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 1i4n_1_A DATA FIRST_RESID 2 DATA SEQUENCE RRLWEIVEAK KKDILEIDGE NLIVQRRNHR FLEVLSGKER VKIIAEFKKA DATA SEQUENCE SPSAGDINAD ASLEDFIRMY DELADAISIL TEKHYFKGDP AFVRAARNLT DATA SEQUENCE CRPILAKDFY IDTVQVKLAS SVGADAILII ARILTAEQIK EIYEAAEELG DATA SEQUENCE MDSLVEVHSR EDLEKVFSVI RPKIIGINTR DLDTFEIKKN VLWELLPLVP DATA SEQUENCE DDTVVVAESG IKDPRELKDL RGKVNAVLVG TSIMKAENPR RFLEEMRAWS DATA SEQUENCE E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.352 176.300 0.086 0.000 0.893 2 R CA 0.000 56.145 56.100 0.075 0.000 0.921 2 R CB 0.000 30.325 30.300 0.042 0.000 0.687 3 R N 2.313 122.885 120.500 0.121 0.000 2.507 3 R HA 0.137 4.481 4.340 0.007 0.000 0.230 3 R C 1.310 177.634 176.300 0.041 0.000 0.897 3 R CA -0.109 56.039 56.100 0.080 0.000 1.006 3 R CB -0.023 30.328 30.300 0.085 0.000 1.341 3 R HN 0.417 nan 8.270 nan 0.000 0.604 4 L N 0.393 121.660 121.223 0.074 0.000 1.997 4 L HA -0.173 4.171 4.340 0.007 0.000 0.216 4 L C 2.021 178.916 176.870 0.041 0.000 1.074 4 L CA 1.952 56.813 54.840 0.036 0.000 0.763 4 L CB -0.784 41.311 42.059 0.060 0.000 0.890 4 L HN 0.250 nan 8.230 nan 0.000 0.434 5 W N 0.605 121.874 121.300 -0.052 0.000 2.318 5 W HA -0.270 4.394 4.660 0.007 0.000 0.313 5 W C 2.660 179.141 176.519 -0.062 0.000 1.221 5 W CA 2.358 59.677 57.345 -0.043 0.000 1.266 5 W CB -0.218 29.227 29.460 -0.026 0.000 1.150 5 W HN 0.300 nan 8.180 nan 0.000 0.496 6 E N -0.099 120.202 120.200 0.167 0.000 2.085 6 E HA -0.271 4.083 4.350 0.007 0.000 0.194 6 E C 2.121 178.628 176.600 -0.155 0.000 0.994 6 E CA 2.042 58.461 56.400 0.031 0.000 0.801 6 E CB -0.486 29.263 29.700 0.082 0.000 0.743 6 E HN 0.371 nan 8.360 nan 0.000 0.453 7 I N 0.063 120.470 120.570 -0.270 0.000 2.202 7 I HA -0.261 3.914 4.170 0.007 0.000 0.242 7 I C 2.379 178.315 176.117 -0.302 0.000 1.091 7 I CA 0.652 61.717 61.300 -0.391 0.000 1.368 7 I CB -0.107 37.495 38.000 -0.663 0.000 1.058 7 I HN 0.029 nan 8.210 nan 0.000 0.410 8 V N 0.548 120.285 119.914 -0.295 0.000 2.332 8 V HA -0.256 3.869 4.120 0.007 0.000 0.248 8 V C 2.460 178.392 176.094 -0.270 0.000 1.055 8 V CA 1.722 63.877 62.300 -0.243 0.000 1.038 8 V CB -0.613 31.087 31.823 -0.203 0.000 0.651 8 V HN 0.408 nan 8.190 nan 0.000 0.450 9 E N 0.165 120.119 120.200 -0.409 0.000 2.153 9 E HA -0.153 4.202 4.350 0.007 0.000 0.194 9 E C 2.296 178.760 176.600 -0.227 0.000 0.988 9 E CA 1.395 57.550 56.400 -0.408 0.000 0.811 9 E CB -0.344 28.953 29.700 -0.671 0.000 0.746 9 E HN 0.600 nan 8.360 nan 0.000 0.466 10 A N 0.867 123.592 122.820 -0.158 0.000 2.014 10 A HA -0.117 4.207 4.320 0.007 0.000 0.218 10 A C 2.091 179.664 177.584 -0.020 0.000 1.163 10 A CA 1.328 53.312 52.037 -0.088 0.000 0.652 10 A CB -0.113 18.886 19.000 -0.002 0.000 0.808 10 A HN 0.001 nan 8.150 nan 0.000 0.449 11 K N -0.038 120.341 120.400 -0.034 0.000 2.365 11 K HA 0.098 4.422 4.320 0.007 0.000 0.197 11 K C 1.741 178.321 176.600 -0.034 0.000 1.042 11 K CA 0.960 57.239 56.287 -0.013 0.000 0.987 11 K CB -0.064 32.419 32.500 -0.029 0.000 0.779 11 K HN 0.428 nan 8.250 nan 0.000 0.484 12 K N -0.080 120.279 120.400 -0.067 0.000 2.155 12 K HA -0.034 4.290 4.320 0.007 0.000 0.203 12 K C 1.688 178.260 176.600 -0.046 0.000 1.052 12 K CA 1.158 57.407 56.287 -0.063 0.000 0.948 12 K CB 0.126 32.570 32.500 -0.094 0.000 0.728 12 K HN 0.005 nan 8.250 nan 0.000 0.448 13 K N 0.556 120.927 120.400 -0.047 0.000 2.103 13 K HA -0.097 4.228 4.320 0.007 0.000 0.204 13 K C 1.514 178.108 176.600 -0.009 0.000 1.052 13 K CA 1.215 57.482 56.287 -0.033 0.000 0.945 13 K CB 0.069 32.541 32.500 -0.046 0.000 0.722 13 K HN 0.066 nan 8.250 nan 0.000 0.443 14 D N 1.277 121.685 120.400 0.014 0.000 2.133 14 D HA -0.187 4.458 4.640 0.007 0.000 0.195 14 D C 1.783 178.077 176.300 -0.010 0.000 0.997 14 D CA 1.238 55.252 54.000 0.022 0.000 0.840 14 D CB -0.192 40.627 40.800 0.033 0.000 0.947 14 D HN 0.376 nan 8.370 nan 0.000 0.452 15 I N -1.738 118.821 120.570 -0.018 0.000 2.916 15 I HA -0.101 4.073 4.170 0.007 0.000 0.267 15 I C 1.769 177.877 176.117 -0.017 0.000 1.263 15 I CA 0.724 62.011 61.300 -0.021 0.000 1.471 15 I CB -0.259 37.730 38.000 -0.020 0.000 1.089 15 I HN -0.099 nan 8.210 nan 0.000 0.468 16 L N 0.828 122.042 121.223 -0.015 0.000 2.313 16 L HA 0.017 4.361 4.340 0.007 0.000 0.214 16 L C 2.049 178.911 176.870 -0.013 0.000 1.119 16 L CA 0.953 55.785 54.840 -0.013 0.000 0.809 16 L CB -0.505 41.545 42.059 -0.014 0.000 0.933 16 L HN 0.303 nan 8.230 nan 0.000 0.449 17 E N 0.205 120.397 120.200 -0.014 0.000 2.489 17 E HA 0.140 4.494 4.350 0.007 0.000 0.193 17 E C 0.230 176.819 176.600 -0.018 0.000 1.057 17 E CA -0.025 56.366 56.400 -0.015 0.000 0.866 17 E CB 0.364 30.055 29.700 -0.015 0.000 0.916 17 E HN 0.442 nan 8.360 nan 0.000 0.500 18 I N 2.684 123.242 120.570 -0.019 0.000 2.304 18 I HA 0.063 4.237 4.170 0.007 0.000 0.291 18 I C -0.378 175.731 176.117 -0.014 0.000 1.018 18 I CA -0.546 60.742 61.300 -0.020 0.000 1.260 18 I CB 0.951 38.938 38.000 -0.023 0.000 1.390 18 I HN -0.148 nan 8.210 nan 0.000 0.475 19 D N 6.922 127.314 120.400 -0.013 0.000 2.494 19 D HA 0.094 4.738 4.640 0.007 0.000 0.217 19 D C 1.283 177.579 176.300 -0.007 0.000 1.153 19 D CA -0.097 53.897 54.000 -0.009 0.000 0.954 19 D CB 1.372 42.166 40.800 -0.009 0.000 1.034 19 D HN 0.776 nan 8.370 nan 0.000 0.518 20 G N 1.640 110.437 108.800 -0.005 0.000 2.498 20 G HA2 -0.247 3.717 3.960 0.007 0.000 0.219 20 G HA3 -0.247 3.717 3.960 0.007 0.000 0.219 20 G C 1.130 176.028 174.900 -0.002 0.000 1.119 20 G CA 0.216 45.315 45.100 -0.003 0.000 0.766 20 G HN 0.377 nan 8.290 nan 0.000 0.552 21 E N 0.054 120.252 120.200 -0.003 0.000 2.489 21 E HA 0.045 4.399 4.350 0.007 0.000 0.193 21 E C 0.508 177.107 176.600 -0.003 0.000 1.057 21 E CA -0.097 56.302 56.400 -0.002 0.000 0.866 21 E CB 0.258 29.956 29.700 -0.002 0.000 0.916 21 E HN 0.212 nan 8.360 nan 0.000 0.500 22 N N 0.440 119.137 118.700 -0.004 0.000 2.416 22 N HA 0.196 4.941 4.740 0.007 0.000 0.267 22 N C -1.086 174.420 175.510 -0.006 0.000 1.294 22 N CA 0.067 53.114 53.050 -0.005 0.000 0.891 22 N CB 0.745 39.229 38.487 -0.006 0.000 1.238 22 N HN 0.008 nan 8.380 nan 0.000 0.508 23 L N 1.001 122.221 121.223 -0.005 0.000 2.325 23 L HA 0.567 4.911 4.340 0.007 0.000 0.281 23 L C -0.291 176.575 176.870 -0.006 0.000 1.004 23 L CA -0.723 54.113 54.840 -0.006 0.000 0.823 23 L CB 1.928 43.983 42.059 -0.006 0.000 1.236 23 L HN -0.099 nan 8.230 nan 0.000 0.415 24 I N 4.347 124.913 120.570 -0.006 0.000 2.301 24 I HA 0.172 4.346 4.170 0.007 0.000 0.292 24 I C 0.476 176.587 176.117 -0.009 0.000 1.046 24 I CA -0.618 60.678 61.300 -0.007 0.000 1.282 24 I CB 1.165 39.161 38.000 -0.006 0.000 1.409 24 I HN 0.324 nan 8.210 nan 0.000 0.484 25 V N 3.493 123.401 119.914 -0.010 0.000 2.953 25 V HA 0.414 4.539 4.120 0.007 0.000 0.304 25 V C -0.099 175.985 176.094 -0.017 0.000 1.073 25 V CA -0.548 61.744 62.300 -0.014 0.000 1.064 25 V CB 0.969 32.782 31.823 -0.016 0.000 1.047 25 V HN 0.746 nan 8.190 nan 0.000 0.478 26 Q N 0.999 120.785 119.800 -0.023 0.000 2.351 26 Q HA 0.641 4.985 4.340 0.007 0.000 0.273 26 Q C -0.922 175.057 176.000 -0.034 0.000 1.077 26 Q CA -0.940 54.848 55.803 -0.025 0.000 0.843 26 Q CB 2.517 31.240 28.738 -0.025 0.000 1.367 26 Q HN 0.780 nan 8.270 nan 0.000 0.449 27 R N 1.141 121.622 120.500 -0.032 0.000 2.343 27 R HA 0.361 4.705 4.340 0.007 0.000 0.320 27 R C -0.871 175.402 176.300 -0.045 0.000 0.956 27 R CA -0.098 55.978 56.100 -0.039 0.000 0.836 27 R CB 0.777 31.063 30.300 -0.024 0.000 1.151 27 R HN 0.535 nan 8.270 nan 0.000 0.450 28 R N 2.202 122.658 120.500 -0.074 0.000 2.944 28 R HA 0.388 4.733 4.340 0.007 0.000 0.233 28 R C -0.325 175.924 176.300 -0.085 0.000 1.346 28 R CA -1.150 54.903 56.100 -0.078 0.000 1.082 28 R CB 0.664 30.905 30.300 -0.098 0.000 1.434 28 R HN 0.391 nan 8.270 nan 0.000 0.510 29 N N 0.387 119.054 118.700 -0.056 0.000 2.599 29 N HA 0.073 4.817 4.740 0.007 0.000 0.309 29 N C -1.072 174.492 175.510 0.090 0.000 1.743 29 N CA -0.075 52.987 53.050 0.019 0.000 0.918 29 N CB -0.177 38.336 38.487 0.044 0.000 1.339 29 N HN 0.597 nan 8.380 nan 0.000 0.493 30 H N 0.242 119.324 119.070 0.020 0.000 2.557 30 H HA -0.183 4.377 4.556 0.007 0.000 0.319 30 H C 0.886 176.250 175.328 0.060 0.000 1.102 30 H CA 0.430 56.502 56.048 0.040 0.000 1.126 30 H CB -0.293 29.485 29.762 0.028 0.000 1.498 30 H HN 0.446 nan 8.280 nan 0.000 0.411 31 R N -0.162 120.411 120.500 0.121 0.000 2.075 31 R HA -0.077 4.267 4.340 0.007 0.000 0.232 31 R C 2.202 178.597 176.300 0.158 0.000 1.126 31 R CA 1.198 57.367 56.100 0.116 0.000 0.963 31 R CB -0.549 29.802 30.300 0.086 0.000 0.858 31 R HN 0.405 nan 8.270 nan 0.000 0.435 32 F N 1.321 121.282 119.950 0.017 0.000 2.126 32 F HA -0.264 4.267 4.527 0.007 0.000 0.299 32 F C 2.202 178.020 175.800 0.031 0.000 1.096 32 F CA 1.206 59.216 58.000 0.015 0.000 1.255 32 F CB -0.097 38.902 39.000 -0.002 0.000 0.997 32 F HN -0.020 nan 8.300 nan 0.000 0.479 33 L N 0.493 121.793 121.223 0.128 0.000 2.109 33 L HA -0.145 4.200 4.340 0.007 0.000 0.207 33 L C 2.256 179.117 176.870 -0.014 0.000 1.086 33 L CA 1.860 56.717 54.840 0.027 0.000 0.760 33 L CB -1.063 41.065 42.059 0.115 0.000 0.910 33 L HN 0.217 nan 8.230 nan 0.000 0.437 34 E N -0.581 119.636 120.200 0.029 0.000 2.077 34 E HA -0.173 4.181 4.350 0.007 0.000 0.193 34 E C 2.097 178.685 176.600 -0.020 0.000 0.989 34 E CA 1.644 58.050 56.400 0.011 0.000 0.800 34 E CB 0.018 29.739 29.700 0.036 0.000 0.746 34 E HN 0.440 nan 8.360 nan 0.000 0.452 35 V N 1.009 120.903 119.914 -0.034 0.000 2.427 35 V HA -0.225 3.899 4.120 0.007 0.000 0.248 35 V C 2.168 178.205 176.094 -0.094 0.000 1.051 35 V CA 1.004 63.273 62.300 -0.051 0.000 1.048 35 V CB -0.229 31.571 31.823 -0.039 0.000 0.666 35 V HN 0.238 nan 8.190 nan 0.000 0.456 36 L N -0.276 120.850 121.223 -0.161 0.000 2.554 36 L HA 0.147 4.491 4.340 0.007 0.000 0.226 36 L C 1.338 178.145 176.870 -0.105 0.000 1.137 36 L CA 0.715 55.449 54.840 -0.178 0.000 0.863 36 L CB -0.870 41.005 42.059 -0.307 0.000 0.985 36 L HN 0.156 nan 8.230 nan 0.000 0.451 37 S N 0.054 115.711 115.700 -0.073 0.000 2.558 37 S HA 0.411 4.885 4.470 0.007 0.000 0.293 37 S C 0.745 175.326 174.600 -0.032 0.000 1.292 37 S CA 0.510 58.684 58.200 -0.044 0.000 1.063 37 S CB -0.145 63.038 63.200 -0.028 0.000 0.831 37 S HN 0.651 nan 8.310 nan 0.000 0.499 38 G N 2.649 111.435 108.800 -0.023 0.000 2.746 38 G HA2 -0.159 3.806 3.960 0.007 0.000 0.685 38 G HA3 -0.159 3.806 3.960 0.007 0.000 0.685 38 G C -0.348 174.546 174.900 -0.011 0.000 1.350 38 G CA -0.490 44.602 45.100 -0.014 0.000 0.837 38 G HN 0.631 nan 8.290 nan 0.000 0.564 39 K N -0.201 120.198 120.400 -0.002 0.000 2.564 39 K HA 0.208 4.532 4.320 0.007 0.000 0.205 39 K C 1.203 177.809 176.600 0.010 0.000 1.053 39 K CA 0.232 56.522 56.287 0.005 0.000 1.072 39 K CB 0.703 33.209 32.500 0.011 0.000 0.822 39 K HN 0.487 nan 8.250 nan 0.000 0.497 40 E N 1.046 121.249 120.200 0.006 0.000 2.358 40 E HA -0.052 4.302 4.350 0.007 0.000 0.195 40 E C 0.401 177.009 176.600 0.013 0.000 1.010 40 E CA 0.598 57.003 56.400 0.010 0.000 0.856 40 E CB 0.204 29.907 29.700 0.005 0.000 0.795 40 E HN 0.104 nan 8.360 nan 0.000 0.504 41 R N -0.265 120.241 120.500 0.011 0.000 2.680 41 R HA 0.337 4.681 4.340 0.007 0.000 0.269 41 R C -1.701 174.606 176.300 0.012 0.000 1.026 41 R CA -0.612 55.497 56.100 0.015 0.000 0.889 41 R CB 1.369 31.674 30.300 0.008 0.000 1.241 41 R HN -0.087 nan 8.270 nan 0.000 0.463 42 V N 3.929 123.856 119.914 0.022 0.000 2.389 42 V HA 0.236 4.360 4.120 0.007 0.000 0.264 42 V C 0.097 176.195 176.094 0.008 0.000 1.049 42 V CA -0.374 61.937 62.300 0.017 0.000 0.932 42 V CB 0.871 32.714 31.823 0.035 0.000 1.011 42 V HN 0.661 nan 8.190 nan 0.000 0.475 43 K N 4.429 124.823 120.400 -0.011 0.000 2.202 43 K HA 0.547 4.872 4.320 0.007 0.000 0.264 43 K C -0.475 176.116 176.600 -0.014 0.000 1.010 43 K CA -0.102 56.174 56.287 -0.019 0.000 0.940 43 K CB 1.014 33.487 32.500 -0.044 0.000 0.983 43 K HN 0.546 nan 8.250 nan 0.000 0.475 44 I N 3.778 124.342 120.570 -0.009 0.000 2.354 44 I HA 0.291 4.465 4.170 0.007 0.000 0.292 44 I C -0.391 175.716 176.117 -0.016 0.000 0.989 44 I CA -0.471 60.826 61.300 -0.005 0.000 1.188 44 I CB 1.003 39.004 38.000 0.001 0.000 1.342 44 I HN 0.342 nan 8.210 nan 0.000 0.457 45 I N 6.180 126.744 120.570 -0.010 0.000 2.359 45 I HA 0.450 4.624 4.170 0.007 0.000 0.284 45 I C 0.264 176.352 176.117 -0.049 0.000 1.018 45 I CA -0.444 60.859 61.300 0.005 0.000 1.173 45 I CB 1.412 39.448 38.000 0.061 0.000 1.326 45 I HN 0.589 nan 8.210 nan 0.000 0.462 46 A N 5.832 128.550 122.820 -0.170 0.000 2.301 46 A HA 0.462 4.786 4.320 0.007 0.000 0.298 46 A C -0.203 177.259 177.584 -0.204 0.000 1.185 46 A CA -0.363 51.431 52.037 -0.405 0.000 0.830 46 A CB 0.677 18.986 19.000 -1.152 0.000 1.112 46 A HN 0.771 nan 8.150 nan 0.000 0.508 47 E N 1.919 122.114 120.200 -0.009 0.000 2.179 47 E HA 0.516 4.870 4.350 0.007 0.000 0.275 47 E C -1.678 175.139 176.600 0.360 0.000 0.945 47 E CA -0.513 55.996 56.400 0.181 0.000 0.792 47 E CB 0.963 30.719 29.700 0.093 0.000 1.125 47 E HN 0.513 nan 8.360 nan 0.000 0.397 48 F N 5.007 125.087 119.950 0.217 0.000 2.388 48 F HA 0.381 4.912 4.527 0.008 0.000 0.358 48 F C -1.066 174.757 175.800 0.039 0.000 1.122 48 F CA -0.492 57.561 58.000 0.088 0.000 1.056 48 F CB 0.515 39.543 39.000 0.048 0.000 1.155 48 F HN 0.342 nan 8.300 nan 0.000 0.461 49 K N 4.582 124.675 120.400 -0.511 0.000 2.588 49 K HA 0.373 4.697 4.320 0.007 0.000 0.250 49 K C -0.692 175.657 176.600 -0.419 0.000 0.972 49 K CA -0.899 55.196 56.287 -0.320 0.000 0.821 49 K CB 1.945 34.445 32.500 0.001 0.000 1.249 49 K HN 0.503 nan 8.250 nan 0.000 0.442 50 K N 0.879 121.062 120.400 -0.362 0.000 2.228 50 K HA 0.100 4.424 4.320 0.007 0.000 0.202 50 K C 0.349 176.879 176.600 -0.117 0.000 1.051 50 K CA 1.082 57.210 56.287 -0.265 0.000 0.960 50 K CB 0.342 32.746 32.500 -0.160 0.000 0.743 50 K HN 0.670 nan 8.250 nan 0.000 0.458 51 A N 0.434 123.233 122.820 -0.035 0.000 2.602 51 A HA 0.643 4.968 4.320 0.007 0.000 0.290 51 A C -1.237 176.319 177.584 -0.046 0.000 1.114 51 A CA -0.593 51.417 52.037 -0.045 0.000 0.683 51 A CB 1.748 20.712 19.000 -0.060 0.000 1.281 51 A HN 0.033 nan 8.150 nan 0.000 0.416 52 S N -0.378 115.197 115.700 -0.209 0.000 2.565 52 S HA 0.728 5.202 4.470 0.007 0.000 0.269 52 S C -2.610 171.690 174.600 -0.500 0.000 1.153 52 S CA -0.545 57.359 58.200 -0.494 0.000 0.835 52 S CB 1.800 64.902 63.200 -0.163 0.000 1.122 52 S HN 0.387 nan 8.310 nan 0.000 0.462 53 P HA -0.055 nan 4.420 nan 0.000 0.217 53 P C 1.674 178.590 177.300 -0.641 0.000 1.150 53 P CA 1.507 64.255 63.100 -0.587 0.000 0.832 53 P CB -0.167 31.121 31.700 -0.687 0.000 0.787 54 S N -0.549 114.627 115.700 -0.873 0.000 2.377 54 S HA -0.184 4.291 4.470 0.007 0.000 0.224 54 S C 1.793 176.225 174.600 -0.279 0.000 1.042 54 S CA 2.111 59.946 58.200 -0.608 0.000 1.086 54 S CB -0.787 62.205 63.200 -0.348 0.000 0.995 54 S HN 0.218 nan 8.310 nan 0.000 0.428 55 A N -0.784 121.912 122.820 -0.205 0.000 2.283 55 A HA 0.721 5.045 4.320 0.007 0.000 0.225 55 A C 1.330 178.831 177.584 -0.138 0.000 2.109 55 A CA 0.912 52.872 52.037 -0.127 0.000 0.889 55 A CB -0.684 18.268 19.000 -0.080 0.000 1.437 55 A HN 1.108 nan 8.150 nan 0.000 0.595 56 G N -1.029 107.693 108.800 -0.131 0.000 2.520 56 G HA2 0.238 4.202 3.960 0.007 0.000 0.067 56 G HA3 0.238 4.202 3.960 0.007 0.000 0.067 56 G C -1.779 173.062 174.900 -0.097 0.000 0.977 56 G CA -0.002 45.025 45.100 -0.122 0.000 1.152 56 G HN 0.194 nan 8.290 nan 0.000 0.479 57 D N 1.430 121.786 120.400 -0.074 0.000 2.426 57 D HA 0.312 4.956 4.640 0.007 0.000 0.261 57 D C 1.313 177.577 176.300 -0.059 0.000 1.245 57 D CA 0.238 54.201 54.000 -0.061 0.000 0.917 57 D CB 1.033 41.805 40.800 -0.046 0.000 1.123 57 D HN 0.310 nan 8.370 nan 0.000 0.508 58 I N 1.840 122.369 120.570 -0.069 0.000 2.681 58 I HA -0.043 4.131 4.170 0.007 0.000 0.247 58 I C 0.953 177.028 176.117 -0.069 0.000 1.091 58 I CA 0.332 61.592 61.300 -0.068 0.000 1.442 58 I CB 0.235 38.187 38.000 -0.080 0.000 1.219 58 I HN 0.186 nan 8.210 nan 0.000 0.451 59 N N 0.497 119.137 118.700 -0.099 0.000 2.710 59 N HA 0.302 5.046 4.740 0.007 0.000 0.244 59 N C 0.201 175.658 175.510 -0.090 0.000 1.321 59 N CA 0.064 53.062 53.050 -0.086 0.000 0.758 59 N CB 1.442 39.860 38.487 -0.115 0.000 1.284 59 N HN 0.146 nan 8.380 nan 0.000 0.530 60 A N 1.313 124.104 122.820 -0.048 0.000 1.972 60 A HA -0.084 4.240 4.320 0.007 0.000 0.219 60 A C 1.051 178.631 177.584 -0.006 0.000 1.169 60 A CA 1.348 53.367 52.037 -0.029 0.000 0.635 60 A CB 0.053 19.043 19.000 -0.017 0.000 0.810 60 A HN 0.519 nan 8.150 nan 0.000 0.446 61 D N -0.192 120.214 120.400 0.009 0.000 2.340 61 D HA 0.339 4.983 4.640 0.007 0.000 0.217 61 D C 0.620 176.959 176.300 0.066 0.000 1.081 61 D CA 0.562 54.582 54.000 0.034 0.000 0.842 61 D CB -0.079 40.742 40.800 0.036 0.000 0.934 61 D HN 0.411 nan 8.370 nan 0.000 0.511 62 A N 1.052 123.909 122.820 0.062 0.000 2.546 62 A HA 0.213 4.537 4.320 0.007 0.000 0.243 62 A C 0.769 178.486 177.584 0.223 0.000 1.063 62 A CA 0.024 52.157 52.037 0.161 0.000 0.757 62 A CB 0.202 19.169 19.000 -0.055 0.000 0.991 62 A HN 0.103 nan 8.150 nan 0.000 0.503 63 S N 2.535 118.410 115.700 0.292 0.000 2.513 63 S HA 0.323 4.798 4.470 0.007 0.000 0.276 63 S C 0.957 175.652 174.600 0.158 0.000 1.254 63 S CA -0.333 57.963 58.200 0.160 0.000 1.053 63 S CB 0.606 63.856 63.200 0.083 0.000 0.958 63 S HN 1.481 nan 8.310 nan 0.000 0.491 64 L N 3.949 125.086 121.223 -0.143 0.000 2.156 64 L HA 0.250 4.595 4.340 0.007 0.000 0.208 64 L C 2.028 178.675 176.870 -0.372 0.000 1.095 64 L CA 1.747 56.224 54.840 -0.606 0.000 0.770 64 L CB -1.579 39.913 42.059 -0.945 0.000 0.914 64 L HN 0.886 nan 8.230 nan 0.000 0.439 65 E N -0.169 119.903 120.200 -0.213 0.000 2.077 65 E HA -0.227 4.127 4.350 0.007 0.000 0.193 65 E C 1.665 178.189 176.600 -0.127 0.000 0.989 65 E CA 1.376 57.682 56.400 -0.155 0.000 0.800 65 E CB 0.047 29.683 29.700 -0.107 0.000 0.746 65 E HN 0.593 nan 8.360 nan 0.000 0.452 66 D N -0.347 119.998 120.400 -0.092 0.000 2.117 66 D HA -0.141 4.504 4.640 0.007 0.000 0.198 66 D C 1.696 177.863 176.300 -0.221 0.000 0.982 66 D CA 0.880 54.799 54.000 -0.134 0.000 0.828 66 D CB -0.312 40.409 40.800 -0.132 0.000 0.967 66 D HN 0.198 nan 8.370 nan 0.000 0.464 67 F N 0.792 120.592 119.950 -0.251 0.000 2.146 67 F HA -0.106 4.425 4.527 0.006 0.000 0.298 67 F C 2.351 177.769 175.800 -0.637 0.000 1.096 67 F CA 0.456 58.194 58.000 -0.436 0.000 1.275 67 F CB -0.121 38.668 39.000 -0.352 0.000 1.008 67 F HN -0.076 nan 8.300 nan 0.000 0.480 68 I N 0.794 121.179 120.570 -0.308 0.000 2.226 68 I HA -0.248 3.926 4.170 0.007 0.000 0.245 68 I C 2.474 178.545 176.117 -0.077 0.000 1.100 68 I CA 1.488 62.666 61.300 -0.205 0.000 1.374 68 I CB -1.317 36.574 38.000 -0.181 0.000 1.057 68 I HN 0.231 nan 8.210 nan 0.000 0.413 69 R N 0.899 121.345 120.500 -0.090 0.000 2.148 69 R HA -0.122 4.222 4.340 0.007 0.000 0.227 69 R C 2.158 178.451 176.300 -0.012 0.000 1.103 69 R CA 1.169 57.244 56.100 -0.041 0.000 0.983 69 R CB -0.566 29.703 30.300 -0.053 0.000 0.874 69 R HN 0.281 nan 8.270 nan 0.000 0.451 70 M N 0.264 119.838 119.600 -0.043 0.000 2.156 70 M HA -0.076 4.409 4.480 0.007 0.000 0.264 70 M C 1.472 177.889 176.300 0.196 0.000 1.067 70 M CA 1.577 56.889 55.300 0.019 0.000 1.131 70 M CB -0.057 32.501 32.600 -0.071 0.000 1.368 70 M HN 0.224 nan 8.290 nan 0.000 0.416 71 Y N -0.326 120.011 120.300 0.062 0.000 2.293 71 Y HA -0.272 4.282 4.550 0.007 0.000 0.291 71 Y C 2.070 178.005 175.900 0.058 0.000 1.137 71 Y CA 0.904 59.056 58.100 0.087 0.000 1.202 71 Y CB -0.261 38.270 38.460 0.117 0.000 0.990 71 Y HN 0.423 nan 8.280 nan 0.000 0.537 72 D N 0.356 120.875 120.400 0.199 0.000 2.178 72 D HA -0.186 4.458 4.640 0.007 0.000 0.202 72 D C 1.962 178.313 176.300 0.085 0.000 0.974 72 D CA 1.144 55.212 54.000 0.114 0.000 0.841 72 D CB 0.022 40.863 40.800 0.067 0.000 0.953 72 D HN 0.330 nan 8.370 nan 0.000 0.478 73 E N -0.800 119.450 120.200 0.083 0.000 2.086 73 E HA -0.020 4.335 4.350 0.007 0.000 0.190 73 E C 1.778 178.414 176.600 0.061 0.000 0.975 73 E CA 0.506 56.941 56.400 0.058 0.000 0.813 73 E CB 0.172 29.898 29.700 0.044 0.000 0.768 73 E HN 0.352 nan 8.360 nan 0.000 0.457 74 L N -0.117 121.159 121.223 0.088 0.000 2.638 74 L HA 0.359 4.703 4.340 0.007 0.000 0.232 74 L C 0.697 177.603 176.870 0.060 0.000 1.099 74 L CA -0.228 54.657 54.840 0.075 0.000 0.883 74 L CB 0.801 42.916 42.059 0.093 0.000 1.136 74 L HN -0.018 nan 8.230 nan 0.000 0.492 75 A N -0.675 122.185 122.820 0.067 0.000 2.330 75 A HA 0.359 4.683 4.320 0.007 0.000 0.329 75 A C 0.129 177.733 177.584 0.033 0.000 1.135 75 A CA -0.515 51.537 52.037 0.024 0.000 0.817 75 A CB 0.894 19.866 19.000 -0.046 0.000 1.269 75 A HN 0.051 nan 8.150 nan 0.000 0.469 76 D N 0.023 120.432 120.400 0.016 0.000 2.213 76 D HA 0.275 4.919 4.640 0.007 0.000 0.205 76 D C 0.670 176.992 176.300 0.036 0.000 0.961 76 D CA 1.725 55.735 54.000 0.017 0.000 0.853 76 D CB 0.417 41.213 40.800 -0.006 0.000 0.967 76 D HN 0.688 nan 8.370 nan 0.000 0.496 77 A N 0.094 122.945 122.820 0.051 0.000 2.609 77 A HA 0.649 4.973 4.320 0.007 0.000 0.291 77 A C -1.462 176.192 177.584 0.116 0.000 1.096 77 A CA -0.589 51.516 52.037 0.114 0.000 0.684 77 A CB 1.392 20.487 19.000 0.158 0.000 1.282 77 A HN -0.002 nan 8.150 nan 0.000 0.412 78 I N 0.576 121.240 120.570 0.157 0.000 2.569 78 I HA 0.558 4.732 4.170 0.007 0.000 0.296 78 I C 0.110 176.317 176.117 0.149 0.000 1.028 78 I CA -0.580 60.817 61.300 0.161 0.000 1.082 78 I CB 2.325 40.451 38.000 0.210 0.000 1.264 78 I HN 0.517 nan 8.210 nan 0.000 0.429 79 S N 6.398 122.190 115.700 0.153 0.000 2.478 79 S HA 0.708 5.182 4.470 0.007 0.000 0.312 79 S C -0.855 173.847 174.600 0.171 0.000 1.094 79 S CA -0.451 57.820 58.200 0.118 0.000 1.081 79 S CB 0.536 63.788 63.200 0.087 0.000 1.007 79 S HN 0.428 nan 8.310 nan 0.000 0.475 80 I N 5.125 125.776 120.570 0.135 0.000 2.418 80 I HA 0.325 4.500 4.170 0.007 0.000 0.287 80 I C -0.598 175.596 176.117 0.128 0.000 1.008 80 I CA -0.855 60.564 61.300 0.199 0.000 1.104 80 I CB 1.628 39.746 38.000 0.196 0.000 1.264 80 I HN 0.372 nan 8.210 nan 0.000 0.438 81 L N 5.920 127.220 121.223 0.129 0.000 2.410 81 L HA 0.151 4.495 4.340 0.007 0.000 0.273 81 L C 1.324 178.218 176.870 0.039 0.000 1.144 81 L CA 0.728 55.571 54.840 0.005 0.000 0.863 81 L CB 1.018 43.046 42.059 -0.052 0.000 1.140 81 L HN 0.756 nan 8.230 nan 0.000 0.463 82 T N -1.369 113.167 114.554 -0.031 0.000 3.044 82 T HA 0.123 4.478 4.350 0.007 0.000 0.260 82 T C 0.561 175.206 174.700 -0.091 0.000 1.019 82 T CA -0.411 61.640 62.100 -0.081 0.000 0.921 82 T CB 0.417 69.236 68.868 -0.081 0.000 1.053 82 T HN 0.411 nan 8.240 nan 0.000 0.533 83 E N 1.878 122.072 120.200 -0.010 0.000 2.316 83 E HA 0.215 4.570 4.350 0.007 0.000 0.275 83 E C 0.488 177.110 176.600 0.036 0.000 1.029 83 E CA -0.001 56.445 56.400 0.077 0.000 0.871 83 E CB 1.430 31.321 29.700 0.318 0.000 1.022 83 E HN 0.337 nan 8.360 nan 0.000 0.418 84 K N 3.500 123.813 120.400 -0.145 0.000 2.128 84 K HA -0.023 4.302 4.320 0.007 0.000 0.202 84 K C 1.740 178.175 176.600 -0.273 0.000 1.050 84 K CA 0.433 56.557 56.287 -0.272 0.000 0.966 84 K CB 0.136 32.363 32.500 -0.454 0.000 0.759 84 K HN 0.521 nan 8.250 nan 0.000 0.454 85 H N -1.408 117.586 119.070 -0.127 0.000 2.395 85 H HA -0.059 4.502 4.556 0.007 0.000 0.299 85 H C 1.282 176.287 175.328 -0.538 0.000 1.070 85 H CA 1.316 57.132 56.048 -0.387 0.000 1.356 85 H CB 0.068 29.455 29.762 -0.625 0.000 1.401 85 H HN 0.272 nan 8.280 nan 0.000 0.524 86 Y N -1.512 118.817 120.300 0.049 0.000 2.558 86 Y HA 0.108 4.662 4.550 0.007 0.000 0.273 86 Y C 1.651 177.366 175.900 -0.308 0.000 1.100 86 Y CA -0.026 57.980 58.100 -0.156 0.000 1.276 86 Y CB 0.059 38.370 38.460 -0.249 0.000 1.196 86 Y HN -0.049 nan 8.280 nan 0.000 0.527 87 F N -0.014 120.018 119.950 0.136 0.000 2.731 87 F HA 0.212 4.743 4.527 0.007 0.000 0.298 87 F C 0.710 176.524 175.800 0.022 0.000 1.106 87 F CA -0.025 58.022 58.000 0.079 0.000 1.329 87 F CB 0.118 39.186 39.000 0.114 0.000 1.100 87 F HN -0.277 nan 8.300 nan 0.000 0.592 88 K N 0.323 120.801 120.400 0.130 0.000 3.192 88 K HA -0.148 4.176 4.320 0.007 0.000 0.278 88 K C 0.529 177.178 176.600 0.082 0.000 1.164 88 K CA 0.247 56.570 56.287 0.059 0.000 0.816 88 K CB -1.800 30.728 32.500 0.048 0.000 1.256 88 K HN 0.459 nan 8.250 nan 0.000 0.497 89 G N 0.078 108.897 108.800 0.032 0.000 2.642 89 G HA2 0.565 4.530 3.960 0.007 0.000 0.291 89 G HA3 0.565 4.530 3.960 0.007 0.000 0.291 89 G C -1.070 173.540 174.900 -0.484 0.000 1.345 89 G CA -0.100 44.926 45.100 -0.125 0.000 1.043 89 G HN 0.182 nan 8.290 nan 0.000 0.528 90 D N -1.775 118.125 120.400 -0.834 0.000 2.706 90 D HA 0.209 4.853 4.640 0.007 0.000 0.225 90 D C -2.238 173.786 176.300 -0.459 0.000 1.241 90 D CA -1.067 52.536 54.000 -0.662 0.000 0.784 90 D CB 2.441 42.762 40.800 -0.797 0.000 1.521 90 D HN -0.025 nan 8.370 nan 0.000 0.461 91 P HA 0.002 nan 4.420 nan 0.000 0.222 91 P C 0.935 178.202 177.300 -0.054 0.000 1.147 91 P CA 1.067 64.097 63.100 -0.116 0.000 0.790 91 P CB 0.235 31.880 31.700 -0.091 0.000 0.780 92 A N -1.341 121.439 122.820 -0.067 0.000 2.015 92 A HA -0.148 4.177 4.320 0.007 0.000 0.219 92 A C 2.008 179.704 177.584 0.186 0.000 1.163 92 A CA 1.014 53.077 52.037 0.044 0.000 0.646 92 A CB -1.715 17.317 19.000 0.052 0.000 0.806 92 A HN 0.161 nan 8.150 nan 0.000 0.448 93 F N -0.375 119.571 119.950 -0.007 0.000 2.161 93 F HA -0.211 4.320 4.527 0.007 0.000 0.300 93 F C 2.303 178.083 175.800 -0.033 0.000 1.089 93 F CA 0.864 58.853 58.000 -0.018 0.000 1.282 93 F CB -0.112 38.900 39.000 0.019 0.000 1.010 93 F HN 0.077 nan 8.300 nan 0.000 0.485 94 V N -0.050 119.966 119.914 0.170 0.000 2.453 94 V HA -0.245 3.880 4.120 0.007 0.000 0.247 94 V C 2.277 178.401 176.094 0.050 0.000 1.048 94 V CA 1.575 63.925 62.300 0.083 0.000 1.049 94 V CB -0.601 31.253 31.823 0.052 0.000 0.672 94 V HN 0.239 nan 8.190 nan 0.000 0.457 95 R N 0.223 120.754 120.500 0.053 0.000 2.073 95 R HA -0.139 4.205 4.340 0.007 0.000 0.234 95 R C 2.337 178.652 176.300 0.025 0.000 1.134 95 R CA 1.620 57.739 56.100 0.031 0.000 0.952 95 R CB -0.447 29.870 30.300 0.029 0.000 0.850 95 R HN 0.485 nan 8.270 nan 0.000 0.433 96 A N 0.423 123.265 122.820 0.037 0.000 1.902 96 A HA -0.096 4.229 4.320 0.007 0.000 0.217 96 A C 2.251 179.817 177.584 -0.029 0.000 1.181 96 A CA 1.717 53.756 52.037 0.004 0.000 0.623 96 A CB -0.650 18.350 19.000 -0.001 0.000 0.818 96 A HN 0.518 nan 8.150 nan 0.000 0.443 97 A N -0.653 122.148 122.820 -0.032 0.000 2.016 97 A HA 0.015 4.339 4.320 0.007 0.000 0.217 97 A C 2.070 179.643 177.584 -0.018 0.000 1.162 97 A CA 1.613 53.620 52.037 -0.050 0.000 0.662 97 A CB -0.369 18.594 19.000 -0.062 0.000 0.812 97 A HN 0.403 nan 8.150 nan 0.000 0.450 98 R N 1.272 121.770 120.500 -0.003 0.000 2.127 98 R HA -0.103 4.241 4.340 0.007 0.000 0.238 98 R C 1.345 177.645 176.300 -0.000 0.000 1.134 98 R CA 2.217 58.319 56.100 0.003 0.000 0.975 98 R CB -1.156 29.147 30.300 0.005 0.000 0.865 98 R HN 0.721 nan 8.270 nan 0.000 0.447 99 N N -0.817 117.879 118.700 -0.006 0.000 2.446 99 N HA -0.051 4.693 4.740 0.007 0.000 0.179 99 N C 0.393 175.898 175.510 -0.010 0.000 1.054 99 N CA 0.255 53.300 53.050 -0.007 0.000 0.905 99 N CB 0.130 38.612 38.487 -0.009 0.000 0.973 99 N HN 0.075 nan 8.380 nan 0.000 0.448 100 L N -0.112 121.102 121.223 -0.015 0.000 2.509 100 L HA 0.154 4.499 4.340 0.007 0.000 0.222 100 L C 0.807 177.675 176.870 -0.003 0.000 1.123 100 L CA 0.943 55.773 54.840 -0.018 0.000 0.856 100 L CB -0.109 41.928 42.059 -0.037 0.000 0.985 100 L HN -0.068 nan 8.230 nan 0.000 0.456 101 T N -3.250 111.308 114.554 0.007 0.000 2.889 101 T HA 0.179 4.534 4.350 0.007 0.000 0.315 101 T C -0.180 174.535 174.700 0.025 0.000 1.291 101 T CA -0.463 61.651 62.100 0.022 0.000 1.028 101 T CB 1.285 70.177 68.868 0.040 0.000 1.235 101 T HN -0.095 nan 8.240 nan 0.000 0.491 102 C N 3.865 123.183 119.300 0.029 0.000 2.974 102 C HA 0.439 4.904 4.460 0.007 0.000 0.282 102 C C 0.864 175.878 174.990 0.041 0.000 1.292 102 C CA -0.472 58.563 59.018 0.029 0.000 1.710 102 C CB -1.544 26.210 27.740 0.023 0.000 2.036 102 C HN 0.678 nan 8.230 nan 0.000 0.629 103 R N 1.879 122.410 120.500 0.053 0.000 2.539 103 R HA 0.288 4.633 4.340 0.007 0.000 0.275 103 R C -2.546 173.806 176.300 0.086 0.000 1.077 103 R CA -1.177 54.964 56.100 0.069 0.000 1.097 103 R CB -0.176 30.172 30.300 0.079 0.000 1.018 103 R HN 0.205 nan 8.270 nan 0.000 0.483 104 P HA 0.016 nan 4.420 nan 0.000 0.264 104 P C -0.503 176.885 177.300 0.147 0.000 1.193 104 P CA 0.563 63.757 63.100 0.156 0.000 0.763 104 P CB 0.409 32.276 31.700 0.278 0.000 0.810 105 I N 3.472 124.076 120.570 0.056 0.000 2.378 105 I HA 0.302 4.476 4.170 0.007 0.000 0.291 105 I C -0.098 175.945 176.117 -0.124 0.000 0.992 105 I CA -1.082 60.225 61.300 0.010 0.000 1.154 105 I CB 1.609 39.619 38.000 0.016 0.000 1.315 105 I HN 0.176 nan 8.210 nan 0.000 0.448 106 L N 6.886 128.023 121.223 -0.143 0.000 2.264 106 L HA 0.646 4.991 4.340 0.007 0.000 0.289 106 L C 0.149 176.955 176.870 -0.107 0.000 1.044 106 L CA 0.025 54.704 54.840 -0.267 0.000 0.807 106 L CB 1.259 43.142 42.059 -0.294 0.000 1.192 106 L HN 0.684 nan 8.230 nan 0.000 0.425 107 A N 4.793 127.557 122.820 -0.093 0.000 2.798 107 A HA 0.333 4.657 4.320 0.007 0.000 0.316 107 A C 0.104 177.726 177.584 0.064 0.000 1.506 107 A CA -0.577 51.466 52.037 0.010 0.000 1.162 107 A CB -0.490 18.541 19.000 0.052 0.000 1.138 107 A HN 0.694 nan 8.150 nan 0.000 0.532 108 K N 1.975 122.378 120.400 0.006 0.000 2.402 108 K HA 0.282 4.606 4.320 0.007 0.000 0.285 108 K C -0.633 175.935 176.600 -0.055 0.000 1.054 108 K CA 0.464 56.728 56.287 -0.039 0.000 1.001 108 K CB 0.122 32.553 32.500 -0.115 0.000 0.946 108 K HN 0.735 nan 8.250 nan 0.000 0.473 109 D N 2.692 123.095 120.400 0.005 0.000 2.713 109 D HA 0.227 4.871 4.640 0.007 0.000 0.306 109 D C -1.366 174.850 176.300 -0.139 0.000 1.299 109 D CA -0.623 53.311 54.000 -0.110 0.000 0.823 109 D CB 0.528 41.155 40.800 -0.288 0.000 1.353 109 D HN 0.223 nan 8.370 nan 0.000 0.447 110 F N 1.811 121.687 119.950 -0.123 0.000 2.334 110 F HA 0.323 4.854 4.527 0.006 0.000 0.365 110 F C -0.125 175.614 175.800 -0.102 0.000 1.124 110 F CA -0.443 57.541 58.000 -0.027 0.000 1.166 110 F CB 0.046 39.045 39.000 -0.002 0.000 1.355 110 F HN 0.035 nan 8.300 nan 0.000 0.532 111 Y N 4.123 124.464 120.300 0.069 0.000 2.436 111 Y HA 0.256 4.810 4.550 0.007 0.000 0.343 111 Y C 1.317 177.246 175.900 0.049 0.000 1.008 111 Y CA -0.482 57.642 58.100 0.041 0.000 1.241 111 Y CB 0.531 38.988 38.460 -0.006 0.000 1.153 111 Y HN 0.560 nan 8.280 nan 0.000 0.521 112 I N -2.159 118.495 120.570 0.139 0.000 4.439 112 I HA 0.401 4.575 4.170 0.007 0.000 0.331 112 I C -0.258 175.903 176.117 0.073 0.000 1.345 112 I CA 0.026 61.383 61.300 0.096 0.000 1.193 112 I CB 1.085 39.121 38.000 0.060 0.000 1.221 112 I HN 0.359 nan 8.210 nan 0.000 0.429 113 D N 1.670 122.116 120.400 0.077 0.000 2.857 113 D HA 0.146 4.791 4.640 0.007 0.000 0.227 113 D C 0.820 177.165 176.300 0.075 0.000 1.192 113 D CA 0.247 54.281 54.000 0.057 0.000 0.857 113 D CB 2.584 43.402 40.800 0.029 0.000 1.645 113 D HN 0.119 nan 8.370 nan 0.000 0.482 114 T N -0.210 114.380 114.554 0.059 0.000 2.897 114 T HA -0.138 4.216 4.350 0.007 0.000 0.271 114 T C 1.915 176.645 174.700 0.050 0.000 1.084 114 T CA 1.125 63.259 62.100 0.056 0.000 1.123 114 T CB -0.217 68.672 68.868 0.036 0.000 0.865 114 T HN 0.206 nan 8.240 nan 0.000 0.496 115 V N 1.504 121.440 119.914 0.037 0.000 2.392 115 V HA -0.222 3.902 4.120 0.007 0.000 0.249 115 V C 2.670 178.783 176.094 0.032 0.000 1.059 115 V CA 2.113 64.428 62.300 0.024 0.000 1.051 115 V CB -0.671 31.158 31.823 0.010 0.000 0.658 115 V HN 0.582 nan 8.190 nan 0.000 0.455 116 Q N -0.745 119.083 119.800 0.047 0.000 2.291 116 Q HA -0.150 4.194 4.340 0.007 0.000 0.206 116 Q C 2.192 178.294 176.000 0.170 0.000 0.976 116 Q CA 1.804 57.638 55.803 0.052 0.000 0.875 116 Q CB -0.216 28.508 28.738 -0.024 0.000 0.927 116 Q HN 0.756 nan 8.270 nan 0.000 0.450 117 V N -1.122 118.890 119.914 0.163 0.000 2.951 117 V HA -0.114 4.011 4.120 0.007 0.000 0.255 117 V C 1.646 177.767 176.094 0.045 0.000 1.088 117 V CA 1.166 63.534 62.300 0.113 0.000 1.109 117 V CB -0.135 31.702 31.823 0.024 0.000 0.724 117 V HN 0.177 nan 8.190 nan 0.000 0.471 118 K N 0.056 120.476 120.400 0.034 0.000 2.062 118 K HA -0.017 4.307 4.320 0.007 0.000 0.205 118 K C 2.131 178.737 176.600 0.010 0.000 1.051 118 K CA 1.533 57.826 56.287 0.011 0.000 0.941 118 K CB -0.439 32.065 32.500 0.007 0.000 0.719 118 K HN 0.478 nan 8.250 nan 0.000 0.440 119 L N 1.588 122.821 121.223 0.016 0.000 2.042 119 L HA -0.145 4.199 4.340 0.007 0.000 0.210 119 L C 2.249 179.126 176.870 0.011 0.000 1.076 119 L CA 1.894 56.737 54.840 0.005 0.000 0.749 119 L CB -0.734 41.319 42.059 -0.009 0.000 0.893 119 L HN 0.125 nan 8.230 nan 0.000 0.432 120 A N -1.577 121.267 122.820 0.041 0.000 1.902 120 A HA -0.217 4.107 4.320 0.007 0.000 0.217 120 A C 2.522 180.107 177.584 0.002 0.000 1.181 120 A CA 1.916 53.979 52.037 0.043 0.000 0.623 120 A CB -1.162 17.903 19.000 0.109 0.000 0.818 120 A HN 0.559 nan 8.150 nan 0.000 0.443 121 S N 0.273 115.968 115.700 -0.009 0.000 2.356 121 S HA -0.184 4.291 4.470 0.007 0.000 0.223 121 S C 2.354 176.942 174.600 -0.020 0.000 1.032 121 S CA 2.235 60.418 58.200 -0.028 0.000 1.005 121 S CB -0.602 62.579 63.200 -0.031 0.000 0.867 121 S HN 0.929 nan 8.310 nan 0.000 0.449 122 S N 0.994 116.687 115.700 -0.012 0.000 2.440 122 S HA -0.078 4.396 4.470 0.007 0.000 0.238 122 S C 1.618 176.213 174.600 -0.009 0.000 1.010 122 S CA 1.227 59.421 58.200 -0.010 0.000 0.972 122 S CB -0.758 62.437 63.200 -0.008 0.000 0.774 122 S HN 0.777 nan 8.310 nan 0.000 0.501 123 V N -2.897 117.013 119.914 -0.007 0.000 3.647 123 V HA 0.701 4.825 4.120 0.007 0.000 0.279 123 V C 1.474 177.566 176.094 -0.003 0.000 1.314 123 V CA 0.126 62.424 62.300 -0.003 0.000 1.125 123 V CB -0.829 30.995 31.823 0.000 0.000 0.907 123 V HN 0.782 nan 8.190 nan 0.000 0.434 124 G N -0.172 108.622 108.800 -0.011 0.000 2.159 124 G HA2 -0.035 3.929 3.960 0.007 0.000 0.227 124 G HA3 -0.035 3.929 3.960 0.007 0.000 0.227 124 G C 0.403 175.289 174.900 -0.023 0.000 0.986 124 G CA 0.099 45.191 45.100 -0.014 0.000 0.651 124 G HN 1.541 nan 8.290 nan 0.000 0.523 125 A N 0.038 122.840 122.820 -0.031 0.000 2.425 125 A HA 0.553 4.878 4.320 0.007 0.000 0.242 125 A C 1.046 178.577 177.584 -0.089 0.000 1.077 125 A CA 0.841 52.844 52.037 -0.055 0.000 0.781 125 A CB 0.310 19.276 19.000 -0.058 0.000 1.020 125 A HN 0.255 nan 8.150 nan 0.000 0.494 126 D N -0.017 120.312 120.400 -0.119 0.000 2.392 126 D HA 0.349 4.993 4.640 0.007 0.000 0.206 126 D C 0.395 176.554 176.300 -0.235 0.000 1.046 126 D CA 1.274 55.195 54.000 -0.131 0.000 0.865 126 D CB 0.517 41.288 40.800 -0.048 0.000 0.969 126 D HN 0.674 nan 8.370 nan 0.000 0.509 127 A N 0.813 123.420 122.820 -0.355 0.000 2.594 127 A HA 0.604 4.928 4.320 0.007 0.000 0.295 127 A C -0.865 176.473 177.584 -0.410 0.000 1.071 127 A CA -0.774 50.974 52.037 -0.481 0.000 0.685 127 A CB 1.283 19.668 19.000 -1.025 0.000 1.285 127 A HN 0.101 nan 8.150 nan 0.000 0.405 128 I N -1.371 118.948 120.570 -0.419 0.000 3.436 128 I HA 0.934 5.108 4.170 0.007 0.000 0.296 128 I C -0.992 174.819 176.117 -0.510 0.000 1.143 128 I CA -1.290 59.675 61.300 -0.559 0.000 1.009 128 I CB 1.687 39.148 38.000 -0.898 0.000 1.301 128 I HN 0.565 nan 8.210 nan 0.000 0.503 129 L N 2.258 123.100 121.223 -0.636 0.000 2.356 129 L HA 0.618 4.963 4.340 0.007 0.000 0.277 129 L C -1.318 175.421 176.870 -0.219 0.000 0.996 129 L CA -0.230 54.434 54.840 -0.293 0.000 0.822 129 L CB 1.430 43.409 42.059 -0.134 0.000 1.256 129 L HN 0.544 nan 8.230 nan 0.000 0.413 130 I N 6.693 127.187 120.570 -0.128 0.000 2.330 130 I HA 0.333 4.507 4.170 0.007 0.000 0.286 130 I C -0.407 175.688 176.117 -0.037 0.000 1.025 130 I CA -0.227 61.041 61.300 -0.054 0.000 1.197 130 I CB 0.984 38.974 38.000 -0.016 0.000 1.358 130 I HN 0.500 nan 8.210 nan 0.000 0.467 131 I N 6.351 126.908 120.570 -0.022 0.000 2.256 131 I HA 0.189 4.364 4.170 0.007 0.000 0.294 131 I C 1.558 177.674 176.117 -0.002 0.000 1.127 131 I CA -0.106 61.176 61.300 -0.031 0.000 1.247 131 I CB 1.151 39.124 38.000 -0.045 0.000 1.460 131 I HN 0.709 nan 8.210 nan 0.000 0.511 132 A N 7.341 130.151 122.820 -0.016 0.000 1.903 132 A HA -0.253 4.071 4.320 0.007 0.000 0.219 132 A C 2.370 179.957 177.584 0.005 0.000 1.191 132 A CA 2.187 54.215 52.037 -0.014 0.000 0.638 132 A CB -0.523 18.451 19.000 -0.043 0.000 0.823 132 A HN 0.866 nan 8.150 nan 0.000 0.451 133 R N 0.483 120.990 120.500 0.012 0.000 2.303 133 R HA -0.066 4.278 4.340 0.007 0.000 0.225 133 R C 1.341 177.665 176.300 0.040 0.000 1.114 133 R CA 1.818 57.934 56.100 0.027 0.000 1.007 133 R CB -0.823 29.498 30.300 0.034 0.000 0.861 133 R HN 0.731 nan 8.270 nan 0.000 0.471 134 I N -2.710 117.889 120.570 0.048 0.000 4.025 134 I HA 0.349 4.523 4.170 0.007 0.000 0.336 134 I C -0.269 175.880 176.117 0.054 0.000 1.390 134 I CA -0.590 60.748 61.300 0.063 0.000 1.099 134 I CB 0.377 38.435 38.000 0.096 0.000 1.049 134 I HN -0.074 nan 8.210 nan 0.000 0.394 135 L N 1.646 122.895 121.223 0.043 0.000 2.354 135 L HA 0.520 4.864 4.340 0.007 0.000 0.269 135 L C 0.398 177.284 176.870 0.028 0.000 1.005 135 L CA -0.804 54.059 54.840 0.039 0.000 0.819 135 L CB 2.346 44.429 42.059 0.040 0.000 1.311 135 L HN 0.191 nan 8.230 nan 0.000 0.423 136 T N -1.328 113.242 114.554 0.028 0.000 2.882 136 T HA 0.350 4.705 4.350 0.007 0.000 0.287 136 T C 1.209 175.920 174.700 0.017 0.000 1.014 136 T CA 0.010 62.123 62.100 0.022 0.000 1.049 136 T CB 1.641 70.523 68.868 0.023 0.000 1.001 136 T HN 0.674 nan 8.240 nan 0.000 0.525 137 A N 1.202 124.029 122.820 0.012 0.000 1.948 137 A HA -0.117 4.208 4.320 0.007 0.000 0.220 137 A C 2.125 179.716 177.584 0.011 0.000 1.177 137 A CA 1.972 54.013 52.037 0.006 0.000 0.636 137 A CB -0.997 18.007 19.000 0.006 0.000 0.815 137 A HN 0.943 nan 8.150 nan 0.000 0.449 138 E N -0.239 119.972 120.200 0.017 0.000 2.112 138 E HA -0.122 4.232 4.350 0.007 0.000 0.190 138 E C 2.213 178.830 176.600 0.029 0.000 0.979 138 E CA 1.224 57.637 56.400 0.022 0.000 0.814 138 E CB -0.267 29.446 29.700 0.022 0.000 0.762 138 E HN 0.752 nan 8.360 nan 0.000 0.460 139 Q N 0.240 120.058 119.800 0.030 0.000 2.084 139 Q HA -0.131 4.214 4.340 0.007 0.000 0.202 139 Q C 2.233 178.260 176.000 0.046 0.000 0.978 139 Q CA 1.109 56.935 55.803 0.039 0.000 0.844 139 Q CB -0.201 28.560 28.738 0.039 0.000 0.898 139 Q HN 0.333 nan 8.270 nan 0.000 0.426 140 I N 0.862 121.454 120.570 0.036 0.000 2.208 140 I HA -0.310 3.864 4.170 0.007 0.000 0.245 140 I C 2.573 178.726 176.117 0.059 0.000 1.097 140 I CA 1.207 62.529 61.300 0.037 0.000 1.363 140 I CB -0.233 37.770 38.000 0.004 0.000 1.051 140 I HN 0.169 nan 8.210 nan 0.000 0.413 141 K N 1.124 121.551 120.400 0.045 0.000 2.103 141 K HA -0.199 4.125 4.320 0.007 0.000 0.204 141 K C 1.987 178.647 176.600 0.101 0.000 1.052 141 K CA 1.657 57.982 56.287 0.063 0.000 0.945 141 K CB 0.054 32.574 32.500 0.033 0.000 0.722 141 K HN 0.520 nan 8.250 nan 0.000 0.443 142 E N 0.200 120.444 120.200 0.074 0.000 2.152 142 E HA -0.134 4.220 4.350 0.007 0.000 0.192 142 E C 1.982 178.624 176.600 0.070 0.000 0.983 142 E CA 0.800 57.240 56.400 0.068 0.000 0.818 142 E CB -0.272 29.457 29.700 0.048 0.000 0.758 142 E HN 0.275 nan 8.360 nan 0.000 0.467 143 I N 0.254 120.869 120.570 0.075 0.000 2.353 143 I HA -0.211 3.963 4.170 0.007 0.000 0.248 143 I C 2.403 178.550 176.117 0.051 0.000 1.119 143 I CA 1.077 62.411 61.300 0.056 0.000 1.417 143 I CB -0.262 37.773 38.000 0.058 0.000 1.078 143 I HN 0.124 nan 8.210 nan 0.000 0.421 144 Y N 1.944 122.232 120.300 -0.020 0.000 2.145 144 Y HA -0.263 4.291 4.550 0.007 0.000 0.286 144 Y C 2.466 178.363 175.900 -0.005 0.000 1.145 144 Y CA 1.808 59.896 58.100 -0.020 0.000 1.148 144 Y CB -0.111 38.344 38.460 -0.007 0.000 0.981 144 Y HN 0.123 nan 8.280 nan 0.000 0.507 145 E N -0.141 120.160 120.200 0.168 0.000 2.110 145 E HA -0.211 4.143 4.350 0.007 0.000 0.193 145 E C 2.327 178.923 176.600 -0.006 0.000 0.988 145 E CA 0.890 57.343 56.400 0.087 0.000 0.804 145 E CB -0.301 29.468 29.700 0.115 0.000 0.745 145 E HN 0.591 nan 8.360 nan 0.000 0.458 146 A N 1.384 124.199 122.820 -0.008 0.000 1.902 146 A HA -0.136 4.189 4.320 0.007 0.000 0.217 146 A C 2.369 179.913 177.584 -0.068 0.000 1.181 146 A CA 1.740 53.762 52.037 -0.024 0.000 0.623 146 A CB -0.602 18.393 19.000 -0.007 0.000 0.818 146 A HN 0.302 nan 8.150 nan 0.000 0.443 147 A N -0.734 122.013 122.820 -0.122 0.000 1.969 147 A HA -0.071 4.253 4.320 0.007 0.000 0.218 147 A C 1.922 179.396 177.584 -0.184 0.000 1.169 147 A CA 1.940 53.874 52.037 -0.171 0.000 0.635 147 A CB -0.405 18.453 19.000 -0.237 0.000 0.810 147 A HN 0.479 nan 8.150 nan 0.000 0.445 148 E N 0.804 120.882 120.200 -0.204 0.000 2.110 148 E HA -0.192 4.162 4.350 0.007 0.000 0.193 148 E C 1.724 178.300 176.600 -0.041 0.000 0.988 148 E CA 1.641 57.963 56.400 -0.130 0.000 0.804 148 E CB -0.247 29.371 29.700 -0.138 0.000 0.745 148 E HN 0.848 nan 8.360 nan 0.000 0.458 149 E N -0.590 119.586 120.200 -0.040 0.000 2.502 149 E HA -0.009 4.345 4.350 0.007 0.000 0.194 149 E C 1.304 177.884 176.600 -0.034 0.000 1.062 149 E CA 0.270 56.660 56.400 -0.017 0.000 0.867 149 E CB 0.032 29.729 29.700 -0.005 0.000 0.888 149 E HN 0.262 nan 8.360 nan 0.000 0.510 150 L N 0.039 121.221 121.223 -0.067 0.000 2.640 150 L HA 0.330 4.674 4.340 0.007 0.000 0.230 150 L C 1.202 178.001 176.870 -0.120 0.000 1.123 150 L CA 0.278 55.072 54.840 -0.077 0.000 0.900 150 L CB 0.332 42.343 42.059 -0.079 0.000 1.146 150 L HN 0.434 nan 8.230 nan 0.000 0.484 151 G N 0.274 108.978 108.800 -0.161 0.000 2.159 151 G HA2 -0.276 3.688 3.960 0.007 0.000 0.256 151 G HA3 -0.276 3.688 3.960 0.007 0.000 0.256 151 G C 0.301 174.835 174.900 -0.610 0.000 0.977 151 G CA 0.115 45.019 45.100 -0.327 0.000 0.652 151 G HN 0.219 nan 8.290 nan 0.000 0.531 152 M N 0.249 119.614 119.600 -0.393 0.000 2.245 152 M HA 0.460 4.944 4.480 0.007 0.000 0.292 152 M C -0.130 176.002 176.300 -0.280 0.000 1.176 152 M CA -0.313 54.791 55.300 -0.327 0.000 1.035 152 M CB 0.566 33.029 32.600 -0.228 0.000 1.440 152 M HN 0.020 nan 8.290 nan 0.000 0.494 153 D N 0.143 120.444 120.400 -0.166 0.000 2.350 153 D HA 0.479 5.123 4.640 0.007 0.000 0.238 153 D C -1.158 175.066 176.300 -0.125 0.000 0.989 153 D CA -0.227 53.755 54.000 -0.031 0.000 0.921 153 D CB 2.076 43.005 40.800 0.215 0.000 1.297 153 D HN 0.424 nan 8.370 nan 0.000 0.490 154 S N 0.846 116.510 115.700 -0.060 0.000 2.519 154 S HA 0.306 4.781 4.470 0.007 0.000 0.309 154 S C -0.443 174.191 174.600 0.057 0.000 1.100 154 S CA -0.701 57.456 58.200 -0.071 0.000 1.059 154 S CB 1.424 64.594 63.200 -0.050 0.000 1.008 154 S HN 0.293 nan 8.310 nan 0.000 0.478 155 L N 5.044 126.275 121.223 0.014 0.000 2.302 155 L HA 0.427 4.771 4.340 0.007 0.000 0.285 155 L C -0.797 176.083 176.870 0.017 0.000 1.090 155 L CA -0.268 54.620 54.840 0.080 0.000 0.866 155 L CB 0.112 42.226 42.059 0.093 0.000 1.244 155 L HN 0.474 nan 8.230 nan 0.000 0.435 156 V N 5.189 125.125 119.914 0.036 0.000 2.415 156 V HA 0.173 4.297 4.120 0.007 0.000 0.267 156 V C 0.574 176.647 176.094 -0.034 0.000 1.042 156 V CA -0.352 61.946 62.300 -0.004 0.000 1.000 156 V CB 0.514 32.331 31.823 -0.010 0.000 1.015 156 V HN 0.725 nan 8.190 nan 0.000 0.478 157 E N 4.412 124.585 120.200 -0.045 0.000 2.146 157 E HA 0.521 4.875 4.350 0.007 0.000 0.282 157 E C -0.662 175.910 176.600 -0.047 0.000 0.989 157 E CA -0.503 55.868 56.400 -0.048 0.000 0.799 157 E CB 1.668 31.331 29.700 -0.061 0.000 1.088 157 E HN 0.649 nan 8.360 nan 0.000 0.397 158 V N 2.128 122.019 119.914 -0.039 0.000 2.815 158 V HA 0.444 4.568 4.120 0.007 0.000 0.314 158 V C -0.216 175.908 176.094 0.050 0.000 1.064 158 V CA -0.475 61.812 62.300 -0.022 0.000 0.952 158 V CB 1.696 33.477 31.823 -0.069 0.000 1.020 158 V HN 0.885 nan 8.190 nan 0.000 0.439 159 H N 1.255 120.287 119.070 -0.064 0.000 3.643 159 H HA 0.485 5.045 4.556 0.006 0.000 0.256 159 H C 0.610 175.910 175.328 -0.046 0.000 1.107 159 H CA 0.723 56.737 56.048 -0.057 0.000 1.175 159 H CB 0.681 30.411 29.762 -0.054 0.000 1.519 159 H HN 1.057 nan 8.280 nan 0.000 0.565 160 S N -1.532 114.122 115.700 -0.077 0.000 2.671 160 S HA 0.310 4.785 4.470 0.007 0.000 0.277 160 S C 0.666 175.229 174.600 -0.063 0.000 1.165 160 S CA -0.919 57.211 58.200 -0.117 0.000 0.822 160 S CB 2.313 65.458 63.200 -0.091 0.000 1.150 160 S HN 0.205 nan 8.310 nan 0.000 0.479 161 R N 0.166 120.636 120.500 -0.050 0.000 2.148 161 R HA -0.011 4.333 4.340 0.007 0.000 0.223 161 R C 1.381 177.671 176.300 -0.018 0.000 1.088 161 R CA 1.055 57.141 56.100 -0.025 0.000 0.985 161 R CB -0.216 30.078 30.300 -0.010 0.000 0.880 161 R HN 0.682 nan 8.270 nan 0.000 0.451 162 E N 0.880 121.069 120.200 -0.018 0.000 2.077 162 E HA -0.189 4.165 4.350 0.007 0.000 0.193 162 E C 1.445 178.034 176.600 -0.018 0.000 0.989 162 E CA 1.209 57.604 56.400 -0.009 0.000 0.800 162 E CB -0.138 29.561 29.700 -0.002 0.000 0.746 162 E HN 0.374 nan 8.360 nan 0.000 0.452 163 D N 0.458 120.842 120.400 -0.027 0.000 2.097 163 D HA -0.132 4.512 4.640 0.007 0.000 0.195 163 D C 2.010 178.252 176.300 -0.095 0.000 0.989 163 D CA 0.447 54.421 54.000 -0.044 0.000 0.827 163 D CB -0.251 40.532 40.800 -0.030 0.000 0.966 163 D HN 0.067 nan 8.370 nan 0.000 0.456 164 L N 1.467 122.627 121.223 -0.106 0.000 2.046 164 L HA -0.119 4.225 4.340 0.007 0.000 0.208 164 L C 1.981 178.758 176.870 -0.156 0.000 1.077 164 L CA 1.665 56.392 54.840 -0.190 0.000 0.747 164 L CB -0.703 41.290 42.059 -0.111 0.000 0.896 164 L HN 0.009 nan 8.230 nan 0.000 0.432 165 E N -0.763 119.420 120.200 -0.029 0.000 2.051 165 E HA -0.267 4.087 4.350 0.007 0.000 0.192 165 E C 2.137 178.746 176.600 0.016 0.000 0.991 165 E CA 1.235 57.658 56.400 0.039 0.000 0.799 165 E CB -0.186 29.537 29.700 0.037 0.000 0.748 165 E HN 0.352 nan 8.360 nan 0.000 0.449 166 K N 0.997 121.385 120.400 -0.020 0.000 2.152 166 K HA -0.150 4.174 4.320 0.007 0.000 0.206 166 K C 1.992 178.564 176.600 -0.048 0.000 1.048 166 K CA 0.886 57.160 56.287 -0.021 0.000 0.933 166 K CB 0.087 32.574 32.500 -0.022 0.000 0.721 166 K HN 0.003 nan 8.250 nan 0.000 0.447 167 V N 0.675 120.515 119.914 -0.125 0.000 2.323 167 V HA -0.179 3.946 4.120 0.007 0.000 0.244 167 V C 1.936 177.964 176.094 -0.109 0.000 1.041 167 V CA 1.394 63.580 62.300 -0.190 0.000 1.025 167 V CB -0.480 31.122 31.823 -0.367 0.000 0.656 167 V HN 0.203 nan 8.190 nan 0.000 0.451 168 F N 1.179 121.100 119.950 -0.049 0.000 2.451 168 F HA -0.079 4.452 4.527 0.007 0.000 0.299 168 F C 2.565 178.338 175.800 -0.045 0.000 1.101 168 F CA 1.137 59.107 58.000 -0.051 0.000 1.436 168 F CB -1.004 37.973 39.000 -0.038 0.000 1.074 168 F HN 0.309 nan 8.300 nan 0.000 0.553 169 S N -1.836 113.943 115.700 0.132 0.000 2.607 169 S HA 0.054 4.529 4.470 0.007 0.000 0.224 169 S C 1.443 176.066 174.600 0.038 0.000 0.969 169 S CA 0.822 59.063 58.200 0.070 0.000 0.927 169 S CB -0.076 63.152 63.200 0.045 0.000 0.772 169 S HN 0.135 nan 8.310 nan 0.000 0.533 170 V N 0.267 120.199 119.914 0.030 0.000 3.245 170 V HA 0.482 4.606 4.120 0.007 0.000 0.246 170 V C -0.116 175.962 176.094 -0.027 0.000 1.487 170 V CA 0.466 62.766 62.300 -0.000 0.000 1.154 170 V CB 0.767 32.584 31.823 -0.010 0.000 0.971 170 V HN 0.675 nan 8.190 nan 0.000 0.443 171 I N -1.944 118.602 120.570 -0.040 0.000 3.195 171 I HA 0.620 4.794 4.170 0.007 0.000 0.313 171 I C -0.768 175.344 176.117 -0.009 0.000 1.237 171 I CA -1.182 60.049 61.300 -0.115 0.000 0.963 171 I CB 2.279 40.046 38.000 -0.387 0.000 1.278 171 I HN -0.211 nan 8.210 nan 0.000 0.460 172 R N 2.346 122.815 120.500 -0.052 0.000 2.396 172 R HA 0.446 4.790 4.340 0.007 0.000 0.292 172 R C -2.508 173.800 176.300 0.013 0.000 1.240 172 R CA -1.465 54.671 56.100 0.059 0.000 1.270 172 R CB 0.482 30.789 30.300 0.012 0.000 1.108 172 R HN 0.477 nan 8.270 nan 0.000 0.573 173 P HA -0.011 nan 4.420 nan 0.000 0.267 173 P C -0.154 177.225 177.300 0.131 0.000 1.200 173 P CA -0.204 62.914 63.100 0.030 0.000 0.772 173 P CB 1.114 32.814 31.700 -0.000 0.000 0.855 174 K N 1.125 121.637 120.400 0.188 0.000 2.211 174 K HA 0.234 4.558 4.320 0.007 0.000 0.201 174 K C 0.783 177.449 176.600 0.110 0.000 1.052 174 K CA 0.680 57.050 56.287 0.138 0.000 0.973 174 K CB 0.196 32.781 32.500 0.142 0.000 0.766 174 K HN 0.512 nan 8.250 nan 0.000 0.466 175 I N 1.310 121.958 120.570 0.129 0.000 2.478 175 I HA 0.320 4.495 4.170 0.007 0.000 0.287 175 I C -0.738 175.425 176.117 0.078 0.000 1.042 175 I CA -0.514 60.842 61.300 0.093 0.000 1.067 175 I CB 2.127 40.197 38.000 0.118 0.000 1.233 175 I HN -0.204 nan 8.210 nan 0.000 0.431 176 I N 4.474 125.069 120.570 0.042 0.000 2.474 176 I HA 0.596 4.770 4.170 0.007 0.000 0.294 176 I C 0.318 176.434 176.117 -0.001 0.000 1.005 176 I CA -0.425 60.878 61.300 0.005 0.000 1.113 176 I CB 2.151 40.141 38.000 -0.015 0.000 1.289 176 I HN 0.647 nan 8.210 nan 0.000 0.436 177 G N 6.630 115.424 108.800 -0.011 0.000 2.461 177 G HA2 0.721 4.685 3.960 0.007 0.000 0.323 177 G HA3 0.721 4.685 3.960 0.007 0.000 0.323 177 G C -0.936 173.946 174.900 -0.031 0.000 1.229 177 G CA -0.434 44.658 45.100 -0.014 0.000 0.941 177 G HN 0.467 nan 8.290 nan 0.000 0.477 178 I N 2.210 122.755 120.570 -0.040 0.000 2.330 178 I HA 0.204 4.378 4.170 0.007 0.000 0.289 178 I C -0.455 175.644 176.117 -0.030 0.000 1.001 178 I CA -0.894 60.380 61.300 -0.043 0.000 1.193 178 I CB 1.684 39.638 38.000 -0.077 0.000 1.345 178 I HN 0.262 nan 8.210 nan 0.000 0.461 179 N N 3.849 122.554 118.700 0.009 0.000 2.422 179 N HA 0.165 4.909 4.740 0.007 0.000 0.266 179 N C 0.934 176.506 175.510 0.103 0.000 1.007 179 N CA -0.288 52.771 53.050 0.016 0.000 0.941 179 N CB 1.489 39.954 38.487 -0.036 0.000 1.115 179 N HN 0.679 nan 8.380 nan 0.000 0.492 180 T N 0.363 114.945 114.554 0.047 0.000 3.088 180 T HA 0.052 4.406 4.350 0.007 0.000 0.259 180 T C 0.899 175.658 174.700 0.100 0.000 1.122 180 T CA 0.305 62.452 62.100 0.079 0.000 1.095 180 T CB 0.240 69.116 68.868 0.013 0.000 0.930 180 T HN 0.418 nan 8.240 nan 0.000 0.508 181 R N 1.699 122.195 120.500 -0.006 0.000 2.349 181 R HA 0.191 4.535 4.340 0.007 0.000 0.299 181 R C -0.953 175.143 176.300 -0.340 0.000 1.027 181 R CA -0.550 55.497 56.100 -0.090 0.000 0.958 181 R CB 0.532 30.789 30.300 -0.071 0.000 1.047 181 R HN 0.164 nan 8.270 nan 0.000 0.468 182 D N 5.489 125.702 120.400 -0.313 0.000 2.336 182 D HA 0.025 4.670 4.640 0.007 0.000 0.249 182 D C 1.007 176.981 176.300 -0.543 0.000 1.213 182 D CA -0.114 53.612 54.000 -0.457 0.000 0.870 182 D CB 0.950 41.666 40.800 -0.140 0.000 1.076 182 D HN 0.620 nan 8.370 nan 0.000 0.483 183 L N 3.134 124.023 121.223 -0.557 0.000 2.633 183 L HA -0.097 4.247 4.340 0.007 0.000 0.235 183 L C 1.378 177.938 176.870 -0.517 0.000 1.163 183 L CA 0.399 54.877 54.840 -0.604 0.000 0.859 183 L CB -0.159 41.737 42.059 -0.272 0.000 0.973 183 L HN 0.380 nan 8.230 nan 0.000 0.451 184 D N -1.113 119.086 120.400 -0.335 0.000 2.597 184 D HA -0.064 4.581 4.640 0.007 0.000 0.261 184 D C 2.059 178.373 176.300 0.024 0.000 1.023 184 D CA 1.397 55.338 54.000 -0.098 0.000 0.927 184 D CB 0.413 41.197 40.800 -0.026 0.000 1.168 184 D HN 0.174 nan 8.370 nan 0.000 0.491 185 T N -3.025 111.525 114.554 -0.008 0.000 3.039 185 T HA 0.124 4.479 4.350 0.007 0.000 0.250 185 T C 0.855 175.710 174.700 0.258 0.000 1.052 185 T CA 0.105 62.274 62.100 0.115 0.000 1.125 185 T CB 0.100 69.006 68.868 0.063 0.000 0.908 185 T HN 0.097 nan 8.240 nan 0.000 0.473 186 F N 1.132 121.085 119.950 0.004 0.000 2.737 186 F HA -0.121 4.410 4.527 0.006 0.000 0.288 186 F C 0.159 175.969 175.800 0.016 0.000 0.708 186 F CA -0.054 57.951 58.000 0.008 0.000 1.483 186 F CB -2.156 36.847 39.000 0.005 0.000 1.745 186 F HN 0.282 nan 8.300 nan 0.000 0.354 187 E N 1.178 121.432 120.200 0.089 0.000 2.319 187 E HA 0.633 4.988 4.350 0.007 0.000 0.268 187 E C 0.241 176.876 176.600 0.058 0.000 1.050 187 E CA -0.659 55.789 56.400 0.080 0.000 0.878 187 E CB 1.803 31.542 29.700 0.066 0.000 1.066 187 E HN 0.411 nan 8.360 nan 0.000 0.406 188 I N -1.109 119.501 120.570 0.067 0.000 2.493 188 I HA 0.451 4.626 4.170 0.007 0.000 0.298 188 I C -1.107 175.051 176.117 0.068 0.000 0.998 188 I CA -0.787 60.551 61.300 0.064 0.000 1.137 188 I CB 1.209 39.246 38.000 0.062 0.000 1.310 188 I HN 0.287 nan 8.210 nan 0.000 0.445 189 K N 6.352 126.796 120.400 0.074 0.000 2.621 189 K HA 0.343 4.667 4.320 0.007 0.000 0.233 189 K C 0.150 176.780 176.600 0.049 0.000 0.972 189 K CA -0.872 55.452 56.287 0.062 0.000 0.988 189 K CB 1.686 34.220 32.500 0.057 0.000 1.187 189 K HN 0.520 nan 8.250 nan 0.000 0.471 190 K N 1.458 121.893 120.400 0.059 0.000 2.034 190 K HA -0.221 4.103 4.320 0.007 0.000 0.214 190 K C 1.367 178.004 176.600 0.063 0.000 1.051 190 K CA 1.811 58.136 56.287 0.063 0.000 0.931 190 K CB -0.210 32.362 32.500 0.119 0.000 0.715 190 K HN 0.660 nan 8.250 nan 0.000 0.446 191 N N 1.545 120.322 118.700 0.128 0.000 2.247 191 N HA -0.150 4.594 4.740 0.007 0.000 0.189 191 N C 1.769 177.324 175.510 0.074 0.000 1.009 191 N CA 1.312 54.473 53.050 0.186 0.000 0.872 191 N CB -0.895 37.676 38.487 0.140 0.000 0.980 191 N HN -0.025 nan 8.380 nan 0.000 0.436 192 V N 1.701 121.605 119.914 -0.017 0.000 2.469 192 V HA -0.182 3.942 4.120 0.007 0.000 0.251 192 V C 2.547 178.562 176.094 -0.133 0.000 1.064 192 V CA 1.087 63.340 62.300 -0.078 0.000 1.066 192 V CB -0.640 31.121 31.823 -0.103 0.000 0.667 192 V HN 0.330 nan 8.190 nan 0.000 0.461 193 L N -1.147 119.921 121.223 -0.259 0.000 2.005 193 L HA -0.178 4.166 4.340 0.007 0.000 0.207 193 L C 2.428 179.051 176.870 -0.412 0.000 1.072 193 L CA 2.331 56.898 54.840 -0.456 0.000 0.744 193 L CB -0.297 41.265 42.059 -0.828 0.000 0.895 193 L HN 0.418 nan 8.230 nan 0.000 0.433 194 W N 0.664 121.963 121.300 -0.002 0.000 2.392 194 W HA -0.181 4.482 4.660 0.006 0.000 0.279 194 W C 2.539 179.055 176.519 -0.005 0.000 1.225 194 W CA 0.756 58.100 57.345 -0.002 0.000 1.233 194 W CB -0.178 29.280 29.460 -0.003 0.000 1.122 194 W HN 0.306 nan 8.180 nan 0.000 0.561 195 E N 0.051 120.332 120.200 0.136 0.000 2.033 195 E HA -0.139 4.215 4.350 0.007 0.000 0.189 195 E C 2.024 178.648 176.600 0.040 0.000 0.979 195 E CA 0.855 57.303 56.400 0.079 0.000 0.802 195 E CB -0.892 28.833 29.700 0.041 0.000 0.763 195 E HN 0.192 nan 8.360 nan 0.000 0.449 196 L N 1.189 122.410 121.223 -0.003 0.000 2.201 196 L HA -0.061 4.283 4.340 0.007 0.000 0.212 196 L C 2.424 179.299 176.870 0.009 0.000 1.105 196 L CA 0.978 55.812 54.840 -0.010 0.000 0.775 196 L CB -0.758 41.274 42.059 -0.045 0.000 0.913 196 L HN 0.132 nan 8.230 nan 0.000 0.440 197 L N -0.165 121.061 121.223 0.007 0.000 2.043 197 L HA -0.216 4.128 4.340 0.007 0.000 0.212 197 L C -0.143 176.758 176.870 0.052 0.000 1.075 197 L CA 1.568 56.421 54.840 0.022 0.000 0.752 197 L CB -1.190 40.892 42.059 0.038 0.000 0.891 197 L HN 0.279 nan 8.230 nan 0.000 0.432 198 P HA -0.169 nan 4.420 nan 0.000 0.217 198 P C 1.591 178.923 177.300 0.053 0.000 1.150 198 P CA 0.928 64.063 63.100 0.059 0.000 0.832 198 P CB 0.036 31.771 31.700 0.059 0.000 0.787 199 L N -1.352 119.906 121.223 0.058 0.000 2.450 199 L HA -0.055 4.289 4.340 0.007 0.000 0.224 199 L C 0.684 177.626 176.870 0.120 0.000 1.149 199 L CA 0.985 55.871 54.840 0.078 0.000 0.816 199 L CB -0.973 41.132 42.059 0.078 0.000 0.932 199 L HN -0.201 nan 8.230 nan 0.000 0.449 200 V N 0.666 120.642 119.914 0.102 0.000 2.432 200 V HA 0.240 4.365 4.120 0.007 0.000 0.275 200 V C -1.725 174.420 176.094 0.085 0.000 1.043 200 V CA -1.722 60.656 62.300 0.131 0.000 0.925 200 V CB 0.733 32.608 31.823 0.087 0.000 0.985 200 V HN 0.109 nan 8.190 nan 0.000 0.466 201 P HA 0.042 nan 4.420 nan 0.000 0.269 201 P C 0.295 177.609 177.300 0.022 0.000 1.211 201 P CA -0.029 63.078 63.100 0.012 0.000 0.781 201 P CB 0.568 32.252 31.700 -0.028 0.000 0.877 202 D N -0.078 120.325 120.400 0.006 0.000 2.269 202 D HA -0.105 4.539 4.640 0.007 0.000 0.208 202 D C 1.006 177.311 176.300 0.009 0.000 0.963 202 D CA 1.103 55.108 54.000 0.009 0.000 0.864 202 D CB -0.189 40.612 40.800 0.003 0.000 0.936 202 D HN 0.347 nan 8.370 nan 0.000 0.505 203 D N -0.433 119.970 120.400 0.005 0.000 2.339 203 D HA 0.021 4.665 4.640 0.007 0.000 0.217 203 D C -0.198 176.112 176.300 0.018 0.000 1.050 203 D CA 0.281 54.285 54.000 0.006 0.000 0.856 203 D CB 0.365 41.163 40.800 -0.003 0.000 0.922 203 D HN 0.004 nan 8.370 nan 0.000 0.518 204 T N -0.185 114.388 114.554 0.031 0.000 2.928 204 T HA 0.368 4.722 4.350 0.007 0.000 0.284 204 T C 0.143 174.861 174.700 0.031 0.000 1.008 204 T CA -0.595 61.533 62.100 0.047 0.000 1.057 204 T CB 2.407 71.327 68.868 0.087 0.000 1.018 204 T HN -0.304 nan 8.240 nan 0.000 0.493 205 V N 3.175 123.104 119.914 0.025 0.000 2.461 205 V HA 0.335 4.459 4.120 0.007 0.000 0.275 205 V C -0.051 176.044 176.094 0.003 0.000 1.047 205 V CA -0.467 61.833 62.300 0.001 0.000 0.955 205 V CB 1.173 32.983 31.823 -0.021 0.000 0.988 205 V HN 0.668 nan 8.190 nan 0.000 0.471 206 V N 5.693 125.601 119.914 -0.009 0.000 2.448 206 V HA 0.520 4.644 4.120 0.007 0.000 0.295 206 V C -0.234 175.842 176.094 -0.031 0.000 1.025 206 V CA -0.644 61.647 62.300 -0.015 0.000 0.859 206 V CB 1.800 33.614 31.823 -0.014 0.000 0.988 206 V HN 0.571 nan 8.190 nan 0.000 0.431 207 V N 3.437 123.333 119.914 -0.030 0.000 2.448 207 V HA 0.755 4.880 4.120 0.007 0.000 0.295 207 V C 0.438 176.507 176.094 -0.042 0.000 1.025 207 V CA -0.619 61.662 62.300 -0.032 0.000 0.859 207 V CB 1.773 33.591 31.823 -0.010 0.000 0.988 207 V HN 1.010 nan 8.190 nan 0.000 0.431 208 A N 4.388 127.177 122.820 -0.052 0.000 2.276 208 A HA 0.680 5.004 4.320 0.007 0.000 0.300 208 A C -0.034 177.525 177.584 -0.041 0.000 1.235 208 A CA -0.438 51.554 52.037 -0.075 0.000 0.867 208 A CB 0.195 19.131 19.000 -0.108 0.000 1.137 208 A HN 0.876 nan 8.150 nan 0.000 0.527 209 E N 1.875 122.052 120.200 -0.038 0.000 2.195 209 E HA 0.624 4.978 4.350 0.007 0.000 0.271 209 E C -0.499 176.096 176.600 -0.008 0.000 0.923 209 E CA -0.576 55.814 56.400 -0.016 0.000 0.790 209 E CB 1.485 31.175 29.700 -0.017 0.000 1.155 209 E HN 0.783 nan 8.360 nan 0.000 0.402 210 S N 0.533 116.240 115.700 0.013 0.000 3.522 210 S HA -0.072 4.402 4.470 0.007 0.000 0.829 210 S C 0.915 175.538 174.600 0.038 0.000 1.219 210 S CA 0.403 58.621 58.200 0.031 0.000 1.016 210 S CB -0.785 62.432 63.200 0.028 0.000 0.587 210 S HN 1.290 nan 8.310 nan 0.000 0.357 211 G N 0.147 108.980 108.800 0.056 0.000 2.234 211 G HA2 -0.279 3.685 3.960 0.007 0.000 0.260 211 G HA3 -0.279 3.685 3.960 0.007 0.000 0.260 211 G C 0.141 175.088 174.900 0.077 0.000 0.987 211 G CA 0.193 45.331 45.100 0.063 0.000 0.625 211 G HN 1.072 nan 8.290 nan 0.000 0.532 212 I N 1.083 121.706 120.570 0.088 0.000 2.664 212 I HA 0.088 4.263 4.170 0.007 0.000 0.284 212 I C 1.413 177.632 176.117 0.170 0.000 1.154 212 I CA 0.922 62.296 61.300 0.122 0.000 1.402 212 I CB 0.814 38.895 38.000 0.134 0.000 1.395 212 I HN 0.185 nan 8.210 nan 0.000 0.545 213 K N 3.226 123.727 120.400 0.168 0.000 2.435 213 K HA 0.113 4.437 4.320 0.007 0.000 0.199 213 K C -0.275 176.482 176.600 0.261 0.000 1.153 213 K CA -0.022 56.384 56.287 0.198 0.000 0.974 213 K CB 0.540 33.114 32.500 0.123 0.000 0.997 213 K HN 0.512 nan 8.250 nan 0.000 0.547 214 D N 0.431 120.932 120.400 0.168 0.000 2.593 214 D HA 0.196 4.840 4.640 0.007 0.000 0.251 214 D C -2.260 174.028 176.300 -0.021 0.000 1.140 214 D CA -2.379 51.669 54.000 0.081 0.000 0.855 214 D CB 2.078 42.896 40.800 0.030 0.000 1.267 214 D HN -0.288 nan 8.370 nan 0.000 0.532 215 P HA -0.124 nan 4.420 nan 0.000 0.217 215 P C 0.900 178.125 177.300 -0.126 0.000 1.148 215 P CA 0.949 63.956 63.100 -0.155 0.000 0.828 215 P CB 0.292 31.881 31.700 -0.187 0.000 0.783 216 R N -0.115 120.207 120.500 -0.297 0.000 2.159 216 R HA -0.123 4.221 4.340 0.007 0.000 0.237 216 R C 2.089 178.171 176.300 -0.364 0.000 1.131 216 R CA 1.061 56.773 56.100 -0.645 0.000 0.982 216 R CB -0.942 29.011 30.300 -0.578 0.000 0.868 216 R HN 0.381 nan 8.270 nan 0.000 0.453 217 E N 0.055 120.158 120.200 -0.161 0.000 2.171 217 E HA -0.210 4.145 4.350 0.007 0.000 0.197 217 E C 1.340 177.929 176.600 -0.017 0.000 0.997 217 E CA 0.920 57.285 56.400 -0.058 0.000 0.810 217 E CB -0.128 29.578 29.700 0.009 0.000 0.738 217 E HN 0.145 nan 8.360 nan 0.000 0.467 218 L N 1.262 122.480 121.223 -0.008 0.000 2.265 218 L HA -0.176 4.169 4.340 0.007 0.000 0.215 218 L C 2.216 179.123 176.870 0.061 0.000 1.117 218 L CA 1.412 56.283 54.840 0.052 0.000 0.782 218 L CB -0.448 41.668 42.059 0.095 0.000 0.914 218 L HN 0.019 nan 8.230 nan 0.000 0.441 219 K N -0.136 120.263 120.400 -0.002 0.000 2.063 219 K HA -0.205 4.119 4.320 0.007 0.000 0.208 219 K C 1.238 177.852 176.600 0.024 0.000 1.048 219 K CA 1.804 58.091 56.287 -0.000 0.000 0.928 219 K CB -0.010 32.382 32.500 -0.180 0.000 0.713 219 K HN 0.323 nan 8.250 nan 0.000 0.442 220 D N 0.520 120.936 120.400 0.026 0.000 2.277 220 D HA -0.084 4.561 4.640 0.007 0.000 0.208 220 D C 1.640 178.033 176.300 0.156 0.000 0.962 220 D CA 0.462 54.503 54.000 0.068 0.000 0.865 220 D CB 0.112 40.960 40.800 0.080 0.000 0.939 220 D HN 0.157 nan 8.370 nan 0.000 0.510 221 L N 0.605 121.917 121.223 0.148 0.000 2.395 221 L HA 0.046 4.391 4.340 0.007 0.000 0.218 221 L C 0.608 177.545 176.870 0.111 0.000 1.130 221 L CA 0.484 55.416 54.840 0.152 0.000 0.826 221 L CB -0.627 41.490 42.059 0.096 0.000 0.941 221 L HN -0.175 nan 8.230 nan 0.000 0.451 222 R N -0.054 120.500 120.500 0.091 0.000 2.504 222 R HA 0.235 4.579 4.340 0.007 0.000 0.291 222 R C 1.471 177.812 176.300 0.068 0.000 0.974 222 R CA 0.885 57.029 56.100 0.073 0.000 1.077 222 R CB -0.409 29.932 30.300 0.069 0.000 0.926 222 R HN 0.350 nan 8.270 nan 0.000 0.407 223 G N 2.012 110.845 108.800 0.054 0.000 2.245 223 G HA2 -0.343 3.621 3.960 0.007 0.000 0.264 223 G HA3 -0.343 3.621 3.960 0.007 0.000 0.264 223 G C 0.942 175.877 174.900 0.057 0.000 0.985 223 G CA 0.526 45.654 45.100 0.048 0.000 0.625 223 G HN 0.549 nan 8.290 nan 0.000 0.536 224 K N -0.639 119.809 120.400 0.080 0.000 2.308 224 K HA 0.481 4.805 4.320 0.007 0.000 0.197 224 K C 0.741 177.377 176.600 0.060 0.000 1.049 224 K CA 0.593 56.940 56.287 0.100 0.000 0.991 224 K CB 0.909 33.524 32.500 0.192 0.000 0.836 224 K HN 0.395 nan 8.250 nan 0.000 0.500 225 V N 1.112 121.049 119.914 0.039 0.000 2.962 225 V HA 0.135 4.259 4.120 0.007 0.000 0.313 225 V C 0.114 176.208 176.094 0.000 0.000 1.099 225 V CA -0.611 61.692 62.300 0.005 0.000 0.971 225 V CB 2.230 34.041 31.823 -0.020 0.000 1.028 225 V HN 0.064 nan 8.190 nan 0.000 0.430 226 N N 1.753 120.443 118.700 -0.016 0.000 2.250 226 N HA 0.386 5.130 4.740 0.007 0.000 0.181 226 N C 0.082 175.571 175.510 -0.034 0.000 1.017 226 N CA 1.189 54.223 53.050 -0.027 0.000 0.866 226 N CB 0.192 38.654 38.487 -0.043 0.000 0.985 226 N HN 0.856 nan 8.380 nan 0.000 0.429 227 A N -1.052 121.746 122.820 -0.036 0.000 2.540 227 A HA 0.639 4.963 4.320 0.007 0.000 0.291 227 A C -1.716 175.855 177.584 -0.022 0.000 1.083 227 A CA -0.654 51.363 52.037 -0.033 0.000 0.650 227 A CB 0.736 19.698 19.000 -0.063 0.000 1.292 227 A HN -0.152 nan 8.150 nan 0.000 0.435 228 V N -0.045 119.864 119.914 -0.008 0.000 2.823 228 V HA 0.682 4.806 4.120 0.007 0.000 0.312 228 V C -0.656 175.447 176.094 0.015 0.000 1.072 228 V CA -0.518 61.785 62.300 0.005 0.000 0.937 228 V CB 1.803 33.639 31.823 0.022 0.000 1.013 228 V HN 0.864 nan 8.190 nan 0.000 0.430 229 L N 3.775 125.011 121.223 0.021 0.000 2.319 229 L HA 0.770 5.114 4.340 0.007 0.000 0.281 229 L C -1.254 175.639 176.870 0.039 0.000 1.005 229 L CA -0.333 54.526 54.840 0.031 0.000 0.828 229 L CB 1.400 43.479 42.059 0.033 0.000 1.227 229 L HN 0.552 nan 8.230 nan 0.000 0.415 230 V N 4.293 124.232 119.914 0.042 0.000 2.656 230 V HA 0.707 4.831 4.120 0.007 0.000 0.307 230 V C 0.380 176.503 176.094 0.049 0.000 1.051 230 V CA -0.059 62.279 62.300 0.065 0.000 0.893 230 V CB 1.319 33.215 31.823 0.121 0.000 0.999 230 V HN 0.881 nan 8.190 nan 0.000 0.426 231 G N 1.536 110.366 108.800 0.050 0.000 2.482 231 G HA2 0.062 4.026 3.960 0.007 0.000 0.184 231 G HA3 0.062 4.026 3.960 0.007 0.000 0.184 231 G C 1.127 176.035 174.900 0.014 0.000 1.331 231 G CA 0.981 46.109 45.100 0.046 0.000 0.668 231 G HN 0.542 nan 8.290 nan 0.000 0.631 232 T N 2.055 116.615 114.554 0.009 0.000 2.624 232 T HA -0.170 4.184 4.350 0.007 0.000 0.268 232 T C 2.631 177.285 174.700 -0.076 0.000 1.041 232 T CA 2.053 64.141 62.100 -0.021 0.000 1.159 232 T CB -0.533 68.340 68.868 0.008 0.000 0.863 232 T HN 0.184 nan 8.240 nan 0.000 0.434 233 S N 0.801 116.437 115.700 -0.106 0.000 2.380 233 S HA -0.085 4.389 4.470 0.007 0.000 0.229 233 S C 2.011 176.290 174.600 -0.535 0.000 1.043 233 S CA 1.136 59.165 58.200 -0.285 0.000 1.038 233 S CB -0.494 62.566 63.200 -0.233 0.000 0.872 233 S HN 0.436 nan 8.310 nan 0.000 0.456 234 I N 0.782 121.139 120.570 -0.355 0.000 2.233 234 I HA -0.141 4.033 4.170 0.007 0.000 0.243 234 I C 2.278 178.415 176.117 0.034 0.000 1.093 234 I CA 0.846 62.033 61.300 -0.188 0.000 1.380 234 I CB -0.319 37.742 38.000 0.101 0.000 1.067 234 I HN 0.279 nan 8.210 nan 0.000 0.413 235 M N 0.537 120.150 119.600 0.021 0.000 2.159 235 M HA -0.170 4.314 4.480 0.007 0.000 0.263 235 M C 2.060 178.372 176.300 0.020 0.000 1.063 235 M CA 1.692 56.991 55.300 -0.002 0.000 1.110 235 M CB -1.000 31.508 32.600 -0.153 0.000 1.374 235 M HN 0.191 nan 8.290 nan 0.000 0.411 236 K N -0.000 120.379 120.400 -0.035 0.000 2.361 236 K HA 0.209 4.534 4.320 0.007 0.000 0.196 236 K C 0.633 177.222 176.600 -0.018 0.000 1.039 236 K CA 0.104 56.376 56.287 -0.026 0.000 1.001 236 K CB 0.072 32.547 32.500 -0.042 0.000 0.795 236 K HN 0.231 nan 8.250 nan 0.000 0.495 237 A N 2.049 124.834 122.820 -0.059 0.000 2.561 237 A HA -0.086 4.238 4.320 0.007 0.000 0.234 237 A C 1.138 178.746 177.584 0.041 0.000 1.055 237 A CA 0.175 52.194 52.037 -0.031 0.000 0.756 237 A CB 0.321 19.270 19.000 -0.086 0.000 0.986 237 A HN 0.153 nan 8.150 nan 0.000 0.505 238 E N 0.610 120.843 120.200 0.054 0.000 2.106 238 E HA -0.124 4.231 4.350 0.007 0.000 0.192 238 E C 0.029 176.665 176.600 0.060 0.000 0.984 238 E CA 0.957 57.390 56.400 0.055 0.000 0.806 238 E CB 0.114 29.846 29.700 0.053 0.000 0.750 238 E HN 0.672 nan 8.360 nan 0.000 0.458 239 N N -0.003 118.746 118.700 0.082 0.000 2.682 239 N HA 0.137 4.881 4.740 0.007 0.000 0.252 239 N C -2.287 173.297 175.510 0.123 0.000 1.081 239 N CA -1.967 51.132 53.050 0.082 0.000 0.844 239 N CB 1.410 39.944 38.487 0.078 0.000 1.167 239 N HN -0.254 nan 8.380 nan 0.000 0.523 240 P HA -0.171 nan 4.420 nan 0.000 0.215 240 P C 1.319 178.733 177.300 0.190 0.000 1.157 240 P CA 1.166 64.353 63.100 0.146 0.000 0.874 240 P CB 0.357 32.098 31.700 0.069 0.000 0.790 241 R N -0.411 120.154 120.500 0.109 0.000 2.096 241 R HA -0.131 4.213 4.340 0.007 0.000 0.235 241 R C 2.357 178.726 176.300 0.116 0.000 1.127 241 R CA 1.199 57.358 56.100 0.100 0.000 0.968 241 R CB -0.301 30.023 30.300 0.040 0.000 0.861 241 R HN -0.052 nan 8.270 nan 0.000 0.440 242 R N -0.092 120.481 120.500 0.121 0.000 2.075 242 R HA -0.132 4.212 4.340 0.007 0.000 0.232 242 R C 2.062 178.440 176.300 0.130 0.000 1.126 242 R CA 1.434 57.598 56.100 0.106 0.000 0.963 242 R CB -0.758 29.605 30.300 0.104 0.000 0.858 242 R HN 0.262 nan 8.270 nan 0.000 0.435 243 F N 1.323 121.316 119.950 0.073 0.000 2.069 243 F HA -0.218 4.312 4.527 0.005 0.000 0.298 243 F C 2.264 178.117 175.800 0.088 0.000 1.113 243 F CA 1.550 59.603 58.000 0.089 0.000 1.214 243 F CB -0.369 38.691 39.000 0.101 0.000 0.978 243 F HN -0.057 nan 8.300 nan 0.000 0.474 244 L N -0.219 121.172 121.223 0.280 0.000 2.083 244 L HA -0.220 4.124 4.340 0.007 0.000 0.209 244 L C 2.377 179.281 176.870 0.058 0.000 1.083 244 L CA 1.574 56.517 54.840 0.172 0.000 0.752 244 L CB -0.630 41.544 42.059 0.191 0.000 0.899 244 L HN 0.219 nan 8.230 nan 0.000 0.433 245 E N -0.331 119.895 120.200 0.043 0.000 2.072 245 E HA -0.270 4.085 4.350 0.007 0.000 0.191 245 E C 2.046 178.613 176.600 -0.055 0.000 0.985 245 E CA 1.173 57.570 56.400 -0.004 0.000 0.801 245 E CB 0.037 29.736 29.700 -0.001 0.000 0.750 245 E HN 0.436 nan 8.360 nan 0.000 0.452 246 E N 0.527 120.688 120.200 -0.064 0.000 2.072 246 E HA -0.185 4.170 4.350 0.007 0.000 0.191 246 E C 2.109 178.684 176.600 -0.042 0.000 0.985 246 E CA 0.867 57.214 56.400 -0.088 0.000 0.801 246 E CB 0.055 29.724 29.700 -0.052 0.000 0.750 246 E HN 0.180 nan 8.360 nan 0.000 0.452 247 M N -0.065 119.496 119.600 -0.064 0.000 2.080 247 M HA -0.209 4.275 4.480 0.007 0.000 0.260 247 M C 2.531 178.852 176.300 0.036 0.000 1.068 247 M CA 1.509 56.812 55.300 0.005 0.000 1.109 247 M CB -0.184 32.398 32.600 -0.031 0.000 1.342 247 M HN 0.044 nan 8.290 nan 0.000 0.405 248 R N -0.086 120.410 120.500 -0.007 0.000 2.083 248 R HA -0.163 4.182 4.340 0.007 0.000 0.237 248 R C 2.198 178.463 176.300 -0.058 0.000 1.137 248 R CA 1.723 57.813 56.100 -0.017 0.000 0.951 248 R CB -0.399 29.888 30.300 -0.023 0.000 0.851 248 R HN 0.420 nan 8.270 nan 0.000 0.434 249 A N -0.209 122.518 122.820 -0.154 0.000 1.948 249 A HA -0.198 4.126 4.320 0.007 0.000 0.220 249 A C 1.475 178.862 177.584 -0.329 0.000 1.177 249 A CA 1.494 53.337 52.037 -0.323 0.000 0.636 249 A CB -0.808 17.865 19.000 -0.545 0.000 0.815 249 A HN 0.592 nan 8.150 nan 0.000 0.449 250 W N 0.108 121.387 121.300 -0.034 0.000 3.290 250 W HA 0.125 4.790 4.660 0.009 0.000 0.287 250 W C 2.320 178.829 176.519 -0.016 0.000 1.288 250 W CA 0.325 57.655 57.345 -0.026 0.000 1.725 250 W CB 0.116 29.556 29.460 -0.034 0.000 1.103 250 W HN 0.454 nan 8.180 nan 0.000 0.670 251 S N 0.073 115.870 115.700 0.161 0.000 2.461 251 S HA -0.061 4.413 4.470 0.007 0.000 0.228 251 S C 0.676 175.323 174.600 0.079 0.000 1.005 251 S CA 0.573 58.835 58.200 0.105 0.000 0.942 251 S CB -0.334 62.902 63.200 0.061 0.000 0.776 251 S HN 0.434 nan 8.310 nan 0.000 0.514 252 E N 0.000 120.239 120.200 0.066 0.000 2.725 252 E HA 0.000 4.354 4.350 0.007 0.000 0.291 252 E CA 0.000 56.429 56.400 0.049 0.000 0.976 252 E CB 0.000 29.712 29.700 0.021 0.000 0.812 252 E HN 0.000 nan 8.360 nan 0.000 0.440