0.387 nan 8.150 nan 0.000 0.442 270 A N -0.207 122.253 122.820 -0.600 0.000 1.908 270 A HA -0.213 4.108 4.320 0.000 0.000 0.218 270 A C 2.040 179.111 177.584 -0.855 0.000 1.181 270 A CA 1.909 53.342 52.037 -1.008 0.000 0.627 270 A CB -0.549 17.354 19.000 -1.828 0.000 0.818 270 A HN 0.687 nan 8.150 nan 0.000 0.445 271 E N -0.345 119.520 120.200 -0.557 0.000 2.072 271 E HA -0.131 4.219 4.350 0.000 0.000 0.191 271 E C 2.138 178.712 176.600 -0.043 0.000 0.985 271 E CA 1.291 57.646 56.400 -0.075 0.000 0.801 271 E CB -0.096 29.696 29.700 0.154 0.000 0.750 271 E HN 0.531 nan 8.360 nan 0.000 0.452 272 S N 0.506 116.174 115.700 -0.054 0.000 2.368 272 S HA -0.072 4.398 4.470 0.000 0.000 0.224 272 S C 1.848 176.391 174.600 -0.096 0.000 1.029 272 S CA 0.828 59.019 58.200 -0.015 0.000 0.988 272 S CB -0.129 63.120 63.200 0.082 0.000 0.838 272 S HN 0.281 nan 8.310 nan 0.000 0.462 273 L N 1.216 122.305 121.223 -0.225 0.000 2.465 273 L HA 0.020 4.360 4.340 0.000 0.000 0.224 273 L C 0.571 177.337 176.870 -0.173 0.000 1.145 273 L CA 0.317 54.993 54.840 -0.272 0.000 0.834 273 L CB -0.566 41.189 42.059 -0.507 0.000 0.944 273 L HN 0.227 nan 8.230 nan 0.000 0.451 274 D N 0.116 120.438 120.400 -0.129 0.000 2.689 274 D HA -0.191 4.449 4.640 0.000 0.000 0.237 274 D C 0.294 176.567 176.300 -0.045 0.000 1.148 274 D CA 0.595 54.574 54.000 -0.036 0.000 0.656 274 D CB -0.947 39.854 40.800 0.002 0.000 1.050 274 D HN 0.496 nan 8.370 nan 0.000 0.426 275 C N -1.477 117.744 119.300 -0.131 0.000 2.396 275 C HA 0.583 5.043 4.460 0.000 0.000 0.359 275 C C 1.797 176.791 174.990 0.008 0.000 1.307 275 C CA -0.606 58.339 59.018 -0.121 0.000 2.392 275 C CB 1.520 29.108 27.740 -0.253 0.000 2.245 275 C HN 0.362 nan 8.230 nan 0.000 0.615 276 Q N -0.016 119.786 119.800 0.003 0.000 2.259 276 Q HA 0.269 4.609 4.340 0.000 0.000 0.201 276 Q C 0.168 176.214 176.000 0.077 0.000 0.938 276 Q CA 0.973 56.831 55.803 0.092 0.000 0.872 276 Q CB 0.115 28.937 28.738 0.139 0.000 0.971 276 Q HN 0.695 nan 8.270 nan 0.000 0.494 277 V N 0.785 120.664 119.914 -0.059 0.000 2.709 277 V HA 0.430 4.550 4.120 0.000 0.000 0.308 277 V C -0.843 175.069 176.094 -0.303 0.000 1.062 277 V CA -0.879 61.328 62.300 -0.154 0.000 0.901 277 V CB 2.441 34.157 31.823 -0.179 0.000 1.003 277 V HN -0.072 nan 8.190 nan 0.000 0.425 278 V N 5.889 125.586 119.914 -0.361 0.000 2.495 278 V HA 0.709 4.829 4.120 0.000 0.000 0.298 278 V C -0.853 174.925 176.094 -0.527 0.000 1.031 278 V CA -0.231 61.786 62.300 -0.471 0.000 0.871 278 V CB 2.076 33.572 31.823 -0.545 0.000 0.988 278 V HN 0.650 nan 8.190 nan 0.000 0.432 279 V N 9.337 128.926 119.914 -0.542 0.000 2.357 279 V HA 0.437 4.557 4.120 0.000 0.000 0.281 279 V C -2.293 173.498 176.094 -0.505 0.000 1.015 279 V CA -1.510 60.453 62.300 -0.562 0.000 0.827 279 V CB 1.745 33.188 31.823 -0.633 0.000 1.018 279 V HN 0.834 nan 8.190 nan 0.000 0.432 280 P HA 0.297 nan 4.420 nan 0.000 0.271 280 P C -1.020 176.273 177.300 -0.011 0.000 1.218 280 P CA 0.217 63.160 63.100 -0.262 0.000 0.780 280 P CB 1.020 32.442 31.700 -0.464 0.000 0.901 281 F N 0.306 120.281 119.950 0.041 0.000 2.824 281 F HA 0.496 5.023 4.527 0.000 0.000 0.330 281 F C 1.045 177.172 175.800 0.545 0.000 1.175 281 F CA -1.602 56.456 58.000 0.097 0.000 0.974 281 F CB -0.633 38.091 39.000 -0.460 0.000 1.430 281 F HN 0.555 nan 8.300 nan 0.000 0.507 282 H N 0.237 119.556 119.070 0.415 0.000 4.158 282 H HA -0.206 4.350 4.556 0.000 0.000 0.150 282 H C 1.373 176.866 175.328 0.275 0.000 0.823 282 H CA 1.983 58.136 56.048 0.175 0.000 1.252 282 H CB -1.462 28.332 29.762 0.054 0.000 0.889 282 H HN 0.916 nan 8.280 nan 0.000 0.437 283 H N 0.961 120.334 119.070 0.505 0.000 2.547 283 H HA 0.063 4.619 4.556 0.000 0.000 0.266 283 H C 1.297 176.846 175.328 0.367 0.000 0.988 283 H CA 0.984 57.288 56.048 0.426 0.000 1.147 283 H CB -0.009 30.087 29.762 0.557 0.000 1.365 283 H HN 0.608 nan 8.280 nan 0.000 0.589 284 D N 0.425 120.856 120.400 0.052 0.000 2.355 284 D HA -0.064 4.576 4.640 0.000 0.000 0.206 284 D C 1.812 178.049 176.300 -0.105 0.000 1.010 284 D CA -0.195 53.748 54.000 -0.095 0.000 0.875 284 D CB -0.238 40.349 40.800 -0.356 0.000 0.966 284 D HN 0.327 nan 8.370 nan 0.000 0.512 285 I N -0.483 120.000 120.570 -0.145 0.000 2.480 285 I HA 0.121 4.291 4.170 0.000 0.000 0.251 285 I C -0.028 175.908 176.117 -0.303 0.000 1.124 285 I CA 0.304 61.373 61.300 -0.386 0.000 1.444 285 I CB 0.219 37.788 38.000 -0.717 0.000 1.098 285 I HN -0.058 nan 8.210 nan 0.000 0.428 286 W N -0.620 120.777 121.300 0.161 0.000 2.475 286 W HA 0.534 5.194 4.660 0.000 0.000 0.317 286 W C 1.230 177.878 176.519 0.216 0.000 1.046 286 W CA -0.591 56.871 57.345 0.194 0.000 1.215 286 W CB 1.287 30.891 29.460 0.240 0.000 1.335 286 W HN -0.081 nan 8.180 nan 0.000 0.471 287 A N 2.579 125.673 122.820 0.457 0.000 1.917 287 A HA -0.301 4.019 4.320 0.000 0.000 0.219 287 A C 1.913 179.646 177.584 0.248 0.000 1.182 287 A CA 2.227 54.435 52.037 0.285 0.000 0.633 287 A CB -0.583 18.547 19.000 0.218 0.000 0.819 287 A HN 0.754 nan 8.150 nan 0.000 0.448 288 N N -1.362 117.500 118.700 0.271 0.000 2.521 288 N HA -0.008 4.732 4.740 0.000 0.000 0.188 288 N C 0.363 175.853 175.510 -0.034 0.000 1.146 288 N CA 0.591 53.699 53.050 0.096 0.000 0.893 288 N CB -0.446 38.047 38.487 0.010 0.000 0.975 288 N HN 0.476 nan 8.380 nan 0.000 0.451 289 F N 0.555 120.598 119.950 0.155 0.000 2.698 289 F HA 0.270 4.797 4.527 0.000 0.000 0.304 289 F C 0.960 176.825 175.800 0.108 0.000 1.108 289 F CA -0.829 57.245 58.000 0.122 0.000 1.263 289 F CB 0.205 39.312 39.000 0.178 0.000 1.013 289 F HN -0.035 nan 8.300 nan 0.000 0.532 290 Q N 2.636 122.568 119.800 0.221 0.000 2.304 290 Q HA -0.009 4.331 4.340 0.000 0.000 0.315 290 Q C -0.574 175.509 176.000 0.138 0.000 1.075 290 Q CA 0.664 56.576 55.803 0.181 0.000 0.988 290 Q CB 0.444 29.265 28.738 0.138 0.000 1.146 290 Q HN 0.650 nan 8.270 nan 0.000 0.383 291 N N 1.400 120.203 118.700 0.172 0.000 3.157 291 N HA 0.408 5.148 4.740 0.000 0.000 0.291 291 N C -1.967 173.678 175.510 0.226 0.000 1.515 291 N CA -0.903 52.237 53.050 0.149 0.000 0.807 291 N CB 1.188 39.709 38.487 0.057 0.000 1.672 291 N HN 0.349 nan 8.380 nan 0.000 0.592 292 D N -1.170 119.392 120.400 0.269 0.000 2.389 292 D HA 0.424 5.064 4.640 0.000 0.000 0.256 292 D C -2.175 174.326 176.300 0.335 0.000 1.239 292 D CA -2.144 52.008 54.000 0.253 0.000 0.925 292 D CB 1.570 42.469 40.800 0.166 0.000 1.145 292 D HN 0.282 nan 8.370 nan 0.000 0.542 293 P HA -0.012 nan 4.420 nan 0.000 0.226 293 P C 1.276 178.527 177.300 -0.082 0.000 1.153 293 P CA 0.464 63.646 63.100 0.137 0.000 0.777 293 P CB 0.294 32.102 31.700 0.179 0.000 0.794 294 R N 0.222 120.661 120.500 -0.101 0.000 2.200 294 R HA -0.152 4.188 4.340 0.000 0.000 0.234 294 R C 1.953 178.245 176.300 -0.014 0.000 1.127 294 R CA 1.112 57.124 56.100 -0.146 0.000 0.989 294 R CB -0.478 29.779 30.300 -0.073 0.000 0.869 294 R HN 0.411 nan 8.270 nan 0.000 0.459 295 E N 0.487 120.728 120.200 0.067 0.000 2.118 295 E HA -0.200 4.151 4.350 0.000 0.000 0.195 295 E C 1.950 178.619 176.600 0.116 0.000 0.992 295 E CA 1.152 57.619 56.400 0.113 0.000 0.804 295 E CB -0.127 29.682 29.700 0.181 0.000 0.741 295 E HN 0.368 nan 8.360 nan 0.000 0.458 296 I N 0.957 121.576 120.570 0.081 0.000 2.202 296 I HA -0.256 3.914 4.170 0.000 0.000 0.242 296 I C 2.658 178.941 176.117 0.277 0.000 1.091 296 I CA 1.152 62.532 61.300 0.133 0.000 1.368 296 I CB -0.201 37.837 38.000 0.062 0.000 1.058 296 I HN 0.119 nan 8.210 nan 0.000 0.410 297 E N 0.880 121.234 120.200 0.256 0.000 2.077 297 E HA -0.186 4.165 4.350 0.000 0.000 0.193 297 E C 2.323 179.120 176.600 0.328 0.000 0.989 297 E CA 1.425 58.016 56.400 0.318 0.000 0.800 297 E CB 0.162 29.900 29.700 0.064 0.000 0.746 297 E HN 0.246 nan 8.360 nan 0.000 0.452 298 V N 1.316 121.346 119.914 0.193 0.000 2.295 298 V HA -0.270 3.850 4.120 0.000 0.000 0.246 298 V C 2.469 178.669 176.094 0.178 0.000 1.049 298 V CA 1.535 63.932 62.300 0.161 0.000 1.024 298 V CB -0.438 31.445 31.823 0.100 0.000 0.648 298 V HN 0.341 nan 8.190 nan 0.000 0.447 299 L N -1.573 119.771 121.223 0.201 0.000 2.046 299 L HA -0.214 4.126 4.340 0.000 0.000 0.208 299 L C 2.331 179.361 176.870 0.267 0.000 1.077 299 L CA 2.219 57.178 54.840 0.199 0.000 0.747 299 L CB -0.579 41.603 42.059 0.205 0.000 0.896 299 L HN 0.550 nan 8.230 nan 0.000 0.432 300 W N 1.642 123.046 121.300 0.174 0.000 2.335 300 W HA -0.254 4.406 4.660 0.000 0.000 0.311 300 W C 2.223 178.813 176.519 0.119 0.000 1.213 300 W CA 2.173 59.646 57.345 0.214 0.000 1.274 300 W CB -0.437 29.140 29.460 0.195 0.000 1.148 300 W HN 0.129 nan 8.180 nan 0.000 0.498 301 N N -0.402 118.363 118.700 0.109 0.000 2.149 301 N HA -0.228 4.512 4.740 0.000 0.000 0.188 301 N C 1.864 177.267 175.510 -0.177 0.000 1.019 301 N CA 2.263 55.222 53.050 -0.152 0.000 0.857 301 N CB -0.439 38.080 38.487 0.053 0.000 0.997 301 N HN 0.196 nan 8.380 nan 0.000 0.426 302 M N -0.048 119.509 119.600 -0.072 0.000 2.319 302 M HA -0.052 4.428 4.480 0.000 0.000 0.265 302 M C 1.275 177.486 176.300 -0.149 0.000 1.068 302 M CA 1.312 56.563 55.300 -0.082 0.000 1.118 302 M CB 0.171 32.760 32.600 -0.018 0.000 1.395 302 M HN 0.057 nan 8.290 nan 0.000 0.435 303 K N -0.147 120.131 120.400 -0.204 0.000 2.391 303 K HA 0.060 4.380 4.320 0.000 0.000 0.197 303 K C 1.755 178.008 176.600 -0.579 0.000 1.087 303 K CA 0.053 56.145 56.287 -0.325 0.000 1.012 303 K CB 0.342 32.682 32.500 -0.266 0.000 0.925 303 K HN 0.268 nan 8.250 nan 0.000 0.547 304 K N 1.462 121.503 120.400 -0.599 0.000 2.097 304 K HA -0.191 4.129 4.320 0.000 0.000 0.206 304 K C 1.581 177.896 176.600 -0.476 0.000 1.049 304 K CA 1.857 57.743 56.287 -0.669 0.000 0.933 304 K CB -0.085 31.839 32.500 -0.960 0.000 0.717 304 K HN 0.008 nan 8.250 nan 0.000 0.442 305 D N 1.399 121.574 120.400 -0.375 0.000 2.103 305 D HA -0.163 4.477 4.640 0.000 0.000 0.199 305 D C 2.176 178.339 176.300 -0.228 0.000 0.978 305 D CA 0.827 54.674 54.000 -0.255 0.000 0.829 305 D CB 0.033 40.715 40.800 -0.197 0.000 0.981 305 D HN 0.267 nan 8.370 nan 0.000 0.464 306 R N 0.092 120.445 120.500 -0.244 0.000 2.081 306 R HA -0.039 4.301 4.340 0.000 0.000 0.235 306 R C 2.306 178.474 176.300 -0.220 0.000 1.131 306 R CA 0.897 56.877 56.100 -0.199 0.000 0.960 306 R CB -0.077 30.113 30.300 -0.183 0.000 0.856 306 R HN 0.237 nan 8.270 nan 0.000 0.436 307 L N 0.496 121.506 121.223 -0.356 0.000 2.607 307 L HA 0.143 4.483 4.340 0.000 0.000 0.228 307 L C 0.191 176.927 176.870 -0.224 0.000 1.123 307 L CA 0.118 54.754 54.840 -0.340 0.000 0.890 307 L CB 0.058 41.771 42.059 -0.576 0.000 1.103 307 L HN 0.289 nan 8.230 nan 0.000 0.468 308 Q N -0.748 118.920 119.800 -0.219 0.000 2.453 308 Q HA -0.239 4.101 4.340 0.000 0.000 0.294 308 Q C -0.777 175.228 176.000 0.008 0.000 1.295 308 Q CA 0.360 56.102 55.803 -0.102 0.000 0.853 308 Q CB -1.696 27.014 28.738 -0.047 0.000 1.193 308 Q HN 0.291 nan 8.270 nan 0.000 0.461 309 Y N 0.733 120.933 120.300 -0.167 0.000 2.717 309 Y HA -0.085 4.465 4.550 0.000 0.000 0.330 309 Y C 1.602 177.367 175.900 -0.224 0.000 1.217 309 Y CA 0.325 58.273 58.100 -0.253 0.000 1.506 309 Y CB 0.456 38.562 38.460 -0.590 0.000 1.268 309 Y HN 0.217 nan 8.280 nan 0.000 0.561 310 Q N 3.994 123.837 119.800 0.071 0.000 2.220 310 Q HA 0.140 4.480 4.340 0.000 0.000 0.205 310 Q C -0.592 175.488 176.000 0.134 0.000 0.865 310 Q CA -0.002 55.859 55.803 0.096 0.000 0.960 310 Q CB -0.049 28.771 28.738 0.136 0.000 1.097 310 Q HN 0.574 nan 8.270 nan 0.000 0.493 311 F N -1.417 118.631 119.950 0.163 0.000 2.618 311 F HA 0.906 5.433 4.527 0.000 0.000 0.332 311 F C -0.616 175.268 175.800 0.141 0.000 1.061 311 F CA -1.904 56.135 58.000 0.064 0.000 0.974 311 F CB 0.939 39.889 39.000 -0.083 0.000 1.310 311 F HN -0.200 nan 8.300 nan 0.000 0.491 312 A N 1.376 124.246 122.820 0.083 0.000 2.435 312 A HA 0.834 5.154 4.320 0.000 0.000 0.304 312 A C -3.083 174.218 177.584 -0.471 0.000 1.064 312 A CA -1.980 49.819 52.037 -0.397 0.000 0.727 312 A CB 1.618 20.456 19.000 -0.270 0.000 1.284 312 A HN 0.594 nan 8.150 nan 0.000 0.415 313 P HA 0.458 nan 4.420 nan 0.000 0.281 313 P C -1.198 175.636 177.300 -0.776 0.000 1.249 313 P CA -0.098 62.537 63.100 -0.776 0.000 0.810 313 P CB 0.908 32.124 31.700 -0.807 0.000 1.008 314 F N 2.764 122.085 119.950 -1.049 0.000 2.507 314 F HA 0.514 5.041 4.527 0.000 0.000 0.328 314 F C -1.533 173.660 175.800 -1.011 0.000 1.136 314 F CA -1.240 56.233 58.000 -0.878 0.000 0.930 314 F CB 1.004 39.569 39.000 -0.724 0.000 1.166 314 F HN 0.056 nan 8.300 nan 0.000 0.436 315 F N 6.564 125.939 119.950 -0.959 0.000 2.334 315 F HA 0.272 4.799 4.527 0.000 0.000 0.367 315 F C -0.234 175.227 175.800 -0.566 0.000 1.115 315 F CA -0.618 57.056 58.000 -0.542 0.000 1.116 315 F CB 0.405 39.266 39.000 -0.233 0.000 1.230 315 F HN 0.474 nan 8.300 nan 0.000 0.484 316 W N 3.264 124.341 121.300 -0.372 0.000 2.181 316 W HA 0.503 5.163 4.660 0.000 0.000 0.415 316 W C -0.628 176.086 176.519 0.325 0.000 1.689 316 W CA -0.783 56.481 57.345 -0.134 0.000 1.859 316 W CB 1.022 30.460 29.460 -0.037 0.000 1.425 316 W HN 0.252 nan 8.180 nan 0.000 0.713 317 Q N 0.716 120.818 119.800 0.502 0.000 2.359 317 Q HA 0.287 4.627 4.340 0.000 0.000 0.274 317 Q C -1.026 174.953 176.000 -0.036 0.000 1.074 317 Q CA -1.018 54.962 55.803 0.295 0.000 0.810 317 Q CB 2.082 30.934 28.738 0.189 0.000 1.342 317 Q HN 0.145 nan 8.270 nan 0.000 0.427 318 V N 1.362 121.022 119.914 -0.423 0.000 2.540 318 V HA 0.242 4.362 4.120 0.000 0.000 0.297 318 V C 1.380 177.261 176.094 -0.355 0.000 1.024 318 V CA 1.951 63.737 62.300 -0.856 0.000 1.105 318 V CB 0.277 31.488 31.823 -1.021 0.000 0.938 318 V HN 1.094 nan 8.190 nan 0.000 0.482 319 G N 3.685 112.250 108.800 -0.390 0.000 2.195 319 G HA2 -0.149 3.811 3.960 0.000 0.000 0.246 319 G HA3 -0.149 3.811 3.960 0.000 0.000 0.246 319 G C 0.545 175.664 174.900 0.365 0.000 0.984 319 G CA -0.087 44.944 45.100 -0.114 0.000 0.633 319 G HN 1.326 nan 8.290 nan 0.000 0.525 320 G N -0.279 108.569 108.800 0.080 0.000 2.572 320 G HA2 0.523 4.483 3.960 0.000 0.000 0.261 320 G HA3 0.523 4.483 3.960 0.000 0.000 0.261 320 G C -0.104 174.912 174.900 0.194 0.000 1.197 320 G CA 0.293 45.405 45.100 0.020 0.000 0.870 320 G HN 0.506 nan 8.290 nan 0.000 0.548 321 K N -0.794 119.808 120.400 0.337 0.000 2.156 321 K HA 0.548 4.869 4.320 0.000 0.000 0.250 321 K C -1.855 174.927 176.600 0.303 0.000 0.955 321 K CA -0.837 55.487 56.287 0.061 0.000 0.855 321 K CB 1.440 33.920 32.500 -0.033 0.000 1.101 321 K HN 0.476 nan 8.250 nan 0.000 0.434 322 Y N 0.873 121.058 120.300 -0.191 0.000 2.396 322 Y HA 0.305 4.856 4.550 0.000 0.000 0.332 322 Y C -1.553 174.032 175.900 -0.525 0.000 1.034 322 Y CA -0.417 57.392 58.100 -0.484 0.000 1.057 322 Y CB 2.198 40.047 38.460 -1.019 0.000 1.220 322 Y HN 0.542 nan 8.280 nan 0.000 0.440 323 T N 6.410 120.357 114.554 -1.013 0.000 2.809 323 T HA 0.298 4.648 4.350 0.000 0.000 0.284 323 T C -1.818 172.298 174.700 -0.973 0.000 0.992 323 T CA -0.441 61.174 62.100 -0.807 0.000 0.957 323 T CB 0.542 69.118 68.868 -0.487 0.000 0.942 323 T HN 0.509 nan 8.240 nan 0.000 0.439 324 Y N 5.666 125.358 120.300 -1.013 0.000 2.377 324 Y HA 0.462 5.012 4.550 0.000 0.000 0.339 324 Y C -2.044 173.622 175.900 -0.390 0.000 1.011 324 Y CA -2.557 55.096 58.100 -0.745 0.000 1.093 324 Y CB 2.338 40.383 38.460 -0.692 0.000 1.201 324 Y HN 0.362 nan 8.280 nan 0.000 0.455 325 P HA 0.037 nan 4.420 nan 0.000 0.257 325 P C 0.800 177.661 177.300 -0.732 0.000 1.281 325 P CA 0.666 62.953 63.100 -1.355 0.000 0.826 325 P CB 0.252 31.342 31.700 -1.016 0.000 1.237 326 T N 0.234 114.470 114.554 -0.530 0.000 2.737 326 T HA -0.136 4.214 4.350 0.000 0.000 0.269 326 T C 0.948 175.421 174.700 -0.377 0.000 1.040 326 T CA 1.745 63.618 62.100 -0.377 0.000 1.142 326 T CB -0.600 68.078 68.868 -0.316 0.000 0.861 326 T HN 0.192 nan 8.240 nan 0.000 0.456 327 D N 0.504 120.577 120.400 -0.545 0.000 2.328 327 D HA 0.142 4.782 4.640 0.000 0.000 0.221 327 D C 0.591 176.702 176.300 -0.315 0.000 1.072 327 D CA 0.072 53.786 54.000 -0.476 0.000 0.850 327 D CB -0.001 40.331 40.800 -0.779 0.000 0.922 327 D HN 0.365 nan 8.370 nan 0.000 0.516 328 K N 0.014 120.238 120.400 -0.293 0.000 2.436 328 K HA 0.229 4.549 4.320 0.000 0.000 0.275 328 K C 1.191 177.752 176.600 -0.064 0.000 0.999 328 K CA 0.902 57.114 56.287 -0.125 0.000 0.980 328 K CB 0.545 32.942 32.500 -0.171 0.000 0.919 328 K HN 0.178 nan 8.250 nan 0.000 0.484 329 G N 3.064 111.863 108.800 -0.001 0.000 2.284 329 G HA2 -0.203 3.757 3.960 0.000 0.000 0.230 329 G HA3 -0.203 3.757 3.960 0.000 0.000 0.230 329 G C -0.129 174.807 174.900 0.060 0.000 1.021 329 G CA -0.420 44.695 45.100 0.025 0.000 0.619 329 G HN 0.542 nan 8.290 nan 0.000 0.510 330 R N 0.361 120.909 120.500 0.080 0.000 2.340 330 R HA 0.591 4.931 4.340 0.000 0.000 0.300 330 R C 1.107 177.569 176.300 0.270 0.000 1.069 330 R CA 0.143 56.351 56.100 0.179 0.000 0.984 330 R CB 1.157 31.592 30.300 0.225 0.000 1.003 330 R HN 0.493 nan 8.270 nan 0.000 0.459 331 M N 1.971 121.682 119.600 0.185 0.000 2.730 331 M HA 0.084 4.564 4.480 0.000 0.000 0.258 331 M C -0.168 176.008 176.300 -0.207 0.000 1.279 331 M CA 0.932 56.233 55.300 0.001 0.000 1.183 331 M CB 0.662 33.212 32.600 -0.084 0.000 1.291 331 M HN 0.415 nan 8.290 nan 0.000 0.518 332 H N 0.300 119.480 119.070 0.184 0.000 2.638 332 H HA 0.174 4.730 4.556 0.000 0.000 0.317 332 H C -1.714 173.708 175.328 0.157 0.000 1.006 332 H CA -0.689 55.436 56.048 0.128 0.000 1.222 332 H CB 0.475 30.309 29.762 0.120 0.000 1.419 332 H HN 0.226 nan 8.280 nan 0.000 0.489 333 Y N 2.891 123.224 120.300 0.055 0.000 2.497 333 Y HA 0.115 4.665 4.550 0.000 0.000 0.334 333 Y C 0.062 176.074 175.900 0.188 0.000 1.199 333 Y CA 0.072 58.300 58.100 0.212 0.000 1.425 333 Y CB 0.723 39.363 38.460 0.300 0.000 1.291 333 Y HN 0.540 nan 8.280 nan 0.000 0.562 334 Q N 4.578 124.091 119.800 -0.478 0.000 2.304 334 Q HA 0.289 4.629 4.340 0.000 0.000 0.270 334 Q C -1.387 174.280 176.000 -0.555 0.000 1.035 334 Q CA -0.660 54.959 55.803 -0.308 0.000 0.781 334 Q CB 0.667 29.356 28.738 -0.081 0.000 1.261 334 Q HN 0.730 nan 8.270 nan 0.000 0.444 335 H N 2.448 121.458 119.070 -0.100 0.000 2.929 335 H HA -0.013 4.543 4.556 0.000 0.000 0.358 335 H C -0.203 175.188 175.328 0.106 0.000 1.111 335 H CA 0.382 56.494 56.048 0.106 0.000 1.409 335 H CB 0.293 30.181 29.762 0.209 0.000 1.373 335 H HN 0.640 nan 8.280 nan 0.000 0.610 336 F N 2.051 122.111 119.950 0.183 0.000 2.623 336 F HA -0.071 4.456 4.527 0.000 0.000 0.383 336 F C 1.207 177.063 175.800 0.093 0.000 1.077 336 F CA 0.084 58.155 58.000 0.119 0.000 1.268 336 F CB 0.325 39.416 39.000 0.151 0.000 1.053 336 F HN 0.441 nan 8.300 nan 0.000 0.571 337 R N 3.786 124.043 120.500 -0.405 0.000 2.276 337 R HA 0.273 4.613 4.340 0.000 0.000 0.196 337 R C 1.195 177.177 176.300 -0.530 0.000 0.961 337 R CA 0.372 56.272 56.100 -0.333 0.000 1.024 337 R CB -0.485 29.749 30.300 -0.111 0.000 0.940 337 R HN 1.018 nan 8.270 nan 0.000 0.480 338 G N 0.863 108.772 108.800 -1.484 0.000 2.698 338 G HA2 -0.313 3.647 3.960 0.000 0.000 0.233 338 G HA3 -0.313 3.647 3.960 0.000 0.000 0.233 338 G C -0.044 174.656 174.900 -0.334 0.000 1.352 338 G CA -0.324 44.103 45.100 -1.121 0.000 0.879 338 G HN 0.306 nan 8.290 nan 0.000 0.567 339 F N -1.419 118.416 119.950 -0.193 0.000 3.093 339 F HA -0.226 4.301 4.527 0.000 0.000 0.287 339 F C 2.058 177.839 175.800 -0.032 0.000 0.882 339 F CA 1.404 59.341 58.000 -0.105 0.000 1.063 339 F CB -1.622 37.292 39.000 -0.143 0.000 1.097 339 F HN 0.529 nan 8.300 nan 0.000 0.604 340 Q N 0.763 120.653 119.800 0.150 0.000 2.291 340 Q HA -0.140 4.200 4.340 0.000 0.000 0.205 340 Q C 1.498 177.576 176.000 0.130 0.000 0.970 340 Q CA 1.725 57.638 55.803 0.182 0.000 0.876 340 Q CB -0.246 28.653 28.738 0.269 0.000 0.935 340 Q HN 0.745 nan 8.270 nan 0.000 0.455 341 D N -0.388 120.073 120.400 0.102 0.000 2.587 341 D HA 0.055 4.695 4.640 0.000 0.000 0.233 341 D C 0.324 176.662 176.300 0.064 0.000 1.213 341 D CA -0.599 53.447 54.000 0.077 0.000 0.827 341 D CB -0.567 40.265 40.800 0.054 0.000 1.006 341 D HN 0.002 nan 8.370 nan 0.000 0.490 342 I N 0.375 120.986 120.570 0.068 0.000 2.826 342 I HA -0.010 4.161 4.170 0.000 0.000 0.295 342 I C 0.256 176.391 176.117 0.031 0.000 1.213 342 I CA 0.284 61.558 61.300 -0.043 0.000 1.436 342 I CB -0.514 37.464 38.000 -0.037 0.000 1.348 342 I HN 0.178 nan 8.210 nan 0.000 0.570 343 F N 4.608 124.595 119.950 0.062 0.000 3.100 343 F HA -0.353 4.174 4.527 0.000 0.000 0.283 343 F C 1.728 177.552 175.800 0.041 0.000 0.900 343 F CA 1.178 59.204 58.000 0.042 0.000 1.010 343 F CB -1.418 37.599 39.000 0.030 0.000 1.029 343 F HN 0.642 nan 8.300 nan 0.000 0.637 344 K N 0.252 120.731 120.400 0.133 0.000 2.063 344 K HA -0.168 4.152 4.320 0.000 0.000 0.208 344 K C 0.862 177.524 176.600 0.104 0.000 1.048 344 K CA 1.807 58.155 56.287 0.101 0.000 0.928 344 K CB 0.098 32.636 32.500 0.063 0.000 0.713 344 K HN 0.348 nan 8.250 nan 0.000 0.442 345 N N 0.500 119.264 118.700 0.107 0.000 2.457 345 N HA 0.123 4.863 4.740 0.000 0.000 0.290 345 N C -0.904 174.704 175.510 0.163 0.000 1.232 345 N CA -0.525 52.587 53.050 0.103 0.000 0.852 345 N CB 1.234 39.761 38.487 0.067 0.000 1.313 345 N HN 0.002 nan 8.380 nan 0.000 0.522 346 E N 1.483 121.763 120.200 0.133 0.000 2.373 346 E HA 0.270 4.620 4.350 0.000 0.000 0.263 346 E C -1.718 174.983 176.600 0.169 0.000 1.073 346 E CA -1.098 55.399 56.400 0.162 0.000 0.894 346 E CB 0.142 29.895 29.700 0.089 0.000 1.008 346 E HN 0.390 nan 8.360 nan 0.000 0.420 347 P HA 0.097 nan 4.420 nan 0.000 0.274 347 P C -0.636 176.712 177.300 0.081 0.000 1.256 347 P CA -0.112 63.090 63.100 0.170 0.000 0.795 347 P CB 0.728 32.588 31.700 0.268 0.000 1.038 348 E N 1.149 121.372 120.200 0.038 0.000 2.376 348 E HA 0.421 4.771 4.350 0.000 0.000 0.236 348 E C -1.190 175.381 176.600 -0.048 0.000 0.962 348 E CA -0.359 56.041 56.400 -0.001 0.000 0.768 348 E CB -0.085 29.611 29.700 -0.006 0.000 1.236 348 E HN 0.349 nan 8.360 nan 0.000 0.431 349 L N 3.672 124.856 121.223 -0.065 0.000 2.350 349 L HA 0.463 4.803 4.340 0.000 0.000 0.260 349 L C -1.689 175.086 176.870 -0.158 0.000 1.015 349 L CA -2.122 52.612 54.840 -0.176 0.000 0.821 349 L CB 1.836 43.813 42.059 -0.138 0.000 1.370 349 L HN 0.358 nan 8.230 nan 0.000 0.416 350 P HA -0.069 nan 4.420 nan 0.000 0.222 350 P C -1.248 176.157 177.300 0.176 0.000 1.147 350 P CA 1.198 64.272 63.100 -0.042 0.000 0.790 350 P CB 0.002 31.677 31.700 -0.042 0.000 0.780 351 Y N -5.989 114.312 120.300 0.001 0.000 2.620 351 Y HA 0.496 5.046 4.550 0.000 0.000 0.331 351 Y C 0.984 176.939 175.900 0.091 0.000 1.173 351 Y CA -1.554 56.575 58.100 0.048 0.000 1.076 351 Y CB 0.184 38.680 38.460 0.059 0.000 1.336 351 Y HN -0.474 nan 8.280 nan 0.000 0.459 352 K N 2.298 122.774 120.400 0.127 0.000 2.034 352 K HA -0.090 4.230 4.320 0.000 0.000 0.214 352 K C 1.630 178.237 176.600 0.013 0.000 1.051 352 K CA 2.548 58.866 56.287 0.052 0.000 0.931 352 K CB -0.723 31.816 32.500 0.064 0.000 0.715 352 K HN 0.904 nan 8.250 nan 0.000 0.446 353 A N -0.542 122.335 122.820 0.096 0.000 2.276 353 A HA 0.101 4.421 4.320 0.000 0.000 0.212 353 A C 1.549 179.090 177.584 -0.073 0.000 1.230 353 A CA 0.005 52.091 52.037 0.082 0.000 0.844 353 A CB -0.980 18.145 19.000 0.209 0.000 0.860 353 A HN 0.469 nan 8.150 nan 0.000 0.486 354 F N 0.203 119.731 119.950 -0.703 0.000 2.120 354 F HA 0.004 4.531 4.527 0.000 0.000 0.300 354 F C 0.597 176.248 175.800 -0.248 0.000 1.095 354 F CA 1.603 59.141 58.000 -0.770 0.000 1.249 354 F CB 0.007 38.529 39.000 -0.795 0.000 0.995 354 F HN 0.167 nan 8.300 nan 0.000 0.480 355 L N 0.000 121.088 121.223 -0.226 0.000 2.949 355 L HA 0.000 4.340 4.340 0.000 0.000 0.249 355 L CA 0.000 54.717 54.840 -0.206 0.000 0.813 355 L CB 0.000 41.975 42.059 -0.140 0.000 0.961 355 L HN 0.000 nan 8.230 nan 0.000 0.502