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 2zze_1_A DATA FIRST_RESID 2 DATA SEQUENCE EFIMXTRMFE EEGWIRXXCX VCGXPFWTLD PDRETCGDPP CDEYQFIGKP DATA SEQUENCE GIPRXYTLDE MREXFLRFFE XHEIYPHGRV XRYPVLPRWR DDVLLVGASI DATA SEQUENCE MDFQPWVISG EADPPANPLV ISQPSIRFTD IDNVGITGRH FTIFEMMAHH DATA SEQUENCE AFNYPGXPIY WMDETVELAF EFFTKELXMX PEDITFKENP WAGGGNAGPA DATA SEQUENCE FEVLYRGLEV ATLVFMQYXX APENAPQDQV VVIXGEKYIP METXVVDTGY DATA SEQUENCE GLERLVWMSQ GTPTAYDAVL GYVVEPLXXM AGIEKIDEKI LMENSRLAGM DATA SEQUENCE FDIEDLGDLR YLREQVAKRV GITVEELEKA IRPYELIYAI ADHTKALTFM DATA SEQUENCE LADGVVPSNV XAGYLARLLI RKSIRHLREL GLEVPLSEIV ALHIXELHKT DATA SEQUENCE FPEFXEMEDI ILEMIELEEK XYAETLRRGS DLVRREIAKL KKKGIKEIPV DATA SEQUENCE EXLVTFYESH GLTPEIVXEI AEKEGVKVNI PDNFYSMVAK EAERTXXXXX DATA SEQUENCE XXLVDFELLK DLPDTRRLYY EDPFMXEFDA XVLRVIXDWV ILDATAFYPE DATA SEQUENCE GGGQPYDTGV LIVNGREVXV TNVQXVGXVI IHXVEDPGAF XEGMIVHGXI DATA SEQUENCE DWXRRIQHMR HHTGTHVLMG ALVRVLGRHV WQAGSQLTTD WARLDISHYX DATA SEQUENCE RISEEELXEI EMLANRIVME DRXVTWEWLP RTTAEQXYGF RLYQGGVVPG DATA SEQUENCE REIRVVXIED WDVQAXGGTH LPSTGLVGPI XILRTERIQD GVERIIFACG 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 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.437 176.600 -0.272 0.000 1.382 2 E CA 0.000 56.247 56.400 -0.255 0.000 0.976 2 E CB 0.000 29.427 29.700 -0.455 0.000 0.812 3 F N 2.219 122.217 119.950 0.080 0.000 2.420 3 F HA 0.495 5.028 4.527 0.010 0.000 0.342 3 F C 0.154 176.015 175.800 0.101 0.000 1.113 3 F CA -0.952 57.103 58.000 0.093 0.000 1.059 3 F CB 1.147 40.201 39.000 0.089 0.000 1.128 3 F HN -0.030 nan 8.300 nan 0.000 0.475 4 I N 4.900 125.647 120.570 0.295 0.000 2.337 4 I HA 0.268 4.443 4.170 0.010 0.000 0.291 4 I C 0.085 176.317 176.117 0.191 0.000 1.046 4 I CA 0.406 61.842 61.300 0.226 0.000 1.324 4 I CB 0.243 38.345 38.000 0.170 0.000 1.409 4 I HN 0.523 nan 8.210 nan 0.000 0.494 8 R N 0.352 120.647 120.500 -0.342 0.000 2.096 8 R HA -0.086 4.260 4.340 0.010 0.000 0.240 8 R C 2.379 178.546 176.300 -0.221 0.000 1.139 8 R CA 2.069 58.043 56.100 -0.210 0.000 0.952 8 R CB -0.414 29.793 30.300 -0.155 0.000 0.854 8 R HN 0.772 nan 8.270 nan 0.000 0.436 9 M N 0.011 119.390 119.600 -0.367 0.000 2.080 9 M HA -0.200 4.286 4.480 0.010 0.000 0.260 9 M C 1.598 177.798 176.300 -0.166 0.000 1.068 9 M CA 1.778 56.884 55.300 -0.324 0.000 1.109 9 M CB -0.150 32.133 32.600 -0.527 0.000 1.342 9 M HN 0.141 nan 8.290 nan 0.000 0.405 10 F N 0.722 120.372 119.950 -0.500 0.000 2.095 10 F HA -0.213 4.320 4.527 0.009 0.000 0.298 10 F C 2.544 178.350 175.800 0.011 0.000 1.104 10 F CA 1.790 59.566 58.000 -0.373 0.000 1.232 10 F CB -1.475 36.969 39.000 -0.926 0.000 0.987 10 F HN 0.354 nan 8.300 nan 0.000 0.475 11 E N 0.332 120.607 120.200 0.125 0.000 2.051 11 E HA -0.209 4.146 4.350 0.010 0.000 0.192 11 E C 1.985 178.652 176.600 0.113 0.000 0.991 11 E CA 1.537 58.014 56.400 0.128 0.000 0.799 11 E CB -0.089 29.646 29.700 0.058 0.000 0.748 11 E HN 0.487 nan 8.360 nan 0.000 0.449 12 E N -0.372 119.871 120.200 0.071 0.000 2.158 12 E HA -0.100 4.256 4.350 0.010 0.000 0.191 12 E C 1.215 177.867 176.600 0.087 0.000 0.982 12 E CA 0.595 57.031 56.400 0.060 0.000 0.823 12 E CB 0.242 29.956 29.700 0.024 0.000 0.766 12 E HN 0.202 nan 8.360 nan 0.000 0.468 13 E N -0.515 119.776 120.200 0.151 0.000 2.501 13 E HA 0.117 4.473 4.350 0.010 0.000 0.200 13 E C 0.679 177.331 176.600 0.086 0.000 1.016 13 E CA 0.234 56.717 56.400 0.138 0.000 0.921 13 E CB 1.194 30.998 29.700 0.174 0.000 1.034 13 E HN 0.309 nan 8.360 nan 0.000 0.468 14 G N 1.442 110.326 108.800 0.139 0.000 2.137 14 G HA2 -0.247 3.719 3.960 0.010 0.000 0.237 14 G HA3 -0.247 3.719 3.960 0.010 0.000 0.237 14 G C -0.350 174.585 174.900 0.058 0.000 1.002 14 G CA -0.149 44.992 45.100 0.068 0.000 0.702 14 G HN 0.151 nan 8.290 nan 0.000 0.515 15 W N -0.195 121.160 121.300 0.093 0.000 2.190 15 W HA 0.622 5.288 4.660 0.009 0.000 0.330 15 W C 0.587 177.212 176.519 0.177 0.000 1.299 15 W CA -0.609 56.805 57.345 0.116 0.000 1.215 15 W CB 0.493 29.982 29.460 0.048 0.000 1.147 15 W HN -0.006 nan 8.180 nan 0.000 0.563 16 I N 3.990 124.713 120.570 0.254 0.000 2.378 16 I HA 0.324 4.500 4.170 0.010 0.000 0.291 16 I C 0.553 176.469 176.117 -0.336 0.000 0.992 16 I CA -1.464 59.834 61.300 -0.003 0.000 1.154 16 I CB 0.974 38.933 38.000 -0.069 0.000 1.315 16 I HN 0.484 nan 8.210 nan 0.000 0.448 23 C N 1.670 120.980 119.300 0.017 0.000 2.799 23 C HA 0.695 5.161 4.460 0.010 0.000 0.267 23 C C 1.401 176.418 174.990 0.044 0.000 1.257 23 C CA 0.018 59.050 59.018 0.024 0.000 1.702 23 C CB -0.811 26.943 27.740 0.024 0.000 1.934 23 C HN 1.738 nan 8.230 nan 0.000 0.594 27 F N -1.616 118.328 119.950 -0.011 0.000 2.668 27 F HA 0.844 5.376 4.527 0.010 0.000 0.309 27 F C -2.092 173.660 175.800 -0.079 0.000 1.117 27 F CA -1.004 57.058 58.000 0.103 0.000 0.951 27 F CB 1.190 40.275 39.000 0.141 0.000 1.323 27 F HN 0.220 nan 8.300 nan 0.000 0.451 28 W N 0.972 122.352 121.300 0.133 0.000 2.573 28 W HA 0.706 5.372 4.660 0.010 0.000 0.326 28 W C -0.359 176.397 176.519 0.395 0.000 1.049 28 W CA -0.755 56.554 57.345 -0.060 0.000 1.220 28 W CB 2.159 31.186 29.460 -0.723 0.000 1.373 28 W HN 0.783 nan 8.180 nan 0.000 0.507 29 T N 2.800 117.673 114.554 0.531 0.000 2.900 29 T HA 0.388 4.744 4.350 0.010 0.000 0.303 29 T C 0.073 174.800 174.700 0.045 0.000 1.142 29 T CA -0.535 61.830 62.100 0.442 0.000 1.007 29 T CB 1.100 70.213 68.868 0.409 0.000 1.156 29 T HN 0.452 nan 8.240 nan 0.000 0.490 30 L N 1.418 122.442 121.223 -0.332 0.000 2.567 30 L HA 0.321 4.667 4.340 0.010 0.000 0.225 30 L C 0.533 177.294 176.870 -0.182 0.000 1.119 30 L CA 0.202 54.763 54.840 -0.465 0.000 0.871 30 L CB 0.282 41.909 42.059 -0.720 0.000 1.036 30 L HN 0.551 nan 8.230 nan 0.000 0.459 31 D N 0.993 121.354 120.400 -0.066 0.000 2.347 31 D HA 0.116 4.762 4.640 0.010 0.000 0.235 31 D C -1.509 174.794 176.300 0.004 0.000 1.149 31 D CA -2.203 51.787 54.000 -0.016 0.000 0.850 31 D CB 1.576 42.390 40.800 0.025 0.000 1.061 31 D HN -0.079 nan 8.370 nan 0.000 0.487 32 P HA -0.024 nan 4.420 nan 0.000 0.226 32 P C 0.033 177.338 177.300 0.008 0.000 1.153 32 P CA 0.603 63.698 63.100 -0.008 0.000 0.777 32 P CB 0.569 32.259 31.700 -0.017 0.000 0.794 33 D N -0.907 119.502 120.400 0.015 0.000 2.363 33 D HA 0.042 4.688 4.640 0.010 0.000 0.214 33 D C 0.856 177.182 176.300 0.043 0.000 1.093 33 D CA 0.024 54.036 54.000 0.021 0.000 0.837 33 D CB 0.080 40.886 40.800 0.009 0.000 0.948 33 D HN 0.200 nan 8.370 nan 0.000 0.507 34 R N 1.596 122.142 120.500 0.076 0.000 2.298 34 R HA 0.072 4.418 4.340 0.010 0.000 0.310 34 R C 0.471 176.897 176.300 0.209 0.000 1.068 34 R CA 0.135 56.310 56.100 0.124 0.000 0.957 34 R CB 0.607 31.011 30.300 0.174 0.000 1.003 34 R HN -0.206 nan 8.270 nan 0.000 0.454 35 E N 2.292 122.593 120.200 0.169 0.000 2.539 35 E HA 0.052 4.408 4.350 0.010 0.000 0.215 35 E C -0.126 176.614 176.600 0.233 0.000 0.965 35 E CA 0.271 56.801 56.400 0.217 0.000 1.019 35 E CB 1.276 31.036 29.700 0.100 0.000 1.059 35 E HN 0.747 nan 8.360 nan 0.000 0.496 36 T N -1.745 112.812 114.554 0.004 0.000 2.924 36 T HA 0.224 4.580 4.350 0.010 0.000 0.291 36 T C 1.462 175.622 174.700 -0.901 0.000 1.045 36 T CA -0.609 61.337 62.100 -0.257 0.000 1.015 36 T CB 1.542 70.318 68.868 -0.154 0.000 1.103 36 T HN 0.128 nan 8.240 nan 0.000 0.496 37 C N -0.393 118.392 119.300 -0.858 0.000 2.456 37 C HA 0.537 5.002 4.460 0.010 0.000 0.279 37 C C 2.268 176.937 174.990 -0.535 0.000 1.427 37 C CA 0.227 58.610 59.018 -1.058 0.000 1.778 37 C CB -1.818 25.710 27.740 -0.353 0.000 1.842 37 C HN 1.714 nan 8.230 nan 0.000 0.531 38 G N 0.340 108.941 108.800 -0.330 0.000 2.176 38 G HA2 -0.140 3.825 3.960 0.010 0.000 0.232 38 G HA3 -0.140 3.825 3.960 0.010 0.000 0.232 38 G C -0.495 174.360 174.900 -0.074 0.000 0.986 38 G CA 0.392 45.392 45.100 -0.165 0.000 0.643 38 G HN 0.630 nan 8.290 nan 0.000 0.522 39 D N 1.016 121.377 120.400 -0.065 0.000 2.278 39 D HA 0.585 5.231 4.640 0.010 0.000 0.245 39 D C -2.300 173.993 176.300 -0.011 0.000 1.052 39 D CA -1.862 52.139 54.000 0.002 0.000 0.834 39 D CB 2.054 42.870 40.800 0.027 0.000 1.194 39 D HN 0.030 nan 8.370 nan 0.000 0.481 40 P HA 0.091 nan 4.420 nan 0.000 0.266 40 P C -1.964 175.313 177.300 -0.038 0.000 1.193 40 P CA -0.812 62.260 63.100 -0.046 0.000 0.770 40 P CB 0.225 31.872 31.700 -0.090 0.000 0.836 41 P HA 0.050 nan 4.420 nan 0.000 0.253 41 P C 0.207 177.466 177.300 -0.069 0.000 1.260 41 P CA 0.315 63.366 63.100 -0.081 0.000 0.800 41 P CB -0.389 31.250 31.700 -0.101 0.000 1.162 42 C N -0.618 118.645 119.300 -0.061 0.000 2.440 42 C HA 0.063 4.529 4.460 0.010 0.000 0.278 42 C C 1.081 176.027 174.990 -0.073 0.000 1.295 42 C CA 0.635 59.613 59.018 -0.066 0.000 1.738 42 C CB -0.894 26.799 27.740 -0.078 0.000 1.987 42 C HN 0.296 nan 8.230 nan 0.000 0.492 43 D N -0.974 119.383 120.400 -0.072 0.000 2.523 43 D HA 0.351 4.997 4.640 0.010 0.000 0.236 43 D C -0.924 175.342 176.300 -0.056 0.000 1.094 43 D CA -0.296 53.666 54.000 -0.064 0.000 0.942 43 D CB 1.781 42.539 40.800 -0.070 0.000 1.447 43 D HN 0.297 nan 8.370 nan 0.000 0.479 44 E N -0.137 120.036 120.200 -0.045 0.000 2.249 44 E HA 0.241 4.597 4.350 0.010 0.000 0.263 44 E C -0.718 175.914 176.600 0.053 0.000 0.950 44 E CA -0.692 55.670 56.400 -0.062 0.000 0.827 44 E CB 1.131 30.792 29.700 -0.065 0.000 1.220 44 E HN 0.232 nan 8.360 nan 0.000 0.411 45 Y N 1.802 122.069 120.300 -0.056 0.000 2.650 45 Y HA -0.022 4.534 4.550 0.010 0.000 0.331 45 Y C 0.782 176.590 175.900 -0.154 0.000 1.165 45 Y CA 0.356 58.401 58.100 -0.091 0.000 1.473 45 Y CB 0.395 38.713 38.460 -0.236 0.000 1.224 45 Y HN 0.536 nan 8.280 nan 0.000 0.533 46 Q N 2.270 122.114 119.800 0.074 0.000 2.194 46 Q HA 0.121 4.467 4.340 0.010 0.000 0.214 46 Q C 0.495 176.468 176.000 -0.046 0.000 0.838 46 Q CA -0.057 55.730 55.803 -0.026 0.000 0.972 46 Q CB 0.275 28.985 28.738 -0.045 0.000 1.131 46 Q HN 0.756 nan 8.270 nan 0.000 0.498 47 F N -2.293 117.530 119.950 -0.212 0.000 2.682 47 F HA 0.443 4.975 4.527 0.009 0.000 0.308 47 F C 0.254 175.925 175.800 -0.214 0.000 1.093 47 F CA -0.711 57.143 58.000 -0.242 0.000 1.244 47 F CB 0.246 39.041 39.000 -0.342 0.000 1.052 47 F HN -0.229 nan 8.300 nan 0.000 0.573 48 I N 2.517 122.627 120.570 -0.766 0.000 2.421 48 I HA 0.345 4.521 4.170 0.010 0.000 0.291 48 I C 1.375 177.380 176.117 -0.187 0.000 1.089 48 I CA 0.749 61.749 61.300 -0.500 0.000 1.354 48 I CB 0.246 37.980 38.000 -0.444 0.000 1.413 48 I HN 0.586 nan 8.210 nan 0.000 0.513 49 G N 4.984 113.736 108.800 -0.081 0.000 2.176 49 G HA2 -0.287 3.679 3.960 0.010 0.000 0.253 49 G HA3 -0.287 3.679 3.960 0.010 0.000 0.253 49 G C 0.238 175.130 174.900 -0.013 0.000 0.979 49 G CA 0.070 45.154 45.100 -0.025 0.000 0.641 49 G HN 0.565 nan 8.290 nan 0.000 0.530 50 K N 0.746 121.136 120.400 -0.017 0.000 2.896 50 K HA 0.528 4.853 4.320 0.010 0.000 0.228 50 K C -2.802 173.829 176.600 0.052 0.000 1.151 50 K CA -2.250 54.042 56.287 0.009 0.000 1.035 50 K CB 1.151 33.643 32.500 -0.013 0.000 1.263 50 K HN 0.049 nan 8.250 nan 0.000 0.574 51 P HA 0.038 nan 4.420 nan 0.000 0.261 51 P C 0.726 178.074 177.300 0.080 0.000 1.173 51 P CA 0.366 63.525 63.100 0.099 0.000 0.760 51 P CB 0.974 32.729 31.700 0.091 0.000 0.783 52 G N 2.877 111.724 108.800 0.080 0.000 2.777 52 G HA2 0.061 4.027 3.960 0.010 0.000 0.211 52 G HA3 0.061 4.027 3.960 0.010 0.000 0.211 52 G C 0.374 175.377 174.900 0.172 0.000 1.149 52 G CA 0.049 45.231 45.100 0.136 0.000 0.785 52 G HN 0.431 nan 8.290 nan 0.000 0.536 53 I N 1.497 122.107 120.570 0.067 0.000 2.354 53 I HA 0.250 4.426 4.170 0.010 0.000 0.292 53 I C -1.286 174.870 176.117 0.066 0.000 0.989 53 I CA -2.316 59.000 61.300 0.026 0.000 1.188 53 I CB 2.827 40.823 38.000 -0.007 0.000 1.342 53 I HN -0.126 nan 8.210 nan 0.000 0.457 54 P HA -0.071 nan 4.420 nan 0.000 0.226 54 P C -0.060 177.266 177.300 0.043 0.000 1.153 54 P CA 0.954 64.079 63.100 0.042 0.000 0.777 54 P CB 0.155 31.868 31.700 0.022 0.000 0.794 58 T N -1.059 113.625 114.554 0.216 0.000 2.788 58 T HA 0.343 4.698 4.350 0.010 0.000 0.280 58 T C 0.877 175.700 174.700 0.205 0.000 0.984 58 T CA -0.580 61.629 62.100 0.182 0.000 0.972 58 T CB 0.865 69.806 68.868 0.123 0.000 1.039 58 T HN 0.503 nan 8.240 nan 0.000 0.530 59 L N 0.644 121.972 121.223 0.174 0.000 2.012 59 L HA -0.034 4.311 4.340 0.010 0.000 0.210 59 L C 2.467 179.426 176.870 0.150 0.000 1.073 59 L CA 1.811 56.750 54.840 0.164 0.000 0.748 59 L CB -0.800 41.364 42.059 0.175 0.000 0.891 59 L HN 0.694 nan 8.230 nan 0.000 0.431 60 D N -0.633 119.841 120.400 0.123 0.000 2.117 60 D HA -0.173 4.472 4.640 0.010 0.000 0.197 60 D C 2.161 178.534 176.300 0.121 0.000 0.987 60 D CA 1.104 55.157 54.000 0.088 0.000 0.829 60 D CB -0.015 40.810 40.800 0.042 0.000 0.961 60 D HN 0.426 nan 8.370 nan 0.000 0.460 61 E N -0.231 120.068 120.200 0.164 0.000 2.051 61 E HA -0.172 4.184 4.350 0.010 0.000 0.192 61 E C 1.941 178.752 176.600 0.353 0.000 0.991 61 E CA 0.807 57.349 56.400 0.237 0.000 0.799 61 E CB -0.081 29.750 29.700 0.218 0.000 0.748 61 E HN 0.099 nan 8.360 nan 0.000 0.449 62 M N 0.994 120.801 119.600 0.345 0.000 2.099 62 M HA -0.140 4.345 4.480 0.010 0.000 0.262 62 M C 2.115 178.526 176.300 0.185 0.000 1.067 62 M CA 1.603 57.013 55.300 0.184 0.000 1.124 62 M CB -0.112 32.533 32.600 0.075 0.000 1.353 62 M HN -0.149 nan 8.290 nan 0.000 0.410 63 R N -0.007 120.585 120.500 0.155 0.000 2.083 63 R HA -0.156 4.190 4.340 0.010 0.000 0.237 63 R C 0.864 177.271 176.300 0.179 0.000 1.137 63 R CA 1.439 57.618 56.100 0.132 0.000 0.951 63 R CB -0.312 30.047 30.300 0.099 0.000 0.851 63 R HN 0.397 nan 8.270 nan 0.000 0.434 67 L N 1.248 122.648 121.223 0.295 0.000 2.012 67 L HA -0.160 4.186 4.340 0.010 0.000 0.210 67 L C 2.499 179.425 176.870 0.093 0.000 1.073 67 L CA 2.153 57.113 54.840 0.199 0.000 0.748 67 L CB -0.607 41.567 42.059 0.191 0.000 0.891 67 L HN 0.235 nan 8.230 nan 0.000 0.431 68 R N -0.414 120.146 120.500 0.099 0.000 2.081 68 R HA -0.218 4.128 4.340 0.010 0.000 0.235 68 R C 2.389 178.697 176.300 0.013 0.000 1.131 68 R CA 1.560 57.697 56.100 0.063 0.000 0.960 68 R CB -0.340 30.010 30.300 0.083 0.000 0.856 68 R HN 0.198 nan 8.270 nan 0.000 0.436 69 F N 0.456 120.311 119.950 -0.158 0.000 2.065 69 F HA -0.229 4.304 4.527 0.009 0.000 0.298 69 F C 1.469 176.999 175.800 -0.450 0.000 1.112 69 F CA 1.700 59.506 58.000 -0.323 0.000 1.212 69 F CB -0.480 38.245 39.000 -0.459 0.000 0.975 69 F HN -0.042 nan 8.300 nan 0.000 0.476 70 F N 0.490 120.114 119.950 -0.543 0.000 2.206 70 F HA -0.002 4.530 4.527 0.009 0.000 0.298 70 F C 1.731 177.349 175.800 -0.304 0.000 1.090 70 F CA 1.096 58.667 58.000 -0.716 0.000 1.323 70 F CB -0.999 37.389 39.000 -1.019 0.000 1.028 70 F HN 0.006 nan 8.300 nan 0.000 0.492 74 E N 3.392 123.322 120.200 -0.450 0.000 2.216 74 E HA -0.056 4.300 4.350 0.010 0.000 0.192 74 E C 1.411 177.913 176.600 -0.164 0.000 0.988 74 E CA 0.822 57.069 56.400 -0.256 0.000 0.834 74 E CB 0.828 30.361 29.700 -0.279 0.000 0.772 74 E HN 0.389 nan 8.360 nan 0.000 0.479 75 I N -0.619 119.903 120.570 -0.079 0.000 2.729 75 I HA -0.061 4.115 4.170 0.010 0.000 0.256 75 I C 0.489 176.345 176.117 -0.435 0.000 1.115 75 I CA 0.883 62.047 61.300 -0.226 0.000 1.446 75 I CB -0.388 37.482 38.000 -0.217 0.000 1.176 75 I HN -0.010 nan 8.210 nan 0.000 0.446 76 Y N 3.375 123.796 120.300 0.201 0.000 2.747 76 Y HA 0.388 4.944 4.550 0.009 0.000 0.362 76 Y C -2.276 173.688 175.900 0.106 0.000 1.026 76 Y CA -3.160 54.952 58.100 0.019 0.000 1.135 76 Y CB 0.008 38.356 38.460 -0.186 0.000 1.175 76 Y HN 0.025 nan 8.280 nan 0.000 0.643 77 P HA 0.053 nan 4.420 nan 0.000 0.268 77 P C -0.605 176.807 177.300 0.187 0.000 1.204 77 P CA 0.301 63.506 63.100 0.174 0.000 0.768 77 P CB 1.046 32.789 31.700 0.071 0.000 0.842 78 H N -0.040 119.082 119.070 0.086 0.000 2.492 78 H HA 0.501 5.063 4.556 0.009 0.000 0.345 78 H C 0.855 176.232 175.328 0.082 0.000 1.136 78 H CA -0.226 55.884 56.048 0.104 0.000 1.202 78 H CB 1.008 30.836 29.762 0.109 0.000 1.524 78 H HN 0.465 nan 8.280 nan 0.000 0.506 79 G N 2.248 111.150 108.800 0.169 0.000 2.358 79 G HA2 0.152 4.117 3.960 0.010 0.000 0.273 79 G HA3 0.152 4.117 3.960 0.010 0.000 0.273 79 G C -0.103 174.891 174.900 0.158 0.000 1.215 79 G CA -0.597 44.583 45.100 0.133 0.000 0.910 79 G HN 0.584 nan 8.290 nan 0.000 0.467 80 R N 2.671 123.253 120.500 0.137 0.000 2.401 80 R HA 0.343 4.688 4.340 0.010 0.000 0.299 80 R C -0.311 176.079 176.300 0.151 0.000 1.064 80 R CA -0.227 55.958 56.100 0.142 0.000 1.000 80 R CB 0.499 30.867 30.300 0.113 0.000 0.973 80 R HN 0.273 nan 8.270 nan 0.000 0.438 84 Y N 1.601 121.989 120.300 0.145 0.000 2.316 84 Y HA 0.522 5.078 4.550 0.009 0.000 0.324 84 Y C -1.746 174.296 175.900 0.237 0.000 1.267 84 Y CA -2.458 55.746 58.100 0.174 0.000 1.311 84 Y CB 0.602 39.013 38.460 -0.082 0.000 1.267 84 Y HN 0.563 nan 8.280 nan 0.000 0.516 85 P HA -0.016 nan 4.420 nan 0.000 0.269 85 P C 0.792 178.239 177.300 0.246 0.000 1.215 85 P CA 0.076 63.356 63.100 0.299 0.000 0.780 85 P CB 1.011 32.846 31.700 0.225 0.000 0.898 86 V N -0.072 119.938 119.914 0.160 0.000 2.970 86 V HA -0.028 4.098 4.120 0.010 0.000 0.260 86 V C 1.052 177.133 176.094 -0.020 0.000 1.100 86 V CA 0.926 63.269 62.300 0.071 0.000 1.122 86 V CB -1.118 30.734 31.823 0.049 0.000 0.721 86 V HN 0.278 nan 8.190 nan 0.000 0.483 87 L N 2.607 123.790 121.223 -0.067 0.000 2.278 87 L HA 0.401 4.746 4.340 0.010 0.000 0.287 87 L C -2.236 174.370 176.870 -0.441 0.000 1.072 87 L CA -1.690 53.016 54.840 -0.224 0.000 0.819 87 L CB 1.496 43.410 42.059 -0.243 0.000 1.176 87 L HN 0.149 nan 8.230 nan 0.000 0.435 88 P HA 0.162 nan 4.420 nan 0.000 0.231 88 P C 0.145 176.659 177.300 -1.309 0.000 1.811 88 P CA -0.532 61.639 63.100 -1.550 0.000 1.051 88 P CB 0.257 31.260 31.700 -1.162 0.000 1.951 89 R N 0.981 120.959 120.500 -0.869 0.000 2.200 89 R HA -0.142 4.204 4.340 0.010 0.000 0.234 89 R C 1.270 177.500 176.300 -0.117 0.000 1.127 89 R CA 1.293 57.223 56.100 -0.283 0.000 0.989 89 R CB -0.962 29.394 30.300 0.093 0.000 0.869 89 R HN 0.611 nan 8.270 nan 0.000 0.459 90 W N 1.974 123.177 121.300 -0.162 0.000 3.256 90 W HA 0.149 4.815 4.660 0.009 0.000 0.269 90 W C 0.285 176.847 176.519 0.071 0.000 1.310 90 W CA -0.684 56.563 57.345 -0.162 0.000 1.673 90 W CB 0.163 29.661 29.460 0.062 0.000 1.115 90 W HN -0.115 nan 8.180 nan 0.000 0.686 91 R N -0.146 120.126 120.500 -0.379 0.000 2.643 91 R HA 0.260 4.606 4.340 0.010 0.000 0.269 91 R C -0.843 175.316 176.300 -0.235 0.000 1.037 91 R CA -0.697 55.280 56.100 -0.205 0.000 0.894 91 R CB 1.063 31.208 30.300 -0.259 0.000 1.238 91 R HN -0.222 nan 8.270 nan 0.000 0.459 92 D N 0.580 120.909 120.400 -0.119 0.000 2.369 92 D HA -0.030 4.616 4.640 0.010 0.000 0.211 92 D C 0.318 176.553 176.300 -0.108 0.000 1.077 92 D CA 0.430 54.370 54.000 -0.100 0.000 0.842 92 D CB 0.412 41.193 40.800 -0.031 0.000 0.947 92 D HN 0.659 nan 8.370 nan 0.000 0.509 93 D N 0.174 120.498 120.400 -0.127 0.000 2.366 93 D HA -0.050 4.595 4.640 0.010 0.000 0.205 93 D C 0.893 177.130 176.300 -0.105 0.000 1.022 93 D CA 0.155 54.092 54.000 -0.105 0.000 0.868 93 D CB 0.278 41.019 40.800 -0.098 0.000 0.953 93 D HN 0.096 nan 8.370 nan 0.000 0.514 94 V N -2.156 117.677 119.914 -0.135 0.000 2.960 94 V HA 0.417 4.542 4.120 0.010 0.000 0.315 94 V C 1.332 177.338 176.094 -0.147 0.000 1.087 94 V CA -1.028 61.201 62.300 -0.118 0.000 0.982 94 V CB 2.135 33.899 31.823 -0.098 0.000 1.039 94 V HN -0.101 nan 8.190 nan 0.000 0.437 95 L N 1.100 122.254 121.223 -0.115 0.000 2.162 95 L HA 0.350 4.696 4.340 0.010 0.000 0.205 95 L C 0.266 177.062 176.870 -0.124 0.000 1.086 95 L CA 1.112 55.879 54.840 -0.122 0.000 0.778 95 L CB 0.036 42.033 42.059 -0.103 0.000 0.928 95 L HN 0.509 nan 8.230 nan 0.000 0.446 96 L N -1.258 119.913 121.223 -0.086 0.000 2.424 96 L HA 0.367 4.712 4.340 0.010 0.000 0.258 96 L C -0.693 176.145 176.870 -0.052 0.000 0.995 96 L CA -0.831 53.971 54.840 -0.063 0.000 0.821 96 L CB 2.865 44.936 42.059 0.020 0.000 1.383 96 L HN -0.391 nan 8.230 nan 0.000 0.410 97 V N 1.668 121.553 119.914 -0.048 0.000 2.458 97 V HA 0.071 4.197 4.120 0.010 0.000 0.287 97 V C 1.087 177.167 176.094 -0.024 0.000 1.009 97 V CA 1.002 63.296 62.300 -0.010 0.000 1.091 97 V CB 0.757 32.606 31.823 0.043 0.000 0.960 97 V HN 1.031 nan 8.190 nan 0.000 0.476 98 G N 3.376 112.184 108.800 0.014 0.000 3.044 98 G HA2 0.596 4.562 3.960 0.010 0.000 0.223 98 G HA3 0.596 4.562 3.960 0.010 0.000 0.223 98 G C 0.261 175.208 174.900 0.079 0.000 1.123 98 G CA 0.706 45.839 45.100 0.055 0.000 0.765 98 G HN 1.030 nan 8.290 nan 0.000 0.546 99 A N -0.383 122.464 122.820 0.045 0.000 2.608 99 A HA 0.596 4.922 4.320 0.010 0.000 0.292 99 A C 1.166 178.771 177.584 0.036 0.000 1.066 99 A CA 0.531 52.611 52.037 0.072 0.000 0.676 99 A CB 0.322 19.407 19.000 0.141 0.000 1.277 99 A HN 0.613 nan 8.150 nan 0.000 0.413 100 S N 0.558 116.301 115.700 0.071 0.000 2.383 100 S HA -0.180 4.296 4.470 0.010 0.000 0.229 100 S C 1.645 176.288 174.600 0.072 0.000 1.030 100 S CA 1.919 60.182 58.200 0.105 0.000 1.002 100 S CB -0.505 62.864 63.200 0.281 0.000 0.829 100 S HN 1.208 nan 8.310 nan 0.000 0.467 101 I N 1.794 122.438 120.570 0.123 0.000 2.567 101 I HA 0.006 4.182 4.170 0.010 0.000 0.257 101 I C 2.226 178.354 176.117 0.019 0.000 1.184 101 I CA 1.007 62.340 61.300 0.054 0.000 1.451 101 I CB -0.529 37.516 38.000 0.075 0.000 1.089 101 I HN 0.332 nan 8.210 nan 0.000 0.441 102 M N -0.499 119.103 119.600 0.004 0.000 2.374 102 M HA -0.167 4.319 4.480 0.010 0.000 0.264 102 M C 1.321 177.674 176.300 0.087 0.000 1.067 102 M CA 1.082 56.421 55.300 0.065 0.000 1.103 102 M CB -0.531 32.121 32.600 0.086 0.000 1.402 102 M HN 0.131 nan 8.290 nan 0.000 0.444 103 D N 0.320 120.487 120.400 -0.389 0.000 2.218 103 D HA -0.115 4.531 4.640 0.010 0.000 0.204 103 D C 0.860 176.483 176.300 -1.128 0.000 0.976 103 D CA 1.358 54.667 54.000 -1.152 0.000 0.853 103 D CB -0.075 39.281 40.800 -2.407 0.000 0.939 103 D HN 0.367 nan 8.370 nan 0.000 0.481 104 F N 0.014 119.896 119.950 -0.113 0.000 2.698 104 F HA 0.339 4.872 4.527 0.009 0.000 0.304 104 F C 0.417 176.242 175.800 0.041 0.000 1.108 104 F CA -0.484 57.475 58.000 -0.069 0.000 1.263 104 F CB 0.033 38.983 39.000 -0.084 0.000 1.013 104 F HN -0.315 nan 8.300 nan 0.000 0.532 105 Q N 1.880 121.785 119.800 0.174 0.000 2.345 105 Q HA 0.317 4.662 4.340 0.010 0.000 0.268 105 Q C -1.878 174.146 176.000 0.040 0.000 1.054 105 Q CA -2.011 53.853 55.803 0.101 0.000 0.835 105 Q CB 2.481 31.267 28.738 0.080 0.000 1.339 105 Q HN -0.169 nan 8.270 nan 0.000 0.447 106 P HA -0.067 nan 4.420 nan 0.000 0.240 106 P C 0.079 177.262 177.300 -0.195 0.000 1.190 106 P CA 0.652 63.545 63.100 -0.346 0.000 0.781 106 P CB 0.234 31.557 31.700 -0.629 0.000 0.931 107 W N 0.023 121.418 121.300 0.159 0.000 2.409 107 W HA -0.061 4.605 4.660 0.009 0.000 0.299 107 W C 2.305 178.889 176.519 0.109 0.000 1.203 107 W CA 0.127 57.553 57.345 0.134 0.000 1.298 107 W CB -1.390 28.162 29.460 0.154 0.000 1.127 107 W HN -0.291 nan 8.180 nan 0.000 0.528 108 V N 1.004 121.094 119.914 0.295 0.000 2.358 108 V HA -0.281 3.844 4.120 0.010 0.000 0.246 108 V C 1.967 178.149 176.094 0.147 0.000 1.047 108 V CA 1.570 63.940 62.300 0.118 0.000 1.035 108 V CB -0.800 30.978 31.823 -0.076 0.000 0.658 108 V HN 0.176 nan 8.190 nan 0.000 0.452 109 I N 1.185 121.860 120.570 0.175 0.000 2.286 109 I HA -0.214 3.962 4.170 0.010 0.000 0.248 109 I C 2.609 178.873 176.117 0.244 0.000 1.115 109 I CA 1.858 63.290 61.300 0.220 0.000 1.392 109 I CB -0.465 37.649 38.000 0.190 0.000 1.065 109 I HN 0.497 nan 8.210 nan 0.000 0.418 110 S N 0.337 116.154 115.700 0.195 0.000 2.453 110 S HA 0.027 4.503 4.470 0.010 0.000 0.231 110 S C 1.748 176.460 174.600 0.186 0.000 1.005 110 S CA 0.712 59.015 58.200 0.172 0.000 0.949 110 S CB 0.078 63.356 63.200 0.130 0.000 0.774 110 S HN 0.628 nan 8.310 nan 0.000 0.510 111 G N 0.730 109.650 108.800 0.200 0.000 2.157 111 G HA2 -0.268 3.698 3.960 0.010 0.000 0.239 111 G HA3 -0.268 3.698 3.960 0.010 0.000 0.239 111 G C 0.433 175.329 174.900 -0.007 0.000 0.982 111 G CA 0.409 45.492 45.100 -0.028 0.000 0.650 111 G HN 0.544 nan 8.290 nan 0.000 0.527 112 E N -0.152 120.131 120.200 0.138 0.000 2.216 112 E HA 0.452 4.808 4.350 0.010 0.000 0.192 112 E C 1.470 178.158 176.600 0.146 0.000 0.988 112 E CA 0.967 57.475 56.400 0.180 0.000 0.834 112 E CB 0.035 29.957 29.700 0.371 0.000 0.772 112 E HN 0.882 nan 8.360 nan 0.000 0.479 113 A N 0.782 123.706 122.820 0.172 0.000 2.355 113 A HA 0.355 4.681 4.320 0.010 0.000 0.324 113 A C -1.107 176.502 177.584 0.043 0.000 1.117 113 A CA -0.847 51.263 52.037 0.122 0.000 0.785 113 A CB 1.075 20.201 19.000 0.211 0.000 1.254 113 A HN 0.005 nan 8.150 nan 0.000 0.453 114 D N 2.243 122.650 120.400 0.011 0.000 2.382 114 D HA 0.385 5.031 4.640 0.010 0.000 0.245 114 D C -2.364 173.924 176.300 -0.022 0.000 1.120 114 D CA -0.782 53.207 54.000 -0.018 0.000 0.890 114 D CB 0.623 41.416 40.800 -0.012 0.000 1.201 114 D HN 0.193 nan 8.370 nan 0.000 0.433 115 P HA 0.096 nan 4.420 nan 0.000 0.269 115 P C -1.871 175.408 177.300 -0.034 0.000 1.209 115 P CA -0.981 61.984 63.100 -0.224 0.000 0.776 115 P CB 0.186 31.671 31.700 -0.359 0.000 0.876 116 P HA -0.031 nan 4.420 nan 0.000 0.218 116 P C -0.047 177.300 177.300 0.080 0.000 1.149 116 P CA 1.540 64.704 63.100 0.106 0.000 0.817 116 P CB 0.171 32.008 31.700 0.229 0.000 0.785 117 A N -1.447 121.416 122.820 0.072 0.000 2.594 117 A HA 0.702 5.028 4.320 0.010 0.000 0.291 117 A C -1.415 176.218 177.584 0.082 0.000 1.105 117 A CA -0.401 51.680 52.037 0.074 0.000 0.694 117 A CB 1.157 20.213 19.000 0.092 0.000 1.291 117 A HN -0.081 nan 8.150 nan 0.000 0.410 118 N N 1.087 119.830 118.700 0.073 0.000 2.599 118 N HA 0.533 5.278 4.740 0.010 0.000 0.283 118 N C -3.055 172.459 175.510 0.007 0.000 1.160 118 N CA -0.845 52.252 53.050 0.077 0.000 0.869 118 N CB 2.180 40.747 38.487 0.133 0.000 1.448 118 N HN 0.526 nan 8.380 nan 0.000 0.535 119 P HA 0.438 nan 4.420 nan 0.000 0.276 119 P C -0.930 176.342 177.300 -0.047 0.000 1.252 119 P CA -0.614 62.386 63.100 -0.166 0.000 0.802 119 P CB 1.034 32.482 31.700 -0.419 0.000 1.035 120 L N -0.591 120.695 121.223 0.104 0.000 2.333 120 L HA 0.859 5.204 4.340 0.010 0.000 0.263 120 L C -0.843 176.202 176.870 0.293 0.000 1.014 120 L CA -1.144 53.818 54.840 0.204 0.000 0.820 120 L CB 1.466 43.614 42.059 0.148 0.000 1.352 120 L HN 0.192 nan 8.230 nan 0.000 0.421 121 V N 2.932 122.983 119.914 0.228 0.000 2.735 121 V HA 0.778 4.904 4.120 0.010 0.000 0.310 121 V C -1.054 175.148 176.094 0.181 0.000 1.061 121 V CA -0.425 61.951 62.300 0.126 0.000 0.913 121 V CB 1.824 33.650 31.823 0.006 0.000 1.005 121 V HN 0.934 nan 8.190 nan 0.000 0.428 122 I N 4.131 124.811 120.570 0.184 0.000 2.841 122 I HA 0.550 4.725 4.170 0.010 0.000 0.298 122 I C -1.055 175.131 176.117 0.116 0.000 1.304 122 I CA -0.142 61.273 61.300 0.190 0.000 1.019 122 I CB 2.480 40.637 38.000 0.262 0.000 1.282 122 I HN 0.613 nan 8.210 nan 0.000 0.432 123 S N 4.603 120.364 115.700 0.102 0.000 2.594 123 S HA 0.442 4.917 4.470 0.010 0.000 0.322 123 S C -0.930 173.710 174.600 0.066 0.000 1.085 123 S CA -0.382 57.837 58.200 0.032 0.000 1.116 123 S CB 0.695 63.920 63.200 0.041 0.000 0.979 123 S HN 0.550 nan 8.310 nan 0.000 0.465 124 Q N 5.718 125.522 119.800 0.006 0.000 2.400 124 Q HA 0.484 4.830 4.340 0.010 0.000 0.255 124 Q C -2.712 173.204 176.000 -0.140 0.000 1.008 124 Q CA -2.201 53.594 55.803 -0.014 0.000 0.841 124 Q CB 1.184 29.906 28.738 -0.028 0.000 1.220 124 Q HN 0.299 nan 8.270 nan 0.000 0.474 125 P HA 0.034 nan 4.420 nan 0.000 0.261 125 P C -1.134 175.906 177.300 -0.433 0.000 1.183 125 P CA 0.421 63.266 63.100 -0.424 0.000 0.761 125 P CB 0.816 32.194 31.700 -0.536 0.000 0.785 126 S N 2.916 118.203 115.700 -0.689 0.000 2.536 126 S HA 0.623 5.099 4.470 0.010 0.000 0.287 126 S C -0.356 173.863 174.600 -0.634 0.000 1.101 126 S CA -0.531 57.256 58.200 -0.687 0.000 0.950 126 S CB 0.981 63.596 63.200 -0.974 0.000 1.056 126 S HN 0.235 nan 8.310 nan 0.000 0.481 127 I N 2.758 123.179 120.570 -0.248 0.000 2.465 127 I HA 0.555 4.731 4.170 0.010 0.000 0.291 127 I C -0.352 175.827 176.117 0.105 0.000 1.014 127 I CA -0.613 60.650 61.300 -0.062 0.000 1.093 127 I CB 1.610 39.605 38.000 -0.008 0.000 1.267 127 I HN 0.347 nan 8.210 nan 0.000 0.431 128 R N 5.050 125.637 120.500 0.144 0.000 2.574 128 R HA 0.386 4.732 4.340 0.010 0.000 0.288 128 R C -0.804 175.517 176.300 0.036 0.000 1.004 128 R CA -0.640 55.575 56.100 0.193 0.000 0.895 128 R CB 1.855 32.318 30.300 0.272 0.000 1.191 128 R HN 0.504 nan 8.270 nan 0.000 0.444 129 F N 0.344 120.331 119.950 0.063 0.000 2.695 129 F HA 0.004 4.536 4.527 0.009 0.000 0.303 129 F C 2.347 178.164 175.800 0.028 0.000 1.091 129 F CA 0.500 58.519 58.000 0.031 0.000 1.300 129 F CB 0.569 39.574 39.000 0.008 0.000 1.071 129 F HN 0.582 nan 8.300 nan 0.000 0.578 130 T N -3.506 111.148 114.554 0.166 0.000 2.929 130 T HA -0.140 4.216 4.350 0.010 0.000 0.271 130 T C 0.989 175.709 174.700 0.033 0.000 1.085 130 T CA 1.429 63.585 62.100 0.094 0.000 1.125 130 T CB -0.150 68.764 68.868 0.076 0.000 0.874 130 T HN 0.066 nan 8.240 nan 0.000 0.494 131 D N -0.042 120.357 120.400 -0.002 0.000 2.593 131 D HA 0.346 4.991 4.640 0.010 0.000 0.241 131 D C 1.290 177.559 176.300 -0.051 0.000 1.257 131 D CA -0.210 53.726 54.000 -0.108 0.000 0.828 131 D CB 0.290 40.922 40.800 -0.280 0.000 1.049 131 D HN 0.385 nan 8.370 nan 0.000 0.490 132 I N 0.604 121.185 120.570 0.019 0.000 2.286 132 I HA -0.224 3.951 4.170 0.010 0.000 0.248 132 I C 1.311 177.490 176.117 0.103 0.000 1.115 132 I CA 1.386 62.711 61.300 0.041 0.000 1.392 132 I CB 0.370 38.394 38.000 0.041 0.000 1.065 132 I HN -0.139 nan 8.210 nan 0.000 0.418 133 D N 0.371 120.845 120.400 0.123 0.000 2.269 133 D HA -0.155 4.491 4.640 0.010 0.000 0.208 133 D C 1.527 177.888 176.300 0.101 0.000 0.963 133 D CA 0.987 55.082 54.000 0.157 0.000 0.864 133 D CB -0.381 40.529 40.800 0.184 0.000 0.936 133 D HN 0.586 nan 8.370 nan 0.000 0.505 134 N N 0.310 119.038 118.700 0.046 0.000 2.396 134 N HA -0.053 4.693 4.740 0.010 0.000 0.180 134 N C 0.268 175.852 175.510 0.123 0.000 1.028 134 N CA -0.067 53.018 53.050 0.059 0.000 0.893 134 N CB 0.553 38.954 38.487 -0.144 0.000 0.967 134 N HN -0.081 nan 8.380 nan 0.000 0.440 135 V N 0.984 120.951 119.914 0.088 0.000 2.485 135 V HA 0.114 4.240 4.120 0.010 0.000 0.287 135 V C 1.330 177.369 176.094 -0.092 0.000 1.022 135 V CA 0.844 63.164 62.300 0.033 0.000 1.067 135 V CB 0.313 32.164 31.823 0.045 0.000 0.967 135 V HN 0.563 nan 8.190 nan 0.000 0.479 136 G N 4.493 113.177 108.800 -0.193 0.000 2.253 136 G HA2 -0.247 3.718 3.960 0.010 0.000 0.251 136 G HA3 -0.247 3.718 3.960 0.010 0.000 0.251 136 G C 0.618 175.574 174.900 0.094 0.000 0.998 136 G CA 0.379 45.385 45.100 -0.157 0.000 0.621 136 G HN 0.528 nan 8.290 nan 0.000 0.524 137 I N 1.596 122.223 120.570 0.095 0.000 2.731 137 I HA 0.077 4.253 4.170 0.010 0.000 0.260 137 I C 2.747 178.940 176.117 0.127 0.000 1.138 137 I CA 2.403 63.763 61.300 0.100 0.000 1.461 137 I CB -1.290 36.758 38.000 0.080 0.000 1.128 137 I HN 0.454 nan 8.210 nan 0.000 0.438 138 T N -2.378 112.276 114.554 0.166 0.000 3.044 138 T HA 0.323 4.679 4.350 0.010 0.000 0.250 138 T C 1.620 176.358 174.700 0.064 0.000 1.081 138 T CA 0.681 62.871 62.100 0.150 0.000 1.040 138 T CB 0.566 69.586 68.868 0.253 0.000 0.962 138 T HN 0.429 nan 8.240 nan 0.000 0.506 139 G N 2.871 111.680 108.800 0.014 0.000 2.234 139 G HA2 -0.360 3.606 3.960 0.010 0.000 0.260 139 G HA3 -0.360 3.606 3.960 0.010 0.000 0.260 139 G C 1.017 175.321 174.900 -0.993 0.000 0.987 139 G CA 0.551 45.446 45.100 -0.343 0.000 0.625 139 G HN 0.828 nan 8.290 nan 0.000 0.532 140 R N -1.260 118.824 120.500 -0.694 0.000 2.513 140 R HA 0.302 4.647 4.340 0.010 0.000 0.245 140 R C 0.306 176.241 176.300 -0.608 0.000 0.908 140 R CA -0.280 55.382 56.100 -0.730 0.000 1.023 140 R CB 0.199 30.350 30.300 -0.248 0.000 1.338 140 R HN 0.377 nan 8.270 nan 0.000 0.575 141 H N 0.675 119.579 119.070 -0.276 0.000 2.548 141 H HA 0.312 4.874 4.556 0.009 0.000 0.331 141 H C -0.934 174.268 175.328 -0.210 0.000 1.093 141 H CA -0.146 55.837 56.048 -0.109 0.000 1.367 141 H CB 0.824 30.589 29.762 0.005 0.000 1.455 141 H HN -0.051 nan 8.280 nan 0.000 0.519 142 F N -0.273 119.790 119.950 0.189 0.000 2.561 142 F HA 0.122 4.655 4.527 0.010 0.000 0.321 142 F C 1.664 177.547 175.800 0.138 0.000 1.065 142 F CA -0.716 57.396 58.000 0.186 0.000 0.934 142 F CB 1.802 40.910 39.000 0.179 0.000 1.215 142 F HN 0.450 nan 8.300 nan 0.000 0.471 143 T N -1.201 113.505 114.554 0.253 0.000 3.009 143 T HA 0.166 4.521 4.350 0.010 0.000 0.258 143 T C 0.282 175.041 174.700 0.097 0.000 1.063 143 T CA 0.638 62.742 62.100 0.007 0.000 1.139 143 T CB 0.020 68.684 68.868 -0.340 0.000 0.890 143 T HN 0.331 nan 8.240 nan 0.000 0.471 144 I N 2.051 122.726 120.570 0.175 0.000 2.406 144 I HA 0.642 4.818 4.170 0.010 0.000 0.290 144 I C -1.388 174.786 176.117 0.096 0.000 0.999 144 I CA -1.862 59.448 61.300 0.018 0.000 1.124 144 I CB 1.151 39.087 38.000 -0.107 0.000 1.289 144 I HN 0.374 nan 8.210 nan 0.000 0.441 145 F N 3.674 123.499 119.950 -0.208 0.000 2.711 145 F HA 0.674 5.207 4.527 0.010 0.000 0.313 145 F C -1.277 174.385 175.800 -0.230 0.000 1.141 145 F CA -0.950 56.892 58.000 -0.264 0.000 0.941 145 F CB 1.112 39.990 39.000 -0.204 0.000 1.349 145 F HN 0.320 nan 8.300 nan 0.000 0.464 146 E N 2.156 122.288 120.200 -0.113 0.000 2.133 146 E HA 0.335 4.690 4.350 0.010 0.000 0.274 146 E C -1.223 175.366 176.600 -0.017 0.000 0.930 146 E CA -0.837 55.470 56.400 -0.154 0.000 0.770 146 E CB 2.088 31.752 29.700 -0.060 0.000 1.104 146 E HN 0.694 nan 8.360 nan 0.000 0.403 147 M N 5.285 124.833 119.600 -0.087 0.000 2.069 147 M HA 0.297 4.783 4.480 0.010 0.000 0.349 147 M C -1.011 175.227 176.300 -0.104 0.000 1.194 147 M CA -0.228 55.074 55.300 0.003 0.000 1.081 147 M CB 0.273 32.906 32.600 0.055 0.000 1.500 147 M HN 0.447 nan 8.290 nan 0.000 0.438 148 M N 4.351 123.800 119.600 -0.251 0.000 2.211 148 M HA 0.638 5.124 4.480 0.010 0.000 0.356 148 M C -0.345 175.684 176.300 -0.452 0.000 1.216 148 M CA -0.358 54.599 55.300 -0.572 0.000 1.134 148 M CB 1.217 32.999 32.600 -1.364 0.000 1.564 148 M HN 0.758 nan 8.290 nan 0.000 0.463 149 A N 1.798 124.488 122.820 -0.217 0.000 2.547 149 A HA 0.656 4.982 4.320 0.010 0.000 0.297 149 A C -1.511 175.950 177.584 -0.204 0.000 1.056 149 A CA -0.919 51.013 52.037 -0.175 0.000 0.688 149 A CB 0.905 19.686 19.000 -0.366 0.000 1.282 149 A HN 0.992 nan 8.150 nan 0.000 0.400 150 H N 0.351 119.102 119.070 -0.532 0.000 2.459 150 H HA 0.837 5.399 4.556 0.009 0.000 0.332 150 H C -0.842 174.197 175.328 -0.482 0.000 1.094 150 H CA -0.625 55.088 56.048 -0.559 0.000 1.224 150 H CB 1.029 30.191 29.762 -1.000 0.000 1.449 150 H HN 0.577 nan 8.280 nan 0.000 0.484 151 H N 1.993 120.978 119.070 -0.143 0.000 2.572 151 H HA 0.673 5.234 4.556 0.009 0.000 0.359 151 H C -0.953 174.017 175.328 -0.595 0.000 1.134 151 H CA -0.733 55.031 56.048 -0.474 0.000 1.187 151 H CB 2.146 31.542 29.762 -0.610 0.000 1.597 151 H HN 0.909 nan 8.280 nan 0.000 0.524 152 A N 3.129 125.509 122.820 -0.733 0.000 2.374 152 A HA 0.593 4.918 4.320 0.010 0.000 0.305 152 A C -1.495 175.579 177.584 -0.850 0.000 1.053 152 A CA -0.660 50.916 52.037 -0.768 0.000 0.726 152 A CB 0.597 18.947 19.000 -1.083 0.000 1.229 152 A HN 0.455 nan 8.150 nan 0.000 0.431 153 F N 2.609 122.345 119.950 -0.357 0.000 2.325 153 F HA 0.315 4.848 4.527 0.009 0.000 0.369 153 F C 0.445 175.881 175.800 -0.607 0.000 1.095 153 F CA -0.665 57.031 58.000 -0.507 0.000 1.082 153 F CB 1.377 40.040 39.000 -0.561 0.000 1.289 153 F HN 0.513 nan 8.300 nan 0.000 0.462 154 N N 4.398 122.847 118.700 -0.417 0.000 2.719 154 N HA 0.092 4.838 4.740 0.010 0.000 0.243 154 N C -0.842 174.465 175.510 -0.339 0.000 1.104 154 N CA -0.271 52.574 53.050 -0.342 0.000 0.981 154 N CB 0.411 38.690 38.487 -0.346 0.000 1.290 154 N HN 0.419 nan 8.380 nan 0.000 0.513 155 Y N 1.617 121.895 120.300 -0.037 0.000 2.379 155 Y HA 0.168 4.723 4.550 0.009 0.000 0.337 155 Y C -1.319 174.543 175.900 -0.063 0.000 1.238 155 Y CA -1.840 56.238 58.100 -0.036 0.000 1.405 155 Y CB -0.329 38.127 38.460 -0.007 0.000 1.310 155 Y HN 0.359 nan 8.280 nan 0.000 0.569 156 P HA 0.180 nan 4.420 nan 0.000 0.264 156 P C 0.344 177.663 177.300 0.032 0.000 1.193 156 P CA 0.730 63.840 63.100 0.016 0.000 0.763 156 P CB 0.435 32.142 31.700 0.012 0.000 0.810 160 I N 0.450 121.007 120.570 -0.023 0.000 3.578 160 I HA 0.201 4.377 4.170 0.010 0.000 0.238 160 I C 0.532 176.713 176.117 0.106 0.000 1.080 160 I CA 0.890 62.193 61.300 0.005 0.000 1.538 160 I CB -0.775 37.146 38.000 -0.132 0.000 1.477 160 I HN 0.650 nan 8.210 nan 0.000 0.464 161 Y N -2.100 118.185 120.300 -0.025 0.000 2.713 161 Y HA 0.510 5.065 4.550 0.009 0.000 0.335 161 Y C -0.987 175.000 175.900 0.145 0.000 1.222 161 Y CA -1.866 56.208 58.100 -0.044 0.000 1.061 161 Y CB 0.993 39.241 38.460 -0.353 0.000 1.314 161 Y HN 0.235 nan 8.280 nan 0.000 0.453 162 W N 2.699 124.079 121.300 0.134 0.000 4.204 162 W HA 0.257 4.923 4.660 0.009 0.000 0.468 162 W C 0.929 177.477 176.519 0.048 0.000 1.772 162 W CA -0.719 56.649 57.345 0.039 0.000 0.971 162 W CB 1.461 30.876 29.460 -0.075 0.000 2.196 162 W HN 0.769 nan 8.180 nan 0.000 0.632 163 M N 1.367 120.538 119.600 -0.715 0.000 2.086 163 M HA -0.214 4.272 4.480 0.010 0.000 0.261 163 M C 1.389 177.389 176.300 -0.499 0.000 1.067 163 M CA 2.413 57.069 55.300 -1.074 0.000 1.116 163 M CB -0.641 31.054 32.600 -1.509 0.000 1.348 163 M HN 0.203 nan 8.290 nan 0.000 0.407 164 D N 0.280 120.469 120.400 -0.351 0.000 2.106 164 D HA -0.197 4.448 4.640 0.010 0.000 0.191 164 D C 1.832 177.976 176.300 -0.260 0.000 0.997 164 D CA 1.752 55.561 54.000 -0.317 0.000 0.834 164 D CB -0.411 40.273 40.800 -0.193 0.000 0.956 164 D HN 0.445 nan 8.370 nan 0.000 0.448 165 E N -0.257 119.832 120.200 -0.185 0.000 2.152 165 E HA -0.048 4.307 4.350 0.010 0.000 0.192 165 E C 2.139 178.588 176.600 -0.251 0.000 0.983 165 E CA 0.882 57.109 56.400 -0.289 0.000 0.818 165 E CB -0.284 29.056 29.700 -0.599 0.000 0.758 165 E HN 0.166 nan 8.360 nan 0.000 0.467 166 T N 0.594 115.126 114.554 -0.038 0.000 2.708 166 T HA -0.159 4.197 4.350 0.010 0.000 0.266 166 T C 2.148 176.947 174.700 0.164 0.000 1.037 166 T CA 1.658 63.878 62.100 0.199 0.000 1.146 166 T CB -0.419 68.695 68.868 0.410 0.000 0.865 166 T HN 0.236 nan 8.240 nan 0.000 0.435 167 V N 0.625 120.523 119.914 -0.027 0.000 2.407 167 V HA -0.133 3.993 4.120 0.010 0.000 0.248 167 V C 2.096 178.148 176.094 -0.070 0.000 1.055 167 V CA 1.626 63.819 62.300 -0.178 0.000 1.049 167 V CB -0.876 30.402 31.823 -0.907 0.000 0.662 167 V HN 0.435 nan 8.190 nan 0.000 0.455 168 E N 0.656 120.786 120.200 -0.117 0.000 2.047 168 E HA -0.103 4.253 4.350 0.010 0.000 0.191 168 E C 2.252 178.927 176.600 0.126 0.000 0.987 168 E CA 1.701 58.103 56.400 0.004 0.000 0.799 168 E CB -0.316 29.354 29.700 -0.049 0.000 0.752 168 E HN 0.594 nan 8.360 nan 0.000 0.449 169 L N 0.614 121.864 121.223 0.045 0.000 2.042 169 L HA -0.222 4.124 4.340 0.010 0.000 0.210 169 L C 2.559 179.524 176.870 0.158 0.000 1.076 169 L CA 1.134 56.003 54.840 0.047 0.000 0.749 169 L CB -0.450 41.548 42.059 -0.101 0.000 0.893 169 L HN 0.162 nan 8.230 nan 0.000 0.432 170 A N -0.326 122.653 122.820 0.264 0.000 1.858 170 A HA -0.266 4.060 4.320 0.010 0.000 0.216 170 A C 2.180 179.876 177.584 0.186 0.000 1.190 170 A CA 1.557 53.758 52.037 0.274 0.000 0.617 170 A CB -0.915 18.349 19.000 0.439 0.000 0.827 170 A HN 0.371 nan 8.150 nan 0.000 0.443 171 F N 0.701 120.810 119.950 0.266 0.000 2.126 171 F HA -0.177 4.356 4.527 0.010 0.000 0.299 171 F C 2.272 178.162 175.800 0.150 0.000 1.096 171 F CA 2.233 60.426 58.000 0.322 0.000 1.255 171 F CB -0.199 39.014 39.000 0.355 0.000 0.997 171 F HN 0.441 nan 8.300 nan 0.000 0.479 172 E N -0.629 119.677 120.200 0.177 0.000 2.077 172 E HA -0.287 4.069 4.350 0.010 0.000 0.193 172 E C 2.280 178.678 176.600 -0.336 0.000 0.989 172 E CA 1.488 57.903 56.400 0.024 0.000 0.800 172 E CB -0.506 29.344 29.700 0.249 0.000 0.746 172 E HN 0.462 nan 8.360 nan 0.000 0.452 173 F N 0.467 119.975 119.950 -0.738 0.000 2.102 173 F HA -0.213 4.319 4.527 0.009 0.000 0.298 173 F C 1.751 177.159 175.800 -0.653 0.000 1.105 173 F CA 1.437 58.714 58.000 -1.204 0.000 1.239 173 F CB -0.411 37.847 39.000 -1.237 0.000 0.991 173 F HN 0.022 nan 8.300 nan 0.000 0.474 174 F N 0.689 120.360 119.950 -0.465 0.000 2.146 174 F HA -0.125 4.408 4.527 0.009 0.000 0.298 174 F C 2.823 178.261 175.800 -0.604 0.000 1.096 174 F CA 1.770 59.433 58.000 -0.562 0.000 1.275 174 F CB -1.612 37.175 39.000 -0.356 0.000 1.008 174 F HN 0.138 nan 8.300 nan 0.000 0.480 175 T N -2.927 111.380 114.554 -0.413 0.000 2.983 175 T HA 0.013 4.369 4.350 0.010 0.000 0.250 175 T C 1.840 176.362 174.700 -0.296 0.000 1.037 175 T CA 0.437 62.291 62.100 -0.410 0.000 1.142 175 T CB -0.057 68.437 68.868 -0.624 0.000 0.876 175 T HN 0.037 nan 8.240 nan 0.000 0.455 176 K N 0.872 121.093 120.400 -0.298 0.000 2.128 176 K HA 0.153 4.479 4.320 0.010 0.000 0.202 176 K C 2.308 178.756 176.600 -0.254 0.000 1.050 176 K CA 0.769 56.931 56.287 -0.209 0.000 0.966 176 K CB -0.010 32.415 32.500 -0.124 0.000 0.759 176 K HN 0.363 nan 8.250 nan 0.000 0.454 177 E N 0.942 120.880 120.200 -0.437 0.000 2.060 177 E HA 0.088 4.443 4.350 0.010 0.000 0.189 177 E C 1.500 177.863 176.600 -0.395 0.000 0.974 177 E CA 0.444 56.579 56.400 -0.440 0.000 0.808 177 E CB 0.030 29.320 29.700 -0.683 0.000 0.768 177 E HN 0.158 nan 8.360 nan 0.000 0.453 183 E N 0.710 120.991 120.200 0.134 0.000 2.418 183 E HA -0.073 4.283 4.350 0.010 0.000 0.197 183 E C 0.189 176.843 176.600 0.090 0.000 1.026 183 E CA 0.976 57.405 56.400 0.048 0.000 0.862 183 E CB -0.232 29.466 29.700 -0.004 0.000 0.799 183 E HN 0.419 nan 8.360 nan 0.000 0.518 184 D N 0.801 121.287 120.400 0.143 0.000 2.350 184 D HA 0.168 4.814 4.640 0.010 0.000 0.213 184 D C 0.450 176.870 176.300 0.200 0.000 1.031 184 D CA 0.085 54.136 54.000 0.086 0.000 0.861 184 D CB 0.347 41.097 40.800 -0.083 0.000 0.926 184 D HN 0.237 nan 8.370 nan 0.000 0.520 185 I N 1.542 122.317 120.570 0.341 0.000 2.352 185 I HA 0.110 4.286 4.170 0.010 0.000 0.290 185 I C 0.520 176.888 176.117 0.417 0.000 1.036 185 I CA -0.207 61.299 61.300 0.344 0.000 1.336 185 I CB 1.112 39.356 38.000 0.407 0.000 1.407 185 I HN -0.173 nan 8.210 nan 0.000 0.497 186 T N 2.550 117.238 114.554 0.224 0.000 2.885 186 T HA 0.598 4.954 4.350 0.010 0.000 0.285 186 T C -0.660 174.092 174.700 0.087 0.000 1.019 186 T CA -0.636 61.664 62.100 0.334 0.000 1.010 186 T CB 1.421 70.451 68.868 0.270 0.000 1.022 186 T HN 0.160 nan 8.240 nan 0.000 0.466 187 F N 1.645 121.754 119.950 0.265 0.000 2.325 187 F HA 0.463 4.995 4.527 0.009 0.000 0.369 187 F C 0.632 176.701 175.800 0.449 0.000 1.095 187 F CA -0.928 57.170 58.000 0.165 0.000 1.082 187 F CB 1.533 40.341 39.000 -0.320 0.000 1.289 187 F HN 0.541 nan 8.300 nan 0.000 0.462 188 K N 3.829 124.568 120.400 0.565 0.000 2.227 188 K HA 0.263 4.589 4.320 0.010 0.000 0.280 188 K C -0.287 176.676 176.600 0.605 0.000 1.041 188 K CA -0.414 56.200 56.287 0.545 0.000 0.905 188 K CB 0.690 33.393 32.500 0.338 0.000 1.068 188 K HN 0.595 nan 8.250 nan 0.000 0.470 189 E N 3.101 123.645 120.200 0.573 0.000 2.257 189 E HA 0.026 4.381 4.350 0.010 0.000 0.278 189 E C -0.745 176.040 176.600 0.310 0.000 1.049 189 E CA -0.138 56.514 56.400 0.420 0.000 0.876 189 E CB 0.583 30.518 29.700 0.391 0.000 1.035 189 E HN 0.362 nan 8.360 nan 0.000 0.419 190 N N 4.084 122.949 118.700 0.275 0.000 2.697 190 N HA 0.205 4.951 4.740 0.010 0.000 0.271 190 N C -2.993 172.689 175.510 0.286 0.000 1.149 190 N CA -1.817 51.397 53.050 0.273 0.000 0.939 190 N CB 1.388 40.067 38.487 0.320 0.000 1.534 190 N HN 0.064 nan 8.380 nan 0.000 0.556 191 P HA 0.164 nan 4.420 nan 0.000 0.269 191 P C -0.579 176.830 177.300 0.180 0.000 1.209 191 P CA -0.034 63.161 63.100 0.158 0.000 0.776 191 P CB 0.627 32.436 31.700 0.181 0.000 0.876 192 W N 1.252 122.507 121.300 -0.075 0.000 2.929 192 W HA 0.694 5.360 4.660 0.010 0.000 0.345 192 W C -1.122 175.338 176.519 -0.099 0.000 1.151 192 W CA -0.602 56.704 57.345 -0.065 0.000 1.111 192 W CB 2.564 31.979 29.460 -0.074 0.000 1.449 192 W HN 0.327 nan 8.180 nan 0.000 0.572 193 A N 0.773 123.650 122.820 0.095 0.000 2.572 193 A HA 0.832 5.158 4.320 0.010 0.000 0.295 193 A C -0.989 176.708 177.584 0.189 0.000 1.072 193 A CA -0.310 51.764 52.037 0.061 0.000 0.691 193 A CB 1.624 20.613 19.000 -0.018 0.000 1.291 193 A HN 0.858 nan 8.150 nan 0.000 0.404 194 G N -0.626 108.275 108.800 0.169 0.000 2.635 194 G HA2 0.592 4.558 3.960 0.010 0.000 0.295 194 G HA3 0.592 4.558 3.960 0.010 0.000 0.295 194 G C 0.548 175.533 174.900 0.141 0.000 1.359 194 G CA 0.693 45.897 45.100 0.173 0.000 1.232 194 G HN 2.388 nan 8.290 nan 0.000 0.597 195 G N -0.057 108.815 108.800 0.119 0.000 2.283 195 G HA2 0.253 4.218 3.960 0.010 0.000 0.280 195 G HA3 0.253 4.218 3.960 0.010 0.000 0.280 195 G C 1.540 176.494 174.900 0.089 0.000 1.029 195 G CA 1.644 46.796 45.100 0.087 0.000 0.840 195 G HN 2.725 nan 8.290 nan 0.000 0.505 196 G N -1.929 106.956 108.800 0.141 0.000 2.253 196 G HA2 -0.173 3.793 3.960 0.010 0.000 0.209 196 G HA3 -0.173 3.793 3.960 0.010 0.000 0.209 196 G C -0.017 175.066 174.900 0.306 0.000 0.997 196 G CA 0.419 45.619 45.100 0.166 0.000 0.640 196 G HN 1.178 nan 8.290 nan 0.000 0.496 197 N N 0.081 118.933 118.700 0.252 0.000 2.312 197 N HA 0.837 5.583 4.740 0.010 0.000 0.296 197 N C -0.267 175.239 175.510 -0.008 0.000 1.193 197 N CA 0.121 53.285 53.050 0.190 0.000 0.773 197 N CB 2.150 40.716 38.487 0.132 0.000 1.435 197 N HN 0.863 nan 8.380 nan 0.000 0.484 198 A N -0.160 122.563 122.820 -0.161 0.000 2.609 198 A HA 0.968 5.294 4.320 0.010 0.000 0.291 198 A C -0.842 176.736 177.584 -0.011 0.000 1.096 198 A CA -0.294 51.574 52.037 -0.281 0.000 0.684 198 A CB 1.483 19.906 19.000 -0.962 0.000 1.282 198 A HN 0.808 nan 8.150 nan 0.000 0.412 199 G N -0.624 108.167 108.800 -0.015 0.000 2.349 199 G HA2 0.641 4.607 3.960 0.010 0.000 0.294 199 G HA3 0.641 4.607 3.960 0.010 0.000 0.294 199 G C -3.492 171.275 174.900 -0.222 0.000 1.380 199 G CA -0.568 44.536 45.100 0.006 0.000 0.811 199 G HN 0.630 nan 8.290 nan 0.000 0.519 200 P HA 0.446 nan 4.420 nan 0.000 0.268 200 P C -0.293 176.895 177.300 -0.186 0.000 1.208 200 P CA 0.384 63.169 63.100 -0.525 0.000 0.777 200 P CB 1.476 32.766 31.700 -0.683 0.000 0.875 201 A N 1.792 124.529 122.820 -0.139 0.000 2.606 201 A HA 0.716 5.042 4.320 0.010 0.000 0.293 201 A C -1.553 175.938 177.584 -0.155 0.000 1.082 201 A CA -0.523 51.427 52.037 -0.144 0.000 0.685 201 A CB 0.934 19.929 19.000 -0.010 0.000 1.284 201 A HN 0.278 nan 8.150 nan 0.000 0.408 202 F N 0.790 120.829 119.950 0.148 0.000 2.443 202 F HA 0.478 5.011 4.527 0.009 0.000 0.335 202 F C 0.583 176.410 175.800 0.046 0.000 1.104 202 F CA -0.267 57.863 58.000 0.218 0.000 1.013 202 F CB 1.851 41.088 39.000 0.395 0.000 1.136 202 F HN 0.559 nan 8.300 nan 0.000 0.470 203 E N 1.964 122.340 120.200 0.295 0.000 2.200 203 E HA 0.403 4.759 4.350 0.010 0.000 0.283 203 E C -1.053 175.593 176.600 0.076 0.000 1.015 203 E CA -0.633 55.833 56.400 0.110 0.000 0.819 203 E CB 1.692 31.494 29.700 0.171 0.000 1.081 203 E HN 0.264 nan 8.360 nan 0.000 0.397 204 V N 5.594 125.463 119.914 -0.075 0.000 2.385 204 V HA 0.223 4.348 4.120 0.010 0.000 0.269 204 V C -0.066 175.919 176.094 -0.182 0.000 1.043 204 V CA -0.389 61.772 62.300 -0.232 0.000 0.906 204 V CB 0.121 31.792 31.823 -0.253 0.000 0.995 204 V HN 0.513 nan 8.190 nan 0.000 0.467 205 L N 5.501 126.640 121.223 -0.140 0.000 2.334 205 L HA 0.663 5.008 4.340 0.010 0.000 0.273 205 L C -0.941 175.902 176.870 -0.045 0.000 1.013 205 L CA -0.693 54.099 54.840 -0.081 0.000 0.816 205 L CB 1.731 43.771 42.059 -0.031 0.000 1.278 205 L HN 0.647 nan 8.230 nan 0.000 0.431 206 Y N 2.556 122.715 120.300 -0.234 0.000 2.348 206 Y HA 0.311 4.867 4.550 0.010 0.000 0.321 206 Y C -0.220 175.549 175.900 -0.219 0.000 1.163 206 Y CA -0.938 57.013 58.100 -0.248 0.000 1.070 206 Y CB 1.009 39.236 38.460 -0.388 0.000 1.250 206 Y HN 0.544 nan 8.280 nan 0.000 0.425 207 R N 4.013 124.182 120.500 -0.553 0.000 3.516 207 R HA -0.231 4.115 4.340 0.010 0.000 0.271 207 R C 0.915 177.179 176.300 -0.061 0.000 1.098 207 R CA 1.371 57.249 56.100 -0.369 0.000 0.732 207 R CB -2.016 28.007 30.300 -0.462 0.000 1.152 207 R HN 1.684 nan 8.270 nan 0.000 0.455 208 G N -1.333 107.453 108.800 -0.024 0.000 2.195 208 G HA2 -0.331 3.635 3.960 0.010 0.000 0.246 208 G HA3 -0.331 3.635 3.960 0.010 0.000 0.246 208 G C -0.104 174.922 174.900 0.210 0.000 0.984 208 G CA 0.206 45.397 45.100 0.152 0.000 0.633 208 G HN 0.293 nan 8.290 nan 0.000 0.525 209 L N 1.281 122.487 121.223 -0.028 0.000 2.322 209 L HA 0.674 5.020 4.340 0.010 0.000 0.281 209 L C 0.370 177.177 176.870 -0.105 0.000 1.014 209 L CA -1.004 53.755 54.840 -0.134 0.000 0.815 209 L CB 1.596 43.347 42.059 -0.514 0.000 1.247 209 L HN 0.237 nan 8.230 nan 0.000 0.421 210 E N 3.258 123.437 120.200 -0.035 0.000 2.220 210 E HA 0.144 4.500 4.350 0.010 0.000 0.272 210 E C 0.410 176.949 176.600 -0.101 0.000 1.099 210 E CA -0.105 56.265 56.400 -0.049 0.000 0.907 210 E CB 0.747 30.460 29.700 0.022 0.000 1.022 210 E HN 0.632 nan 8.360 nan 0.000 0.428 211 V N 1.604 121.423 119.914 -0.159 0.000 3.644 211 V HA 0.533 4.658 4.120 0.010 0.000 0.267 211 V C 0.439 176.505 176.094 -0.045 0.000 1.277 211 V CA 0.416 62.629 62.300 -0.145 0.000 1.096 211 V CB -0.069 31.550 31.823 -0.340 0.000 0.828 211 V HN 0.537 nan 8.190 nan 0.000 0.446 212 A N -0.699 122.035 122.820 -0.144 0.000 2.608 212 A HA 0.742 5.067 4.320 0.010 0.000 0.292 212 A C -0.582 176.800 177.584 -0.337 0.000 1.066 212 A CA -0.222 51.620 52.037 -0.326 0.000 0.676 212 A CB 1.340 19.965 19.000 -0.625 0.000 1.277 212 A HN 0.130 nan 8.150 nan 0.000 0.413 213 T N 1.579 115.858 114.554 -0.458 0.000 2.848 213 T HA 0.626 4.982 4.350 0.010 0.000 0.285 213 T C -0.900 173.493 174.700 -0.511 0.000 0.995 213 T CA -0.231 61.540 62.100 -0.549 0.000 0.970 213 T CB 0.743 69.059 68.868 -0.920 0.000 0.976 213 T HN 0.495 nan 8.240 nan 0.000 0.441 214 L N 3.297 124.281 121.223 -0.397 0.000 2.345 214 L HA 0.637 4.983 4.340 0.010 0.000 0.274 214 L C -0.725 175.699 176.870 -0.744 0.000 0.999 214 L CA -1.029 53.528 54.840 -0.471 0.000 0.849 214 L CB 1.389 43.375 42.059 -0.121 0.000 1.220 214 L HN 0.322 nan 8.230 nan 0.000 0.422 215 V N 2.890 122.283 119.914 -0.868 0.000 2.459 215 V HA 0.409 4.535 4.120 0.010 0.000 0.295 215 V C -0.428 175.086 176.094 -0.968 0.000 1.029 215 V CA -0.296 61.571 62.300 -0.721 0.000 0.874 215 V CB 1.746 33.346 31.823 -0.372 0.000 0.985 215 V HN 0.403 nan 8.190 nan 0.000 0.438 216 F N 4.065 123.827 119.950 -0.314 0.000 2.318 216 F HA 0.491 5.024 4.527 0.010 0.000 0.356 216 F C 0.566 176.348 175.800 -0.031 0.000 1.109 216 F CA -0.416 57.349 58.000 -0.392 0.000 1.234 216 F CB 0.636 39.136 39.000 -0.834 0.000 1.545 216 F HN 0.297 nan 8.300 nan 0.000 0.534 217 M N 3.682 123.358 119.600 0.127 0.000 2.307 217 M HA 0.071 4.557 4.480 0.010 0.000 0.346 217 M C 0.620 177.008 176.300 0.146 0.000 1.552 217 M CA 0.771 56.140 55.300 0.115 0.000 1.116 217 M CB 0.445 33.081 32.600 0.061 0.000 1.889 217 M HN 0.628 nan 8.290 nan 0.000 0.460 218 Q N 2.238 122.043 119.800 0.007 0.000 2.028 218 Q HA 0.236 4.582 4.340 0.010 0.000 0.207 218 Q C -1.032 174.661 176.000 -0.512 0.000 0.776 218 Q CA -0.207 55.457 55.803 -0.231 0.000 1.015 218 Q CB 0.449 29.024 28.738 -0.272 0.000 1.215 218 Q HN 0.624 nan 8.270 nan 0.000 0.445 223 P HA 0.415 nan 4.420 nan 0.000 0.274 223 P C -0.419 176.860 177.300 -0.036 0.000 1.246 223 P CA -0.174 62.907 63.100 -0.031 0.000 0.795 223 P CB 0.423 32.116 31.700 -0.011 0.000 1.006 224 E N 0.507 120.684 120.200 -0.038 0.000 2.465 224 E HA -0.014 4.341 4.350 0.010 0.000 0.260 224 E C -0.096 176.488 176.600 -0.026 0.000 0.980 224 E CA 0.246 56.624 56.400 -0.036 0.000 0.927 224 E CB -0.623 29.054 29.700 -0.038 0.000 0.934 224 E HN 0.358 nan 8.360 nan 0.000 0.459 225 N N 0.421 119.107 118.700 -0.023 0.000 2.754 225 N HA -0.233 4.513 4.740 0.010 0.000 0.248 225 N C -0.877 174.629 175.510 -0.007 0.000 1.093 225 N CA 0.059 53.100 53.050 -0.015 0.000 0.699 225 N CB -0.972 37.507 38.487 -0.013 0.000 1.016 225 N HN 0.560 nan 8.380 nan 0.000 0.552 226 A N 0.160 122.976 122.820 -0.007 0.000 2.488 226 A HA 0.375 4.701 4.320 0.010 0.000 0.249 226 A C -0.784 176.805 177.584 0.009 0.000 1.083 226 A CA -0.738 51.302 52.037 0.006 0.000 0.768 226 A CB 0.241 19.247 19.000 0.009 0.000 1.017 226 A HN 0.123 nan 8.150 nan 0.000 0.496 227 P HA -0.118 nan 4.420 nan 0.000 0.248 227 P C 1.321 178.630 177.300 0.017 0.000 1.331 227 P CA 0.777 63.886 63.100 0.015 0.000 0.699 227 P CB 0.023 31.735 31.700 0.020 0.000 1.196 228 Q N 0.098 119.910 119.800 0.020 0.000 1.969 228 Q HA -0.099 4.246 4.340 0.010 0.000 0.198 228 Q C -0.165 175.849 176.000 0.024 0.000 0.978 228 Q CA 1.460 57.274 55.803 0.019 0.000 0.830 228 Q CB -1.097 27.653 28.738 0.019 0.000 0.896 228 Q HN 0.346 nan 8.270 nan 0.000 0.431 229 D N 1.499 121.921 120.400 0.036 0.000 2.524 229 D HA 0.165 4.811 4.640 0.010 0.000 0.222 229 D C -0.972 175.366 176.300 0.064 0.000 1.142 229 D CA -0.415 53.614 54.000 0.047 0.000 0.973 229 D CB 0.578 41.414 40.800 0.060 0.000 1.025 229 D HN 0.245 nan 8.370 nan 0.000 0.519 230 Q N 0.127 119.954 119.800 0.045 0.000 2.193 230 Q HA 0.662 5.007 4.340 0.010 0.000 0.246 230 Q C -0.127 175.887 176.000 0.023 0.000 0.959 230 Q CA -1.294 54.540 55.803 0.051 0.000 0.904 230 Q CB 1.873 30.630 28.738 0.031 0.000 1.238 230 Q HN 0.388 nan 8.270 nan 0.000 0.469 231 V N -2.013 117.903 119.914 0.003 0.000 2.540 231 V HA 0.666 4.791 4.120 0.010 0.000 0.302 231 V C -0.582 175.522 176.094 0.016 0.000 1.035 231 V CA -1.004 61.257 62.300 -0.065 0.000 0.873 231 V CB 1.635 33.298 31.823 -0.267 0.000 0.992 231 V HN 0.568 nan 8.190 nan 0.000 0.428 232 V N 6.036 125.959 119.914 0.014 0.000 2.385 232 V HA 0.554 4.680 4.120 0.010 0.000 0.269 232 V C 0.231 176.363 176.094 0.065 0.000 1.043 232 V CA 0.066 62.402 62.300 0.061 0.000 0.906 232 V CB 1.320 33.157 31.823 0.024 0.000 0.995 232 V HN 1.128 nan 8.190 nan 0.000 0.467 233 V N 5.208 125.197 119.914 0.124 0.000 2.531 233 V HA 0.899 5.025 4.120 0.010 0.000 0.301 233 V C -0.412 175.712 176.094 0.050 0.000 1.034 233 V CA -0.736 61.599 62.300 0.058 0.000 0.865 233 V CB 1.004 32.811 31.823 -0.028 0.000 0.995 233 V HN 1.414 nan 8.190 nan 0.000 0.424 237 E N 0.045 120.286 120.200 0.067 0.000 3.229 237 E HA -0.237 4.119 4.350 0.010 0.000 0.354 237 E C -0.321 176.286 176.600 0.012 0.000 1.487 237 E CA 1.482 57.906 56.400 0.040 0.000 1.617 237 E CB -0.912 28.778 29.700 -0.018 0.000 1.768 237 E HN 0.418 nan 8.360 nan 0.000 0.497 238 K N 0.986 121.328 120.400 -0.095 0.000 2.511 238 K HA 0.031 4.357 4.320 0.010 0.000 0.277 238 K C -0.517 175.891 176.600 -0.320 0.000 1.025 238 K CA 1.101 57.317 56.287 -0.118 0.000 1.112 238 K CB -0.169 32.268 32.500 -0.105 0.000 0.859 238 K HN 0.202 nan 8.250 nan 0.000 0.485 239 Y N 1.101 121.399 120.300 -0.003 0.000 2.588 239 Y HA 0.464 5.019 4.550 0.009 0.000 0.343 239 Y C 0.164 176.114 175.900 0.084 0.000 1.065 239 Y CA -1.300 56.825 58.100 0.043 0.000 1.038 239 Y CB 1.615 40.098 38.460 0.039 0.000 1.297 239 Y HN 0.468 nan 8.280 nan 0.000 0.467 240 I N -0.608 120.164 120.570 0.336 0.000 2.846 240 I HA 0.799 4.975 4.170 0.010 0.000 0.307 240 I C -2.980 173.399 176.117 0.437 0.000 1.053 240 I CA -2.960 58.529 61.300 0.314 0.000 1.050 240 I CB 2.167 40.272 38.000 0.174 0.000 1.239 240 I HN 0.229 nan 8.210 nan 0.000 0.439 241 P HA 0.250 nan 4.420 nan 0.000 0.269 241 P C -0.955 176.382 177.300 0.061 0.000 1.215 241 P CA -0.203 62.978 63.100 0.136 0.000 0.780 241 P CB 0.523 32.274 31.700 0.085 0.000 0.898 242 M N -0.635 118.942 119.600 -0.038 0.000 2.644 242 M HA 0.502 4.988 4.480 0.010 0.000 0.304 242 M C 0.441 176.706 176.300 -0.059 0.000 1.215 242 M CA -0.528 54.766 55.300 -0.011 0.000 0.871 242 M CB 2.474 35.088 32.600 0.024 0.000 1.740 242 M HN 0.145 nan 8.290 nan 0.000 0.464 243 E N 0.684 120.868 120.200 -0.027 0.000 2.107 243 E HA -0.007 4.348 4.350 0.010 0.000 0.191 243 E C 0.236 176.786 176.600 -0.083 0.000 0.982 243 E CA 1.149 57.521 56.400 -0.046 0.000 0.809 243 E CB 0.113 29.810 29.700 -0.005 0.000 0.756 243 E HN 0.761 nan 8.360 nan 0.000 0.459 247 V N 3.434 123.308 119.914 -0.066 0.000 2.415 247 V HA 0.318 4.444 4.120 0.010 0.000 0.267 247 V C -0.048 175.893 176.094 -0.254 0.000 1.042 247 V CA 0.302 62.482 62.300 -0.199 0.000 1.000 247 V CB 1.241 32.935 31.823 -0.216 0.000 1.015 247 V HN 0.933 nan 8.190 nan 0.000 0.478 248 D N 4.254 124.473 120.400 -0.301 0.000 2.446 248 D HA 0.393 5.039 4.640 0.010 0.000 0.251 248 D C 0.139 176.242 176.300 -0.329 0.000 1.137 248 D CA -0.270 53.653 54.000 -0.128 0.000 0.890 248 D CB 1.284 42.035 40.800 -0.082 0.000 1.071 248 D HN 0.635 nan 8.370 nan 0.000 0.528 249 T N 0.188 114.488 114.554 -0.423 0.000 2.952 249 T HA 0.852 5.208 4.350 0.010 0.000 0.286 249 T C 0.356 174.896 174.700 -0.267 0.000 1.024 249 T CA -1.007 60.833 62.100 -0.434 0.000 1.029 249 T CB 1.921 70.482 68.868 -0.511 0.000 1.094 249 T HN 0.324 nan 8.240 nan 0.000 0.515 250 G N 0.791 109.445 108.800 -0.242 0.000 2.618 250 G HA2 0.533 4.499 3.960 0.010 0.000 0.280 250 G HA3 0.533 4.499 3.960 0.010 0.000 0.280 250 G C -1.714 173.106 174.900 -0.134 0.000 1.458 250 G CA -0.745 44.286 45.100 -0.114 0.000 1.224 250 G HN 0.702 nan 8.290 nan 0.000 0.576 251 Y N 1.379 121.573 120.300 -0.177 0.000 2.334 251 Y HA 0.493 5.049 4.550 0.010 0.000 0.336 251 Y C 1.087 176.909 175.900 -0.130 0.000 0.960 251 Y CA -0.867 57.161 58.100 -0.120 0.000 1.164 251 Y CB 2.354 40.698 38.460 -0.192 0.000 1.155 251 Y HN 0.661 nan 8.280 nan 0.000 0.478 252 G N 3.621 112.466 108.800 0.076 0.000 2.346 252 G HA2 0.122 4.088 3.960 0.010 0.000 0.275 252 G HA3 0.122 4.088 3.960 0.010 0.000 0.275 252 G C 0.811 175.737 174.900 0.044 0.000 1.190 252 G CA -0.281 44.856 45.100 0.061 0.000 1.015 252 G HN 0.811 nan 8.290 nan 0.000 0.441 253 L N 2.878 124.110 121.223 0.015 0.000 2.012 253 L HA -0.086 4.260 4.340 0.010 0.000 0.210 253 L C 2.452 179.334 176.870 0.020 0.000 1.073 253 L CA 2.188 57.029 54.840 0.000 0.000 0.748 253 L CB -0.458 41.596 42.059 -0.009 0.000 0.891 253 L HN 0.544 nan 8.230 nan 0.000 0.431 254 E N -0.335 119.850 120.200 -0.026 0.000 2.077 254 E HA -0.174 4.181 4.350 0.010 0.000 0.193 254 E C 2.342 178.987 176.600 0.076 0.000 0.989 254 E CA 1.449 57.811 56.400 -0.063 0.000 0.800 254 E CB -0.218 29.251 29.700 -0.385 0.000 0.746 254 E HN 0.426 nan 8.360 nan 0.000 0.452 255 R N -0.006 120.545 120.500 0.085 0.000 2.081 255 R HA -0.074 4.272 4.340 0.010 0.000 0.235 255 R C 2.368 178.699 176.300 0.050 0.000 1.131 255 R CA 1.093 57.276 56.100 0.138 0.000 0.960 255 R CB -0.378 29.953 30.300 0.051 0.000 0.856 255 R HN 0.180 nan 8.270 nan 0.000 0.436 256 L N -0.042 121.201 121.223 0.033 0.000 2.056 256 L HA -0.162 4.184 4.340 0.010 0.000 0.207 256 L C 2.332 179.213 176.870 0.017 0.000 1.078 256 L CA 0.903 55.742 54.840 -0.001 0.000 0.749 256 L CB -0.354 41.747 42.059 0.069 0.000 0.901 256 L HN 0.051 nan 8.230 nan 0.000 0.433 257 V N -1.126 118.841 119.914 0.089 0.000 2.343 257 V HA -0.294 3.832 4.120 0.010 0.000 0.247 257 V C 2.092 178.329 176.094 0.239 0.000 1.051 257 V CA 1.824 64.219 62.300 0.158 0.000 1.036 257 V CB -0.626 31.297 31.823 0.168 0.000 0.654 257 V HN 0.628 nan 8.190 nan 0.000 0.451 258 W N 0.321 121.635 121.300 0.023 0.000 2.338 258 W HA -0.238 4.427 4.660 0.009 0.000 0.304 258 W C 2.322 178.874 176.519 0.054 0.000 1.212 258 W CA 2.136 59.519 57.345 0.063 0.000 1.264 258 W CB -0.628 28.866 29.460 0.056 0.000 1.142 258 W HN 0.291 nan 8.180 nan 0.000 0.512 259 M N 1.047 120.554 119.600 -0.155 0.000 2.202 259 M HA -0.181 4.305 4.480 0.010 0.000 0.262 259 M C 2.310 178.567 176.300 -0.071 0.000 1.063 259 M CA 2.551 57.601 55.300 -0.416 0.000 1.097 259 M CB -0.921 31.408 32.600 -0.452 0.000 1.382 259 M HN 0.067 nan 8.290 nan 0.000 0.413 260 S N -1.820 113.910 115.700 0.051 0.000 2.496 260 S HA -0.041 4.434 4.470 0.010 0.000 0.224 260 S C 1.863 176.564 174.600 0.167 0.000 0.996 260 S CA 0.837 59.117 58.200 0.135 0.000 0.927 260 S CB -0.148 63.195 63.200 0.238 0.000 0.774 260 S HN 0.634 nan 8.310 nan 0.000 0.524 261 Q N 0.694 120.619 119.800 0.209 0.000 2.390 261 Q HA 0.386 4.732 4.340 0.010 0.000 0.216 261 Q C 1.359 177.491 176.000 0.219 0.000 0.916 261 Q CA 0.806 56.744 55.803 0.224 0.000 0.911 261 Q CB 0.030 28.934 28.738 0.277 0.000 1.035 261 Q HN 0.704 nan 8.270 nan 0.000 0.541 262 G N 1.550 110.507 108.800 0.262 0.000 2.225 262 G HA2 -0.306 3.660 3.960 0.010 0.000 0.267 262 G HA3 -0.306 3.660 3.960 0.010 0.000 0.267 262 G C 0.215 175.230 174.900 0.192 0.000 1.024 262 G CA 0.526 45.736 45.100 0.182 0.000 0.784 262 G HN 0.463 nan 8.290 nan 0.000 0.507 263 T N -2.469 112.299 114.554 0.357 0.000 2.813 263 T HA 0.528 4.883 4.350 0.010 0.000 0.297 263 T C -0.632 174.260 174.700 0.320 0.000 1.036 263 T CA -0.803 61.469 62.100 0.286 0.000 1.044 263 T CB 1.646 70.660 68.868 0.243 0.000 0.993 263 T HN -0.045 nan 8.240 nan 0.000 0.535 264 P HA 0.001 nan 4.420 nan 0.000 0.216 264 P C 0.775 178.159 177.300 0.140 0.000 1.150 264 P CA 1.204 64.385 63.100 0.135 0.000 0.837 264 P CB -0.102 31.643 31.700 0.076 0.000 0.786 265 T N -6.093 108.429 114.554 -0.053 0.000 2.916 265 T HA 0.697 5.053 4.350 0.010 0.000 0.292 265 T C 1.034 175.070 174.700 -1.108 0.000 1.055 265 T CA -0.382 61.390 62.100 -0.547 0.000 1.009 265 T CB 1.817 70.329 68.868 -0.593 0.000 1.118 265 T HN -0.072 nan 8.240 nan 0.000 0.497 266 A N 0.411 121.991 122.820 -2.067 0.000 1.978 266 A HA 0.011 4.336 4.320 0.010 0.000 0.220 266 A C 1.779 178.988 177.584 -0.626 0.000 1.170 266 A CA 1.314 52.397 52.037 -1.589 0.000 0.636 266 A CB -1.316 16.951 19.000 -1.221 0.000 0.810 266 A HN 0.893 nan 8.150 nan 0.000 0.448 267 Y N 0.824 120.826 120.300 -0.497 0.000 2.224 267 Y HA -0.165 4.390 4.550 0.009 0.000 0.289 267 Y C 2.075 177.909 175.900 -0.109 0.000 1.146 267 Y CA 0.889 58.813 58.100 -0.293 0.000 1.182 267 Y CB -0.629 37.407 38.460 -0.706 0.000 0.983 267 Y HN 0.327 nan 8.280 nan 0.000 0.524 268 D N -0.213 120.181 120.400 -0.010 0.000 2.178 268 D HA -0.093 4.553 4.640 0.010 0.000 0.202 268 D C 2.157 178.530 176.300 0.120 0.000 0.974 268 D CA 1.332 55.396 54.000 0.107 0.000 0.841 268 D CB -0.226 40.642 40.800 0.113 0.000 0.953 268 D HN 0.400 nan 8.370 nan 0.000 0.478 269 A N 0.301 123.170 122.820 0.081 0.000 2.021 269 A HA 0.036 4.361 4.320 0.010 0.000 0.216 269 A C 2.323 180.017 177.584 0.184 0.000 1.163 269 A CA 0.593 52.724 52.037 0.156 0.000 0.676 269 A CB 0.117 19.240 19.000 0.205 0.000 0.818 269 A HN 0.132 nan 8.150 nan 0.000 0.453 270 V N -1.294 118.734 119.914 0.190 0.000 2.908 270 V HA 0.158 4.283 4.120 0.010 0.000 0.240 270 V C 1.442 177.739 176.094 0.337 0.000 1.117 270 V CA 0.859 63.308 62.300 0.248 0.000 1.133 270 V CB -0.074 31.873 31.823 0.206 0.000 0.857 270 V HN 0.442 nan 8.190 nan 0.000 0.478 271 L N 0.479 121.850 121.223 0.246 0.000 3.066 271 L HA 0.394 4.740 4.340 0.010 0.000 0.265 271 L C 2.109 178.900 176.870 -0.132 0.000 1.232 271 L CA 0.471 55.322 54.840 0.017 0.000 1.031 271 L CB 0.040 42.164 42.059 0.108 0.000 1.379 271 L HN 0.344 nan 8.230 nan 0.000 0.563 272 G N 0.982 109.833 108.800 0.085 0.000 2.469 272 G HA2 -0.356 3.610 3.960 0.010 0.000 0.220 272 G HA3 -0.356 3.610 3.960 0.010 0.000 0.220 272 G C 1.330 176.258 174.900 0.045 0.000 1.136 272 G CA 1.380 46.538 45.100 0.097 0.000 0.759 272 G HN 0.646 nan 8.290 nan 0.000 0.562 273 Y N -0.516 119.833 120.300 0.083 0.000 2.569 273 Y HA 0.241 4.798 4.550 0.011 0.000 0.293 273 Y C 2.034 177.929 175.900 -0.009 0.000 1.144 273 Y CA 0.734 58.859 58.100 0.042 0.000 1.321 273 Y CB -0.307 38.182 38.460 0.049 0.000 0.982 273 Y HN 0.044 nan 8.280 nan 0.000 0.558 274 V N -1.325 118.288 119.914 -0.501 0.000 3.013 274 V HA -0.062 4.064 4.120 0.010 0.000 0.238 274 V C 2.183 178.164 176.094 -0.188 0.000 1.161 274 V CA 0.764 62.850 62.300 -0.356 0.000 1.170 274 V CB 0.210 31.711 31.823 -0.538 0.000 0.917 274 V HN 0.249 nan 8.190 nan 0.000 0.478 275 V N 0.503 120.328 119.914 -0.148 0.000 2.332 275 V HA -0.215 3.911 4.120 0.010 0.000 0.248 275 V C 2.612 178.661 176.094 -0.074 0.000 1.055 275 V CA 2.037 64.296 62.300 -0.068 0.000 1.038 275 V CB -0.492 31.377 31.823 0.077 0.000 0.651 275 V HN 0.543 nan 8.190 nan 0.000 0.450 276 E N -0.428 119.753 120.200 -0.033 0.000 2.046 276 E HA -0.102 4.253 4.350 0.010 0.000 0.190 276 E C 0.489 177.066 176.600 -0.038 0.000 0.982 276 E CA 1.250 57.639 56.400 -0.018 0.000 0.800 276 E CB -1.788 27.928 29.700 0.028 0.000 0.756 276 E HN 0.526 nan 8.360 nan 0.000 0.449 277 P HA -0.112 nan 4.420 nan 0.000 0.216 277 P C 0.950 178.211 177.300 -0.065 0.000 1.153 277 P CA 0.815 63.892 63.100 -0.037 0.000 0.858 277 P CB 0.038 31.721 31.700 -0.028 0.000 0.789 282 A N 0.324 123.096 122.820 -0.080 0.000 2.218 282 A HA 0.526 4.851 4.320 0.010 0.000 0.209 282 A C 1.466 179.003 177.584 -0.078 0.000 1.168 282 A CA 1.166 53.152 52.037 -0.085 0.000 0.804 282 A CB -0.661 18.268 19.000 -0.119 0.000 0.834 282 A HN 0.993 nan 8.150 nan 0.000 0.482 283 G N -0.103 108.653 108.800 -0.073 0.000 2.221 283 G HA2 -0.196 3.769 3.960 0.010 0.000 0.265 283 G HA3 -0.196 3.769 3.960 0.010 0.000 0.265 283 G C -0.077 174.782 174.900 -0.068 0.000 1.041 283 G CA 0.182 45.247 45.100 -0.058 0.000 0.807 283 G HN 0.321 nan 8.290 nan 0.000 0.502 284 I N 1.172 121.676 120.570 -0.109 0.000 2.421 284 I HA 0.190 4.366 4.170 0.010 0.000 0.291 284 I C 1.020 177.096 176.117 -0.069 0.000 1.089 284 I CA -0.488 60.734 61.300 -0.130 0.000 1.354 284 I CB 0.002 37.825 38.000 -0.295 0.000 1.413 284 I HN 0.292 nan 8.210 nan 0.000 0.513 285 E N 5.381 125.577 120.200 -0.006 0.000 2.404 285 E HA 0.090 4.446 4.350 0.010 0.000 0.261 285 E C 0.107 176.775 176.600 0.114 0.000 1.074 285 E CA -0.457 55.965 56.400 0.037 0.000 0.917 285 E CB 0.923 30.641 29.700 0.031 0.000 0.965 285 E HN 0.342 nan 8.360 nan 0.000 0.433 286 K N 1.980 122.447 120.400 0.112 0.000 2.485 286 K HA 0.037 4.362 4.320 0.010 0.000 0.277 286 K C 0.196 176.854 176.600 0.097 0.000 0.990 286 K CA 0.258 56.632 56.287 0.144 0.000 0.994 286 K CB 0.135 32.685 32.500 0.084 0.000 0.906 286 K HN 0.366 nan 8.250 nan 0.000 0.488 287 I N -1.800 118.797 120.570 0.046 0.000 3.100 287 I HA 0.313 4.488 4.170 0.010 0.000 0.312 287 I C 0.041 176.119 176.117 -0.066 0.000 1.063 287 I CA -1.156 60.122 61.300 -0.035 0.000 1.031 287 I CB 1.090 39.024 38.000 -0.110 0.000 1.243 287 I HN 0.359 nan 8.210 nan 0.000 0.483 288 D N 2.227 122.590 120.400 -0.060 0.000 2.520 288 D HA -0.098 4.548 4.640 0.010 0.000 0.243 288 D C 0.905 177.160 176.300 -0.074 0.000 1.160 288 D CA 0.753 54.721 54.000 -0.052 0.000 0.877 288 D CB 0.865 41.639 40.800 -0.043 0.000 1.150 288 D HN 0.787 nan 8.370 nan 0.000 0.494 289 E N 3.274 123.444 120.200 -0.049 0.000 2.153 289 E HA -0.238 4.118 4.350 0.010 0.000 0.194 289 E C 1.703 178.279 176.600 -0.041 0.000 0.988 289 E CA 1.071 57.445 56.400 -0.044 0.000 0.811 289 E CB 0.170 29.863 29.700 -0.012 0.000 0.746 289 E HN 0.596 nan 8.360 nan 0.000 0.466 290 K N 0.250 120.628 120.400 -0.036 0.000 2.288 290 K HA -0.093 4.233 4.320 0.010 0.000 0.201 290 K C 1.988 178.565 176.600 -0.038 0.000 1.048 290 K CA 0.987 57.256 56.287 -0.031 0.000 0.956 290 K CB -0.200 32.284 32.500 -0.026 0.000 0.746 290 K HN 0.153 nan 8.250 nan 0.000 0.461 291 I N 1.069 121.606 120.570 -0.056 0.000 2.127 291 I HA -0.300 3.876 4.170 0.010 0.000 0.241 291 I C 2.164 178.247 176.117 -0.057 0.000 1.075 291 I CA 1.037 62.299 61.300 -0.064 0.000 1.334 291 I CB -0.247 37.699 38.000 -0.090 0.000 1.040 291 I HN 0.119 nan 8.210 nan 0.000 0.405 292 L N -0.252 120.929 121.223 -0.071 0.000 2.017 292 L HA -0.200 4.145 4.340 0.010 0.000 0.208 292 L C 2.509 179.385 176.870 0.011 0.000 1.073 292 L CA 1.943 56.766 54.840 -0.028 0.000 0.745 292 L CB -0.575 41.465 42.059 -0.033 0.000 0.894 292 L HN 0.172 nan 8.230 nan 0.000 0.432 293 M N -1.327 118.275 119.600 0.003 0.000 2.065 293 M HA -0.205 4.280 4.480 0.010 0.000 0.259 293 M C 2.178 178.485 176.300 0.012 0.000 1.069 293 M CA 1.568 56.876 55.300 0.014 0.000 1.110 293 M CB -0.481 32.114 32.600 -0.007 0.000 1.328 293 M HN 0.141 nan 8.290 nan 0.000 0.405 294 E N 0.269 120.465 120.200 -0.008 0.000 2.077 294 E HA -0.198 4.158 4.350 0.010 0.000 0.193 294 E C 1.597 178.192 176.600 -0.008 0.000 0.989 294 E CA 1.447 57.839 56.400 -0.014 0.000 0.800 294 E CB -0.826 28.860 29.700 -0.024 0.000 0.746 294 E HN 0.528 nan 8.360 nan 0.000 0.452 295 N N 0.763 119.459 118.700 -0.007 0.000 2.043 295 N HA -0.150 4.595 4.740 0.010 0.000 0.193 295 N C 1.838 177.368 175.510 0.034 0.000 1.037 295 N CA 2.051 55.098 53.050 -0.005 0.000 0.851 295 N CB -0.073 38.414 38.487 -0.000 0.000 1.027 295 N HN -0.095 nan 8.380 nan 0.000 0.422 296 S N 0.017 115.764 115.700 0.078 0.000 2.359 296 S HA -0.117 4.359 4.470 0.010 0.000 0.224 296 S C 1.889 176.601 174.600 0.187 0.000 1.035 296 S CA 1.095 59.400 58.200 0.176 0.000 1.018 296 S CB -0.303 63.047 63.200 0.251 0.000 0.876 296 S HN 0.376 nan 8.310 nan 0.000 0.448 297 R N 0.521 121.080 120.500 0.099 0.000 2.080 297 R HA -0.007 4.339 4.340 0.010 0.000 0.236 297 R C 2.140 178.358 176.300 -0.137 0.000 1.137 297 R CA 1.116 57.195 56.100 -0.036 0.000 0.943 297 R CB -0.461 29.822 30.300 -0.028 0.000 0.846 297 R HN 0.276 nan 8.270 nan 0.000 0.431 298 L N 0.178 121.379 121.223 -0.037 0.000 2.141 298 L HA -0.055 4.291 4.340 0.010 0.000 0.209 298 L C 2.406 179.346 176.870 0.117 0.000 1.094 298 L CA 1.491 56.347 54.840 0.026 0.000 0.763 298 L CB -1.221 40.838 42.059 -0.001 0.000 0.908 298 L HN 0.245 nan 8.230 nan 0.000 0.437 299 A N -0.044 122.813 122.820 0.061 0.000 2.015 299 A HA -0.028 4.298 4.320 0.010 0.000 0.219 299 A C 2.422 180.078 177.584 0.121 0.000 1.163 299 A CA 1.238 53.359 52.037 0.140 0.000 0.646 299 A CB -0.857 18.215 19.000 0.121 0.000 0.806 299 A HN 0.413 nan 8.150 nan 0.000 0.448 300 G N -0.107 108.630 108.800 -0.105 0.000 2.469 300 G HA2 -0.346 3.619 3.960 0.010 0.000 0.219 300 G HA3 -0.346 3.619 3.960 0.010 0.000 0.219 300 G C 1.628 176.452 174.900 -0.127 0.000 1.150 300 G CA 1.413 46.315 45.100 -0.331 0.000 0.763 300 G HN 0.561 nan 8.290 nan 0.000 0.561 301 M N -0.949 118.609 119.600 -0.071 0.000 2.254 301 M HA 0.272 4.758 4.480 0.010 0.000 0.265 301 M C -0.051 176.218 176.300 -0.051 0.000 1.066 301 M CA 0.556 55.822 55.300 -0.058 0.000 1.123 301 M CB 0.189 32.752 32.600 -0.061 0.000 1.388 301 M HN 0.019 nan 8.290 nan 0.000 0.425 302 F N 2.200 122.149 119.950 -0.002 0.000 2.390 302 F HA 0.223 4.755 4.527 0.009 0.000 0.361 302 F C 0.290 176.135 175.800 0.075 0.000 1.124 302 F CA -0.685 57.338 58.000 0.038 0.000 1.149 302 F CB 0.243 39.270 39.000 0.046 0.000 1.160 302 F HN 0.001 nan 8.300 nan 0.000 0.501 303 D N 2.923 123.418 120.400 0.158 0.000 2.329 303 D HA 0.212 4.858 4.640 0.010 0.000 0.246 303 D C 0.802 177.210 176.300 0.181 0.000 1.111 303 D CA 0.213 54.302 54.000 0.149 0.000 0.941 303 D CB 1.616 42.459 40.800 0.072 0.000 1.169 303 D HN 0.537 nan 8.370 nan 0.000 0.441 304 I N -1.132 119.519 120.570 0.135 0.000 4.530 304 I HA 0.155 4.330 4.170 0.010 0.000 0.318 304 I C 1.178 177.344 176.117 0.083 0.000 1.257 304 I CA 0.148 61.525 61.300 0.128 0.000 1.301 304 I CB 0.156 38.233 38.000 0.128 0.000 1.297 304 I HN 0.070 nan 8.210 nan 0.000 0.451 305 E N 1.504 121.733 120.200 0.049 0.000 2.472 305 E HA -0.123 4.233 4.350 0.010 0.000 0.200 305 E C 0.583 177.203 176.600 0.033 0.000 1.046 305 E CA 0.983 57.403 56.400 0.033 0.000 0.871 305 E CB 0.041 29.743 29.700 0.002 0.000 0.806 305 E HN 0.628 nan 8.360 nan 0.000 0.533 306 D N -0.629 119.794 120.400 0.038 0.000 2.394 306 D HA 0.123 4.769 4.640 0.010 0.000 0.226 306 D C -0.128 176.196 176.300 0.040 0.000 0.990 306 D CA 0.434 54.452 54.000 0.029 0.000 0.902 306 D CB 0.601 41.412 40.800 0.017 0.000 1.038 306 D HN -0.033 nan 8.370 nan 0.000 0.499 307 L N -0.658 120.602 121.223 0.061 0.000 2.401 307 L HA 0.542 4.888 4.340 0.010 0.000 0.266 307 L C 0.733 177.669 176.870 0.110 0.000 0.991 307 L CA -0.874 54.013 54.840 0.077 0.000 0.818 307 L CB 2.231 44.333 42.059 0.072 0.000 1.321 307 L HN -0.137 nan 8.230 nan 0.000 0.413 308 G N 0.249 109.114 108.800 0.109 0.000 3.316 308 G HA2 0.304 4.270 3.960 0.010 0.000 0.255 308 G HA3 0.304 4.270 3.960 0.010 0.000 0.255 308 G C -0.203 174.783 174.900 0.144 0.000 0.880 308 G CA -0.076 45.090 45.100 0.111 0.000 1.956 308 G HN 0.722 nan 8.290 nan 0.000 0.634 309 D N 0.610 121.131 120.400 0.202 0.000 2.804 309 D HA -0.019 4.626 4.640 0.010 0.000 0.308 309 D C 1.539 177.997 176.300 0.263 0.000 1.371 309 D CA -0.753 53.435 54.000 0.313 0.000 0.823 309 D CB -0.005 41.111 40.800 0.527 0.000 1.126 309 D HN 0.192 nan 8.370 nan 0.000 0.467 310 L N 0.691 121.987 121.223 0.121 0.000 2.127 310 L HA -0.072 4.274 4.340 0.010 0.000 0.211 310 L C 2.171 178.996 176.870 -0.074 0.000 1.089 310 L CA 1.595 56.449 54.840 0.023 0.000 0.757 310 L CB -0.385 41.688 42.059 0.023 0.000 0.899 310 L HN 0.080 nan 8.230 nan 0.000 0.434 311 R N -0.908 119.519 120.500 -0.121 0.000 2.117 311 R HA -0.253 4.093 4.340 0.010 0.000 0.243 311 R C 2.010 178.138 176.300 -0.288 0.000 1.143 311 R CA 2.292 58.240 56.100 -0.253 0.000 0.968 311 R CB -0.710 29.359 30.300 -0.384 0.000 0.863 311 R HN 0.534 nan 8.270 nan 0.000 0.444 312 Y N 0.261 120.551 120.300 -0.016 0.000 2.365 312 Y HA -0.091 4.464 4.550 0.009 0.000 0.293 312 Y C 2.126 177.886 175.900 -0.233 0.000 1.119 312 Y CA 0.676 58.768 58.100 -0.013 0.000 1.203 312 Y CB -0.539 38.013 38.460 0.154 0.000 1.026 312 Y HN 0.033 nan 8.280 nan 0.000 0.549 313 L N 0.398 121.353 121.223 -0.446 0.000 2.079 313 L HA -0.197 4.149 4.340 0.010 0.000 0.210 313 L C 2.127 178.764 176.870 -0.388 0.000 1.081 313 L CA 1.841 56.131 54.840 -0.917 0.000 0.752 313 L CB -0.285 41.227 42.059 -0.911 0.000 0.896 313 L HN -0.002 nan 8.230 nan 0.000 0.433 314 R N -0.125 120.240 120.500 -0.225 0.000 2.161 314 R HA -0.009 4.337 4.340 0.010 0.000 0.213 314 R C 2.114 178.358 176.300 -0.093 0.000 1.055 314 R CA 1.119 57.137 56.100 -0.137 0.000 0.996 314 R CB -0.429 29.806 30.300 -0.107 0.000 0.901 314 R HN 0.583 nan 8.270 nan 0.000 0.456 315 E N 0.436 120.593 120.200 -0.072 0.000 2.150 315 E HA -0.155 4.200 4.350 0.010 0.000 0.193 315 E C 1.947 178.540 176.600 -0.011 0.000 0.985 315 E CA 0.743 57.130 56.400 -0.021 0.000 0.814 315 E CB 0.174 29.893 29.700 0.033 0.000 0.752 315 E HN 0.201 nan 8.360 nan 0.000 0.466 316 Q N 0.279 120.061 119.800 -0.031 0.000 2.020 316 Q HA -0.094 4.252 4.340 0.010 0.000 0.198 316 Q C 2.434 178.412 176.000 -0.037 0.000 0.974 316 Q CA 0.866 56.656 55.803 -0.020 0.000 0.829 316 Q CB -0.716 28.008 28.738 -0.024 0.000 0.894 316 Q HN 0.226 nan 8.270 nan 0.000 0.433 317 V N 1.113 120.984 119.914 -0.071 0.000 2.515 317 V HA -0.176 3.949 4.120 0.010 0.000 0.250 317 V C 2.095 178.164 176.094 -0.042 0.000 1.058 317 V CA 1.753 64.019 62.300 -0.058 0.000 1.064 317 V CB -0.631 31.149 31.823 -0.072 0.000 0.675 317 V HN 0.329 nan 8.190 nan 0.000 0.461 318 A N -0.246 122.549 122.820 -0.042 0.000 1.858 318 A HA -0.254 4.072 4.320 0.010 0.000 0.216 318 A C 2.281 179.852 177.584 -0.021 0.000 1.190 318 A CA 2.204 54.222 52.037 -0.031 0.000 0.617 318 A CB -0.602 18.380 19.000 -0.030 0.000 0.827 318 A HN 0.574 nan 8.150 nan 0.000 0.443 319 K N -1.089 119.303 120.400 -0.014 0.000 2.057 319 K HA -0.161 4.165 4.320 0.010 0.000 0.207 319 K C 2.379 178.974 176.600 -0.009 0.000 1.049 319 K CA 1.610 57.893 56.287 -0.007 0.000 0.931 319 K CB -0.147 32.354 32.500 0.002 0.000 0.714 319 K HN 0.374 nan 8.250 nan 0.000 0.440 320 R N 0.595 121.088 120.500 -0.012 0.000 2.091 320 R HA -0.124 4.222 4.340 0.010 0.000 0.238 320 R C 1.903 178.193 176.300 -0.017 0.000 1.136 320 R CA 1.366 57.457 56.100 -0.014 0.000 0.959 320 R CB -0.257 30.033 30.300 -0.017 0.000 0.856 320 R HN -0.015 nan 8.270 nan 0.000 0.437 321 V N -0.933 118.969 119.914 -0.021 0.000 2.591 321 V HA 0.137 4.263 4.120 0.010 0.000 0.249 321 V C 1.337 177.420 176.094 -0.018 0.000 1.053 321 V CA 1.364 63.651 62.300 -0.022 0.000 1.068 321 V CB 0.006 31.812 31.823 -0.028 0.000 0.689 321 V HN 0.725 nan 8.190 nan 0.000 0.462 322 G N 0.931 109.721 108.800 -0.016 0.000 2.131 322 G HA2 -0.183 3.782 3.960 0.010 0.000 0.201 322 G HA3 -0.183 3.782 3.960 0.010 0.000 0.201 322 G C -0.009 174.883 174.900 -0.013 0.000 1.000 322 G CA 0.190 45.283 45.100 -0.013 0.000 0.680 322 G HN 0.687 nan 8.290 nan 0.000 0.514 323 I N -2.416 118.145 120.570 -0.016 0.000 3.108 323 I HA 0.906 5.082 4.170 0.010 0.000 0.312 323 I C 0.660 176.767 176.117 -0.017 0.000 1.095 323 I CA -0.677 60.613 61.300 -0.016 0.000 1.000 323 I CB 1.717 39.705 38.000 -0.019 0.000 1.229 323 I HN 0.216 nan 8.210 nan 0.000 0.454 324 T N -0.197 114.347 114.554 -0.016 0.000 2.788 324 T HA 0.244 4.600 4.350 0.010 0.000 0.287 324 T C 1.252 175.938 174.700 -0.023 0.000 1.007 324 T CA -0.072 62.017 62.100 -0.017 0.000 1.005 324 T CB 1.457 70.316 68.868 -0.015 0.000 1.012 324 T HN 0.798 nan 8.240 nan 0.000 0.530 325 V N -0.905 118.993 119.914 -0.026 0.000 2.626 325 V HA -0.006 4.120 4.120 0.010 0.000 0.252 325 V C 2.206 178.281 176.094 -0.032 0.000 1.067 325 V CA 1.449 63.728 62.300 -0.035 0.000 1.081 325 V CB -1.336 30.460 31.823 -0.044 0.000 0.686 325 V HN 0.832 nan 8.190 nan 0.000 0.468 326 E N 1.897 122.081 120.200 -0.026 0.000 2.047 326 E HA -0.178 4.178 4.350 0.010 0.000 0.191 326 E C 2.252 178.840 176.600 -0.020 0.000 0.987 326 E CA 1.777 58.163 56.400 -0.023 0.000 0.799 326 E CB -0.433 29.256 29.700 -0.019 0.000 0.752 326 E HN 0.946 nan 8.360 nan 0.000 0.449 327 E N 0.832 121.020 120.200 -0.019 0.000 2.204 327 E HA -0.168 4.187 4.350 0.010 0.000 0.194 327 E C 2.057 178.645 176.600 -0.020 0.000 0.989 327 E CA 0.733 57.123 56.400 -0.017 0.000 0.824 327 E CB -0.243 29.448 29.700 -0.015 0.000 0.756 327 E HN 0.186 nan 8.360 nan 0.000 0.477 328 L N 1.992 123.200 121.223 -0.025 0.000 2.005 328 L HA -0.177 4.168 4.340 0.010 0.000 0.207 328 L C 2.525 179.378 176.870 -0.028 0.000 1.072 328 L CA 2.439 57.261 54.840 -0.030 0.000 0.744 328 L CB -0.602 41.435 42.059 -0.037 0.000 0.895 328 L HN 0.125 nan 8.230 nan 0.000 0.433 329 E N 0.174 120.358 120.200 -0.027 0.000 2.070 329 E HA -0.311 4.044 4.350 0.010 0.000 0.197 329 E C 2.294 178.885 176.600 -0.015 0.000 1.004 329 E CA 2.083 58.469 56.400 -0.023 0.000 0.805 329 E CB -0.403 29.282 29.700 -0.025 0.000 0.744 329 E HN 0.495 nan 8.360 nan 0.000 0.451 330 K N -0.496 119.896 120.400 -0.013 0.000 2.044 330 K HA -0.210 4.116 4.320 0.010 0.000 0.210 330 K C 2.061 178.663 176.600 0.005 0.000 1.049 330 K CA 1.583 57.866 56.287 -0.007 0.000 0.927 330 K CB -0.356 32.139 32.500 -0.008 0.000 0.713 330 K HN 0.250 nan 8.250 nan 0.000 0.443 331 A N 0.897 123.718 122.820 0.002 0.000 1.872 331 A HA -0.094 4.231 4.320 0.010 0.000 0.214 331 A C 2.070 179.676 177.584 0.036 0.000 1.187 331 A CA 1.214 53.258 52.037 0.012 0.000 0.614 331 A CB -0.348 18.640 19.000 -0.020 0.000 0.826 331 A HN 0.448 nan 8.150 nan 0.000 0.442 332 I N -1.549 119.023 120.570 0.004 0.000 2.716 332 I HA -0.068 4.108 4.170 0.010 0.000 0.259 332 I C 2.414 178.564 176.117 0.055 0.000 1.172 332 I CA 0.756 62.062 61.300 0.009 0.000 1.478 332 I CB -0.019 37.967 38.000 -0.023 0.000 1.104 332 I HN 0.263 nan 8.210 nan 0.000 0.439 333 R N 2.010 122.522 120.500 0.019 0.000 2.083 333 R HA -0.137 4.209 4.340 0.010 0.000 0.237 333 R C -0.838 175.429 176.300 -0.054 0.000 1.137 333 R CA 2.180 58.268 56.100 -0.020 0.000 0.951 333 R CB -1.883 28.401 30.300 -0.027 0.000 0.851 333 R HN 0.213 nan 8.270 nan 0.000 0.434 334 P HA -0.111 nan 4.420 nan 0.000 0.218 334 P C 0.613 177.742 177.300 -0.285 0.000 1.148 334 P CA 1.261 64.273 63.100 -0.147 0.000 0.822 334 P CB -0.138 31.480 31.700 -0.137 0.000 0.784 335 Y N 0.203 120.321 120.300 -0.303 0.000 2.220 335 Y HA -0.118 4.437 4.550 0.010 0.000 0.291 335 Y C 2.350 177.840 175.900 -0.684 0.000 1.129 335 Y CA 1.230 58.995 58.100 -0.559 0.000 1.161 335 Y CB -0.951 37.248 38.460 -0.434 0.000 0.997 335 Y HN 0.040 nan 8.280 nan 0.000 0.522 336 E N 0.131 120.227 120.200 -0.174 0.000 2.085 336 E HA -0.213 4.143 4.350 0.010 0.000 0.194 336 E C 2.104 178.517 176.600 -0.313 0.000 0.994 336 E CA 1.468 57.785 56.400 -0.139 0.000 0.801 336 E CB -0.401 29.249 29.700 -0.083 0.000 0.743 336 E HN 0.436 nan 8.360 nan 0.000 0.453 337 L N 0.533 121.541 121.223 -0.358 0.000 2.017 337 L HA -0.195 4.151 4.340 0.010 0.000 0.208 337 L C 2.492 179.129 176.870 -0.388 0.000 1.073 337 L CA 0.989 55.560 54.840 -0.448 0.000 0.745 337 L CB -0.348 41.525 42.059 -0.310 0.000 0.894 337 L HN 0.139 nan 8.230 nan 0.000 0.432 338 I N -1.485 118.844 120.570 -0.403 0.000 2.179 338 I HA -0.325 3.850 4.170 0.010 0.000 0.242 338 I C 2.482 178.405 176.117 -0.324 0.000 1.088 338 I CA 1.345 62.416 61.300 -0.380 0.000 1.357 338 I CB -0.308 37.396 38.000 -0.492 0.000 1.051 338 I HN 0.139 nan 8.210 nan 0.000 0.409 339 Y N 0.684 120.766 120.300 -0.364 0.000 2.165 339 Y HA -0.227 4.328 4.550 0.009 0.000 0.286 339 Y C 2.603 178.129 175.900 -0.624 0.000 1.155 339 Y CA 0.841 58.594 58.100 -0.578 0.000 1.164 339 Y CB -1.328 36.608 38.460 -0.872 0.000 0.978 339 Y HN 0.141 nan 8.280 nan 0.000 0.513 340 A N 0.088 122.654 122.820 -0.425 0.000 1.873 340 A HA -0.129 4.197 4.320 0.010 0.000 0.215 340 A C 2.324 179.541 177.584 -0.611 0.000 1.186 340 A CA 1.611 53.276 52.037 -0.621 0.000 0.616 340 A CB -1.083 17.578 19.000 -0.566 0.000 0.823 340 A HN 0.413 nan 8.150 nan 0.000 0.442 341 I N -0.074 120.315 120.570 -0.301 0.000 2.163 341 I HA -0.311 3.865 4.170 0.010 0.000 0.243 341 I C 2.997 179.083 176.117 -0.052 0.000 1.085 341 I CA 1.173 62.398 61.300 -0.125 0.000 1.347 341 I CB -0.361 37.597 38.000 -0.070 0.000 1.044 341 I HN 0.357 nan 8.210 nan 0.000 0.408 342 A N 0.268 123.051 122.820 -0.061 0.000 1.883 342 A HA -0.318 4.007 4.320 0.010 0.000 0.217 342 A C 2.195 179.860 177.584 0.136 0.000 1.186 342 A CA 2.272 54.349 52.037 0.067 0.000 0.624 342 A CB -0.873 18.130 19.000 0.005 0.000 0.822 342 A HN 0.563 nan 8.150 nan 0.000 0.444 343 D N -1.400 119.013 120.400 0.022 0.000 2.097 343 D HA -0.228 4.418 4.640 0.010 0.000 0.195 343 D C 1.677 178.074 176.300 0.162 0.000 0.989 343 D CA 1.636 55.710 54.000 0.123 0.000 0.827 343 D CB -0.249 40.597 40.800 0.077 0.000 0.966 343 D HN 0.537 nan 8.370 nan 0.000 0.456 344 H N 0.117 119.173 119.070 -0.022 0.000 2.389 344 H HA -0.062 4.499 4.556 0.009 0.000 0.299 344 H C 2.374 177.669 175.328 -0.055 0.000 1.081 344 H CA 1.966 57.986 56.048 -0.047 0.000 1.345 344 H CB -0.949 28.787 29.762 -0.044 0.000 1.393 344 H HN 0.355 nan 8.280 nan 0.000 0.520 345 T N -1.411 113.200 114.554 0.094 0.000 2.915 345 T HA -0.103 4.253 4.350 0.010 0.000 0.269 345 T C 1.933 176.491 174.700 -0.236 0.000 1.071 345 T CA 1.259 63.376 62.100 0.029 0.000 1.132 345 T CB 0.223 69.208 68.868 0.194 0.000 0.878 345 T HN 0.296 nan 8.240 nan 0.000 0.479 346 K N 1.366 121.479 120.400 -0.478 0.000 2.044 346 K HA 0.179 4.505 4.320 0.010 0.000 0.204 346 K C 2.694 179.242 176.600 -0.087 0.000 1.049 346 K CA 0.882 56.830 56.287 -0.565 0.000 0.945 346 K CB -0.571 31.697 32.500 -0.387 0.000 0.724 346 K HN 0.334 nan 8.250 nan 0.000 0.440 347 A N 1.670 124.475 122.820 -0.026 0.000 1.892 347 A HA -0.179 4.147 4.320 0.010 0.000 0.218 347 A C 2.132 179.727 177.584 0.019 0.000 1.188 347 A CA 1.535 53.576 52.037 0.008 0.000 0.631 347 A CB -0.767 18.206 19.000 -0.045 0.000 0.822 347 A HN 0.343 nan 8.150 nan 0.000 0.447 348 L N -0.797 120.409 121.223 -0.029 0.000 2.083 348 L HA -0.158 4.188 4.340 0.010 0.000 0.209 348 L C 2.793 179.592 176.870 -0.119 0.000 1.083 348 L CA 1.663 56.474 54.840 -0.048 0.000 0.752 348 L CB -0.748 41.282 42.059 -0.048 0.000 0.899 348 L HN 0.382 nan 8.230 nan 0.000 0.433 349 T N -0.430 113.994 114.554 -0.216 0.000 2.708 349 T HA -0.173 4.183 4.350 0.010 0.000 0.266 349 T C 1.624 175.951 174.700 -0.621 0.000 1.037 349 T CA 1.502 63.307 62.100 -0.493 0.000 1.146 349 T CB -0.373 68.081 68.868 -0.690 0.000 0.865 349 T HN 0.093 nan 8.240 nan 0.000 0.435 350 F N 1.004 120.703 119.950 -0.418 0.000 2.102 350 F HA -0.018 4.516 4.527 0.011 0.000 0.298 350 F C 2.540 178.300 175.800 -0.067 0.000 1.105 350 F CA 1.211 59.119 58.000 -0.153 0.000 1.239 350 F CB -0.549 38.403 39.000 -0.079 0.000 0.991 350 F HN 0.069 nan 8.300 nan 0.000 0.474 351 M N -0.380 119.286 119.600 0.111 0.000 2.065 351 M HA -0.243 4.242 4.480 0.010 0.000 0.259 351 M C 2.182 178.494 176.300 0.020 0.000 1.069 351 M CA 1.727 57.065 55.300 0.063 0.000 1.110 351 M CB -0.672 31.956 32.600 0.048 0.000 1.328 351 M HN 0.136 nan 8.290 nan 0.000 0.405 352 L N -0.665 120.537 121.223 -0.035 0.000 2.156 352 L HA -0.085 4.260 4.340 0.010 0.000 0.208 352 L C 2.785 179.642 176.870 -0.021 0.000 1.095 352 L CA 0.912 55.720 54.840 -0.053 0.000 0.770 352 L CB -1.092 40.899 42.059 -0.114 0.000 0.914 352 L HN 0.305 nan 8.230 nan 0.000 0.439 353 A N 0.023 122.825 122.820 -0.029 0.000 1.933 353 A HA -0.201 4.125 4.320 0.010 0.000 0.218 353 A C 1.658 179.328 177.584 0.143 0.000 1.175 353 A CA 1.820 53.900 52.037 0.071 0.000 0.628 353 A CB -0.376 18.707 19.000 0.138 0.000 0.814 353 A HN 0.324 nan 8.150 nan 0.000 0.444 354 D N -1.679 118.802 120.400 0.135 0.000 2.340 354 D HA 0.315 4.961 4.640 0.010 0.000 0.220 354 D C 1.202 177.544 176.300 0.070 0.000 1.039 354 D CA 1.110 55.194 54.000 0.139 0.000 0.866 354 D CB 0.284 41.178 40.800 0.157 0.000 0.913 354 D HN 0.593 nan 8.370 nan 0.000 0.523 355 G N -0.288 108.558 108.800 0.076 0.000 2.168 355 G HA2 -0.233 3.733 3.960 0.010 0.000 0.197 355 G HA3 -0.233 3.733 3.960 0.010 0.000 0.197 355 G C 0.216 175.140 174.900 0.041 0.000 0.997 355 G CA -0.175 44.974 45.100 0.080 0.000 0.658 355 G HN 0.218 nan 8.290 nan 0.000 0.513 356 V N 1.365 121.289 119.914 0.017 0.000 2.479 356 V HA 0.424 4.550 4.120 0.010 0.000 0.281 356 V C 0.801 176.909 176.094 0.024 0.000 1.031 356 V CA -0.230 62.073 62.300 0.005 0.000 1.038 356 V CB 1.564 33.385 31.823 -0.004 0.000 0.981 356 V HN 0.239 nan 8.190 nan 0.000 0.478 357 V N 8.270 128.215 119.914 0.052 0.000 2.370 357 V HA 0.314 4.439 4.120 0.010 0.000 0.283 357 V C -2.177 173.940 176.094 0.039 0.000 1.023 357 V CA -2.039 60.303 62.300 0.070 0.000 0.857 357 V CB 1.602 33.526 31.823 0.167 0.000 0.985 357 V HN 0.754 nan 8.190 nan 0.000 0.443 358 P HA 0.171 nan 4.420 nan 0.000 0.262 358 P C -0.145 177.166 177.300 0.018 0.000 1.182 358 P CA 0.584 63.681 63.100 -0.005 0.000 0.761 358 P CB 0.561 32.241 31.700 -0.033 0.000 0.795 359 S N 1.956 117.667 115.700 0.018 0.000 2.694 359 S HA 0.334 4.810 4.470 0.010 0.000 0.273 359 S C -0.010 174.624 174.600 0.056 0.000 1.180 359 S CA -0.743 57.480 58.200 0.038 0.000 0.864 359 S CB 0.613 63.846 63.200 0.054 0.000 1.198 359 S HN 0.209 nan 8.310 nan 0.000 0.499 360 N N 0.392 119.142 118.700 0.083 0.000 2.270 360 N HA 0.276 5.021 4.740 0.010 0.000 0.198 360 N C 0.358 175.996 175.510 0.215 0.000 1.117 360 N CA 0.666 53.814 53.050 0.164 0.000 0.845 360 N CB 0.614 39.160 38.487 0.100 0.000 0.980 360 N HN 0.688 nan 8.380 nan 0.000 0.486 364 G N -0.551 108.254 108.800 0.009 0.000 2.440 364 G HA2 -0.214 3.752 3.960 0.010 0.000 0.218 364 G HA3 -0.214 3.752 3.960 0.010 0.000 0.218 364 G C 1.370 176.291 174.900 0.035 0.000 1.154 364 G CA 1.782 46.895 45.100 0.023 0.000 0.767 364 G HN 0.718 nan 8.290 nan 0.000 0.552 365 Y N 1.111 121.368 120.300 -0.070 0.000 2.207 365 Y HA -0.082 4.474 4.550 0.010 0.000 0.287 365 Y C 2.475 178.311 175.900 -0.107 0.000 1.156 365 Y CA 1.497 59.556 58.100 -0.068 0.000 1.182 365 Y CB -0.158 38.257 38.460 -0.076 0.000 0.979 365 Y HN 0.137 nan 8.280 nan 0.000 0.521 366 L N -0.648 120.558 121.223 -0.029 0.000 2.109 366 L HA -0.108 4.238 4.340 0.010 0.000 0.207 366 L C 2.791 179.592 176.870 -0.115 0.000 1.086 366 L CA 0.891 55.562 54.840 -0.281 0.000 0.760 366 L CB -0.919 40.764 42.059 -0.626 0.000 0.910 366 L HN 0.299 nan 8.230 nan 0.000 0.437 367 A N 0.362 123.157 122.820 -0.041 0.000 1.902 367 A HA -0.252 4.074 4.320 0.010 0.000 0.217 367 A C 2.423 179.970 177.584 -0.062 0.000 1.181 367 A CA 1.848 53.879 52.037 -0.011 0.000 0.623 367 A CB -0.568 18.423 19.000 -0.015 0.000 0.818 367 A HN 0.350 nan 8.150 nan 0.000 0.443 368 R N -0.807 119.631 120.500 -0.103 0.000 2.081 368 R HA -0.138 4.208 4.340 0.010 0.000 0.235 368 R C 2.040 178.250 176.300 -0.149 0.000 1.131 368 R CA 1.646 57.663 56.100 -0.138 0.000 0.960 368 R CB -0.466 29.742 30.300 -0.153 0.000 0.856 368 R HN 0.406 nan 8.270 nan 0.000 0.436 369 L N 1.246 122.361 121.223 -0.180 0.000 1.990 369 L HA -0.197 4.149 4.340 0.010 0.000 0.213 369 L C 2.034 178.832 176.870 -0.120 0.000 1.072 369 L CA 1.799 56.551 54.840 -0.147 0.000 0.755 369 L CB -0.595 41.321 42.059 -0.239 0.000 0.889 369 L HN 0.288 nan 8.230 nan 0.000 0.432 370 L N -1.238 119.935 121.223 -0.083 0.000 2.046 370 L HA -0.253 4.093 4.340 0.010 0.000 0.208 370 L C 2.536 179.355 176.870 -0.084 0.000 1.077 370 L CA 1.553 56.320 54.840 -0.122 0.000 0.747 370 L CB -0.485 41.525 42.059 -0.082 0.000 0.896 370 L HN 0.302 nan 8.230 nan 0.000 0.432 371 I N -0.444 120.072 120.570 -0.090 0.000 2.179 371 I HA -0.312 3.864 4.170 0.010 0.000 0.242 371 I C 2.783 178.813 176.117 -0.145 0.000 1.088 371 I CA 1.441 62.682 61.300 -0.097 0.000 1.357 371 I CB -0.251 37.681 38.000 -0.113 0.000 1.051 371 I HN 0.175 nan 8.210 nan 0.000 0.409 372 R N 0.431 120.788 120.500 -0.239 0.000 2.075 372 R HA -0.164 4.182 4.340 0.010 0.000 0.232 372 R C 2.352 178.578 176.300 -0.123 0.000 1.126 372 R CA 1.197 57.086 56.100 -0.351 0.000 0.963 372 R CB -0.279 29.735 30.300 -0.477 0.000 0.858 372 R HN 0.261 nan 8.270 nan 0.000 0.435 373 K N 0.457 120.764 120.400 -0.156 0.000 2.026 373 K HA -0.114 4.212 4.320 0.010 0.000 0.208 373 K C 1.998 178.357 176.600 -0.402 0.000 1.048 373 K CA 1.834 57.920 56.287 -0.335 0.000 0.929 373 K CB 0.055 32.246 32.500 -0.514 0.000 0.713 373 K HN 0.038 nan 8.250 nan 0.000 0.439 374 S N 0.976 116.591 115.700 -0.142 0.000 2.382 374 S HA -0.097 4.378 4.470 0.010 0.000 0.228 374 S C 1.886 176.485 174.600 -0.002 0.000 1.027 374 S CA 1.182 59.367 58.200 -0.025 0.000 0.991 374 S CB -0.204 63.030 63.200 0.056 0.000 0.823 374 S HN 0.267 nan 8.310 nan 0.000 0.469 375 I N 1.200 121.772 120.570 0.002 0.000 2.226 375 I HA -0.165 4.011 4.170 0.010 0.000 0.245 375 I C 2.523 178.689 176.117 0.081 0.000 1.100 375 I CA 0.954 62.293 61.300 0.065 0.000 1.374 375 I CB -0.156 37.925 38.000 0.135 0.000 1.057 375 I HN 0.117 nan 8.210 nan 0.000 0.413 376 R N -0.099 120.437 120.500 0.060 0.000 2.092 376 R HA -0.111 4.235 4.340 0.010 0.000 0.231 376 R C 2.175 178.526 176.300 0.084 0.000 1.119 376 R CA 1.160 57.301 56.100 0.069 0.000 0.970 376 R CB -1.080 29.267 30.300 0.077 0.000 0.864 376 R HN 0.442 nan 8.270 nan 0.000 0.440 377 H N 0.962 120.044 119.070 0.021 0.000 2.353 377 H HA 0.010 4.571 4.556 0.009 0.000 0.300 377 H C 2.213 177.520 175.328 -0.036 0.000 1.090 377 H CA 0.948 56.980 56.048 -0.026 0.000 1.327 377 H CB -0.362 29.356 29.762 -0.074 0.000 1.383 377 H HN 0.069 nan 8.280 nan 0.000 0.508 378 L N 0.109 121.393 121.223 0.102 0.000 2.079 378 L HA -0.188 4.158 4.340 0.010 0.000 0.210 378 L C 2.791 179.677 176.870 0.026 0.000 1.081 378 L CA 1.245 56.108 54.840 0.037 0.000 0.752 378 L CB -0.258 41.819 42.059 0.029 0.000 0.896 378 L HN 0.169 nan 8.230 nan 0.000 0.433 379 R N 0.211 120.737 120.500 0.043 0.000 2.075 379 R HA -0.203 4.143 4.340 0.010 0.000 0.232 379 R C 2.230 178.543 176.300 0.021 0.000 1.126 379 R CA 1.576 57.693 56.100 0.028 0.000 0.963 379 R CB -0.089 30.232 30.300 0.034 0.000 0.858 379 R HN 0.340 nan 8.270 nan 0.000 0.435 380 E N 0.403 120.626 120.200 0.039 0.000 2.110 380 E HA -0.178 4.177 4.350 0.010 0.000 0.193 380 E C 1.895 178.490 176.600 -0.008 0.000 0.988 380 E CA 0.878 57.294 56.400 0.025 0.000 0.804 380 E CB -0.012 29.720 29.700 0.053 0.000 0.745 380 E HN 0.385 nan 8.360 nan 0.000 0.458 381 L N -0.461 120.750 121.223 -0.020 0.000 2.362 381 L HA -0.034 4.312 4.340 0.010 0.000 0.219 381 L C 1.507 178.350 176.870 -0.044 0.000 1.134 381 L CA 0.767 55.575 54.840 -0.054 0.000 0.807 381 L CB -0.122 41.891 42.059 -0.077 0.000 0.927 381 L HN 0.500 nan 8.230 nan 0.000 0.447 382 G N 0.287 109.071 108.800 -0.026 0.000 2.136 382 G HA2 -0.297 3.669 3.960 0.010 0.000 0.242 382 G HA3 -0.297 3.669 3.960 0.010 0.000 0.242 382 G C 0.121 175.006 174.900 -0.024 0.000 0.989 382 G CA -0.115 44.971 45.100 -0.023 0.000 0.682 382 G HN 0.241 nan 8.290 nan 0.000 0.522 383 L N 1.125 122.333 121.223 -0.025 0.000 2.255 383 L HA 0.378 4.724 4.340 0.010 0.000 0.289 383 L C 0.355 177.217 176.870 -0.013 0.000 1.046 383 L CA -0.435 54.389 54.840 -0.026 0.000 0.816 383 L CB 0.582 42.618 42.059 -0.038 0.000 1.197 383 L HN 0.217 nan 8.230 nan 0.000 0.427 384 E N 4.429 124.622 120.200 -0.012 0.000 1.964 384 E HA 0.159 4.515 4.350 0.010 0.000 0.264 384 E C -0.863 175.734 176.600 -0.005 0.000 1.120 384 E CA -0.129 56.267 56.400 -0.006 0.000 1.061 384 E CB 1.202 30.899 29.700 -0.007 0.000 1.190 384 E HN 0.228 nan 8.360 nan 0.000 0.459 385 V N 3.119 123.031 119.914 -0.002 0.000 2.709 385 V HA 0.385 4.511 4.120 0.010 0.000 0.308 385 V C -2.498 173.601 176.094 0.007 0.000 1.062 385 V CA -2.608 59.692 62.300 -0.001 0.000 0.901 385 V CB 2.166 33.984 31.823 -0.008 0.000 1.003 385 V HN 0.324 nan 8.190 nan 0.000 0.425 386 P HA 0.149 nan 4.420 nan 0.000 0.268 386 P C 0.555 177.863 177.300 0.013 0.000 1.204 386 P CA -0.122 62.986 63.100 0.013 0.000 0.768 386 P CB 0.802 32.508 31.700 0.010 0.000 0.842 387 L N 3.643 124.877 121.223 0.018 0.000 2.079 387 L HA -0.220 4.126 4.340 0.010 0.000 0.210 387 L C 2.177 179.057 176.870 0.016 0.000 1.081 387 L CA 2.366 57.217 54.840 0.018 0.000 0.752 387 L CB -1.179 40.890 42.059 0.018 0.000 0.896 387 L HN 0.455 nan 8.230 nan 0.000 0.433 388 S N -1.425 114.279 115.700 0.006 0.000 2.402 388 S HA -0.304 4.172 4.470 0.010 0.000 0.233 388 S C 1.929 176.534 174.600 0.009 0.000 1.030 388 S CA 1.416 59.616 58.200 -0.000 0.000 1.003 388 S CB -0.727 62.468 63.200 -0.008 0.000 0.813 388 S HN 0.698 nan 8.310 nan 0.000 0.477 389 E N 0.583 120.789 120.200 0.011 0.000 2.150 389 E HA -0.093 4.263 4.350 0.010 0.000 0.193 389 E C 1.715 178.325 176.600 0.016 0.000 0.985 389 E CA 1.167 57.574 56.400 0.012 0.000 0.814 389 E CB -0.052 29.652 29.700 0.007 0.000 0.752 389 E HN 0.544 nan 8.360 nan 0.000 0.466 390 I N 0.559 121.141 120.570 0.021 0.000 2.333 390 I HA -0.154 4.021 4.170 0.010 0.000 0.246 390 I C 2.437 178.605 176.117 0.086 0.000 1.106 390 I CA 0.583 61.899 61.300 0.027 0.000 1.411 390 I CB -1.212 36.807 38.000 0.032 0.000 1.082 390 I HN 0.067 nan 8.210 nan 0.000 0.420 391 V N 1.915 121.890 119.914 0.102 0.000 2.332 391 V HA -0.283 3.843 4.120 0.010 0.000 0.248 391 V C 2.912 179.068 176.094 0.104 0.000 1.055 391 V CA 1.923 64.300 62.300 0.128 0.000 1.038 391 V CB -1.192 30.649 31.823 0.029 0.000 0.651 391 V HN 0.466 nan 8.190 nan 0.000 0.450 392 A N -0.437 122.416 122.820 0.055 0.000 1.978 392 A HA -0.179 4.147 4.320 0.010 0.000 0.220 392 A C 2.200 179.830 177.584 0.075 0.000 1.170 392 A CA 1.789 53.856 52.037 0.049 0.000 0.636 392 A CB -0.523 18.494 19.000 0.028 0.000 0.810 392 A HN 0.539 nan 8.150 nan 0.000 0.448 393 L N -1.398 119.857 121.223 0.055 0.000 2.093 393 L HA -0.170 4.176 4.340 0.010 0.000 0.208 393 L C 2.607 179.544 176.870 0.111 0.000 1.085 393 L CA 1.123 55.992 54.840 0.049 0.000 0.755 393 L CB -0.677 41.364 42.059 -0.029 0.000 0.904 393 L HN 0.486 nan 8.230 nan 0.000 0.435 394 H N -0.049 119.163 119.070 0.236 0.000 2.357 394 H HA 0.042 4.604 4.556 0.009 0.000 0.301 394 H C 1.448 176.893 175.328 0.195 0.000 1.082 394 H CA 0.577 56.792 56.048 0.277 0.000 1.342 394 H CB -0.035 29.831 29.762 0.175 0.000 1.389 394 H HN 0.214 nan 8.280 nan 0.000 0.511 398 L N 1.980 123.281 121.223 0.131 0.000 2.590 398 L HA 0.235 4.580 4.340 0.010 0.000 0.227 398 L C 2.137 179.126 176.870 0.199 0.000 1.099 398 L CA 0.662 55.656 54.840 0.257 0.000 0.872 398 L CB -0.282 42.093 42.059 0.526 0.000 1.088 398 L HN 0.331 nan 8.230 nan 0.000 0.479 399 H N 1.401 120.581 119.070 0.183 0.000 2.457 399 H HA -0.128 4.432 4.556 0.006 0.000 0.294 399 H C 1.523 176.846 175.328 -0.009 0.000 1.064 399 H CA 1.318 57.424 56.048 0.097 0.000 1.330 399 H CB -0.162 29.682 29.762 0.136 0.000 1.395 399 H HN 0.450 nan 8.280 nan 0.000 0.541 400 K N 0.822 120.926 120.400 -0.493 0.000 2.097 400 K HA -0.048 4.278 4.320 0.010 0.000 0.206 400 K C 1.803 178.262 176.600 -0.234 0.000 1.049 400 K CA 1.685 57.787 56.287 -0.309 0.000 0.933 400 K CB -0.274 32.039 32.500 -0.312 0.000 0.717 400 K HN 0.116 nan 8.250 nan 0.000 0.442 401 T N 0.415 114.792 114.554 -0.294 0.000 2.978 401 T HA 0.059 4.414 4.350 0.010 0.000 0.262 401 T C 0.020 174.233 174.700 -0.811 0.000 1.063 401 T CA 0.635 62.416 62.100 -0.532 0.000 1.140 401 T CB -0.030 68.457 68.868 -0.634 0.000 0.886 401 T HN 0.112 nan 8.240 nan 0.000 0.470 402 F N 1.750 121.491 119.950 -0.348 0.000 2.449 402 F HA 0.353 4.886 4.527 0.010 0.000 0.344 402 F C -1.849 173.677 175.800 -0.456 0.000 1.180 402 F CA -2.748 54.894 58.000 -0.597 0.000 1.209 402 F CB 1.273 39.414 39.000 -1.431 0.000 1.440 402 F HN -0.085 nan 8.300 nan 0.000 0.526 403 P HA -0.263 nan 4.420 nan 0.000 0.218 403 P C 1.426 178.766 177.300 0.067 0.000 1.146 403 P CA 1.605 64.720 63.100 0.026 0.000 0.813 403 P CB 0.197 31.907 31.700 0.018 0.000 0.778 404 E N -0.642 119.584 120.200 0.043 0.000 2.171 404 E HA -0.178 4.178 4.350 0.010 0.000 0.197 404 E C 0.885 177.649 176.600 0.274 0.000 0.997 404 E CA 0.726 57.209 56.400 0.137 0.000 0.810 404 E CB -0.980 28.814 29.700 0.157 0.000 0.738 404 E HN 0.143 nan 8.360 nan 0.000 0.467 408 M N 1.180 120.843 119.600 0.105 0.000 2.431 408 M HA 0.192 4.678 4.480 0.010 0.000 0.237 408 M C 1.600 177.920 176.300 0.034 0.000 1.130 408 M CA 0.700 56.051 55.300 0.085 0.000 1.002 408 M CB 0.022 32.685 32.600 0.106 0.000 1.524 408 M HN 0.157 nan 8.290 nan 0.000 0.482 409 E N 1.285 121.504 120.200 0.032 0.000 2.051 409 E HA -0.230 4.126 4.350 0.010 0.000 0.192 409 E C 0.973 177.560 176.600 -0.021 0.000 0.991 409 E CA 1.649 58.048 56.400 -0.001 0.000 0.799 409 E CB 0.335 30.034 29.700 -0.001 0.000 0.748 409 E HN 0.325 nan 8.360 nan 0.000 0.449 410 D N 0.394 120.792 120.400 -0.003 0.000 2.104 410 D HA -0.182 4.464 4.640 0.010 0.000 0.194 410 D C 2.013 178.292 176.300 -0.035 0.000 0.994 410 D CA 1.142 55.141 54.000 -0.002 0.000 0.830 410 D CB -0.226 40.592 40.800 0.029 0.000 0.959 410 D HN 0.319 nan 8.370 nan 0.000 0.452 411 I N 0.362 120.903 120.570 -0.049 0.000 2.252 411 I HA -0.183 3.992 4.170 0.010 0.000 0.245 411 I C 2.349 178.282 176.117 -0.307 0.000 1.102 411 I CA 0.529 61.722 61.300 -0.179 0.000 1.385 411 I CB -0.067 37.862 38.000 -0.119 0.000 1.064 411 I HN -0.052 nan 8.210 nan 0.000 0.414 412 I N 0.477 120.933 120.570 -0.189 0.000 2.163 412 I HA -0.321 3.855 4.170 0.010 0.000 0.243 412 I C 2.389 178.401 176.117 -0.174 0.000 1.085 412 I CA 1.626 62.814 61.300 -0.188 0.000 1.347 412 I CB -0.322 37.594 38.000 -0.140 0.000 1.044 412 I HN 0.190 nan 8.210 nan 0.000 0.408 413 L N 0.009 121.158 121.223 -0.122 0.000 2.141 413 L HA -0.181 4.165 4.340 0.010 0.000 0.209 413 L C 2.558 179.371 176.870 -0.095 0.000 1.094 413 L CA 1.182 55.971 54.840 -0.085 0.000 0.763 413 L CB -0.562 41.469 42.059 -0.047 0.000 0.908 413 L HN 0.338 nan 8.230 nan 0.000 0.437 414 E N 0.429 120.552 120.200 -0.128 0.000 2.072 414 E HA -0.209 4.147 4.350 0.010 0.000 0.191 414 E C 2.372 178.866 176.600 -0.176 0.000 0.985 414 E CA 0.974 57.308 56.400 -0.110 0.000 0.801 414 E CB 0.040 29.705 29.700 -0.058 0.000 0.750 414 E HN 0.414 nan 8.360 nan 0.000 0.452 415 M N 0.475 119.852 119.600 -0.371 0.000 2.108 415 M HA -0.207 4.279 4.480 0.010 0.000 0.261 415 M C 2.193 178.398 176.300 -0.158 0.000 1.066 415 M CA 1.122 56.215 55.300 -0.345 0.000 1.107 415 M CB -0.183 32.145 32.600 -0.452 0.000 1.356 415 M HN 0.213 nan 8.290 nan 0.000 0.406 416 I N -0.017 120.474 120.570 -0.132 0.000 2.202 416 I HA -0.222 3.954 4.170 0.010 0.000 0.242 416 I C 2.407 178.499 176.117 -0.041 0.000 1.091 416 I CA 1.462 62.717 61.300 -0.075 0.000 1.368 416 I CB -1.440 36.524 38.000 -0.061 0.000 1.058 416 I HN 0.305 nan 8.210 nan 0.000 0.410 417 E N 0.914 121.092 120.200 -0.036 0.000 2.058 417 E HA -0.194 4.162 4.350 0.010 0.000 0.194 417 E C 2.436 179.041 176.600 0.008 0.000 0.997 417 E CA 1.127 57.523 56.400 -0.008 0.000 0.801 417 E CB -0.352 29.345 29.700 -0.005 0.000 0.746 417 E HN 0.457 nan 8.360 nan 0.000 0.450 418 L N 1.045 122.271 121.223 0.006 0.000 2.046 418 L HA -0.186 4.160 4.340 0.010 0.000 0.208 418 L C 2.495 179.381 176.870 0.028 0.000 1.077 418 L CA 1.045 55.903 54.840 0.029 0.000 0.747 418 L CB -0.297 41.796 42.059 0.056 0.000 0.896 418 L HN 0.031 nan 8.230 nan 0.000 0.432 419 E N -0.064 120.139 120.200 0.006 0.000 2.077 419 E HA -0.280 4.076 4.350 0.010 0.000 0.193 419 E C 1.972 178.599 176.600 0.044 0.000 0.989 419 E CA 1.408 57.809 56.400 0.003 0.000 0.800 419 E CB -0.036 29.638 29.700 -0.043 0.000 0.746 419 E HN 0.530 nan 8.360 nan 0.000 0.452 420 E N 1.379 121.607 120.200 0.047 0.000 2.028 420 E HA -0.150 4.206 4.350 0.010 0.000 0.191 420 E C 1.023 177.691 176.600 0.114 0.000 0.988 420 E CA 0.957 57.415 56.400 0.097 0.000 0.799 420 E CB 0.008 29.745 29.700 0.062 0.000 0.755 420 E HN 0.034 nan 8.360 nan 0.000 0.447 424 A N 1.110 123.900 122.820 -0.050 0.000 1.908 424 A HA -0.249 4.077 4.320 0.010 0.000 0.218 424 A C 1.795 179.314 177.584 -0.109 0.000 1.181 424 A CA 2.248 54.210 52.037 -0.125 0.000 0.627 424 A CB -0.669 18.302 19.000 -0.048 0.000 0.818 424 A HN 0.675 nan 8.150 nan 0.000 0.445 425 E N -0.912 119.261 120.200 -0.046 0.000 2.072 425 E HA -0.137 4.219 4.350 0.010 0.000 0.191 425 E C 1.958 178.536 176.600 -0.037 0.000 0.985 425 E CA 1.508 57.889 56.400 -0.031 0.000 0.801 425 E CB -0.125 29.574 29.700 -0.001 0.000 0.750 425 E HN 0.566 nan 8.360 nan 0.000 0.452 426 T N 1.276 115.819 114.554 -0.018 0.000 2.803 426 T HA -0.170 4.186 4.350 0.010 0.000 0.269 426 T C 1.677 176.337 174.700 -0.067 0.000 1.052 426 T CA 0.855 62.956 62.100 0.003 0.000 1.136 426 T CB -0.121 68.818 68.868 0.119 0.000 0.864 426 T HN 0.072 nan 8.240 nan 0.000 0.467 427 L N 0.568 121.673 121.223 -0.197 0.000 2.179 427 L HA 0.144 4.489 4.340 0.010 0.000 0.208 427 L C 2.459 179.243 176.870 -0.143 0.000 1.096 427 L CA 1.313 56.009 54.840 -0.240 0.000 0.779 427 L CB -0.313 41.491 42.059 -0.425 0.000 0.922 427 L HN 0.096 nan 8.230 nan 0.000 0.443 428 R N -0.889 119.543 120.500 -0.112 0.000 2.062 428 R HA -0.088 4.257 4.340 0.010 0.000 0.231 428 R C 2.268 178.531 176.300 -0.062 0.000 1.136 428 R CA 1.403 57.455 56.100 -0.080 0.000 0.948 428 R CB -0.456 29.807 30.300 -0.062 0.000 0.845 428 R HN 0.309 nan 8.270 nan 0.000 0.430 429 R N 0.162 120.636 120.500 -0.043 0.000 2.081 429 R HA -0.065 4.281 4.340 0.010 0.000 0.235 429 R C 2.464 178.750 176.300 -0.024 0.000 1.131 429 R CA 1.409 57.496 56.100 -0.022 0.000 0.960 429 R CB -0.598 29.704 30.300 0.002 0.000 0.856 429 R HN 0.358 nan 8.270 nan 0.000 0.436 430 G N 0.459 109.247 108.800 -0.019 0.000 2.408 430 G HA2 -0.227 3.739 3.960 0.010 0.000 0.217 430 G HA3 -0.227 3.739 3.960 0.010 0.000 0.217 430 G C 1.468 176.296 174.900 -0.121 0.000 1.150 430 G CA 0.609 45.696 45.100 -0.022 0.000 0.776 430 G HN 0.213 nan 8.290 nan 0.000 0.542 431 S N 0.632 116.263 115.700 -0.115 0.000 2.382 431 S HA -0.086 4.390 4.470 0.010 0.000 0.228 431 S C 1.954 176.470 174.600 -0.140 0.000 1.027 431 S CA 1.294 59.409 58.200 -0.141 0.000 0.991 431 S CB -0.169 62.962 63.200 -0.116 0.000 0.823 431 S HN 0.377 nan 8.310 nan 0.000 0.469 432 D N 1.314 121.649 120.400 -0.108 0.000 2.120 432 D HA 0.050 4.696 4.640 0.010 0.000 0.202 432 D C 1.954 178.190 176.300 -0.107 0.000 0.972 432 D CA 0.683 54.628 54.000 -0.091 0.000 0.837 432 D CB -0.296 40.468 40.800 -0.061 0.000 0.989 432 D HN 0.295 nan 8.370 nan 0.000 0.469 433 L N 1.138 122.287 121.223 -0.123 0.000 2.131 433 L HA -0.139 4.207 4.340 0.010 0.000 0.210 433 L C 2.594 179.324 176.870 -0.233 0.000 1.092 433 L CA 0.787 55.536 54.840 -0.151 0.000 0.759 433 L CB -0.383 41.590 42.059 -0.143 0.000 0.903 433 L HN 0.023 nan 8.230 nan 0.000 0.435 434 V N -2.816 116.905 119.914 -0.322 0.000 2.788 434 V HA -0.125 4.001 4.120 0.010 0.000 0.251 434 V C 2.516 178.467 176.094 -0.240 0.000 1.068 434 V CA 1.143 63.220 62.300 -0.372 0.000 1.090 434 V CB -0.636 30.751 31.823 -0.726 0.000 0.710 434 V HN 0.393 nan 8.190 nan 0.000 0.467 435 R N 0.498 120.887 120.500 -0.185 0.000 2.075 435 R HA -0.098 4.248 4.340 0.010 0.000 0.232 435 R C 2.584 178.842 176.300 -0.069 0.000 1.126 435 R CA 1.720 57.748 56.100 -0.119 0.000 0.963 435 R CB -0.178 30.062 30.300 -0.101 0.000 0.858 435 R HN 0.473 nan 8.270 nan 0.000 0.435 436 R N 0.240 120.704 120.500 -0.061 0.000 2.073 436 R HA -0.132 4.214 4.340 0.010 0.000 0.234 436 R C 2.354 178.651 176.300 -0.005 0.000 1.134 436 R CA 1.851 57.934 56.100 -0.029 0.000 0.952 436 R CB -0.319 29.966 30.300 -0.026 0.000 0.850 436 R HN 0.375 nan 8.270 nan 0.000 0.433 437 E N 0.795 120.999 120.200 0.007 0.000 2.077 437 E HA -0.192 4.164 4.350 0.010 0.000 0.193 437 E C 1.901 178.552 176.600 0.086 0.000 0.989 437 E CA 1.164 57.604 56.400 0.066 0.000 0.800 437 E CB -0.001 29.781 29.700 0.136 0.000 0.746 437 E HN 0.289 nan 8.360 nan 0.000 0.452 438 I N 0.729 121.342 120.570 0.072 0.000 2.252 438 I HA -0.239 3.936 4.170 0.010 0.000 0.245 438 I C 2.484 178.620 176.117 0.032 0.000 1.102 438 I CA 1.010 62.351 61.300 0.069 0.000 1.385 438 I CB -0.214 37.795 38.000 0.014 0.000 1.064 438 I HN 0.178 nan 8.210 nan 0.000 0.414 439 A N 0.154 122.979 122.820 0.008 0.000 1.969 439 A HA -0.224 4.101 4.320 0.010 0.000 0.218 439 A C 2.329 179.920 177.584 0.010 0.000 1.169 439 A CA 1.542 53.581 52.037 0.003 0.000 0.635 439 A CB -0.381 18.614 19.000 -0.009 0.000 0.810 439 A HN 0.310 nan 8.150 nan 0.000 0.445 440 K N -0.609 119.802 120.400 0.017 0.000 2.167 440 K HA 0.129 4.455 4.320 0.010 0.000 0.203 440 K C 1.712 178.326 176.600 0.023 0.000 1.052 440 K CA 0.614 56.912 56.287 0.018 0.000 0.956 440 K CB -0.181 32.331 32.500 0.021 0.000 0.735 440 K HN 0.461 nan 8.250 nan 0.000 0.451 441 L N 0.855 122.098 121.223 0.034 0.000 2.156 441 L HA -0.147 4.198 4.340 0.010 0.000 0.208 441 L C 2.039 178.924 176.870 0.026 0.000 1.095 441 L CA 1.220 56.080 54.840 0.034 0.000 0.770 441 L CB -0.125 41.965 42.059 0.052 0.000 0.914 441 L HN 0.145 nan 8.230 nan 0.000 0.439 442 K N -0.590 119.824 120.400 0.024 0.000 2.379 442 K HA -0.082 4.244 4.320 0.010 0.000 0.194 442 K C 1.849 178.455 176.600 0.011 0.000 1.031 442 K CA 0.577 56.874 56.287 0.016 0.000 1.037 442 K CB 0.034 32.542 32.500 0.015 0.000 0.824 442 K HN -0.131 nan 8.250 nan 0.000 0.516 443 K N 1.302 121.708 120.400 0.010 0.000 2.057 443 K HA -0.028 4.298 4.320 0.010 0.000 0.206 443 K C 1.857 178.461 176.600 0.007 0.000 1.050 443 K CA 1.520 57.811 56.287 0.007 0.000 0.935 443 K CB 0.116 32.620 32.500 0.007 0.000 0.715 443 K HN 0.247 nan 8.250 nan 0.000 0.439 444 K N -2.257 118.148 120.400 0.009 0.000 2.443 444 K HA 0.175 4.501 4.320 0.010 0.000 0.200 444 K C 1.211 177.815 176.600 0.008 0.000 1.278 444 K CA 0.477 56.768 56.287 0.008 0.000 0.925 444 K CB 0.553 33.058 32.500 0.008 0.000 1.225 444 K HN 0.194 nan 8.250 nan 0.000 0.514 445 G N 1.108 109.914 108.800 0.010 0.000 3.434 445 G HA2 0.276 4.242 3.960 0.010 0.000 0.192 445 G HA3 0.276 4.242 3.960 0.010 0.000 0.192 445 G C -0.282 174.624 174.900 0.010 0.000 1.704 445 G CA -0.443 44.662 45.100 0.010 0.000 0.936 445 G HN 0.009 nan 8.290 nan 0.000 0.623 446 I N 0.833 121.410 120.570 0.013 0.000 2.460 446 I HA 0.302 4.478 4.170 0.010 0.000 0.298 446 I C -0.554 175.573 176.117 0.018 0.000 0.989 446 I CA -0.967 60.341 61.300 0.013 0.000 1.173 446 I CB 1.756 39.763 38.000 0.012 0.000 1.338 446 I HN 0.491 nan 8.210 nan 0.000 0.456 447 K N 3.466 123.876 120.400 0.016 0.000 2.997 447 K HA 0.406 4.731 4.320 0.010 0.000 0.249 447 K C -0.071 176.541 176.600 0.020 0.000 1.284 447 K CA -0.243 56.055 56.287 0.018 0.000 1.245 447 K CB 0.462 32.969 32.500 0.012 0.000 1.670 447 K HN 0.363 nan 8.250 nan 0.000 0.385 448 E N 1.582 121.798 120.200 0.026 0.000 2.308 448 E HA 0.316 4.672 4.350 0.010 0.000 0.275 448 E C -1.089 175.535 176.600 0.040 0.000 0.890 448 E CA -0.764 55.653 56.400 0.028 0.000 0.754 448 E CB 1.575 31.287 29.700 0.020 0.000 1.207 448 E HN 0.413 nan 8.360 nan 0.000 0.426 449 I N 5.298 125.899 120.570 0.050 0.000 2.291 449 I HA 0.227 4.403 4.170 0.010 0.000 0.292 449 I C -2.058 174.088 176.117 0.048 0.000 1.064 449 I CA -1.819 59.526 61.300 0.075 0.000 1.269 449 I CB 0.907 38.977 38.000 0.117 0.000 1.418 449 I HN 0.092 nan 8.210 nan 0.000 0.485 450 P HA -0.005 nan 4.420 nan 0.000 0.271 450 P C 1.145 178.459 177.300 0.023 0.000 1.218 450 P CA -0.378 62.730 63.100 0.013 0.000 0.780 450 P CB 0.753 32.447 31.700 -0.011 0.000 0.901 451 V N -0.625 119.310 119.914 0.035 0.000 2.407 451 V HA -0.156 3.969 4.120 0.010 0.000 0.248 451 V C 1.010 177.145 176.094 0.069 0.000 1.055 451 V CA 1.523 63.863 62.300 0.066 0.000 1.049 451 V CB -1.072 30.790 31.823 0.066 0.000 0.662 451 V HN 0.372 nan 8.190 nan 0.000 0.455 455 V N 0.587 120.707 119.914 0.343 0.000 2.307 455 V HA -0.231 3.894 4.120 0.010 0.000 0.245 455 V C 2.445 178.669 176.094 0.217 0.000 1.045 455 V CA 2.697 65.159 62.300 0.271 0.000 1.024 455 V CB -0.615 31.249 31.823 0.068 0.000 0.651 455 V HN 0.432 nan 8.190 nan 0.000 0.449 456 T N -0.082 114.522 114.554 0.082 0.000 2.788 456 T HA -0.175 4.181 4.350 0.010 0.000 0.268 456 T C 1.696 176.491 174.700 0.158 0.000 1.044 456 T CA 1.636 63.756 62.100 0.033 0.000 1.139 456 T CB -0.456 68.350 68.868 -0.104 0.000 0.867 456 T HN 0.403 nan 8.240 nan 0.000 0.454 457 F N -0.104 119.988 119.950 0.237 0.000 2.126 457 F HA -0.160 4.372 4.527 0.009 0.000 0.299 457 F C 2.342 178.306 175.800 0.273 0.000 1.096 457 F CA 1.194 59.366 58.000 0.287 0.000 1.255 457 F CB -0.346 38.776 39.000 0.202 0.000 0.997 457 F HN 0.147 nan 8.300 nan 0.000 0.479 458 Y N 1.623 122.171 120.300 0.413 0.000 2.109 458 Y HA -0.243 4.312 4.550 0.009 0.000 0.285 458 Y C 2.416 178.432 175.900 0.194 0.000 1.131 458 Y CA 1.934 60.217 58.100 0.306 0.000 1.121 458 Y CB -0.593 38.066 38.460 0.332 0.000 0.987 458 Y HN 0.172 nan 8.280 nan 0.000 0.495 459 E N -1.382 118.940 120.200 0.203 0.000 2.502 459 E HA 0.016 4.372 4.350 0.010 0.000 0.194 459 E C 1.343 177.927 176.600 -0.027 0.000 1.062 459 E CA 0.909 57.377 56.400 0.113 0.000 0.867 459 E CB 0.077 29.973 29.700 0.327 0.000 0.888 459 E HN 0.335 nan 8.360 nan 0.000 0.510 460 S N 0.036 115.673 115.700 -0.104 0.000 2.641 460 S HA 0.094 4.570 4.470 0.010 0.000 0.239 460 S C 1.232 175.566 174.600 -0.443 0.000 1.081 460 S CA -0.114 57.896 58.200 -0.317 0.000 0.904 460 S CB 0.155 63.072 63.200 -0.471 0.000 0.803 460 S HN 0.422 nan 8.310 nan 0.000 0.510 461 H N 0.028 119.122 119.070 0.040 0.000 2.893 461 H HA 0.339 4.901 4.556 0.009 0.000 0.270 461 H C 1.514 176.829 175.328 -0.022 0.000 1.095 461 H CA 0.642 56.708 56.048 0.031 0.000 1.186 461 H CB 0.582 30.396 29.762 0.088 0.000 1.562 461 H HN 0.502 nan 8.280 nan 0.000 0.536 462 G N 1.967 110.726 108.800 -0.068 0.000 2.148 462 G HA2 -0.259 3.707 3.960 0.010 0.000 0.254 462 G HA3 -0.259 3.707 3.960 0.010 0.000 0.254 462 G C 0.346 175.297 174.900 0.084 0.000 0.981 462 G CA 0.550 45.539 45.100 -0.186 0.000 0.670 462 G HN 0.469 nan 8.290 nan 0.000 0.528 463 L N -0.589 120.733 121.223 0.166 0.000 2.325 463 L HA 0.919 5.265 4.340 0.010 0.000 0.278 463 L C 0.535 177.634 176.870 0.382 0.000 1.023 463 L CA -0.405 54.583 54.840 0.247 0.000 0.811 463 L CB 1.592 43.700 42.059 0.080 0.000 1.249 463 L HN 0.241 nan 8.230 nan 0.000 0.431 464 T N -0.786 113.982 114.554 0.356 0.000 2.904 464 T HA 0.355 4.710 4.350 0.010 0.000 0.290 464 T C -1.591 173.134 174.700 0.041 0.000 1.018 464 T CA -1.535 60.740 62.100 0.293 0.000 1.075 464 T CB 0.973 70.038 68.868 0.329 0.000 0.986 464 T HN 0.638 nan 8.240 nan 0.000 0.523 465 P HA -0.137 nan 4.420 nan 0.000 0.220 465 P C 0.945 178.142 177.300 -0.171 0.000 1.148 465 P CA 1.201 64.092 63.100 -0.349 0.000 0.803 465 P CB 0.087 31.288 31.700 -0.831 0.000 0.782 466 E N -0.793 119.352 120.200 -0.092 0.000 2.285 466 E HA -0.062 4.294 4.350 0.010 0.000 0.194 466 E C 1.991 178.568 176.600 -0.039 0.000 0.997 466 E CA 0.593 56.967 56.400 -0.044 0.000 0.845 466 E CB -1.046 28.656 29.700 0.004 0.000 0.782 466 E HN 0.148 nan 8.360 nan 0.000 0.491 467 I N 1.166 121.715 120.570 -0.035 0.000 2.333 467 I HA -0.034 4.142 4.170 0.010 0.000 0.246 467 I C 1.070 177.128 176.117 -0.099 0.000 1.106 467 I CA 0.386 61.655 61.300 -0.053 0.000 1.411 467 I CB -0.446 37.532 38.000 -0.037 0.000 1.082 467 I HN 0.034 nan 8.210 nan 0.000 0.420 471 I N 2.081 122.603 120.570 -0.081 0.000 2.480 471 I HA 0.053 4.229 4.170 0.010 0.000 0.251 471 I C 2.640 178.710 176.117 -0.078 0.000 1.124 471 I CA 1.298 62.545 61.300 -0.089 0.000 1.444 471 I CB -0.042 37.882 38.000 -0.128 0.000 1.098 471 I HN 0.286 nan 8.210 nan 0.000 0.428 472 A N 1.366 124.139 122.820 -0.078 0.000 1.929 472 A HA -0.183 4.143 4.320 0.010 0.000 0.216 472 A C 2.129 179.693 177.584 -0.033 0.000 1.176 472 A CA 1.411 53.416 52.037 -0.052 0.000 0.628 472 A CB -0.635 18.341 19.000 -0.040 0.000 0.816 472 A HN 0.599 nan 8.150 nan 0.000 0.444 473 E N -0.388 119.792 120.200 -0.033 0.000 2.516 473 E HA -0.104 4.252 4.350 0.010 0.000 0.199 473 E C 1.466 178.052 176.600 -0.024 0.000 1.069 473 E CA 0.961 57.346 56.400 -0.025 0.000 0.876 473 E CB -0.023 29.663 29.700 -0.024 0.000 0.843 473 E HN 0.432 nan 8.360 nan 0.000 0.530 474 K N 1.340 121.722 120.400 -0.029 0.000 1.995 474 K HA 0.023 4.349 4.320 0.010 0.000 0.207 474 K C 0.076 176.663 176.600 -0.021 0.000 1.041 474 K CA 1.172 57.443 56.287 -0.027 0.000 0.942 474 K CB 0.396 32.877 32.500 -0.033 0.000 0.731 474 K HN 0.123 nan 8.250 nan 0.000 0.439 475 E N -1.273 118.914 120.200 -0.022 0.000 2.278 475 E HA 0.430 4.786 4.350 0.010 0.000 0.272 475 E C -1.327 175.266 176.600 -0.011 0.000 0.890 475 E CA -0.319 56.072 56.400 -0.015 0.000 0.770 475 E CB 1.879 31.570 29.700 -0.015 0.000 1.212 475 E HN 0.448 nan 8.360 nan 0.000 0.415 476 G N 1.655 110.452 108.800 -0.004 0.000 2.799 476 G HA2 -0.183 3.783 3.960 0.010 0.000 0.271 476 G HA3 -0.183 3.783 3.960 0.010 0.000 0.271 476 G C -0.237 174.666 174.900 0.005 0.000 1.067 476 G CA 0.108 45.210 45.100 0.004 0.000 1.251 476 G HN 0.380 nan 8.290 nan 0.000 0.560 477 V N 2.016 121.932 119.914 0.003 0.000 3.665 477 V HA 0.909 5.035 4.120 0.010 0.000 0.279 477 V C 0.983 177.081 176.094 0.007 0.000 1.000 477 V CA 0.512 62.812 62.300 0.000 0.000 0.935 477 V CB 1.023 32.844 31.823 -0.004 0.000 1.240 477 V HN 1.198 nan 8.190 nan 0.000 0.418 478 K N -0.007 120.395 120.400 0.003 0.000 3.896 478 K HA -0.122 4.204 4.320 0.010 0.000 0.955 478 K C -0.342 176.262 176.600 0.007 0.000 1.356 478 K CA 0.571 56.862 56.287 0.006 0.000 1.298 478 K CB -1.356 31.151 32.500 0.011 0.000 2.979 478 K HN 0.567 nan 8.250 nan 0.000 0.197 479 V N 2.691 122.603 119.914 -0.003 0.000 2.261 479 V HA -0.075 4.050 4.120 0.010 0.000 0.235 479 V C 0.925 177.014 176.094 -0.010 0.000 1.044 479 V CA 2.353 64.645 62.300 -0.012 0.000 1.007 479 V CB -0.446 31.363 31.823 -0.025 0.000 0.647 479 V HN 0.996 nan 8.190 nan 0.000 0.462 480 N N 0.027 118.721 118.700 -0.010 0.000 2.667 480 N HA -0.205 4.541 4.740 0.010 0.000 0.263 480 N C -0.458 175.044 175.510 -0.013 0.000 1.038 480 N CA 0.549 53.597 53.050 -0.004 0.000 0.749 480 N CB -1.282 37.210 38.487 0.009 0.000 0.892 480 N HN 0.589 nan 8.380 nan 0.000 0.546 481 I N 1.733 122.280 120.570 -0.038 0.000 2.581 481 I HA 0.118 4.294 4.170 0.010 0.000 0.285 481 I C -1.298 174.820 176.117 0.002 0.000 1.129 481 I CA -1.324 59.934 61.300 -0.071 0.000 1.397 481 I CB 0.118 38.053 38.000 -0.107 0.000 1.399 481 I HN 0.226 nan 8.210 nan 0.000 0.537 482 P HA 0.100 nan 4.420 nan 0.000 0.275 482 P C -0.216 177.152 177.300 0.114 0.000 1.228 482 P CA -0.312 62.841 63.100 0.087 0.000 0.786 482 P CB 0.952 32.722 31.700 0.118 0.000 0.927 483 D N 0.927 121.387 120.400 0.099 0.000 2.309 483 D HA -0.122 4.524 4.640 0.010 0.000 0.212 483 D C 1.014 177.400 176.300 0.143 0.000 0.968 483 D CA 1.249 55.316 54.000 0.112 0.000 0.882 483 D CB -0.324 40.530 40.800 0.091 0.000 0.918 483 D HN 0.505 nan 8.370 nan 0.000 0.503 484 N N -0.119 118.663 118.700 0.137 0.000 2.328 484 N HA -0.047 4.698 4.740 0.010 0.000 0.247 484 N C 0.969 176.552 175.510 0.121 0.000 1.165 484 N CA -0.494 52.631 53.050 0.124 0.000 0.873 484 N CB -0.714 37.821 38.487 0.079 0.000 1.125 484 N HN 0.023 nan 8.380 nan 0.000 0.513 485 F N 1.307 121.253 119.950 -0.006 0.000 2.095 485 F HA -0.116 4.417 4.527 0.009 0.000 0.298 485 F C 1.247 176.933 175.800 -0.189 0.000 1.104 485 F CA 1.491 59.411 58.000 -0.134 0.000 1.232 485 F CB -0.166 38.677 39.000 -0.260 0.000 0.987 485 F HN -0.000 nan 8.300 nan 0.000 0.475 486 Y N -0.736 119.526 120.300 -0.065 0.000 2.314 486 Y HA -0.152 4.404 4.550 0.010 0.000 0.293 486 Y C 2.989 178.809 175.900 -0.134 0.000 1.129 486 Y CA 1.401 59.392 58.100 -0.183 0.000 1.201 486 Y CB -0.967 37.499 38.460 0.009 0.000 0.999 486 Y HN 0.166 nan 8.280 nan 0.000 0.541 487 S N 0.129 115.882 115.700 0.088 0.000 2.383 487 S HA -0.236 4.239 4.470 0.010 0.000 0.229 487 S C 1.946 176.531 174.600 -0.024 0.000 1.030 487 S CA 1.551 59.787 58.200 0.060 0.000 1.002 487 S CB -0.290 62.947 63.200 0.062 0.000 0.829 487 S HN 0.435 nan 8.310 nan 0.000 0.467 488 M N 0.213 119.747 119.600 -0.109 0.000 2.156 488 M HA -0.032 4.453 4.480 0.010 0.000 0.264 488 M C 2.200 178.386 176.300 -0.191 0.000 1.067 488 M CA 1.156 56.370 55.300 -0.144 0.000 1.131 488 M CB -0.560 31.943 32.600 -0.163 0.000 1.368 488 M HN 0.209 nan 8.290 nan 0.000 0.416 489 V N 0.713 120.420 119.914 -0.345 0.000 2.343 489 V HA -0.253 3.873 4.120 0.010 0.000 0.247 489 V C 2.674 178.758 176.094 -0.017 0.000 1.051 489 V CA 2.026 64.160 62.300 -0.277 0.000 1.036 489 V CB -1.090 30.356 31.823 -0.628 0.000 0.654 489 V HN 0.511 nan 8.190 nan 0.000 0.451 490 A N -0.430 122.373 122.820 -0.028 0.000 1.902 490 A HA -0.276 4.049 4.320 0.010 0.000 0.217 490 A C 2.295 179.837 177.584 -0.070 0.000 1.181 490 A CA 2.131 54.161 52.037 -0.011 0.000 0.623 490 A CB -0.503 18.507 19.000 0.016 0.000 0.818 490 A HN 0.512 nan 8.150 nan 0.000 0.443 491 K N -0.451 119.909 120.400 -0.068 0.000 2.360 491 K HA -0.178 4.148 4.320 0.010 0.000 0.201 491 K C 1.766 178.278 176.600 -0.146 0.000 1.046 491 K CA 1.331 57.565 56.287 -0.089 0.000 0.945 491 K CB -0.028 32.436 32.500 -0.060 0.000 0.750 491 K HN 0.431 nan 8.250 nan 0.000 0.464 492 E N 0.461 120.550 120.200 -0.184 0.000 2.204 492 E HA -0.095 4.261 4.350 0.010 0.000 0.194 492 E C 1.435 177.745 176.600 -0.484 0.000 0.989 492 E CA 1.187 57.415 56.400 -0.287 0.000 0.824 492 E CB -0.111 29.439 29.700 -0.251 0.000 0.756 492 E HN 0.363 nan 8.360 nan 0.000 0.477 493 A N 0.481 122.958 122.820 -0.570 0.000 2.070 493 A HA -0.144 4.182 4.320 0.010 0.000 0.220 493 A C 1.707 179.111 177.584 -0.300 0.000 1.159 493 A CA 1.411 53.117 52.037 -0.552 0.000 0.656 493 A CB -0.375 18.418 19.000 -0.345 0.000 0.800 493 A HN 0.322 nan 8.150 nan 0.000 0.453 494 E N -0.409 119.657 120.200 -0.225 0.000 2.489 494 E HA 0.009 4.364 4.350 0.010 0.000 0.193 494 E C 0.419 176.937 176.600 -0.137 0.000 1.057 494 E CA -0.288 56.020 56.400 -0.153 0.000 0.866 494 E CB -0.021 29.610 29.700 -0.114 0.000 0.916 494 E HN 0.672 nan 8.360 nan 0.000 0.500 495 R N 1.202 121.604 120.500 -0.163 0.000 2.421 495 R HA 0.061 4.406 4.340 0.010 0.000 0.305 495 R C -0.179 176.057 176.300 -0.106 0.000 1.039 495 R CA 0.183 56.205 56.100 -0.130 0.000 1.003 495 R CB 0.248 30.461 30.300 -0.144 0.000 0.959 495 R HN -0.294 nan 8.270 nan 0.000 0.427 505 V N 3.149 122.837 119.914 -0.376 0.000 2.288 505 V HA 0.382 4.508 4.120 0.010 0.000 0.266 505 V C 0.118 176.097 176.094 -0.191 0.000 1.048 505 V CA -0.047 62.108 62.300 -0.242 0.000 0.842 505 V CB 0.454 32.152 31.823 -0.209 0.000 1.064 505 V HN 0.616 nan 8.190 nan 0.000 0.472 506 D N 3.712 124.072 120.400 -0.065 0.000 6.122 506 D HA -0.187 4.459 4.640 0.010 0.000 0.318 506 D C -1.006 175.355 176.300 0.101 0.000 2.527 506 D CA 0.666 54.675 54.000 0.016 0.000 1.441 506 D CB -0.159 40.645 40.800 0.006 0.000 1.140 506 D HN 0.450 nan 8.370 nan 0.000 1.272 507 F N -0.153 119.754 119.950 -0.072 0.000 2.952 507 F HA 0.214 4.747 4.527 0.009 0.000 0.329 507 F C -0.054 175.723 175.800 -0.037 0.000 1.137 507 F CA 0.329 58.293 58.000 -0.061 0.000 0.889 507 F CB 0.152 39.117 39.000 -0.059 0.000 1.335 507 F HN 0.524 nan 8.300 nan 0.000 0.449 508 E N 0.731 120.964 120.200 0.056 0.000 4.250 508 E HA -0.259 4.097 4.350 0.010 0.000 0.325 508 E C 0.908 177.465 176.600 -0.073 0.000 0.640 508 E CA 1.857 58.296 56.400 0.066 0.000 1.343 508 E CB -1.237 28.598 29.700 0.225 0.000 1.759 508 E HN 0.660 nan 8.360 nan 0.000 0.401 509 L N 1.001 122.171 121.223 -0.088 0.000 2.558 509 L HA 0.026 4.372 4.340 0.010 0.000 0.225 509 L C 1.683 178.464 176.870 -0.148 0.000 1.128 509 L CA 0.636 55.425 54.840 -0.084 0.000 0.868 509 L CB 0.051 42.087 42.059 -0.038 0.000 1.006 509 L HN 0.154 nan 8.230 nan 0.000 0.454 510 L N -4.122 116.929 121.223 -0.286 0.000 3.333 510 L HA 0.290 4.635 4.340 0.010 0.000 0.299 510 L C 1.285 177.900 176.870 -0.424 0.000 1.256 510 L CA 0.097 54.755 54.840 -0.303 0.000 1.037 510 L CB -0.353 41.547 42.059 -0.265 0.000 1.423 510 L HN -0.081 nan 8.230 nan 0.000 0.605 511 K N 2.290 122.397 120.400 -0.489 0.000 2.103 511 K HA -0.102 4.224 4.320 0.010 0.000 0.204 511 K C 1.611 178.104 176.600 -0.178 0.000 1.052 511 K CA 2.068 58.114 56.287 -0.401 0.000 0.945 511 K CB 0.077 32.413 32.500 -0.272 0.000 0.722 511 K HN 0.525 nan 8.250 nan 0.000 0.443 512 D N 0.108 120.428 120.400 -0.133 0.000 2.269 512 D HA -0.120 4.526 4.640 0.010 0.000 0.208 512 D C 0.431 176.692 176.300 -0.065 0.000 0.963 512 D CA 0.370 54.326 54.000 -0.073 0.000 0.864 512 D CB -0.370 40.399 40.800 -0.052 0.000 0.936 512 D HN 0.198 nan 8.370 nan 0.000 0.505 513 L N 2.225 123.396 121.223 -0.086 0.000 2.397 513 L HA 0.255 4.600 4.340 0.010 0.000 0.271 513 L C -1.701 175.136 176.870 -0.055 0.000 1.148 513 L CA -1.696 53.106 54.840 -0.063 0.000 0.825 513 L CB 0.288 42.305 42.059 -0.069 0.000 1.117 513 L HN -0.082 nan 8.230 nan 0.000 0.456 514 P HA 0.100 nan 4.420 nan 0.000 0.274 514 P C -1.180 176.105 177.300 -0.026 0.000 1.256 514 P CA -0.639 62.447 63.100 -0.025 0.000 0.795 514 P CB 0.490 32.182 31.700 -0.013 0.000 1.038 515 D N 0.197 120.584 120.400 -0.022 0.000 2.458 515 D HA 0.061 4.707 4.640 0.010 0.000 0.243 515 D C 0.118 176.408 176.300 -0.016 0.000 1.146 515 D CA 0.648 54.636 54.000 -0.020 0.000 0.877 515 D CB -0.305 40.484 40.800 -0.019 0.000 1.176 515 D HN 0.187 nan 8.370 nan 0.000 0.461 516 T N 2.674 117.219 114.554 -0.015 0.000 2.817 516 T HA 0.031 4.387 4.350 0.010 0.000 0.295 516 T C 0.859 175.541 174.700 -0.030 0.000 0.958 516 T CA -0.321 61.776 62.100 -0.004 0.000 1.157 516 T CB 0.409 69.285 68.868 0.013 0.000 0.898 516 T HN 0.212 nan 8.240 nan 0.000 0.536 517 R N 2.953 123.435 120.500 -0.030 0.000 2.522 517 R HA 0.056 4.402 4.340 0.010 0.000 0.284 517 R C -0.110 176.109 176.300 -0.135 0.000 1.032 517 R CA 0.010 56.073 56.100 -0.062 0.000 1.049 517 R CB 0.320 30.599 30.300 -0.035 0.000 0.956 517 R HN 0.562 nan 8.270 nan 0.000 0.422 518 R N 5.680 126.037 120.500 -0.239 0.000 2.755 518 R HA 0.124 4.470 4.340 0.010 0.000 0.268 518 R C 0.868 176.832 176.300 -0.560 0.000 1.295 518 R CA -0.236 55.504 56.100 -0.601 0.000 1.379 518 R CB 0.460 30.170 30.300 -0.983 0.000 1.170 518 R HN 0.668 nan 8.270 nan 0.000 0.584 519 L N 1.381 122.398 121.223 -0.343 0.000 2.191 519 L HA -0.214 4.131 4.340 0.010 0.000 0.212 519 L C 1.793 178.604 176.870 -0.099 0.000 1.103 519 L CA 1.340 56.074 54.840 -0.176 0.000 0.769 519 L CB -0.456 41.492 42.059 -0.185 0.000 0.908 519 L HN 0.641 nan 8.230 nan 0.000 0.438 520 Y N -3.382 116.881 120.300 -0.060 0.000 2.497 520 Y HA -0.154 4.402 4.550 0.009 0.000 0.292 520 Y C 2.100 178.072 175.900 0.121 0.000 1.137 520 Y CA 0.484 58.583 58.100 -0.002 0.000 1.285 520 Y CB -0.963 37.482 38.460 -0.025 0.000 0.991 520 Y HN -0.005 nan 8.280 nan 0.000 0.556 521 Y N 1.269 121.404 120.300 -0.275 0.000 2.475 521 Y HA 0.028 4.583 4.550 0.010 0.000 0.289 521 Y C 1.930 177.883 175.900 0.089 0.000 1.121 521 Y CA 0.434 58.489 58.100 -0.075 0.000 1.257 521 Y CB -0.348 38.075 38.460 -0.060 0.000 1.026 521 Y HN 0.390 nan 8.280 nan 0.000 0.555 522 E N -0.833 119.494 120.200 0.210 0.000 2.170 522 E HA -0.050 4.306 4.350 0.010 0.000 0.191 522 E C -0.119 176.618 176.600 0.229 0.000 0.981 522 E CA 0.827 57.346 56.400 0.199 0.000 0.830 522 E CB 0.390 30.158 29.700 0.114 0.000 0.775 522 E HN 0.053 nan 8.360 nan 0.000 0.470 523 D N -1.104 119.430 120.400 0.223 0.000 2.548 523 D HA 0.057 4.703 4.640 0.010 0.000 0.214 523 D C -2.300 174.144 176.300 0.240 0.000 1.345 523 D CA -1.653 52.503 54.000 0.260 0.000 0.945 523 D CB 1.530 42.458 40.800 0.213 0.000 1.499 523 D HN -0.232 nan 8.370 nan 0.000 0.579 524 P HA 0.041 nan 4.420 nan 0.000 0.233 524 P C 0.938 178.236 177.300 -0.004 0.000 1.167 524 P CA 0.322 63.448 63.100 0.043 0.000 0.770 524 P CB 0.061 31.686 31.700 -0.125 0.000 0.837 525 F N -1.483 118.623 119.950 0.259 0.000 2.727 525 F HA 0.295 4.827 4.527 0.009 0.000 0.302 525 F C 1.787 177.564 175.800 -0.038 0.000 1.097 525 F CA -0.263 57.843 58.000 0.177 0.000 1.330 525 F CB -0.266 38.787 39.000 0.089 0.000 1.084 525 F HN -0.132 nan 8.300 nan 0.000 0.578 529 F N -1.036 118.775 119.950 -0.232 0.000 2.744 529 F HA 0.581 5.114 4.527 0.010 0.000 0.311 529 F C -1.882 173.869 175.800 -0.082 0.000 1.144 529 F CA -1.014 56.938 58.000 -0.079 0.000 0.938 529 F CB 1.184 40.175 39.000 -0.016 0.000 1.292 529 F HN 0.099 nan 8.300 nan 0.000 0.444 530 D N 1.469 121.929 120.400 0.099 0.000 2.252 530 D HA 0.787 5.433 4.640 0.010 0.000 0.245 530 D C -0.561 175.870 176.300 0.217 0.000 1.009 530 D CA -0.130 53.903 54.000 0.056 0.000 0.870 530 D CB 2.014 42.893 40.800 0.131 0.000 1.251 530 D HN 1.016 nan 8.370 nan 0.000 0.460 534 L N 2.508 123.760 121.223 0.048 0.000 2.357 534 L HA 0.488 4.834 4.340 0.010 0.000 0.211 534 L C 0.730 177.617 176.870 0.029 0.000 1.075 534 L CA 1.151 56.013 54.840 0.036 0.000 0.830 534 L CB -0.028 42.048 42.059 0.029 0.000 0.996 534 L HN 0.769 nan 8.230 nan 0.000 0.467 535 R N -1.477 119.042 120.500 0.031 0.000 2.604 535 R HA 0.554 4.900 4.340 0.010 0.000 0.261 535 R C -2.087 174.235 176.300 0.037 0.000 1.080 535 R CA -0.340 55.776 56.100 0.027 0.000 0.917 535 R CB 1.428 31.733 30.300 0.009 0.000 1.252 535 R HN -0.293 nan 8.270 nan 0.000 0.456 536 V N 5.796 125.737 119.914 0.046 0.000 2.340 536 V HA 0.479 4.604 4.120 0.010 0.000 0.277 536 V C 0.115 176.248 176.094 0.066 0.000 1.017 536 V CA -0.492 61.843 62.300 0.057 0.000 0.820 536 V CB 0.813 32.678 31.823 0.069 0.000 1.028 536 V HN 0.634 nan 8.190 nan 0.000 0.436 540 W N 1.046 122.303 121.300 -0.071 0.000 2.429 540 W HA 0.646 5.312 4.660 0.010 0.000 0.314 540 W C -0.119 176.339 176.519 -0.101 0.000 1.062 540 W CA -0.995 56.292 57.345 -0.096 0.000 1.211 540 W CB 1.967 31.375 29.460 -0.088 0.000 1.305 540 W HN -0.252 nan 8.180 nan 0.000 0.476 541 V N 5.696 125.652 119.914 0.071 0.000 2.398 541 V HA 0.403 4.528 4.120 0.010 0.000 0.286 541 V C -0.047 176.110 176.094 0.104 0.000 1.026 541 V CA -0.923 61.352 62.300 -0.042 0.000 0.868 541 V CB 1.151 32.732 31.823 -0.403 0.000 0.982 541 V HN 0.361 nan 8.190 nan 0.000 0.443 542 I N 6.142 126.757 120.570 0.075 0.000 2.339 542 I HA 0.440 4.616 4.170 0.010 0.000 0.290 542 I C -0.292 175.878 176.117 0.089 0.000 0.994 542 I CA -0.131 61.231 61.300 0.104 0.000 1.191 542 I CB 1.291 39.315 38.000 0.039 0.000 1.343 542 I HN 0.379 nan 8.210 nan 0.000 0.458 543 L N 4.715 126.026 121.223 0.147 0.000 2.332 543 L HA 0.403 4.749 4.340 0.010 0.000 0.269 543 L C 0.988 177.925 176.870 0.111 0.000 1.016 543 L CA -0.749 54.163 54.840 0.120 0.000 0.809 543 L CB 1.125 43.271 42.059 0.144 0.000 1.280 543 L HN 0.595 nan 8.230 nan 0.000 0.447 544 D N 0.063 120.522 120.400 0.097 0.000 2.224 544 D HA 0.026 4.672 4.640 0.010 0.000 0.205 544 D C 0.294 176.635 176.300 0.069 0.000 0.965 544 D CA 0.686 54.728 54.000 0.071 0.000 0.852 544 D CB 0.309 41.146 40.800 0.062 0.000 0.947 544 D HN 0.448 nan 8.370 nan 0.000 0.494 545 A N -1.282 121.600 122.820 0.102 0.000 2.549 545 A HA 0.630 4.956 4.320 0.010 0.000 0.297 545 A C -1.000 176.606 177.584 0.036 0.000 1.061 545 A CA -0.510 51.557 52.037 0.050 0.000 0.690 545 A CB 2.143 21.168 19.000 0.041 0.000 1.287 545 A HN 0.038 nan 8.150 nan 0.000 0.402 546 T N -0.232 114.242 114.554 -0.134 0.000 2.932 546 T HA 0.574 4.930 4.350 0.010 0.000 0.318 546 T C 0.297 174.717 174.700 -0.466 0.000 1.265 546 T CA 0.513 62.394 62.100 -0.365 0.000 1.036 546 T CB 1.520 70.580 68.868 0.319 0.000 1.209 546 T HN 1.751 nan 8.240 nan 0.000 0.484 547 A N 3.173 125.406 122.820 -0.978 0.000 2.308 547 A HA 0.441 4.767 4.320 0.010 0.000 0.217 547 A C 0.137 177.704 177.584 -0.028 0.000 1.216 547 A CA -0.172 51.677 52.037 -0.313 0.000 0.864 547 A CB -0.355 18.445 19.000 -0.333 0.000 0.902 547 A HN 0.651 nan 8.150 nan 0.000 0.499 548 F N 0.069 120.076 119.950 0.095 0.000 2.506 548 F HA 0.237 4.770 4.527 0.010 0.000 0.371 548 F C 0.359 176.111 175.800 -0.081 0.000 1.078 548 F CA -0.138 57.949 58.000 0.144 0.000 1.195 548 F CB 0.103 39.292 39.000 0.315 0.000 1.099 548 F HN 0.331 nan 8.300 nan 0.000 0.548 549 Y N 7.337 127.509 120.300 -0.213 0.000 2.496 549 Y HA 0.220 4.776 4.550 0.010 0.000 0.334 549 Y C -2.189 173.592 175.900 -0.199 0.000 1.080 549 Y CA -2.851 54.904 58.100 -0.574 0.000 1.355 549 Y CB 0.264 38.416 38.460 -0.514 0.000 1.193 549 Y HN 0.317 nan 8.280 nan 0.000 0.523 550 P HA 0.043 nan 4.420 nan 0.000 0.280 550 P C -0.860 176.083 177.300 -0.596 0.000 1.244 550 P CA -0.349 62.460 63.100 -0.484 0.000 0.784 550 P CB 0.963 32.426 31.700 -0.395 0.000 0.913 551 E N 1.723 121.844 120.200 -0.131 0.000 2.529 551 E HA 0.323 4.679 4.350 0.010 0.000 0.259 551 E C 0.042 176.601 176.600 -0.069 0.000 0.966 551 E CA 0.380 56.776 56.400 -0.006 0.000 0.937 551 E CB -0.167 29.622 29.700 0.148 0.000 0.923 551 E HN 0.745 nan 8.360 nan 0.000 0.468 552 G N 1.581 110.400 108.800 0.031 0.000 2.361 552 G HA2 0.385 4.351 3.960 0.010 0.000 0.299 552 G HA3 0.385 4.351 3.960 0.010 0.000 0.299 552 G C 0.252 175.245 174.900 0.154 0.000 1.544 552 G CA -0.010 45.123 45.100 0.056 0.000 0.860 552 G HN 0.965 nan 8.290 nan 0.000 0.610 553 G N -1.021 107.850 108.800 0.117 0.000 2.179 553 G HA2 0.305 4.271 3.960 0.010 0.000 0.257 553 G HA3 0.305 4.271 3.960 0.010 0.000 0.257 553 G C 1.987 176.902 174.900 0.025 0.000 1.010 553 G CA 1.440 46.619 45.100 0.132 0.000 0.736 553 G HN 2.916 nan 8.290 nan 0.000 0.513 554 G N -1.543 107.232 108.800 -0.042 0.000 2.195 554 G HA2 -0.238 3.728 3.960 0.010 0.000 0.246 554 G HA3 -0.238 3.728 3.960 0.010 0.000 0.246 554 G C 0.264 174.984 174.900 -0.300 0.000 0.984 554 G CA 1.243 46.249 45.100 -0.156 0.000 0.633 554 G HN 1.571 nan 8.290 nan 0.000 0.525 555 Q N 1.299 120.941 119.800 -0.264 0.000 2.303 555 Q HA 0.549 4.895 4.340 0.010 0.000 0.257 555 Q C -2.474 173.385 176.000 -0.234 0.000 0.941 555 Q CA -2.179 53.392 55.803 -0.386 0.000 0.931 555 Q CB 1.805 30.310 28.738 -0.389 0.000 1.215 555 Q HN 0.234 nan 8.270 nan 0.000 0.437 556 P HA -0.030 nan 4.420 nan 0.000 0.272 556 P C -1.156 176.033 177.300 -0.184 0.000 1.240 556 P CA -0.019 62.818 63.100 -0.439 0.000 0.791 556 P CB 0.181 31.486 31.700 -0.658 0.000 0.978 557 Y N -1.378 118.964 120.300 0.071 0.000 2.511 557 Y HA 0.204 4.760 4.550 0.010 0.000 0.347 557 Y C 0.516 176.544 175.900 0.214 0.000 1.257 557 Y CA -0.550 57.631 58.100 0.134 0.000 1.469 557 Y CB -0.721 37.786 38.460 0.078 0.000 1.353 557 Y HN 0.227 nan 8.280 nan 0.000 0.617 558 D N 0.747 121.420 120.400 0.454 0.000 2.339 558 D HA 0.235 4.881 4.640 0.010 0.000 0.245 558 D C 0.111 176.745 176.300 0.556 0.000 1.115 558 D CA 0.215 54.455 54.000 0.400 0.000 0.917 558 D CB 1.281 42.278 40.800 0.329 0.000 1.192 558 D HN 0.796 nan 8.370 nan 0.000 0.428 559 T N -1.947 112.862 114.554 0.425 0.000 2.910 559 T HA 0.843 5.198 4.350 0.010 0.000 0.287 559 T C 0.359 175.341 174.700 0.471 0.000 1.050 559 T CA -0.458 61.896 62.100 0.424 0.000 1.011 559 T CB 2.209 71.248 68.868 0.285 0.000 1.195 559 T HN 0.485 nan 8.240 nan 0.000 0.540 560 G N -0.487 108.581 108.800 0.448 0.000 2.455 560 G HA2 0.478 4.443 3.960 0.010 0.000 0.223 560 G HA3 0.478 4.443 3.960 0.010 0.000 0.223 560 G C -1.158 173.942 174.900 0.332 0.000 1.226 560 G CA -0.056 45.285 45.100 0.401 0.000 0.948 560 G HN 1.838 nan 8.290 nan 0.000 0.478 561 V N -1.762 118.358 119.914 0.344 0.000 2.962 561 V HA 0.905 5.031 4.120 0.010 0.000 0.313 561 V C -0.578 175.664 176.094 0.247 0.000 1.099 561 V CA -1.120 61.318 62.300 0.231 0.000 0.971 561 V CB 1.741 33.656 31.823 0.153 0.000 1.028 561 V HN 0.842 nan 8.190 nan 0.000 0.430 562 L N 3.493 124.822 121.223 0.177 0.000 2.325 562 L HA 0.596 4.941 4.340 0.010 0.000 0.281 562 L C -0.623 176.365 176.870 0.196 0.000 1.004 562 L CA -0.459 54.486 54.840 0.174 0.000 0.823 562 L CB 1.820 43.982 42.059 0.172 0.000 1.236 562 L HN 0.571 nan 8.230 nan 0.000 0.415 563 I N 4.209 124.856 120.570 0.128 0.000 2.312 563 I HA 0.298 4.473 4.170 0.010 0.000 0.291 563 I C -0.353 175.787 176.117 0.037 0.000 1.031 563 I CA -0.363 60.985 61.300 0.080 0.000 1.293 563 I CB 1.643 39.703 38.000 0.101 0.000 1.403 563 I HN 0.252 nan 8.210 nan 0.000 0.484 564 V N 7.732 127.602 119.914 -0.072 0.000 2.525 564 V HA 0.380 4.506 4.120 0.010 0.000 0.299 564 V C 0.150 176.156 176.094 -0.146 0.000 1.034 564 V CA -0.441 61.767 62.300 -0.152 0.000 0.863 564 V CB 1.322 32.880 31.823 -0.441 0.000 0.999 564 V HN 0.923 nan 8.190 nan 0.000 0.423 565 N N 4.878 123.522 118.700 -0.093 0.000 2.721 565 N HA -0.225 4.521 4.740 0.010 0.000 0.249 565 N C 1.128 176.598 175.510 -0.066 0.000 1.072 565 N CA 1.482 54.485 53.050 -0.077 0.000 0.710 565 N CB -1.105 37.328 38.487 -0.091 0.000 0.993 565 N HN 1.731 nan 8.380 nan 0.000 0.547 566 G N -0.557 108.210 108.800 -0.055 0.000 2.347 566 G HA2 -0.383 3.583 3.960 0.010 0.000 0.247 566 G HA3 -0.383 3.583 3.960 0.010 0.000 0.247 566 G C 0.215 175.089 174.900 -0.043 0.000 1.037 566 G CA 0.604 45.678 45.100 -0.045 0.000 0.622 566 G HN 0.501 nan 8.290 nan 0.000 0.521 567 R N 1.528 121.989 120.500 -0.065 0.000 2.442 567 R HA 0.374 4.720 4.340 0.010 0.000 0.291 567 R C -0.008 176.262 176.300 -0.051 0.000 1.069 567 R CA -0.121 55.939 56.100 -0.066 0.000 1.022 567 R CB 0.619 30.859 30.300 -0.100 0.000 0.976 567 R HN 0.467 nan 8.270 nan 0.000 0.443 568 E N 2.384 122.574 120.200 -0.016 0.000 2.200 568 E HA 0.244 4.599 4.350 0.010 0.000 0.283 568 E C -0.737 175.880 176.600 0.029 0.000 1.015 568 E CA -0.459 55.954 56.400 0.022 0.000 0.819 568 E CB 1.171 30.892 29.700 0.035 0.000 1.081 568 E HN 0.218 nan 8.360 nan 0.000 0.397 572 T N -0.976 113.501 114.554 -0.128 0.000 3.023 572 T HA 0.344 4.700 4.350 0.010 0.000 0.253 572 T C 0.421 174.961 174.700 -0.266 0.000 1.038 572 T CA 0.204 62.245 62.100 -0.099 0.000 0.962 572 T CB 0.219 69.019 68.868 -0.113 0.000 1.018 572 T HN 0.527 nan 8.240 nan 0.000 0.521 573 N N 0.154 118.589 118.700 -0.443 0.000 2.647 573 N HA 0.353 5.099 4.740 0.010 0.000 0.259 573 N C -2.289 172.983 175.510 -0.397 0.000 1.098 573 N CA -0.298 52.228 53.050 -0.873 0.000 0.984 573 N CB 2.356 40.467 38.487 -0.626 0.000 1.683 573 N HN 0.036 nan 8.380 nan 0.000 0.501 574 V N 3.098 122.800 119.914 -0.353 0.000 2.525 574 V HA 0.559 4.684 4.120 0.010 0.000 0.299 574 V C -0.408 175.644 176.094 -0.071 0.000 1.034 574 V CA -0.680 61.560 62.300 -0.099 0.000 0.863 574 V CB 1.657 33.474 31.823 -0.010 0.000 0.999 574 V HN 0.560 nan 8.190 nan 0.000 0.423 581 I N 5.644 126.156 120.570 -0.096 0.000 2.342 581 I HA 0.547 4.723 4.170 0.010 0.000 0.291 581 I C 0.005 175.981 176.117 -0.235 0.000 1.010 581 I CA -0.432 60.762 61.300 -0.177 0.000 1.308 581 I CB 1.269 39.177 38.000 -0.153 0.000 1.400 581 I HN 0.608 nan 8.210 nan 0.000 0.488 582 I N 2.727 123.116 120.570 -0.301 0.000 2.404 582 I HA 0.564 4.740 4.170 0.010 0.000 0.293 582 I C -0.745 175.296 176.117 -0.127 0.000 0.992 582 I CA -0.583 60.617 61.300 -0.168 0.000 1.149 582 I CB 1.310 39.161 38.000 -0.248 0.000 1.315 582 I HN 0.498 nan 8.210 nan 0.000 0.446 586 E N 0.399 120.565 120.200 -0.057 0.000 2.285 586 E HA 0.014 4.370 4.350 0.010 0.000 0.194 586 E C -0.135 176.459 176.600 -0.010 0.000 0.997 586 E CA 1.422 57.796 56.400 -0.044 0.000 0.845 586 E CB 0.342 30.029 29.700 -0.022 0.000 0.782 586 E HN 0.812 nan 8.360 nan 0.000 0.491 587 D N -0.351 120.079 120.400 0.051 0.000 2.468 587 D HA 0.085 4.731 4.640 0.010 0.000 0.272 587 D C -1.931 174.464 176.300 0.159 0.000 1.221 587 D CA -2.035 52.001 54.000 0.060 0.000 0.860 587 D CB 1.004 41.816 40.800 0.019 0.000 1.190 587 D HN -0.179 nan 8.370 nan 0.000 0.509 588 P HA -0.010 nan 4.420 nan 0.000 0.221 588 P C 1.506 178.919 177.300 0.189 0.000 1.150 588 P CA 0.567 63.783 63.100 0.193 0.000 0.800 588 P CB 0.284 32.013 31.700 0.049 0.000 0.787 589 G N 0.632 109.481 108.800 0.082 0.000 2.470 589 G HA2 -0.188 3.778 3.960 0.010 0.000 0.220 589 G HA3 -0.188 3.778 3.960 0.010 0.000 0.220 589 G C 1.733 176.630 174.900 -0.004 0.000 1.121 589 G CA 0.774 45.897 45.100 0.038 0.000 0.766 589 G HN 0.366 nan 8.290 nan 0.000 0.553 590 A N -0.197 122.584 122.820 -0.065 0.000 2.015 590 A HA 0.353 4.678 4.320 0.010 0.000 0.219 590 A C 0.888 178.255 177.584 -0.362 0.000 1.163 590 A CA 0.389 52.266 52.037 -0.268 0.000 0.646 590 A CB -0.211 18.516 19.000 -0.455 0.000 0.806 590 A HN 0.245 nan 8.150 nan 0.000 0.448 594 G N 3.057 111.887 108.800 0.050 0.000 2.217 594 G HA2 -0.310 3.656 3.960 0.010 0.000 0.246 594 G HA3 -0.310 3.656 3.960 0.010 0.000 0.246 594 G C 0.301 175.230 174.900 0.048 0.000 0.990 594 G CA 0.370 45.495 45.100 0.043 0.000 0.627 594 G HN 0.456 nan 8.290 nan 0.000 0.522 595 M N 1.246 120.882 119.600 0.061 0.000 2.228 595 M HA 0.558 5.044 4.480 0.010 0.000 0.351 595 M C 0.231 176.576 176.300 0.076 0.000 1.233 595 M CA 0.064 55.401 55.300 0.063 0.000 1.129 595 M CB 0.331 32.978 32.600 0.078 0.000 1.604 595 M HN 0.170 nan 8.290 nan 0.000 0.457 596 I N 5.753 126.360 120.570 0.061 0.000 2.321 596 I HA 0.329 4.505 4.170 0.010 0.000 0.291 596 I C -0.426 175.732 176.117 0.068 0.000 0.998 596 I CA -0.777 60.563 61.300 0.066 0.000 1.227 596 I CB 1.051 39.084 38.000 0.055 0.000 1.368 596 I HN 0.453 nan 8.210 nan 0.000 0.466 597 V N 2.421 122.382 119.914 0.078 0.000 2.919 597 V HA 0.529 4.654 4.120 0.010 0.000 0.316 597 V C -0.813 175.289 176.094 0.013 0.000 1.077 597 V CA -0.840 61.506 62.300 0.078 0.000 0.977 597 V CB 1.747 33.672 31.823 0.169 0.000 1.039 597 V HN 0.711 nan 8.190 nan 0.000 0.441 598 H N 1.409 120.420 119.070 -0.098 0.000 2.519 598 H HA 0.757 5.319 4.556 0.010 0.000 0.316 598 H C 0.339 175.507 175.328 -0.266 0.000 1.065 598 H CA 0.718 56.648 56.048 -0.196 0.000 1.264 598 H CB 1.127 30.824 29.762 -0.108 0.000 1.413 598 H HN 1.192 nan 8.280 nan 0.000 0.465 602 D N 6.074 126.537 120.400 0.105 0.000 2.357 602 D HA -0.055 4.591 4.640 0.010 0.000 0.265 602 D C -0.130 176.228 176.300 0.097 0.000 1.334 602 D CA 0.175 54.239 54.000 0.106 0.000 0.984 602 D CB 0.517 41.362 40.800 0.074 0.000 1.077 602 D HN 0.374 nan 8.370 nan 0.000 0.514 606 R N 1.548 121.710 120.500 -0.563 0.000 2.080 606 R HA -0.014 4.332 4.340 0.010 0.000 0.236 606 R C 1.914 177.792 176.300 -0.703 0.000 1.137 606 R CA 2.275 58.026 56.100 -0.581 0.000 0.943 606 R CB -0.837 29.151 30.300 -0.520 0.000 0.846 606 R HN 0.375 nan 8.270 nan 0.000 0.431 607 I N 0.824 120.806 120.570 -0.980 0.000 2.315 607 I HA -0.205 3.970 4.170 0.010 0.000 0.248 607 I C 1.935 177.819 176.117 -0.388 0.000 1.117 607 I CA 1.543 62.378 61.300 -0.774 0.000 1.404 607 I CB -0.209 37.282 38.000 -0.848 0.000 1.071 607 I HN 0.339 nan 8.210 nan 0.000 0.419 608 Q N -0.783 118.812 119.800 -0.342 0.000 2.084 608 Q HA -0.236 4.110 4.340 0.010 0.000 0.202 608 Q C 2.113 178.123 176.000 0.017 0.000 0.978 608 Q CA 2.029 57.749 55.803 -0.138 0.000 0.844 608 Q CB -0.345 28.298 28.738 -0.159 0.000 0.898 608 Q HN 0.678 nan 8.270 nan 0.000 0.426 609 H N -0.316 118.630 119.070 -0.206 0.000 2.321 609 H HA -0.094 4.468 4.556 0.009 0.000 0.300 609 H C 2.150 177.351 175.328 -0.212 0.000 1.087 609 H CA 1.101 57.008 56.048 -0.235 0.000 1.319 609 H CB 0.047 29.616 29.762 -0.323 0.000 1.379 609 H HN 0.208 nan 8.280 nan 0.000 0.501 610 M N 0.156 119.659 119.600 -0.163 0.000 2.108 610 M HA -0.190 4.296 4.480 0.010 0.000 0.261 610 M C 2.365 178.582 176.300 -0.138 0.000 1.066 610 M CA 1.544 56.704 55.300 -0.234 0.000 1.107 610 M CB -0.137 32.265 32.600 -0.329 0.000 1.356 610 M HN 0.191 nan 8.290 nan 0.000 0.406 611 R N -0.746 119.684 120.500 -0.116 0.000 2.083 611 R HA -0.175 4.170 4.340 0.010 0.000 0.237 611 R C 1.936 178.156 176.300 -0.135 0.000 1.137 611 R CA 1.816 57.840 56.100 -0.127 0.000 0.951 611 R CB -0.639 29.544 30.300 -0.196 0.000 0.851 611 R HN 0.496 nan 8.270 nan 0.000 0.434 612 H N -1.873 117.180 119.070 -0.029 0.000 2.462 612 H HA -0.055 4.506 4.556 0.010 0.000 0.292 612 H C 1.822 177.183 175.328 0.054 0.000 1.049 612 H CA 1.450 57.497 56.048 -0.001 0.000 1.334 612 H CB -0.084 29.581 29.762 -0.161 0.000 1.404 612 H HN 0.383 nan 8.280 nan 0.000 0.544 613 H N -0.584 118.456 119.070 -0.050 0.000 2.307 613 H HA -0.098 4.464 4.556 0.009 0.000 0.303 613 H C 1.760 177.023 175.328 -0.109 0.000 1.073 613 H CA 1.554 57.495 56.048 -0.179 0.000 1.338 613 H CB 0.385 29.829 29.762 -0.530 0.000 1.389 613 H HN 0.219 nan 8.280 nan 0.000 0.503 614 T N -0.769 113.819 114.554 0.057 0.000 2.788 614 T HA -0.123 4.233 4.350 0.010 0.000 0.268 614 T C 2.082 176.888 174.700 0.175 0.000 1.044 614 T CA 0.938 63.128 62.100 0.150 0.000 1.139 614 T CB -0.671 68.279 68.868 0.136 0.000 0.867 614 T HN 0.578 nan 8.240 nan 0.000 0.454 615 G N 1.212 110.112 108.800 0.167 0.000 2.422 615 G HA2 -0.226 3.740 3.960 0.010 0.000 0.218 615 G HA3 -0.226 3.740 3.960 0.010 0.000 0.218 615 G C 1.701 176.745 174.900 0.240 0.000 1.146 615 G CA 1.421 46.637 45.100 0.193 0.000 0.769 615 G HN 0.438 nan 8.290 nan 0.000 0.547 616 T N 0.193 114.985 114.554 0.397 0.000 2.720 616 T HA -0.133 4.222 4.350 0.010 0.000 0.268 616 T C 1.990 176.864 174.700 0.290 0.000 1.037 616 T CA 1.415 63.751 62.100 0.393 0.000 1.144 616 T CB -0.419 68.742 68.868 0.489 0.000 0.864 616 T HN 0.528 nan 8.240 nan 0.000 0.444 617 H N -0.137 119.028 119.070 0.159 0.000 2.357 617 H HA -0.004 4.557 4.556 0.010 0.000 0.301 617 H C 2.478 177.891 175.328 0.142 0.000 1.082 617 H CA 1.059 57.170 56.048 0.106 0.000 1.342 617 H CB -0.152 29.669 29.762 0.099 0.000 1.389 617 H HN 0.155 nan 8.280 nan 0.000 0.511 618 V N 1.289 121.382 119.914 0.299 0.000 2.287 618 V HA -0.263 3.862 4.120 0.010 0.000 0.248 618 V C 2.573 178.854 176.094 0.312 0.000 1.053 618 V CA 1.621 64.105 62.300 0.306 0.000 1.027 618 V CB -0.578 31.302 31.823 0.095 0.000 0.646 618 V HN 0.215 nan 8.190 nan 0.000 0.447 619 L N -0.767 120.492 121.223 0.061 0.000 2.046 619 L HA -0.172 4.174 4.340 0.010 0.000 0.208 619 L C 2.309 179.139 176.870 -0.068 0.000 1.077 619 L CA 2.288 57.072 54.840 -0.093 0.000 0.747 619 L CB -0.600 41.196 42.059 -0.438 0.000 0.896 619 L HN 0.341 nan 8.230 nan 0.000 0.432 620 M N -0.351 119.206 119.600 -0.071 0.000 2.080 620 M HA -0.105 4.380 4.480 0.010 0.000 0.260 620 M C 2.102 178.258 176.300 -0.241 0.000 1.068 620 M CA 2.147 57.352 55.300 -0.158 0.000 1.109 620 M CB -1.280 31.199 32.600 -0.203 0.000 1.342 620 M HN 0.254 nan 8.290 nan 0.000 0.405 621 G N -1.023 107.605 108.800 -0.287 0.000 2.442 621 G HA2 -0.120 3.845 3.960 0.010 0.000 0.219 621 G HA3 -0.120 3.845 3.960 0.010 0.000 0.219 621 G C 1.533 176.016 174.900 -0.696 0.000 1.141 621 G CA 1.088 45.698 45.100 -0.816 0.000 0.763 621 G HN 0.694 nan 8.290 nan 0.000 0.554 622 A N 0.440 123.198 122.820 -0.103 0.000 1.898 622 A HA 0.168 4.494 4.320 0.010 0.000 0.216 622 A C 2.430 179.962 177.584 -0.088 0.000 1.181 622 A CA 1.122 53.199 52.037 0.066 0.000 0.620 622 A CB -0.362 18.767 19.000 0.216 0.000 0.819 622 A HN 0.344 nan 8.150 nan 0.000 0.442 623 L N -0.526 120.616 121.223 -0.134 0.000 2.017 623 L HA -0.169 4.176 4.340 0.010 0.000 0.208 623 L C 2.554 179.300 176.870 -0.205 0.000 1.073 623 L CA 1.148 55.888 54.840 -0.168 0.000 0.745 623 L CB -0.575 41.377 42.059 -0.177 0.000 0.894 623 L HN 0.244 nan 8.230 nan 0.000 0.432 624 V N -0.219 119.550 119.914 -0.241 0.000 2.287 624 V HA -0.306 3.819 4.120 0.010 0.000 0.248 624 V C 2.608 178.593 176.094 -0.182 0.000 1.053 624 V CA 1.848 64.008 62.300 -0.232 0.000 1.027 624 V CB -0.618 31.042 31.823 -0.271 0.000 0.646 624 V HN 0.395 nan 8.190 nan 0.000 0.447 625 R N -0.636 119.736 120.500 -0.215 0.000 2.096 625 R HA -0.099 4.247 4.340 0.010 0.000 0.235 625 R C 2.159 178.421 176.300 -0.062 0.000 1.127 625 R CA 1.369 57.382 56.100 -0.146 0.000 0.968 625 R CB -0.353 29.833 30.300 -0.190 0.000 0.861 625 R HN 0.421 nan 8.270 nan 0.000 0.440 626 V N 0.563 120.440 119.914 -0.062 0.000 2.446 626 V HA -0.107 4.018 4.120 0.010 0.000 0.244 626 V C 1.973 178.059 176.094 -0.013 0.000 1.039 626 V CA 1.400 63.686 62.300 -0.024 0.000 1.045 626 V CB -0.148 31.662 31.823 -0.023 0.000 0.681 626 V HN 0.250 nan 8.190 nan 0.000 0.459 627 L N -0.711 120.475 121.223 -0.061 0.000 2.357 627 L HA 0.551 4.897 4.340 0.010 0.000 0.211 627 L C 1.034 178.002 176.870 0.163 0.000 1.075 627 L CA 0.859 55.683 54.840 -0.028 0.000 0.830 627 L CB -0.060 41.806 42.059 -0.320 0.000 0.996 627 L HN 0.508 nan 8.230 nan 0.000 0.467 628 G N -0.126 108.705 108.800 0.052 0.000 2.340 628 G HA2 -0.072 3.893 3.960 0.010 0.000 0.527 628 G HA3 -0.072 3.893 3.960 0.010 0.000 0.527 628 G C -0.382 174.525 174.900 0.012 0.000 1.381 628 G CA -0.785 44.417 45.100 0.170 0.000 1.001 628 G HN -0.016 nan 8.290 nan 0.000 0.626 629 R N -0.158 120.430 120.500 0.145 0.000 2.313 629 R HA 0.067 4.413 4.340 0.010 0.000 0.199 629 R C 2.069 178.483 176.300 0.190 0.000 0.958 629 R CA 0.857 57.023 56.100 0.111 0.000 1.047 629 R CB -0.167 30.212 30.300 0.132 0.000 0.955 629 R HN 0.747 nan 8.270 nan 0.000 0.481 630 H N -0.868 118.322 119.070 0.199 0.000 2.495 630 H HA 0.039 4.600 4.556 0.009 0.000 0.287 630 H C 0.403 175.903 175.328 0.286 0.000 1.033 630 H CA 0.257 56.443 56.048 0.230 0.000 1.307 630 H CB -0.497 29.396 29.762 0.218 0.000 1.401 630 H HN -0.137 nan 8.280 nan 0.000 0.555 631 V N 2.390 122.044 119.914 -0.435 0.000 2.493 631 V HA -0.075 4.051 4.120 0.010 0.000 0.292 631 V C -0.134 176.024 176.094 0.105 0.000 1.016 631 V CA 0.588 62.751 62.300 -0.229 0.000 1.097 631 V CB 0.081 31.693 31.823 -0.352 0.000 0.947 631 V HN 0.454 nan 8.190 nan 0.000 0.479 632 W N 4.572 125.838 121.300 -0.057 0.000 3.217 632 W HA 0.310 4.976 4.660 0.008 0.000 0.323 632 W C -0.422 176.099 176.519 0.004 0.000 1.216 632 W CA -0.905 56.432 57.345 -0.012 0.000 1.194 632 W CB 2.027 31.507 29.460 0.033 0.000 1.397 632 W HN 0.521 nan 8.180 nan 0.000 0.537 633 Q N 2.223 122.038 119.800 0.025 0.000 2.289 633 Q HA 0.327 4.673 4.340 0.010 0.000 0.273 633 Q C 0.311 176.439 176.000 0.213 0.000 1.029 633 Q CA 0.906 56.756 55.803 0.077 0.000 0.896 633 Q CB 1.448 30.172 28.738 -0.023 0.000 1.182 633 Q HN 0.505 nan 8.270 nan 0.000 0.385 634 A N 3.413 126.328 122.820 0.158 0.000 2.229 634 A HA 0.474 4.800 4.320 0.010 0.000 0.211 634 A C 0.499 178.148 177.584 0.109 0.000 1.193 634 A CA 0.725 52.849 52.037 0.144 0.000 0.879 634 A CB 0.584 19.660 19.000 0.127 0.000 0.911 634 A HN 0.811 nan 8.150 nan 0.000 0.492 635 G N -1.800 107.058 108.800 0.097 0.000 2.489 635 G HA2 0.478 4.444 3.960 0.010 0.000 0.291 635 G HA3 0.478 4.444 3.960 0.010 0.000 0.291 635 G C -1.354 173.590 174.900 0.075 0.000 1.487 635 G CA 0.420 45.567 45.100 0.079 0.000 0.795 635 G HN 0.720 nan 8.290 nan 0.000 0.513 636 S N -0.792 114.940 115.700 0.053 0.000 2.543 636 S HA 0.693 5.169 4.470 0.010 0.000 0.271 636 S C -1.574 173.012 174.600 -0.023 0.000 1.148 636 S CA -0.446 57.776 58.200 0.037 0.000 0.914 636 S CB 2.064 65.284 63.200 0.032 0.000 1.096 636 S HN 1.034 nan 8.310 nan 0.000 0.471 637 Q N 3.330 123.096 119.800 -0.056 0.000 2.268 637 Q HA 0.660 5.005 4.340 0.010 0.000 0.266 637 Q C -2.252 173.558 176.000 -0.316 0.000 1.006 637 Q CA -0.508 55.195 55.803 -0.166 0.000 0.824 637 Q CB 1.239 29.918 28.738 -0.099 0.000 1.306 637 Q HN 0.562 nan 8.270 nan 0.000 0.424 638 L N 2.354 123.300 121.223 -0.462 0.000 2.334 638 L HA 0.823 5.169 4.340 0.010 0.000 0.273 638 L C 0.464 176.861 176.870 -0.788 0.000 1.013 638 L CA -0.209 54.264 54.840 -0.612 0.000 0.816 638 L CB 1.737 43.461 42.059 -0.558 0.000 1.278 638 L HN 0.944 nan 8.230 nan 0.000 0.431 639 T N -3.588 110.386 114.554 -0.968 0.000 2.693 639 T HA 0.387 4.743 4.350 0.010 0.000 0.278 639 T C 1.038 175.388 174.700 -0.583 0.000 0.994 639 T CA 0.234 61.858 62.100 -0.794 0.000 1.033 639 T CB 1.015 69.258 68.868 -1.041 0.000 1.342 639 T HN 0.633 nan 8.240 nan 0.000 0.538 640 T N -1.614 112.724 114.554 -0.360 0.000 2.867 640 T HA -0.003 4.352 4.350 0.010 0.000 0.268 640 T C 0.870 175.393 174.700 -0.294 0.000 1.057 640 T CA 1.377 63.306 62.100 -0.285 0.000 1.136 640 T CB -0.516 68.206 68.868 -0.243 0.000 0.874 640 T HN 0.567 nan 8.240 nan 0.000 0.466 641 D N -0.105 120.079 120.400 -0.361 0.000 2.388 641 D HA 0.200 4.846 4.640 0.010 0.000 0.208 641 D C 0.548 176.826 176.300 -0.037 0.000 1.035 641 D CA 0.196 54.138 54.000 -0.096 0.000 0.875 641 D CB 0.378 41.227 40.800 0.082 0.000 0.984 641 D HN 0.718 nan 8.370 nan 0.000 0.508 642 W N -0.220 120.777 121.300 -0.505 0.000 2.989 642 W HA 0.717 5.383 4.660 0.009 0.000 0.344 642 W C -1.864 174.257 176.519 -0.664 0.000 1.233 642 W CA -1.362 55.708 57.345 -0.458 0.000 1.187 642 W CB 0.647 29.962 29.460 -0.242 0.000 1.443 642 W HN -0.215 nan 8.180 nan 0.000 0.573 643 A N 1.966 124.568 122.820 -0.364 0.000 2.515 643 A HA 0.920 5.245 4.320 0.010 0.000 0.296 643 A C -1.081 176.376 177.584 -0.213 0.000 1.094 643 A CA -1.232 50.491 52.037 -0.522 0.000 0.718 643 A CB 2.073 20.618 19.000 -0.759 0.000 1.307 643 A HN 0.697 nan 8.150 nan 0.000 0.408 644 R N 0.336 120.870 120.500 0.057 0.000 2.670 644 R HA 0.820 5.166 4.340 0.010 0.000 0.289 644 R C -1.836 174.623 176.300 0.266 0.000 0.965 644 R CA -0.693 55.543 56.100 0.226 0.000 0.899 644 R CB 1.520 31.982 30.300 0.271 0.000 1.173 644 R HN 0.522 nan 8.270 nan 0.000 0.456 645 L N 2.396 123.831 121.223 0.355 0.000 2.343 645 L HA 0.459 4.805 4.340 0.010 0.000 0.278 645 L C -1.579 175.387 176.870 0.160 0.000 0.996 645 L CA -0.478 54.512 54.840 0.250 0.000 0.831 645 L CB 1.733 43.946 42.059 0.257 0.000 1.232 645 L HN 0.678 nan 8.230 nan 0.000 0.413 646 D N 5.790 126.263 120.400 0.121 0.000 2.198 646 D HA 0.585 5.231 4.640 0.010 0.000 0.245 646 D C -0.259 176.099 176.300 0.096 0.000 1.079 646 D CA 0.294 54.356 54.000 0.103 0.000 0.854 646 D CB 1.686 42.544 40.800 0.096 0.000 1.148 646 D HN 0.581 nan 8.370 nan 0.000 0.456 647 I N -2.001 118.628 120.570 0.099 0.000 2.730 647 I HA 0.477 4.653 4.170 0.010 0.000 0.298 647 I C -0.029 176.183 176.117 0.160 0.000 1.089 647 I CA -1.152 60.212 61.300 0.107 0.000 1.041 647 I CB 2.132 40.157 38.000 0.043 0.000 1.235 647 I HN 0.163 nan 8.210 nan 0.000 0.423 648 S N 3.101 118.921 115.700 0.201 0.000 2.498 648 S HA 0.409 4.885 4.470 0.010 0.000 0.281 648 S C -0.472 174.341 174.600 0.356 0.000 1.265 648 S CA 0.138 58.485 58.200 0.245 0.000 1.071 648 S CB -0.221 63.125 63.200 0.244 0.000 0.894 648 S HN 0.909 nan 8.310 nan 0.000 0.491 649 H N 1.828 121.027 119.070 0.215 0.000 3.079 649 H HA 0.454 5.016 4.556 0.009 0.000 0.356 649 H C -1.141 174.289 175.328 0.171 0.000 1.221 649 H CA -1.151 55.048 56.048 0.251 0.000 1.185 649 H CB 0.769 30.590 29.762 0.099 0.000 1.882 649 H HN 0.722 nan 8.280 nan 0.000 0.543 653 I N 2.401 123.013 120.570 0.069 0.000 2.379 653 I HA 0.059 4.235 4.170 0.010 0.000 0.290 653 I C 1.364 177.503 176.117 0.037 0.000 1.063 653 I CA 0.033 61.375 61.300 0.070 0.000 1.351 653 I CB 0.847 38.883 38.000 0.059 0.000 1.410 653 I HN 0.588 nan 8.210 nan 0.000 0.505 654 S N 5.149 120.868 115.700 0.031 0.000 2.589 654 S HA 0.107 4.583 4.470 0.010 0.000 0.265 654 S C 1.081 175.694 174.600 0.021 0.000 1.342 654 S CA -0.527 57.687 58.200 0.023 0.000 1.005 654 S CB 1.240 64.454 63.200 0.023 0.000 0.909 654 S HN 0.568 nan 8.310 nan 0.000 0.555 655 E N 1.328 121.539 120.200 0.018 0.000 2.110 655 E HA -0.145 4.211 4.350 0.010 0.000 0.193 655 E C 1.939 178.550 176.600 0.018 0.000 0.988 655 E CA 1.463 57.873 56.400 0.017 0.000 0.804 655 E CB -0.380 29.329 29.700 0.015 0.000 0.745 655 E HN 0.831 nan 8.360 nan 0.000 0.458 656 E N 0.678 120.889 120.200 0.018 0.000 2.051 656 E HA -0.185 4.171 4.350 0.010 0.000 0.192 656 E C 2.071 178.683 176.600 0.019 0.000 0.991 656 E CA 0.928 57.339 56.400 0.019 0.000 0.799 656 E CB -0.039 29.673 29.700 0.020 0.000 0.748 656 E HN 0.329 nan 8.360 nan 0.000 0.449 657 E N 0.473 120.685 120.200 0.020 0.000 2.085 657 E HA -0.168 4.188 4.350 0.010 0.000 0.194 657 E C 0.822 177.428 176.600 0.009 0.000 0.994 657 E CA 0.206 56.616 56.400 0.016 0.000 0.801 657 E CB -0.019 29.692 29.700 0.019 0.000 0.743 657 E HN 0.017 nan 8.360 nan 0.000 0.453 661 I N 2.283 122.861 120.570 0.013 0.000 2.226 661 I HA -0.244 3.931 4.170 0.010 0.000 0.245 661 I C 2.575 178.699 176.117 0.012 0.000 1.100 661 I CA 1.698 63.003 61.300 0.008 0.000 1.374 661 I CB -0.056 37.931 38.000 -0.023 0.000 1.057 661 I HN 0.187 nan 8.210 nan 0.000 0.413 662 E N 0.905 121.107 120.200 0.005 0.000 2.072 662 E HA -0.232 4.124 4.350 0.010 0.000 0.191 662 E C 2.397 179.000 176.600 0.006 0.000 0.985 662 E CA 1.229 57.631 56.400 0.003 0.000 0.801 662 E CB -0.007 29.701 29.700 0.013 0.000 0.750 662 E HN 0.388 nan 8.360 nan 0.000 0.452 663 M N 0.092 119.699 119.600 0.012 0.000 2.117 663 M HA -0.175 4.311 4.480 0.010 0.000 0.262 663 M C 2.390 178.693 176.300 0.005 0.000 1.065 663 M CA 0.928 56.233 55.300 0.008 0.000 1.114 663 M CB -0.221 32.387 32.600 0.013 0.000 1.361 663 M HN 0.227 nan 8.290 nan 0.000 0.408 664 L N 0.580 121.823 121.223 0.034 0.000 2.056 664 L HA -0.040 4.306 4.340 0.010 0.000 0.207 664 L C 2.601 179.481 176.870 0.016 0.000 1.078 664 L CA 2.049 56.930 54.840 0.068 0.000 0.749 664 L CB -1.004 41.160 42.059 0.176 0.000 0.901 664 L HN 0.198 nan 8.230 nan 0.000 0.433 665 A N -0.479 122.363 122.820 0.037 0.000 1.883 665 A HA -0.238 4.088 4.320 0.010 0.000 0.217 665 A C 2.115 179.643 177.584 -0.093 0.000 1.186 665 A CA 2.004 54.034 52.037 -0.013 0.000 0.624 665 A CB -0.789 18.205 19.000 -0.010 0.000 0.822 665 A HN 0.624 nan 8.150 nan 0.000 0.444 666 N N -0.843 117.820 118.700 -0.061 0.000 2.309 666 N HA -0.130 4.616 4.740 0.010 0.000 0.182 666 N C 1.905 177.359 175.510 -0.092 0.000 1.018 666 N CA 1.042 54.054 53.050 -0.063 0.000 0.876 666 N CB -0.313 38.156 38.487 -0.031 0.000 0.972 666 N HN 0.592 nan 8.380 nan 0.000 0.434 667 R N 0.836 121.271 120.500 -0.108 0.000 2.081 667 R HA -0.067 4.278 4.340 0.010 0.000 0.235 667 R C 1.755 177.928 176.300 -0.212 0.000 1.131 667 R CA 1.043 57.065 56.100 -0.130 0.000 0.960 667 R CB -0.077 30.158 30.300 -0.109 0.000 0.856 667 R HN 0.004 nan 8.270 nan 0.000 0.436 668 I N 0.316 120.681 120.570 -0.342 0.000 2.315 668 I HA -0.194 3.982 4.170 0.010 0.000 0.248 668 I C 2.248 178.191 176.117 -0.291 0.000 1.117 668 I CA 0.785 61.795 61.300 -0.483 0.000 1.404 668 I CB -0.345 37.058 38.000 -0.996 0.000 1.071 668 I HN -0.039 nan 8.210 nan 0.000 0.419 669 V N 0.138 119.932 119.914 -0.200 0.000 2.287 669 V HA -0.355 3.771 4.120 0.010 0.000 0.248 669 V C 2.515 178.552 176.094 -0.096 0.000 1.053 669 V CA 2.232 64.462 62.300 -0.117 0.000 1.027 669 V CB -0.624 31.155 31.823 -0.074 0.000 0.646 669 V HN 0.470 nan 8.190 nan 0.000 0.447 670 M N -0.256 119.286 119.600 -0.096 0.000 2.159 670 M HA -0.216 4.269 4.480 0.010 0.000 0.263 670 M C 2.121 178.375 176.300 -0.077 0.000 1.063 670 M CA 1.884 57.140 55.300 -0.073 0.000 1.110 670 M CB -0.256 32.305 32.600 -0.065 0.000 1.374 670 M HN 0.412 nan 8.290 nan 0.000 0.411 671 E N 0.037 120.172 120.200 -0.109 0.000 2.338 671 E HA -0.184 4.172 4.350 0.010 0.000 0.197 671 E C 0.061 176.610 176.600 -0.086 0.000 1.007 671 E CA 0.567 56.906 56.400 -0.102 0.000 0.849 671 E CB -0.141 29.476 29.700 -0.138 0.000 0.774 671 E HN 0.472 nan 8.360 nan 0.000 0.506 672 D N 0.933 121.282 120.400 -0.086 0.000 2.697 672 D HA -0.187 4.458 4.640 0.010 0.000 0.238 672 D C -0.492 175.774 176.300 -0.058 0.000 1.152 672 D CA 0.525 54.490 54.000 -0.058 0.000 0.666 672 D CB -0.661 40.117 40.800 -0.037 0.000 1.037 672 D HN 0.133 nan 8.370 nan 0.000 0.423 676 T N 0.321 114.777 114.554 -0.163 0.000 2.916 676 T HA 0.948 5.303 4.350 0.010 0.000 0.292 676 T C -1.118 173.485 174.700 -0.162 0.000 1.064 676 T CA -0.787 61.058 62.100 -0.425 0.000 1.011 676 T CB 2.561 71.229 68.868 -0.334 0.000 1.152 676 T HN 1.151 nan 8.240 nan 0.000 0.510 677 W N 0.409 121.628 121.300 -0.135 0.000 3.127 677 W HA 0.806 5.471 4.660 0.009 0.000 0.330 677 W C -0.881 175.534 176.519 -0.174 0.000 1.187 677 W CA -0.988 56.231 57.345 -0.209 0.000 1.198 677 W CB 1.037 30.339 29.460 -0.264 0.000 1.408 677 W HN 1.138 nan 8.180 nan 0.000 0.529 678 E N 0.351 120.532 120.200 -0.031 0.000 2.423 678 E HA 0.479 4.835 4.350 0.010 0.000 0.280 678 E C -1.954 174.562 176.600 -0.141 0.000 1.030 678 E CA -1.112 55.271 56.400 -0.028 0.000 0.812 678 E CB 1.407 31.117 29.700 0.016 0.000 1.313 678 E HN 0.486 nan 8.360 nan 0.000 0.456 679 W N 1.444 122.752 121.300 0.015 0.000 2.365 679 W HA 0.587 5.253 4.660 0.010 0.000 0.316 679 W C -0.458 176.066 176.519 0.008 0.000 1.164 679 W CA -0.391 56.954 57.345 -0.001 0.000 1.204 679 W CB 1.063 30.517 29.460 -0.009 0.000 1.213 679 W HN 0.288 nan 8.180 nan 0.000 0.539 680 L N 4.658 126.011 121.223 0.217 0.000 2.422 680 L HA 0.451 4.796 4.340 0.010 0.000 0.264 680 L C -2.285 174.660 176.870 0.125 0.000 0.984 680 L CA -2.501 52.420 54.840 0.135 0.000 0.819 680 L CB 2.410 44.523 42.059 0.090 0.000 1.330 680 L HN 0.047 nan 8.230 nan 0.000 0.410 681 P HA 0.008 nan 4.420 nan 0.000 0.264 681 P C 0.106 177.440 177.300 0.056 0.000 1.183 681 P CA -0.103 63.035 63.100 0.064 0.000 0.763 681 P CB 0.444 32.165 31.700 0.036 0.000 0.807 682 R N 1.698 122.232 120.500 0.057 0.000 2.081 682 R HA -0.116 4.230 4.340 0.010 0.000 0.235 682 R C 1.251 177.593 176.300 0.070 0.000 1.131 682 R CA 1.793 57.931 56.100 0.063 0.000 0.960 682 R CB -1.882 28.438 30.300 0.033 0.000 0.856 682 R HN 0.274 nan 8.270 nan 0.000 0.436 683 T N 0.860 115.453 114.554 0.065 0.000 2.821 683 T HA -0.069 4.286 4.350 0.010 0.000 0.267 683 T C 1.754 176.455 174.700 0.001 0.000 1.046 683 T CA 1.820 63.953 62.100 0.056 0.000 1.139 683 T CB -0.290 68.619 68.868 0.068 0.000 0.871 683 T HN 0.419 nan 8.240 nan 0.000 0.454 684 T N 2.089 116.642 114.554 -0.002 0.000 2.746 684 T HA -0.058 4.298 4.350 0.010 0.000 0.267 684 T C 2.404 177.066 174.700 -0.063 0.000 1.039 684 T CA 1.200 63.280 62.100 -0.033 0.000 1.142 684 T CB -0.529 68.330 68.868 -0.015 0.000 0.866 684 T HN 0.436 nan 8.240 nan 0.000 0.444 685 A N 1.690 124.498 122.820 -0.020 0.000 1.877 685 A HA -0.145 4.181 4.320 0.010 0.000 0.216 685 A C 2.209 179.759 177.584 -0.057 0.000 1.186 685 A CA 1.707 53.751 52.037 0.011 0.000 0.620 685 A CB -0.619 18.407 19.000 0.044 0.000 0.822 685 A HN 0.578 nan 8.150 nan 0.000 0.443 686 E N -0.215 119.922 120.200 -0.106 0.000 2.085 686 E HA -0.146 4.210 4.350 0.010 0.000 0.194 686 E C 0.869 177.267 176.600 -0.337 0.000 0.994 686 E CA 0.739 56.980 56.400 -0.266 0.000 0.801 686 E CB -0.076 29.479 29.700 -0.242 0.000 0.743 686 E HN 0.581 nan 8.360 nan 0.000 0.453 690 G N 0.577 109.293 108.800 -0.140 0.000 2.757 690 G HA2 -0.232 3.733 3.960 0.010 0.000 0.638 690 G HA3 -0.232 3.733 3.960 0.010 0.000 0.638 690 G C -0.100 174.675 174.900 -0.208 0.000 1.344 690 G CA -0.277 44.684 45.100 -0.232 0.000 0.855 690 G HN 0.005 nan 8.290 nan 0.000 0.537 691 F N 0.624 120.673 119.950 0.165 0.000 2.802 691 F HA 0.159 4.691 4.527 0.009 0.000 0.300 691 F C 2.763 178.815 175.800 0.419 0.000 1.168 691 F CA 0.835 59.030 58.000 0.325 0.000 1.433 691 F CB -0.038 39.242 39.000 0.467 0.000 1.115 691 F HN 0.369 nan 8.300 nan 0.000 0.582 692 R N 0.154 120.850 120.500 0.326 0.000 2.249 692 R HA -0.141 4.204 4.340 0.010 0.000 0.230 692 R C 2.010 178.146 176.300 -0.273 0.000 1.121 692 R CA 0.761 56.776 56.100 -0.141 0.000 0.997 692 R CB -0.630 29.539 30.300 -0.220 0.000 0.867 692 R HN 0.392 nan 8.270 nan 0.000 0.465 693 L N -0.441 120.646 121.223 -0.226 0.000 2.081 693 L HA -0.213 4.133 4.340 0.010 0.000 0.212 693 L C 0.767 177.458 176.870 -0.299 0.000 1.080 693 L CA 1.405 56.012 54.840 -0.389 0.000 0.754 693 L CB -0.316 41.364 42.059 -0.631 0.000 0.893 693 L HN 0.203 nan 8.230 nan 0.000 0.433 694 Y N -0.233 120.163 120.300 0.161 0.000 2.826 694 Y HA 0.071 4.627 4.550 0.010 0.000 0.371 694 Y C 1.533 177.570 175.900 0.227 0.000 1.252 694 Y CA -0.813 57.427 58.100 0.234 0.000 1.813 694 Y CB 0.020 38.705 38.460 0.375 0.000 1.913 694 Y HN 0.115 nan 8.280 nan 0.000 0.447 695 Q N 0.884 120.708 119.800 0.040 0.000 1.994 695 Q HA -0.049 4.297 4.340 0.010 0.000 0.198 695 Q C 2.154 178.214 176.000 0.100 0.000 0.976 695 Q CA 1.275 56.997 55.803 -0.135 0.000 0.828 695 Q CB -0.587 27.963 28.738 -0.314 0.000 0.894 695 Q HN 0.772 nan 8.270 nan 0.000 0.432 696 G N 0.132 109.000 108.800 0.112 0.000 3.155 696 G HA2 0.340 4.306 3.960 0.010 0.000 0.213 696 G HA3 0.340 4.306 3.960 0.010 0.000 0.213 696 G C 0.509 175.515 174.900 0.177 0.000 1.196 696 G CA 0.603 45.786 45.100 0.139 0.000 0.846 696 G HN 0.546 nan 8.290 nan 0.000 0.516 697 G N -1.428 107.516 108.800 0.240 0.000 2.548 697 G HA2 -0.034 3.932 3.960 0.010 0.000 0.208 697 G HA3 -0.034 3.932 3.960 0.010 0.000 0.208 697 G C -0.574 174.466 174.900 0.233 0.000 1.308 697 G CA -0.424 44.806 45.100 0.216 0.000 0.924 697 G HN 0.838 nan 8.290 nan 0.000 0.540 698 V N 0.636 120.628 119.914 0.129 0.000 2.394 698 V HA 0.614 4.740 4.120 0.010 0.000 0.282 698 V C 1.002 177.159 176.094 0.104 0.000 1.031 698 V CA -0.099 62.213 62.300 0.019 0.000 0.881 698 V CB 0.981 32.775 31.823 -0.048 0.000 0.982 698 V HN 1.678 nan 8.190 nan 0.000 0.451 699 V N 3.865 123.834 119.914 0.091 0.000 2.439 699 V HA 0.659 4.785 4.120 0.010 0.000 0.282 699 V C -1.851 174.192 176.094 -0.086 0.000 1.039 699 V CA -1.732 60.618 62.300 0.085 0.000 0.913 699 V CB 0.979 32.883 31.823 0.134 0.000 0.983 699 V HN 0.754 nan 8.190 nan 0.000 0.460 700 P HA 0.624 nan 4.420 nan 0.000 0.274 700 P C 0.225 177.519 177.300 -0.010 0.000 1.256 700 P CA 0.607 63.698 63.100 -0.016 0.000 0.795 700 P CB 1.067 32.934 31.700 0.278 0.000 1.038 701 G N 0.090 108.906 108.800 0.027 0.000 2.640 701 G HA2 -0.114 3.852 3.960 0.010 0.000 0.686 701 G HA3 -0.114 3.852 3.960 0.010 0.000 0.686 701 G C 0.622 175.547 174.900 0.041 0.000 1.229 701 G CA -0.676 44.469 45.100 0.075 0.000 0.796 701 G HN 0.431 nan 8.290 nan 0.000 0.654 702 R N 0.272 120.813 120.500 0.068 0.000 2.105 702 R HA -0.047 4.299 4.340 0.010 0.000 0.239 702 R C 0.728 177.067 176.300 0.065 0.000 1.135 702 R CA 1.537 57.670 56.100 0.055 0.000 0.967 702 R CB 0.049 30.370 30.300 0.035 0.000 0.861 702 R HN 0.711 nan 8.270 nan 0.000 0.442 703 E N 0.924 121.190 120.200 0.110 0.000 2.238 703 E HA 0.374 4.730 4.350 0.010 0.000 0.267 703 E C -0.596 176.219 176.600 0.359 0.000 0.887 703 E CA -0.556 55.968 56.400 0.206 0.000 0.769 703 E CB 2.353 32.182 29.700 0.215 0.000 1.187 703 E HN 0.112 nan 8.360 nan 0.000 0.416 704 I N -1.173 119.561 120.570 0.273 0.000 2.603 704 I HA 0.543 4.718 4.170 0.010 0.000 0.300 704 I C -0.280 175.755 176.117 -0.137 0.000 1.017 704 I CA -1.115 60.268 61.300 0.137 0.000 1.098 704 I CB 1.850 39.881 38.000 0.051 0.000 1.279 704 I HN 0.309 nan 8.210 nan 0.000 0.437 705 R N 4.724 124.849 120.500 -0.625 0.000 2.216 705 R HA 0.546 4.892 4.340 0.010 0.000 0.332 705 R C -1.487 174.508 176.300 -0.509 0.000 1.056 705 R CA -0.401 55.057 56.100 -1.071 0.000 0.901 705 R CB 1.032 30.364 30.300 -1.613 0.000 1.039 705 R HN 0.697 nan 8.270 nan 0.000 0.456 706 V N 6.303 125.995 119.914 -0.371 0.000 2.347 706 V HA 0.279 4.405 4.120 0.010 0.000 0.280 706 V C 0.223 176.190 176.094 -0.212 0.000 1.021 706 V CA -0.589 61.556 62.300 -0.259 0.000 0.847 706 V CB 1.408 33.111 31.823 -0.201 0.000 0.990 706 V HN 0.547 nan 8.190 nan 0.000 0.444 710 E N 6.145 126.372 120.200 0.045 0.000 2.585 710 E HA -0.076 4.279 4.350 0.010 0.000 0.252 710 E C -0.265 176.401 176.600 0.109 0.000 0.981 710 E CA 0.721 57.150 56.400 0.049 0.000 0.943 710 E CB 0.309 30.018 29.700 0.016 0.000 0.923 710 E HN 0.531 nan 8.360 nan 0.000 0.486 711 D N 3.220 123.686 120.400 0.110 0.000 2.837 711 D HA -0.250 4.395 4.640 0.010 0.000 0.230 711 D C -0.292 176.166 176.300 0.265 0.000 1.152 711 D CA 1.020 55.105 54.000 0.141 0.000 0.736 711 D CB -1.008 39.863 40.800 0.118 0.000 1.084 711 D HN 0.706 nan 8.370 nan 0.000 0.429 712 W N 0.012 121.287 121.300 -0.041 0.000 5.070 712 W HA 0.086 4.751 4.660 0.009 0.000 0.176 712 W C -0.613 175.860 176.519 -0.076 0.000 1.077 712 W CA 0.365 57.680 57.345 -0.050 0.000 1.880 712 W CB 1.010 30.445 29.460 -0.042 0.000 0.615 712 W HN -0.048 nan 8.180 nan 0.000 1.044 713 D N 0.665 121.071 120.400 0.011 0.000 2.803 713 D HA 0.394 5.040 4.640 0.010 0.000 0.218 713 D C -2.003 174.203 176.300 -0.157 0.000 1.245 713 D CA -0.199 53.717 54.000 -0.141 0.000 0.821 713 D CB 2.549 43.307 40.800 -0.070 0.000 1.626 713 D HN -0.168 nan 8.370 nan 0.000 0.487 714 V N 3.163 122.915 119.914 -0.270 0.000 2.777 714 V HA 0.607 4.733 4.120 0.010 0.000 0.306 714 V C -1.768 174.100 176.094 -0.377 0.000 1.112 714 V CA -0.085 61.990 62.300 -0.375 0.000 0.917 714 V CB 1.656 33.104 31.823 -0.625 0.000 1.018 714 V HN 0.662 nan 8.190 nan 0.000 0.426 715 Q N 4.169 123.767 119.800 -0.335 0.000 2.377 715 Q HA 0.764 5.110 4.340 0.010 0.000 0.279 715 Q C -0.447 175.416 176.000 -0.227 0.000 1.049 715 Q CA -0.493 55.134 55.803 -0.294 0.000 0.825 715 Q CB 2.546 31.095 28.738 -0.316 0.000 1.401 715 Q HN 1.018 nan 8.270 nan 0.000 0.404 719 G N 0.136 109.019 108.800 0.139 0.000 2.531 719 G HA2 0.598 4.564 3.960 0.010 0.000 0.313 719 G HA3 0.598 4.564 3.960 0.010 0.000 0.313 719 G C 0.238 174.910 174.900 -0.378 0.000 1.238 719 G CA 0.160 45.167 45.100 -0.155 0.000 0.994 719 G HN 0.726 nan 8.290 nan 0.000 0.493 720 T N -1.554 112.604 114.554 -0.661 0.000 2.743 720 T HA 0.507 4.863 4.350 0.010 0.000 0.293 720 T C -0.373 173.852 174.700 -0.792 0.000 0.945 720 T CA -0.536 61.219 62.100 -0.575 0.000 1.030 720 T CB 0.755 69.348 68.868 -0.457 0.000 0.912 720 T HN 0.475 nan 8.240 nan 0.000 0.483 721 H N 1.971 120.644 119.070 -0.661 0.000 2.670 721 H HA 0.445 5.006 4.556 0.010 0.000 0.361 721 H C 0.102 175.289 175.328 -0.235 0.000 1.169 721 H CA -0.813 54.947 56.048 -0.480 0.000 1.198 721 H CB 1.836 31.307 29.762 -0.484 0.000 1.700 721 H HN 0.505 nan 8.280 nan 0.000 0.542 722 L N 3.013 124.275 121.223 0.065 0.000 2.417 722 L HA 0.104 4.450 4.340 0.010 0.000 0.268 722 L C -1.122 175.984 176.870 0.394 0.000 1.158 722 L CA -1.485 53.472 54.840 0.196 0.000 0.819 722 L CB 0.629 42.777 42.059 0.149 0.000 1.112 722 L HN 0.477 nan 8.230 nan 0.000 0.458 723 P HA -0.020 nan 4.420 nan 0.000 0.245 723 P C -0.209 177.169 177.300 0.131 0.000 1.212 723 P CA 0.463 63.727 63.100 0.273 0.000 0.774 723 P CB 0.371 32.221 31.700 0.251 0.000 0.999 724 S N -2.429 113.356 115.700 0.141 0.000 2.547 724 S HA 0.308 4.783 4.470 0.010 0.000 0.270 724 S C 0.816 175.451 174.600 0.057 0.000 1.150 724 S CA -0.084 58.157 58.200 0.067 0.000 0.850 724 S CB 0.834 64.056 63.200 0.037 0.000 1.118 724 S HN -0.017 nan 8.310 nan 0.000 0.461 725 T N -1.094 113.466 114.554 0.010 0.000 2.962 725 T HA 0.105 4.461 4.350 0.010 0.000 0.270 725 T C 1.960 176.651 174.700 -0.016 0.000 1.088 725 T CA 1.394 63.486 62.100 -0.013 0.000 1.127 725 T CB -1.097 67.723 68.868 -0.080 0.000 0.883 725 T HN 1.081 nan 8.240 nan 0.000 0.493 726 G N 1.589 110.382 108.800 -0.012 0.000 2.448 726 G HA2 -0.008 3.958 3.960 0.010 0.000 0.219 726 G HA3 -0.008 3.958 3.960 0.010 0.000 0.219 726 G C 1.398 176.306 174.900 0.012 0.000 1.127 726 G CA 0.446 45.541 45.100 -0.010 0.000 0.766 726 G HN 0.557 nan 8.290 nan 0.000 0.552 727 L N 0.584 121.831 121.223 0.040 0.000 2.552 727 L HA 0.038 4.383 4.340 0.010 0.000 0.227 727 L C 2.584 179.477 176.870 0.037 0.000 1.146 727 L CA -0.234 54.645 54.840 0.065 0.000 0.858 727 L CB 0.023 42.161 42.059 0.132 0.000 0.969 727 L HN 0.059 nan 8.230 nan 0.000 0.451 728 V N -0.103 119.819 119.914 0.014 0.000 2.515 728 V HA 0.029 4.154 4.120 0.010 0.000 0.250 728 V C 1.451 177.525 176.094 -0.033 0.000 1.058 728 V CA 1.107 63.397 62.300 -0.016 0.000 1.064 728 V CB -1.115 30.703 31.823 -0.008 0.000 0.675 728 V HN 0.665 nan 8.190 nan 0.000 0.461 729 G N 0.029 108.820 108.800 -0.015 0.000 2.796 729 G HA2 -0.167 3.799 3.960 0.010 0.000 0.226 729 G HA3 -0.167 3.799 3.960 0.010 0.000 0.226 729 G C -2.667 172.225 174.900 -0.013 0.000 1.381 729 G CA -0.619 44.473 45.100 -0.013 0.000 0.867 729 G HN 0.334 nan 8.290 nan 0.000 0.552 730 P HA 0.326 nan 4.420 nan 0.000 0.265 730 P C 0.362 177.677 177.300 0.024 0.000 1.187 730 P CA 0.239 63.344 63.100 0.008 0.000 0.766 730 P CB 0.333 32.042 31.700 0.016 0.000 0.820 734 L N 3.085 124.377 121.223 0.117 0.000 2.357 734 L HA 0.336 4.681 4.340 0.010 0.000 0.211 734 L C 0.650 177.536 176.870 0.026 0.000 1.075 734 L CA 0.412 55.284 54.840 0.053 0.000 0.830 734 L CB 0.091 42.165 42.059 0.024 0.000 0.996 734 L HN 0.529 nan 8.230 nan 0.000 0.467 735 R N -0.748 119.776 120.500 0.039 0.000 2.594 735 R HA 0.415 4.761 4.340 0.010 0.000 0.265 735 R C -1.205 175.118 176.300 0.039 0.000 1.070 735 R CA -0.153 55.957 56.100 0.016 0.000 0.909 735 R CB 1.762 32.045 30.300 -0.028 0.000 1.243 735 R HN -0.177 nan 8.270 nan 0.000 0.455 736 T N 2.169 116.741 114.554 0.030 0.000 2.863 736 T HA 0.688 5.044 4.350 0.010 0.000 0.285 736 T C -1.715 173.000 174.700 0.025 0.000 1.009 736 T CA -0.401 61.721 62.100 0.037 0.000 0.989 736 T CB 0.744 69.636 68.868 0.041 0.000 1.004 736 T HN 0.663 nan 8.240 nan 0.000 0.455 737 E N 2.584 122.802 120.200 0.030 0.000 2.388 737 E HA 0.349 4.705 4.350 0.010 0.000 0.280 737 E C -1.231 175.387 176.600 0.031 0.000 1.019 737 E CA -1.180 55.233 56.400 0.021 0.000 0.806 737 E CB 1.424 31.128 29.700 0.006 0.000 1.246 737 E HN 0.558 nan 8.360 nan 0.000 0.443 738 R N 2.301 122.815 120.500 0.024 0.000 2.265 738 R HA 0.226 4.572 4.340 0.010 0.000 0.314 738 R C 0.377 176.693 176.300 0.027 0.000 1.053 738 R CA -0.380 55.737 56.100 0.029 0.000 0.931 738 R CB 0.527 30.839 30.300 0.019 0.000 1.024 738 R HN 0.590 nan 8.270 nan 0.000 0.457 739 I N 2.698 123.290 120.570 0.036 0.000 2.628 739 I HA -0.023 4.153 4.170 0.010 0.000 0.255 739 I C 0.633 176.768 176.117 0.030 0.000 1.119 739 I CA 1.051 62.371 61.300 0.034 0.000 1.448 739 I CB -0.901 37.125 38.000 0.044 0.000 1.133 739 I HN 0.740 nan 8.210 nan 0.000 0.438 740 Q N -0.932 118.889 119.800 0.034 0.000 2.804 740 Q HA 0.271 4.616 4.340 0.010 0.000 0.302 740 Q C -1.540 174.481 176.000 0.035 0.000 0.885 740 Q CA -0.882 54.939 55.803 0.030 0.000 0.759 740 Q CB 0.800 29.556 28.738 0.030 0.000 1.465 740 Q HN -0.162 nan 8.270 nan 0.000 0.432 741 D N 0.546 120.965 120.400 0.031 0.000 2.520 741 D HA 0.277 4.923 4.640 0.010 0.000 0.243 741 D C 1.098 177.427 176.300 0.049 0.000 1.160 741 D CA 2.583 56.603 54.000 0.034 0.000 0.877 741 D CB 0.511 41.328 40.800 0.029 0.000 1.150 741 D HN 0.901 nan 8.370 nan 0.000 0.494 742 G N 1.310 110.144 108.800 0.056 0.000 2.159 742 G HA2 -0.220 3.746 3.960 0.010 0.000 0.256 742 G HA3 -0.220 3.746 3.960 0.010 0.000 0.256 742 G C 0.072 175.038 174.900 0.111 0.000 0.977 742 G CA 0.233 45.386 45.100 0.088 0.000 0.652 742 G HN 0.529 nan 8.290 nan 0.000 0.531 743 V N 0.932 120.900 119.914 0.090 0.000 2.482 743 V HA 0.620 4.746 4.120 0.010 0.000 0.295 743 V C -0.707 175.442 176.094 0.092 0.000 1.026 743 V CA -1.169 61.192 62.300 0.101 0.000 0.856 743 V CB 1.836 33.709 31.823 0.084 0.000 1.001 743 V HN 0.243 nan 8.190 nan 0.000 0.424 744 E N 3.413 123.682 120.200 0.116 0.000 2.183 744 E HA 0.531 4.887 4.350 0.010 0.000 0.271 744 E C -0.614 176.042 176.600 0.094 0.000 0.919 744 E CA -0.783 55.680 56.400 0.104 0.000 0.781 744 E CB 3.002 32.789 29.700 0.145 0.000 1.140 744 E HN 0.614 nan 8.360 nan 0.000 0.402 745 R N 2.295 122.843 120.500 0.079 0.000 2.460 745 R HA 0.536 4.881 4.340 0.010 0.000 0.303 745 R C -0.878 175.478 176.300 0.094 0.000 0.968 745 R CA -0.588 55.564 56.100 0.087 0.000 0.889 745 R CB 0.614 30.957 30.300 0.071 0.000 1.123 745 R HN 0.349 nan 8.270 nan 0.000 0.455 746 I N 5.454 126.105 120.570 0.135 0.000 2.418 746 I HA 0.346 4.522 4.170 0.010 0.000 0.287 746 I C -0.490 175.806 176.117 0.300 0.000 1.008 746 I CA -0.279 61.123 61.300 0.171 0.000 1.104 746 I CB 1.917 39.994 38.000 0.128 0.000 1.264 746 I HN 0.503 nan 8.210 nan 0.000 0.438 747 I N 7.140 127.852 120.570 0.236 0.000 2.377 747 I HA 0.555 4.730 4.170 0.010 0.000 0.293 747 I C -0.696 175.612 176.117 0.319 0.000 0.987 747 I CA -0.602 60.824 61.300 0.209 0.000 1.185 747 I CB 0.849 38.838 38.000 -0.018 0.000 1.341 747 I HN 0.483 nan 8.210 nan 0.000 0.455 748 F N 4.092 124.139 119.950 0.163 0.000 2.662 748 F HA 0.937 5.471 4.527 0.010 0.000 0.312 748 F C -0.960 174.994 175.800 0.257 0.000 1.113 748 F CA -1.063 57.033 58.000 0.161 0.000 0.951 748 F CB 1.463 40.540 39.000 0.128 0.000 1.344 748 F HN 0.382 nan 8.300 nan 0.000 0.462 749 A N 0.874 123.879 122.820 0.309 0.000 2.371 749 A HA 0.772 5.097 4.320 0.010 0.000 0.311 749 A C -1.539 176.176 177.584 0.218 0.000 1.068 749 A CA -0.696 51.520 52.037 0.298 0.000 0.744 749 A CB 1.128 20.270 19.000 0.237 0.000 1.239 749 A HN 0.995 nan 8.150 nan 0.000 0.435 750 C N 1.063 120.346 119.300 -0.027 0.000 2.379 750 C HA 0.993 5.459 4.460 0.010 0.000 0.323 750 C C 0.649 175.519 174.990 -0.200 0.000 1.262 750 C CA 0.434 59.327 59.018 -0.208 0.000 1.581 750 C CB 0.415 27.889 27.740 -0.443 0.000 2.221 750 C HN 1.980 nan 8.230 nan 0.000 0.497 751 G N 2.826 111.579 108.800 -0.078 0.000 2.406 751 G HA2 0.104 4.070 3.960 0.010 0.000 0.680 751 G HA3 0.104 4.070 3.960 0.010 0.000 0.680 751 G C -0.952 173.947 174.900 -0.001 0.000 1.338 751 G CA -0.855 44.219 45.100 -0.042 0.000 0.941 751 G HN 0.639 nan 8.290 nan 0.000 0.633 752 E N 0.000 120.203 120.200 0.005 0.000 2.725 752 E HA 0.000 4.356 4.350 0.010 0.000 0.291 752 E CA 0.000 56.408 56.400 0.014 0.000 0.976 752 E CB 0.000 29.709 29.700 0.014 0.000 0.812 752 E HN 0.000 nan 8.360 nan 0.000 0.440