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 2zzg_1_B DATA FIRST_RESID 2 DATA SEQUENCE EFIMKTRMFE EEGWIRKKCK VCGKPFWTLD PDRETCGDPP CDEYQFIGKP DATA SEQUENCE GIPRKYTLDE MREKFLRFFE KHEIYPHGRV KRYPVLPRWR DDVLLVGASI DATA SEQUENCE MDFQPWVISG EADPPANPLV ISQPSIRFTD IDNVGITGRH FTIFEMMAHH DATA SEQUENCE AFNYPGKPIY WMDETVELAF EFFTKELKMK PEDITFKENP WAGGGNAGPA DATA SEQUENCE FEVLYRGLEV ATLVFMQYKK APXXXXQDQV VVIKGEKYIP METKVVDTGY DATA SEQUENCE GLERLVWMSQ GTPTAYDAVL GYVVEPLKKM AGIEKIDEKI LMENSRLAGM DATA SEQUENCE FDIEDXXXLR YLREQVAKRV GITVEELEKA IRPYELIYAI ADHTKALTFM DATA SEQUENCE LADGVVPSNV KAGYLARLLI RKSIRHLREL GLEVPLSEIV ALHIKELHKT DATA SEQUENCE FPEFKEMEDI ILEMIELEEK KYAETLRRGS DLVRREIAKL KKKGIKEIPV DATA SEQUENCE EKLVTFYESH GLTPEIVKEI AEKEGVKVNI PDNFYSMVAK EAERTXXXXX DATA SEQUENCE XXLVDFELLK DLPDTRRLYY EDPFMKEFDA KVLRVIKDWV ILDATAFYPE DATA SEQUENCE GGGQPYDTGV LIVNGREVKV TNVQKVGKVI IHKVEDPGAF KEGMIVHGKI DATA SEQUENCE DWKRRIQHMR HHTGTHVLMG ALVRVLGRHV WQAGSQLTTD WARLDISHYK DATA SEQUENCE RISEEELKEI EMLANRIVME DRKVTWEWLP RTTAEQKYGF RLYQGGVVPG DATA SEQUENCE REIRVVKIED WDVQACGGTH LPSTGLVGPI KILRTERIQD 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 0.000 176.396 176.600 -0.340 0.000 1.382 2 E CA 0.000 56.154 56.400 -0.410 0.000 0.976 2 E CB 0.000 29.237 29.700 -0.772 0.000 0.812 3 F N 1.283 121.275 119.950 0.071 0.000 2.467 3 F HA 0.399 4.777 4.527 -0.248 0.000 0.336 3 F C 1.324 177.180 175.800 0.093 0.000 1.123 3 F CA -0.691 57.359 58.000 0.083 0.000 0.964 3 F CB 0.909 39.953 39.000 0.073 0.000 1.136 3 F HN -0.050 nan 8.300 nan 0.000 0.447 4 I N 1.738 122.480 120.570 0.286 0.000 2.185 4 I HA -0.093 3.928 4.170 -0.249 0.000 0.235 4 I C 1.511 177.797 176.117 0.281 0.000 1.069 4 I CA 0.972 62.409 61.300 0.228 0.000 1.354 4 I CB -0.401 37.705 38.000 0.177 0.000 1.093 4 I HN 0.639 nan 8.210 nan 0.000 0.411 5 M N -1.063 118.660 119.600 0.205 0.000 3.008 5 M HA -0.212 4.118 4.480 -0.249 0.000 0.213 5 M C 0.067 176.536 176.300 0.282 0.000 0.575 5 M CA 0.427 55.856 55.300 0.214 0.000 0.809 5 M CB -1.979 30.800 32.600 0.299 0.000 2.887 5 M HN 0.167 nan 8.290 nan 0.000 0.325 6 K N 2.279 122.812 120.400 0.222 0.000 2.489 6 K HA 0.243 4.414 4.320 -0.249 0.000 0.278 6 K C 0.769 177.270 176.600 -0.165 0.000 1.000 6 K CA 0.998 57.344 56.287 0.098 0.000 1.012 6 K CB 0.578 33.159 32.500 0.134 0.000 0.903 6 K HN 0.332 nan 8.250 nan 0.000 0.485 7 T N -0.805 113.497 114.554 -0.420 0.000 2.907 7 T HA 0.298 4.499 4.350 -0.249 0.000 0.292 7 T C 0.934 175.352 174.700 -0.471 0.000 1.043 7 T CA -1.081 60.660 62.100 -0.599 0.000 1.003 7 T CB 1.864 70.076 68.868 -1.092 0.000 1.084 7 T HN 0.639 nan 8.240 nan 0.000 0.483 8 R N 0.659 120.952 120.500 -0.344 0.000 2.136 8 R HA -0.167 4.023 4.340 -0.249 0.000 0.242 8 R C 2.417 178.574 176.300 -0.238 0.000 1.131 8 R CA 2.348 58.317 56.100 -0.218 0.000 0.937 8 R CB -0.469 29.732 30.300 -0.165 0.000 0.863 8 R HN 0.842 nan 8.270 nan 0.000 0.435 9 M N -0.353 119.016 119.600 -0.384 0.000 2.106 9 M HA -0.235 4.096 4.480 -0.249 0.000 0.259 9 M C 1.530 177.717 176.300 -0.188 0.000 1.068 9 M CA 1.788 56.883 55.300 -0.342 0.000 1.100 9 M CB -0.116 32.148 32.600 -0.561 0.000 1.351 9 M HN 0.149 nan 8.290 nan 0.000 0.404 10 F N 0.385 120.058 119.950 -0.461 0.000 2.163 10 F HA -0.113 4.264 4.527 -0.250 0.000 0.297 10 F C 2.420 178.231 175.800 0.018 0.000 1.094 10 F CA 1.443 59.227 58.000 -0.360 0.000 1.290 10 F CB -1.271 37.194 39.000 -0.891 0.000 1.017 10 F HN 0.273 nan 8.300 nan 0.000 0.483 11 E N 0.253 120.530 120.200 0.127 0.000 2.017 11 E HA -0.227 3.974 4.350 -0.249 0.000 0.193 11 E C 2.118 178.782 176.600 0.106 0.000 0.997 11 E CA 1.669 58.139 56.400 0.117 0.000 0.804 11 E CB -0.050 29.675 29.700 0.042 0.000 0.757 11 E HN 0.400 nan 8.360 nan 0.000 0.448 12 E N 0.006 120.246 120.200 0.066 0.000 2.023 12 E HA -0.177 4.024 4.350 -0.249 0.000 0.196 12 E C 1.606 178.259 176.600 0.089 0.000 1.003 12 E CA 1.376 57.812 56.400 0.060 0.000 0.809 12 E CB 0.090 29.808 29.700 0.029 0.000 0.755 12 E HN 0.232 nan 8.360 nan 0.000 0.449 13 E N -0.568 119.721 120.200 0.147 0.000 2.476 13 E HA 0.086 4.287 4.350 -0.249 0.000 0.191 13 E C 0.450 177.061 176.600 0.017 0.000 1.064 13 E CA 0.562 57.023 56.400 0.102 0.000 0.866 13 E CB 0.827 30.610 29.700 0.139 0.000 0.952 13 E HN 0.370 nan 8.360 nan 0.000 0.492 14 G N 1.823 110.686 108.800 0.105 0.000 2.291 14 G HA2 -0.234 3.577 3.960 -0.249 0.000 0.271 14 G HA3 -0.234 3.577 3.960 -0.249 0.000 0.271 14 G C -0.648 174.246 174.900 -0.010 0.000 1.099 14 G CA -0.305 44.821 45.100 0.044 0.000 0.919 14 G HN 0.176 nan 8.290 nan 0.000 0.496 15 W N -0.423 120.905 121.300 0.047 0.000 2.287 15 W HA 0.642 5.154 4.660 -0.247 0.000 0.313 15 W C 0.889 177.468 176.519 0.100 0.000 1.267 15 W CA -0.791 56.577 57.345 0.038 0.000 1.201 15 W CB 0.505 29.927 29.460 -0.063 0.000 1.196 15 W HN 0.232 nan 8.180 nan 0.000 0.536 16 I N 3.495 124.173 120.570 0.180 0.000 2.396 16 I HA 0.348 4.368 4.170 -0.249 0.000 0.292 16 I C 0.445 176.417 176.117 -0.241 0.000 0.999 16 I CA -1.021 60.274 61.300 -0.008 0.000 1.310 16 I CB 0.988 38.935 38.000 -0.089 0.000 1.404 16 I HN 0.297 nan 8.210 nan 0.000 0.496 17 R N 6.242 126.405 120.500 -0.561 0.000 2.229 17 R HA 0.480 4.670 4.340 -0.249 0.000 0.332 17 R C -1.078 174.789 176.300 -0.722 0.000 0.989 17 R CA -0.522 54.941 56.100 -1.062 0.000 0.842 17 R CB 0.732 29.997 30.300 -1.725 0.000 1.119 17 R HN 0.645 nan 8.270 nan 0.000 0.456 18 K N 2.904 122.791 120.400 -0.855 0.000 2.295 18 K HA 0.444 4.615 4.320 -0.249 0.000 0.239 18 K C -0.787 175.623 176.600 -0.316 0.000 0.991 18 K CA -1.179 54.779 56.287 -0.550 0.000 0.845 18 K CB 1.525 33.710 32.500 -0.526 0.000 1.197 18 K HN 0.272 nan 8.250 nan 0.000 0.441 19 K N 0.822 121.191 120.400 -0.052 0.000 2.130 19 K HA 0.215 4.386 4.320 -0.249 0.000 0.268 19 K C -0.239 176.510 176.600 0.249 0.000 0.983 19 K CA -0.615 55.735 56.287 0.105 0.000 0.893 19 K CB 1.687 34.209 32.500 0.038 0.000 1.066 19 K HN 0.657 nan 8.250 nan 0.000 0.450 20 C N 3.342 122.799 119.300 0.262 0.000 2.637 20 C HA 0.094 4.405 4.460 -0.249 0.000 0.418 20 C C 1.885 176.913 174.990 0.063 0.000 1.319 20 C CA -0.285 58.812 59.018 0.133 0.000 1.949 20 C CB -0.231 27.494 27.740 -0.023 0.000 2.639 20 C HN 0.677 nan 8.230 nan 0.000 0.594 21 K N 3.366 123.789 120.400 0.039 0.000 2.020 21 K HA -0.110 4.061 4.320 -0.249 0.000 0.212 21 K C 1.811 178.410 176.600 -0.001 0.000 1.050 21 K CA 1.665 57.962 56.287 0.016 0.000 0.929 21 K CB -0.579 31.924 32.500 0.006 0.000 0.714 21 K HN 0.737 nan 8.250 nan 0.000 0.443 22 V N 1.171 121.073 119.914 -0.020 0.000 2.239 22 V HA -0.245 3.726 4.120 -0.249 0.000 0.236 22 V C 2.698 178.783 176.094 -0.015 0.000 1.040 22 V CA 1.978 64.263 62.300 -0.025 0.000 0.996 22 V CB -0.833 30.965 31.823 -0.042 0.000 0.640 22 V HN 0.518 nan 8.190 nan 0.000 0.456 23 C N 0.541 119.830 119.300 -0.018 0.000 2.481 23 C HA 0.420 4.731 4.460 -0.249 0.000 0.275 23 C C 2.108 177.107 174.990 0.016 0.000 1.419 23 C CA -0.162 58.855 59.018 -0.002 0.000 1.773 23 C CB -0.933 26.805 27.740 -0.003 0.000 1.862 23 C HN 1.149 nan 8.230 nan 0.000 0.530 24 G N 0.587 109.403 108.800 0.026 0.000 2.148 24 G HA2 -0.238 3.572 3.960 -0.249 0.000 0.254 24 G HA3 -0.238 3.572 3.960 -0.249 0.000 0.254 24 G C -0.002 174.934 174.900 0.061 0.000 0.981 24 G CA 0.406 45.531 45.100 0.041 0.000 0.670 24 G HN 0.728 nan 8.290 nan 0.000 0.528 25 K N 0.820 121.269 120.400 0.080 0.000 2.218 25 K HA 0.369 4.540 4.320 -0.249 0.000 0.276 25 K C -2.462 174.245 176.600 0.179 0.000 1.022 25 K CA -1.760 54.594 56.287 0.111 0.000 0.946 25 K CB 1.005 33.570 32.500 0.108 0.000 1.000 25 K HN -0.012 nan 8.250 nan 0.000 0.468 26 P HA -0.009 nan 4.420 nan 0.000 0.266 26 P C -1.078 176.351 177.300 0.216 0.000 1.215 26 P CA 0.224 63.380 63.100 0.093 0.000 0.763 26 P CB 0.029 31.764 31.700 0.059 0.000 0.806 27 F N 0.987 120.895 119.950 -0.070 0.000 2.588 27 F HA 0.758 5.135 4.527 -0.249 0.000 0.314 27 F C -1.574 174.141 175.800 -0.141 0.000 1.069 27 F CA -1.432 56.582 58.000 0.023 0.000 0.931 27 F CB 1.272 40.325 39.000 0.088 0.000 1.260 27 F HN 0.128 nan 8.300 nan 0.000 0.465 28 W N 2.183 123.439 121.300 -0.075 0.000 2.314 28 W HA 0.590 5.100 4.660 -0.250 0.000 0.310 28 W C -0.107 176.461 176.519 0.082 0.000 1.075 28 W CA -0.665 56.506 57.345 -0.290 0.000 1.253 28 W CB 1.887 30.857 29.460 -0.817 0.000 1.238 28 W HN 0.744 nan 8.180 nan 0.000 0.440 29 T N 2.835 117.522 114.554 0.222 0.000 2.912 29 T HA 0.298 4.498 4.350 -0.249 0.000 0.288 29 T C 0.161 174.996 174.700 0.226 0.000 1.030 29 T CA -0.539 61.802 62.100 0.402 0.000 1.020 29 T CB 1.251 70.322 68.868 0.339 0.000 1.056 29 T HN 0.328 nan 8.240 nan 0.000 0.480 30 L N 2.017 123.195 121.223 -0.075 0.000 2.446 30 L HA 0.384 4.575 4.340 -0.249 0.000 0.219 30 L C 0.702 177.445 176.870 -0.211 0.000 1.116 30 L CA 1.084 55.614 54.840 -0.518 0.000 0.844 30 L CB -0.010 41.503 42.059 -0.911 0.000 0.970 30 L HN 0.662 nan 8.230 nan 0.000 0.457 31 D N 0.068 120.434 120.400 -0.057 0.000 2.329 31 D HA 0.186 4.677 4.640 -0.249 0.000 0.232 31 D C -1.927 174.375 176.300 0.003 0.000 1.088 31 D CA -1.791 52.196 54.000 -0.021 0.000 0.835 31 D CB 2.165 42.973 40.800 0.013 0.000 1.078 31 D HN 0.045 nan 8.370 nan 0.000 0.495 32 P HA 0.037 nan 4.420 nan 0.000 0.245 32 P C 0.355 177.658 177.300 0.006 0.000 1.212 32 P CA 0.256 63.347 63.100 -0.014 0.000 0.774 32 P CB 0.841 32.526 31.700 -0.025 0.000 0.999 33 D N 0.077 120.488 120.400 0.017 0.000 2.197 33 D HA -0.028 4.463 4.640 -0.249 0.000 0.212 33 D C 1.148 177.479 176.300 0.051 0.000 0.963 33 D CA 0.360 54.374 54.000 0.024 0.000 0.864 33 D CB -0.474 40.334 40.800 0.013 0.000 1.009 33 D HN 0.139 nan 8.370 nan 0.000 0.479 34 R N 1.768 122.315 120.500 0.078 0.000 2.481 34 R HA -0.110 4.081 4.340 -0.249 0.000 0.291 34 R C 0.420 176.842 176.300 0.204 0.000 0.934 34 R CA 0.839 57.012 56.100 0.122 0.000 1.116 34 R CB 0.312 30.717 30.300 0.175 0.000 0.895 34 R HN 0.081 nan 8.270 nan 0.000 0.410 35 E N 1.449 121.727 120.200 0.131 0.000 2.421 35 E HA 0.008 4.209 4.350 -0.249 0.000 0.209 35 E C -0.041 176.582 176.600 0.039 0.000 0.871 35 E CA 0.470 56.963 56.400 0.156 0.000 1.064 35 E CB 0.665 30.410 29.700 0.075 0.000 1.075 35 E HN 0.838 nan 8.360 nan 0.000 0.513 36 T N -1.022 113.463 114.554 -0.115 0.000 2.868 36 T HA 0.051 4.251 4.350 -0.249 0.000 0.292 36 T C 1.563 175.852 174.700 -0.685 0.000 1.028 36 T CA -0.411 61.530 62.100 -0.265 0.000 1.059 36 T CB 1.330 70.093 68.868 -0.175 0.000 0.991 36 T HN 0.313 nan 8.240 nan 0.000 0.531 37 C N -0.455 118.419 119.300 -0.711 0.000 2.500 37 C HA 0.535 4.846 4.460 -0.249 0.000 0.273 37 C C 2.058 176.724 174.990 -0.541 0.000 1.428 37 C CA -0.170 58.242 59.018 -1.010 0.000 1.766 37 C CB -1.793 25.681 27.740 -0.443 0.000 1.817 37 C HN 1.647 nan 8.230 nan 0.000 0.543 38 G N 0.609 109.211 108.800 -0.330 0.000 2.130 38 G HA2 -0.093 3.718 3.960 -0.249 0.000 0.216 38 G HA3 -0.093 3.718 3.960 -0.249 0.000 0.216 38 G C -0.625 174.211 174.900 -0.106 0.000 0.999 38 G CA 0.400 45.397 45.100 -0.170 0.000 0.686 38 G HN 0.685 nan 8.290 nan 0.000 0.515 39 D N 0.386 120.720 120.400 -0.109 0.000 2.620 39 D HA 0.506 4.996 4.640 -0.249 0.000 0.252 39 D C -2.326 173.930 176.300 -0.073 0.000 1.207 39 D CA -1.729 52.231 54.000 -0.066 0.000 0.884 39 D CB 2.315 43.091 40.800 -0.040 0.000 1.262 39 D HN -0.014 nan 8.370 nan 0.000 0.552 40 P HA 0.011 nan 4.420 nan 0.000 0.259 40 P C -2.020 175.247 177.300 -0.056 0.000 1.155 40 P CA -0.662 62.377 63.100 -0.102 0.000 0.759 40 P CB 0.109 31.724 31.700 -0.142 0.000 0.753 41 P HA 0.097 nan 4.420 nan 0.000 0.261 41 P C 0.581 177.838 177.300 -0.073 0.000 1.268 41 P CA 0.209 63.267 63.100 -0.069 0.000 0.833 41 P CB -0.109 31.563 31.700 -0.047 0.000 1.231 42 C N -0.392 118.863 119.300 -0.074 0.000 2.432 42 C HA -0.046 4.265 4.460 -0.249 0.000 0.277 42 C C 0.801 175.737 174.990 -0.090 0.000 1.249 42 C CA 0.774 59.743 59.018 -0.083 0.000 1.725 42 C CB -1.444 26.234 27.740 -0.104 0.000 2.028 42 C HN 0.236 nan 8.230 nan 0.000 0.477 43 D N -0.697 119.643 120.400 -0.100 0.000 2.252 43 D HA 0.512 5.002 4.640 -0.249 0.000 0.245 43 D C -0.472 175.762 176.300 -0.110 0.000 1.009 43 D CA -0.331 53.613 54.000 -0.094 0.000 0.870 43 D CB 0.937 41.683 40.800 -0.091 0.000 1.251 43 D HN 0.213 nan 8.370 nan 0.000 0.460 44 E N 0.134 120.278 120.200 -0.094 0.000 2.314 44 E HA 0.235 4.436 4.350 -0.249 0.000 0.262 44 E C -0.666 175.901 176.600 -0.055 0.000 1.093 44 E CA -0.533 55.797 56.400 -0.116 0.000 0.908 44 E CB 0.440 30.101 29.700 -0.065 0.000 1.091 44 E HN 0.250 nan 8.360 nan 0.000 0.425 45 Y N 1.379 121.660 120.300 -0.032 0.000 2.712 45 Y HA 0.002 4.402 4.550 -0.250 0.000 0.333 45 Y C 0.606 176.436 175.900 -0.116 0.000 1.225 45 Y CA 0.609 58.665 58.100 -0.074 0.000 1.499 45 Y CB 0.471 38.766 38.460 -0.275 0.000 1.288 45 Y HN 0.511 nan 8.280 nan 0.000 0.575 46 Q N 2.473 122.372 119.800 0.166 0.000 2.089 46 Q HA 0.205 4.396 4.340 -0.249 0.000 0.248 46 Q C -0.549 175.508 176.000 0.095 0.000 0.828 46 Q CA -0.106 55.740 55.803 0.070 0.000 1.102 46 Q CB 0.350 29.115 28.738 0.045 0.000 1.221 46 Q HN 0.723 nan 8.270 nan 0.000 0.455 47 F N -2.919 116.953 119.950 -0.131 0.000 2.936 47 F HA 0.464 4.841 4.527 -0.249 0.000 0.334 47 F C -0.230 175.466 175.800 -0.174 0.000 1.170 47 F CA -0.856 57.042 58.000 -0.169 0.000 1.104 47 F CB 0.021 38.876 39.000 -0.241 0.000 1.216 47 F HN -0.211 nan 8.300 nan 0.000 0.518 48 I N 2.266 122.507 120.570 -0.548 0.000 2.379 48 I HA 0.538 4.559 4.170 -0.249 0.000 0.290 48 I C 1.286 177.327 176.117 -0.126 0.000 1.063 48 I CA 0.711 61.811 61.300 -0.335 0.000 1.351 48 I CB 0.430 38.254 38.000 -0.293 0.000 1.410 48 I HN 0.561 nan 8.210 nan 0.000 0.505 49 G N 5.489 114.258 108.800 -0.052 0.000 2.399 49 G HA2 -0.242 3.568 3.960 -0.249 0.000 0.216 49 G HA3 -0.242 3.568 3.960 -0.249 0.000 0.216 49 G C 0.473 175.379 174.900 0.010 0.000 1.096 49 G CA -0.419 44.675 45.100 -0.011 0.000 0.650 49 G HN 0.535 nan 8.290 nan 0.000 0.512 50 K N 2.419 122.825 120.400 0.011 0.000 2.499 50 K HA 0.370 4.541 4.320 -0.249 0.000 0.215 50 K C -2.628 174.018 176.600 0.077 0.000 1.041 50 K CA -1.668 54.641 56.287 0.036 0.000 1.031 50 K CB 2.016 34.530 32.500 0.024 0.000 1.479 50 K HN 0.214 nan 8.250 nan 0.000 0.518 51 P HA -0.032 nan 4.420 nan 0.000 0.263 51 P C 0.560 177.912 177.300 0.087 0.000 1.195 51 P CA 0.151 63.315 63.100 0.107 0.000 0.762 51 P CB 0.882 32.638 31.700 0.093 0.000 0.799 52 G N 3.184 112.034 108.800 0.083 0.000 3.279 52 G HA2 0.230 4.041 3.960 -0.249 0.000 0.230 52 G HA3 0.230 4.041 3.960 -0.249 0.000 0.230 52 G C 0.270 175.235 174.900 0.108 0.000 1.230 52 G CA -0.094 45.090 45.100 0.141 0.000 0.891 52 G HN 0.471 nan 8.290 nan 0.000 0.518 53 I N 0.794 121.381 120.570 0.029 0.000 2.478 53 I HA 0.249 4.270 4.170 -0.249 0.000 0.287 53 I C -1.559 174.598 176.117 0.066 0.000 1.042 53 I CA -2.323 58.979 61.300 0.004 0.000 1.067 53 I CB 3.351 41.328 38.000 -0.038 0.000 1.233 53 I HN -0.128 nan 8.210 nan 0.000 0.431 54 P HA -0.119 nan 4.420 nan 0.000 0.228 54 P C -0.166 177.164 177.300 0.050 0.000 1.151 54 P CA 1.071 64.202 63.100 0.051 0.000 0.770 54 P CB 0.066 31.787 31.700 0.036 0.000 0.786 55 R N -1.194 119.353 120.500 0.078 0.000 2.888 55 R HA 0.597 4.787 4.340 -0.249 0.000 0.266 55 R C -0.671 175.658 176.300 0.049 0.000 1.020 55 R CA -1.156 54.952 56.100 0.013 0.000 0.963 55 R CB 1.335 31.576 30.300 -0.099 0.000 1.197 55 R HN -0.291 nan 8.270 nan 0.000 0.481 56 K N 1.297 121.677 120.400 -0.033 0.000 2.234 56 K HA 0.227 4.398 4.320 -0.249 0.000 0.282 56 K C -1.120 175.430 176.600 -0.083 0.000 1.039 56 K CA -0.243 56.065 56.287 0.034 0.000 0.928 56 K CB 0.746 33.265 32.500 0.031 0.000 1.039 56 K HN 0.407 nan 8.250 nan 0.000 0.470 57 Y N 0.201 120.530 120.300 0.049 0.000 2.468 57 Y HA 0.185 4.586 4.550 -0.248 0.000 0.342 57 Y C 0.790 176.733 175.900 0.071 0.000 1.021 57 Y CA -0.944 57.189 58.100 0.054 0.000 1.079 57 Y CB 2.024 40.516 38.460 0.053 0.000 1.226 57 Y HN 0.569 nan 8.280 nan 0.000 0.460 58 T N 1.018 115.694 114.554 0.202 0.000 2.882 58 T HA 0.105 4.306 4.350 -0.249 0.000 0.287 58 T C 1.137 175.943 174.700 0.177 0.000 0.992 58 T CA -0.848 61.350 62.100 0.162 0.000 1.076 58 T CB 1.053 69.985 68.868 0.107 0.000 0.961 58 T HN 0.790 nan 8.240 nan 0.000 0.490 59 L N 1.246 122.564 121.223 0.158 0.000 2.186 59 L HA -0.259 3.932 4.340 -0.249 0.000 0.221 59 L C 1.341 178.281 176.870 0.116 0.000 1.087 59 L CA 2.419 57.340 54.840 0.136 0.000 0.794 59 L CB -1.123 41.024 42.059 0.146 0.000 0.893 59 L HN 0.812 nan 8.230 nan 0.000 0.442 60 D N -0.778 119.683 120.400 0.102 0.000 2.149 60 D HA -0.103 4.388 4.640 -0.249 0.000 0.206 60 D C 2.066 178.421 176.300 0.092 0.000 0.967 60 D CA 1.005 55.046 54.000 0.068 0.000 0.848 60 D CB 0.186 41.004 40.800 0.029 0.000 0.998 60 D HN 0.417 nan 8.370 nan 0.000 0.474 61 E N -0.050 120.226 120.200 0.126 0.000 2.012 61 E HA -0.236 3.965 4.350 -0.249 0.000 0.197 61 E C 1.908 178.650 176.600 0.237 0.000 1.007 61 E CA 1.258 57.762 56.400 0.173 0.000 0.816 61 E CB -0.145 29.671 29.700 0.194 0.000 0.762 61 E HN 0.129 nan 8.360 nan 0.000 0.451 62 M N 1.043 120.812 119.600 0.282 0.000 2.144 62 M HA -0.220 4.110 4.480 -0.249 0.000 0.260 62 M C 2.065 178.480 176.300 0.192 0.000 1.067 62 M CA 1.661 57.088 55.300 0.212 0.000 1.095 62 M CB -0.085 32.587 32.600 0.119 0.000 1.365 62 M HN -0.093 nan 8.290 nan 0.000 0.406 63 R N -0.422 120.165 120.500 0.145 0.000 2.073 63 R HA -0.211 3.980 4.340 -0.249 0.000 0.234 63 R C 2.118 178.524 176.300 0.175 0.000 1.134 63 R CA 2.051 58.220 56.100 0.115 0.000 0.952 63 R CB -0.420 29.917 30.300 0.062 0.000 0.850 63 R HN 0.484 nan 8.270 nan 0.000 0.433 64 E N 0.920 121.216 120.200 0.158 0.000 2.106 64 E HA -0.179 4.022 4.350 -0.249 0.000 0.192 64 E C 1.841 178.569 176.600 0.214 0.000 0.984 64 E CA 1.579 58.073 56.400 0.157 0.000 0.806 64 E CB -0.074 29.694 29.700 0.113 0.000 0.750 64 E HN 0.268 nan 8.360 nan 0.000 0.458 65 K N -0.837 119.714 120.400 0.252 0.000 2.044 65 K HA -0.203 3.967 4.320 -0.249 0.000 0.210 65 K C 2.109 178.943 176.600 0.390 0.000 1.049 65 K CA 1.669 58.132 56.287 0.294 0.000 0.927 65 K CB -0.497 32.175 32.500 0.286 0.000 0.713 65 K HN 0.210 nan 8.250 nan 0.000 0.443 66 F N 1.367 121.467 119.950 0.250 0.000 2.075 66 F HA -0.175 4.205 4.527 -0.245 0.000 0.297 66 F C 1.764 177.659 175.800 0.158 0.000 1.113 66 F CA 1.477 59.527 58.000 0.084 0.000 1.218 66 F CB -0.235 38.682 39.000 -0.137 0.000 0.984 66 F HN -0.010 nan 8.300 nan 0.000 0.472 67 L N -0.149 121.302 121.223 0.379 0.000 2.017 67 L HA -0.223 3.968 4.340 -0.249 0.000 0.208 67 L C 2.725 179.724 176.870 0.215 0.000 1.073 67 L CA 1.703 56.715 54.840 0.286 0.000 0.745 67 L CB -0.652 41.543 42.059 0.227 0.000 0.894 67 L HN 0.087 nan 8.230 nan 0.000 0.432 68 R N -0.173 120.445 120.500 0.196 0.000 2.082 68 R HA -0.258 3.932 4.340 -0.249 0.000 0.234 68 R C 2.408 178.791 176.300 0.139 0.000 1.136 68 R CA 2.107 58.297 56.100 0.150 0.000 0.935 68 R CB -0.591 29.791 30.300 0.136 0.000 0.842 68 R HN 0.222 nan 8.270 nan 0.000 0.430 69 F N 0.218 120.157 119.950 -0.018 0.000 2.111 69 F HA -0.313 4.064 4.527 -0.250 0.000 0.300 69 F C 1.422 177.041 175.800 -0.302 0.000 1.088 69 F CA 1.820 59.720 58.000 -0.166 0.000 1.243 69 F CB -0.225 38.642 39.000 -0.221 0.000 0.996 69 F HN 0.054 nan 8.300 nan 0.000 0.483 70 F N 0.087 120.026 119.950 -0.018 0.000 2.387 70 F HA 0.024 4.405 4.527 -0.243 0.000 0.294 70 F C 2.444 178.298 175.800 0.089 0.000 1.093 70 F CA 1.089 59.038 58.000 -0.085 0.000 1.420 70 F CB -0.761 37.995 39.000 -0.407 0.000 1.086 70 F HN -0.027 nan 8.300 nan 0.000 0.531 71 E N 0.711 121.051 120.200 0.232 0.000 2.038 71 E HA -0.195 4.005 4.350 -0.249 0.000 0.195 71 E C 1.367 178.021 176.600 0.090 0.000 1.000 71 E CA 1.141 57.646 56.400 0.174 0.000 0.803 71 E CB 0.114 29.895 29.700 0.134 0.000 0.750 71 E HN 0.087 nan 8.360 nan 0.000 0.448 72 K N 0.511 120.920 120.400 0.015 0.000 2.437 72 K HA 0.024 4.195 4.320 -0.249 0.000 0.198 72 K C 0.165 176.681 176.600 -0.139 0.000 1.024 72 K CA -0.051 56.204 56.287 -0.053 0.000 1.148 72 K CB -0.086 32.377 32.500 -0.063 0.000 0.860 72 K HN 0.287 nan 8.250 nan 0.000 0.515 73 H N 2.579 121.499 119.070 -0.249 0.000 3.004 73 H HA -0.031 4.376 4.556 -0.248 0.000 0.316 73 H C 0.814 175.992 175.328 -0.250 0.000 1.014 73 H CA 0.634 56.455 56.048 -0.379 0.000 1.454 73 H CB 0.920 30.443 29.762 -0.397 0.000 1.472 73 H HN 0.112 nan 8.280 nan 0.000 0.571 74 E N 4.141 123.909 120.200 -0.721 0.000 2.086 74 E HA -0.215 3.986 4.350 -0.249 0.000 0.205 74 E C 2.009 178.390 176.600 -0.364 0.000 1.027 74 E CA 1.753 57.858 56.400 -0.492 0.000 0.830 74 E CB 0.148 29.533 29.700 -0.525 0.000 0.751 74 E HN 0.660 nan 8.360 nan 0.000 0.456 75 I N -1.327 119.002 120.570 -0.401 0.000 2.628 75 I HA -0.129 3.892 4.170 -0.249 0.000 0.255 75 I C 0.412 176.233 176.117 -0.494 0.000 1.119 75 I CA 0.651 61.696 61.300 -0.424 0.000 1.448 75 I CB 0.104 37.778 38.000 -0.543 0.000 1.133 75 I HN -0.026 nan 8.210 nan 0.000 0.438 76 Y N 1.982 122.389 120.300 0.179 0.000 2.555 76 Y HA 0.446 4.847 4.550 -0.247 0.000 0.326 76 Y C -2.450 173.431 175.900 -0.033 0.000 0.984 76 Y CA -3.382 54.714 58.100 -0.008 0.000 1.298 76 Y CB -0.021 38.350 38.460 -0.148 0.000 1.094 76 Y HN -0.093 nan 8.280 nan 0.000 0.500 77 P HA 0.068 nan 4.420 nan 0.000 0.271 77 P C -0.815 176.490 177.300 0.008 0.000 1.218 77 P CA 0.141 63.283 63.100 0.071 0.000 0.780 77 P CB 1.035 32.758 31.700 0.039 0.000 0.901 78 H N -0.381 118.784 119.070 0.158 0.000 2.466 78 H HA 0.473 4.880 4.556 -0.249 0.000 0.338 78 H C 0.834 176.244 175.328 0.136 0.000 1.091 78 H CA -0.245 55.906 56.048 0.172 0.000 1.207 78 H CB 1.029 30.915 29.762 0.206 0.000 1.466 78 H HN 0.489 nan 8.280 nan 0.000 0.493 79 G N 2.866 111.799 108.800 0.221 0.000 2.354 79 G HA2 0.101 3.912 3.960 -0.249 0.000 0.266 79 G HA3 0.101 3.912 3.960 -0.249 0.000 0.266 79 G C -0.111 174.902 174.900 0.188 0.000 1.242 79 G CA -0.558 44.644 45.100 0.169 0.000 0.923 79 G HN 0.597 nan 8.290 nan 0.000 0.476 80 R N 2.311 122.908 120.500 0.161 0.000 2.401 80 R HA 0.302 4.492 4.340 -0.249 0.000 0.299 80 R C -0.588 175.805 176.300 0.156 0.000 1.064 80 R CA -0.269 55.926 56.100 0.158 0.000 1.000 80 R CB 0.579 30.957 30.300 0.130 0.000 0.973 80 R HN 0.259 nan 8.270 nan 0.000 0.438 81 V N 5.666 125.694 119.914 0.189 0.000 2.459 81 V HA 0.192 4.163 4.120 -0.249 0.000 0.295 81 V C -0.064 176.156 176.094 0.210 0.000 1.029 81 V CA -0.770 61.661 62.300 0.219 0.000 0.874 81 V CB 1.592 33.609 31.823 0.322 0.000 0.985 81 V HN 0.724 nan 8.190 nan 0.000 0.438 82 K N 5.238 125.740 120.400 0.171 0.000 2.339 82 K HA 0.297 4.468 4.320 -0.249 0.000 0.286 82 K C 0.318 177.046 176.600 0.213 0.000 1.050 82 K CA -0.566 55.811 56.287 0.150 0.000 0.956 82 K CB 0.718 33.272 32.500 0.090 0.000 0.990 82 K HN 0.754 nan 8.250 nan 0.000 0.475 83 R N 2.941 123.584 120.500 0.238 0.000 2.640 83 R HA -0.020 4.171 4.340 -0.249 0.000 0.270 83 R C -1.062 175.447 176.300 0.347 0.000 1.024 83 R CA 0.252 56.543 56.100 0.318 0.000 1.085 83 R CB -0.143 30.320 30.300 0.271 0.000 0.963 83 R HN 0.405 nan 8.270 nan 0.000 0.426 84 Y N 2.644 122.992 120.300 0.080 0.000 2.314 84 Y HA 0.297 4.680 4.550 -0.277 0.000 0.334 84 Y C -1.717 174.269 175.900 0.144 0.000 1.266 84 Y CA -2.350 55.787 58.100 0.062 0.000 1.391 84 Y CB 0.243 38.563 38.460 -0.233 0.000 1.306 84 Y HN 0.632 nan 8.280 nan 0.000 0.558 85 P HA 0.026 nan 4.420 nan 0.000 0.275 85 P C 0.713 178.149 177.300 0.227 0.000 1.228 85 P CA -0.155 63.091 63.100 0.242 0.000 0.786 85 P CB 0.808 32.606 31.700 0.164 0.000 0.927 86 V N 1.199 121.204 119.914 0.151 0.000 2.759 86 V HA -0.069 3.902 4.120 -0.249 0.000 0.256 86 V C 0.848 176.931 176.094 -0.018 0.000 1.080 86 V CA 1.105 63.450 62.300 0.076 0.000 1.101 86 V CB -1.011 30.849 31.823 0.062 0.000 0.698 86 V HN 0.370 nan 8.190 nan 0.000 0.477 87 L N 2.872 124.052 121.223 -0.071 0.000 2.268 87 L HA 0.422 4.613 4.340 -0.249 0.000 0.289 87 L C -2.221 174.392 176.870 -0.428 0.000 1.064 87 L CA -1.963 52.745 54.840 -0.219 0.000 0.824 87 L CB 1.426 43.352 42.059 -0.221 0.000 1.202 87 L HN 0.191 nan 8.230 nan 0.000 0.433 88 P HA 0.104 nan 4.420 nan 0.000 0.235 88 P C 0.238 176.742 177.300 -1.327 0.000 1.765 88 P CA -0.354 61.833 63.100 -1.522 0.000 1.034 88 P CB 0.044 31.055 31.700 -1.147 0.000 1.984 89 R N 0.840 120.843 120.500 -0.828 0.000 2.133 89 R HA -0.177 4.014 4.340 -0.249 0.000 0.247 89 R C 1.585 177.836 176.300 -0.082 0.000 1.151 89 R CA 1.621 57.581 56.100 -0.234 0.000 0.971 89 R CB -1.364 29.047 30.300 0.186 0.000 0.866 89 R HN 0.606 nan 8.270 nan 0.000 0.447 90 W N 2.531 123.792 121.300 -0.064 0.000 2.611 90 W HA -0.024 4.577 4.660 -0.098 0.000 0.251 90 W C 0.607 177.167 176.519 0.069 0.000 1.265 90 W CA -0.331 56.967 57.345 -0.079 0.000 1.295 90 W CB -0.098 29.524 29.460 0.271 0.000 1.129 90 W HN -0.011 nan 8.180 nan 0.000 0.630 91 R N 0.708 121.002 120.500 -0.343 0.000 2.781 91 R HA 0.348 4.539 4.340 -0.249 0.000 0.269 91 R C -1.064 175.096 176.300 -0.234 0.000 1.025 91 R CA -0.264 55.708 56.100 -0.213 0.000 0.914 91 R CB 0.781 30.904 30.300 -0.295 0.000 1.236 91 R HN 0.023 nan 8.270 nan 0.000 0.465 92 D N -1.477 118.835 120.400 -0.147 0.000 2.599 92 D HA 0.087 4.578 4.640 -0.249 0.000 0.249 92 D C -0.276 175.953 176.300 -0.118 0.000 1.313 92 D CA -0.385 53.544 54.000 -0.118 0.000 0.815 92 D CB 0.505 41.277 40.800 -0.046 0.000 1.077 92 D HN 0.631 nan 8.370 nan 0.000 0.492 93 D N -0.010 120.304 120.400 -0.143 0.000 2.474 93 D HA 0.051 4.541 4.640 -0.249 0.000 0.213 93 D C 0.413 176.646 176.300 -0.111 0.000 1.120 93 D CA -0.129 53.803 54.000 -0.113 0.000 0.836 93 D CB 0.392 41.133 40.800 -0.099 0.000 1.019 93 D HN 0.199 nan 8.370 nan 0.000 0.507 94 V N -1.675 118.153 119.914 -0.143 0.000 2.808 94 V HA 0.394 4.365 4.120 -0.249 0.000 0.308 94 V C 0.567 176.569 176.094 -0.152 0.000 1.099 94 V CA -0.978 61.247 62.300 -0.125 0.000 0.920 94 V CB 2.059 33.819 31.823 -0.104 0.000 1.014 94 V HN -0.169 nan 8.190 nan 0.000 0.425 95 L N 3.512 124.664 121.223 -0.120 0.000 2.056 95 L HA 0.337 4.527 4.340 -0.249 0.000 0.207 95 L C 0.536 177.330 176.870 -0.128 0.000 1.078 95 L CA 1.789 56.553 54.840 -0.128 0.000 0.749 95 L CB -0.623 41.367 42.059 -0.116 0.000 0.901 95 L HN 0.669 nan 8.230 nan 0.000 0.433 96 L N -2.099 119.074 121.223 -0.084 0.000 2.472 96 L HA 0.328 4.519 4.340 -0.249 0.000 0.260 96 L C -0.706 176.146 176.870 -0.030 0.000 0.963 96 L CA -0.864 53.943 54.840 -0.056 0.000 0.829 96 L CB 2.370 44.444 42.059 0.024 0.000 1.348 96 L HN -0.527 nan 8.230 nan 0.000 0.408 97 V N 2.030 121.926 119.914 -0.030 0.000 2.475 97 V HA -0.005 3.966 4.120 -0.249 0.000 0.292 97 V C 1.136 177.230 176.094 -0.000 0.000 1.003 97 V CA 1.459 63.764 62.300 0.008 0.000 1.120 97 V CB 0.713 32.568 31.823 0.054 0.000 0.937 97 V HN 1.056 nan 8.190 nan 0.000 0.476 98 G N 3.625 112.449 108.800 0.039 0.000 2.848 98 G HA2 0.566 4.377 3.960 -0.249 0.000 0.213 98 G HA3 0.566 4.377 3.960 -0.249 0.000 0.213 98 G C 0.284 175.248 174.900 0.107 0.000 1.101 98 G CA 0.712 45.861 45.100 0.083 0.000 0.778 98 G HN 1.002 nan 8.290 nan 0.000 0.536 99 A N -0.077 122.800 122.820 0.095 0.000 2.549 99 A HA 0.613 4.783 4.320 -0.249 0.000 0.297 99 A C 1.228 178.822 177.584 0.017 0.000 1.061 99 A CA 0.541 52.628 52.037 0.084 0.000 0.690 99 A CB 0.821 19.948 19.000 0.211 0.000 1.287 99 A HN 0.589 nan 8.150 nan 0.000 0.402 100 S N 1.382 117.079 115.700 -0.005 0.000 2.380 100 S HA -0.235 4.086 4.470 -0.249 0.000 0.229 100 S C 1.717 176.284 174.600 -0.056 0.000 1.043 100 S CA 1.905 60.093 58.200 -0.019 0.000 1.038 100 S CB -0.706 62.584 63.200 0.150 0.000 0.872 100 S HN 1.286 nan 8.310 nan 0.000 0.456 101 I N 1.761 122.402 120.570 0.119 0.000 2.381 101 I HA -0.148 3.873 4.170 -0.249 0.000 0.255 101 I C 2.306 178.467 176.117 0.074 0.000 1.140 101 I CA 1.347 62.759 61.300 0.187 0.000 1.404 101 I CB -0.445 37.680 38.000 0.208 0.000 1.075 101 I HN 0.331 nan 8.210 nan 0.000 0.433 102 M N -0.319 119.289 119.600 0.014 0.000 2.460 102 M HA -0.164 4.167 4.480 -0.249 0.000 0.263 102 M C 1.245 177.543 176.300 -0.004 0.000 1.071 102 M CA 1.062 56.395 55.300 0.054 0.000 1.096 102 M CB -0.375 32.284 32.600 0.099 0.000 1.408 102 M HN 0.170 nan 8.290 nan 0.000 0.463 103 D N -0.023 120.044 120.400 -0.555 0.000 2.264 103 D HA -0.086 4.405 4.640 -0.249 0.000 0.208 103 D C 0.626 176.178 176.300 -1.246 0.000 0.966 103 D CA 1.218 54.415 54.000 -1.339 0.000 0.864 103 D CB -0.020 39.268 40.800 -2.519 0.000 0.933 103 D HN 0.356 nan 8.370 nan 0.000 0.499 104 F N 0.414 120.252 119.950 -0.187 0.000 2.772 104 F HA 0.362 4.764 4.527 -0.207 0.000 0.302 104 F C 0.584 176.400 175.800 0.027 0.000 1.136 104 F CA -0.463 57.479 58.000 -0.096 0.000 1.322 104 F CB 0.142 39.110 39.000 -0.053 0.000 0.967 104 F HN -0.336 nan 8.300 nan 0.000 0.513 105 Q N 1.251 121.134 119.800 0.138 0.000 2.397 105 Q HA 0.313 4.504 4.340 -0.249 0.000 0.275 105 Q C -1.891 174.058 176.000 -0.084 0.000 1.090 105 Q CA -1.993 53.853 55.803 0.072 0.000 0.809 105 Q CB 3.107 31.898 28.738 0.088 0.000 1.362 105 Q HN -0.169 nan 8.270 nan 0.000 0.431 106 P HA -0.077 nan 4.420 nan 0.000 0.240 106 P C 0.149 177.356 177.300 -0.154 0.000 1.190 106 P CA 0.670 63.575 63.100 -0.325 0.000 0.781 106 P CB 0.236 31.623 31.700 -0.522 0.000 0.931 107 W N 0.449 121.843 121.300 0.156 0.000 2.381 107 W HA -0.126 4.378 4.660 -0.260 0.000 0.321 107 W C 2.397 178.978 176.519 0.104 0.000 1.196 107 W CA 0.204 57.629 57.345 0.134 0.000 1.304 107 W CB -1.560 27.992 29.460 0.153 0.000 1.166 107 W HN -0.304 nan 8.180 nan 0.000 0.473 108 V N 1.202 121.307 119.914 0.319 0.000 2.332 108 V HA -0.319 3.652 4.120 -0.249 0.000 0.248 108 V C 1.886 178.032 176.094 0.086 0.000 1.055 108 V CA 1.752 64.112 62.300 0.100 0.000 1.038 108 V CB -0.913 30.853 31.823 -0.094 0.000 0.651 108 V HN 0.231 nan 8.190 nan 0.000 0.450 109 I N 1.068 121.719 120.570 0.133 0.000 2.546 109 I HA -0.148 3.873 4.170 -0.249 0.000 0.255 109 I C 2.352 178.583 176.117 0.190 0.000 1.163 109 I CA 1.618 63.021 61.300 0.171 0.000 1.457 109 I CB -0.357 37.760 38.000 0.195 0.000 1.092 109 I HN 0.479 nan 8.210 nan 0.000 0.434 110 S N 0.172 115.985 115.700 0.189 0.000 2.603 110 S HA 0.159 4.480 4.470 -0.249 0.000 0.220 110 S C 1.718 176.454 174.600 0.226 0.000 0.967 110 S CA 0.407 58.720 58.200 0.188 0.000 0.920 110 S CB 0.218 63.516 63.200 0.163 0.000 0.773 110 S HN 0.592 nan 8.310 nan 0.000 0.529 111 G N 1.393 110.361 108.800 0.280 0.000 2.184 111 G HA2 -0.366 3.444 3.960 -0.249 0.000 0.264 111 G HA3 -0.366 3.444 3.960 -0.249 0.000 0.264 111 G C 0.501 175.442 174.900 0.068 0.000 0.975 111 G CA 0.514 45.708 45.100 0.156 0.000 0.642 111 G HN 0.599 nan 8.290 nan 0.000 0.536 112 E N 0.241 120.546 120.200 0.176 0.000 2.478 112 E HA 0.420 4.621 4.350 -0.249 0.000 0.198 112 E C 1.069 177.757 176.600 0.146 0.000 1.046 112 E CA 0.949 57.462 56.400 0.188 0.000 0.870 112 E CB -0.084 29.820 29.700 0.341 0.000 0.818 112 E HN 1.106 nan 8.360 nan 0.000 0.527 113 A N 0.532 123.437 122.820 0.142 0.000 2.520 113 A HA 0.362 4.533 4.320 -0.249 0.000 0.298 113 A C -1.547 176.061 177.584 0.039 0.000 1.051 113 A CA -0.860 51.233 52.037 0.093 0.000 0.690 113 A CB 1.361 20.451 19.000 0.150 0.000 1.281 113 A HN 0.075 nan 8.150 nan 0.000 0.402 114 D N 2.766 123.168 120.400 0.003 0.000 2.350 114 D HA 0.453 4.944 4.640 -0.249 0.000 0.249 114 D C -2.430 173.863 176.300 -0.012 0.000 1.119 114 D CA -0.257 53.726 54.000 -0.028 0.000 0.886 114 D CB 0.837 41.620 40.800 -0.029 0.000 1.195 114 D HN 0.235 nan 8.370 nan 0.000 0.437 115 P HA 0.084 nan 4.420 nan 0.000 0.271 115 P C -2.031 175.290 177.300 0.034 0.000 1.220 115 P CA -1.146 61.886 63.100 -0.112 0.000 0.768 115 P CB 0.629 32.193 31.700 -0.226 0.000 0.848 116 P HA -0.106 nan 4.420 nan 0.000 0.217 116 P C 0.117 177.486 177.300 0.114 0.000 1.148 116 P CA 1.680 64.857 63.100 0.129 0.000 0.828 116 P CB 0.179 32.012 31.700 0.221 0.000 0.783 117 A N -1.779 121.119 122.820 0.130 0.000 2.552 117 A HA 0.750 4.921 4.320 -0.249 0.000 0.288 117 A C -1.201 176.478 177.584 0.158 0.000 1.193 117 A CA -0.367 51.749 52.037 0.131 0.000 0.713 117 A CB 1.091 20.179 19.000 0.146 0.000 1.305 117 A HN -0.075 nan 8.150 nan 0.000 0.424 118 N N 0.397 119.187 118.700 0.150 0.000 3.261 118 N HA 0.355 4.946 4.740 -0.249 0.000 0.227 118 N C -3.253 172.316 175.510 0.099 0.000 1.338 118 N CA -0.550 52.600 53.050 0.166 0.000 0.833 118 N CB 1.654 40.270 38.487 0.215 0.000 1.606 118 N HN 0.494 nan 8.380 nan 0.000 0.649 119 P HA 0.448 nan 4.420 nan 0.000 0.281 119 P C -0.688 176.768 177.300 0.259 0.000 1.249 119 P CA -0.647 62.525 63.100 0.120 0.000 0.810 119 P CB 1.191 32.963 31.700 0.121 0.000 1.008 120 L N 0.736 122.124 121.223 0.276 0.000 2.304 120 L HA 0.883 5.074 4.340 -0.249 0.000 0.268 120 L C -0.595 176.419 176.870 0.239 0.000 1.010 120 L CA -1.100 53.897 54.840 0.261 0.000 0.813 120 L CB 1.259 43.423 42.059 0.175 0.000 1.315 120 L HN 0.197 nan 8.230 nan 0.000 0.445 121 V N 2.067 122.097 119.914 0.193 0.000 2.686 121 V HA 0.713 4.684 4.120 -0.249 0.000 0.306 121 V C -1.213 174.986 176.094 0.174 0.000 1.065 121 V CA -0.292 62.071 62.300 0.106 0.000 0.894 121 V CB 1.765 33.581 31.823 -0.012 0.000 1.004 121 V HN 0.889 nan 8.190 nan 0.000 0.424 122 I N 4.410 125.088 120.570 0.179 0.000 2.865 122 I HA 0.618 4.639 4.170 -0.249 0.000 0.302 122 I C -0.535 175.636 176.117 0.091 0.000 1.140 122 I CA -0.082 61.327 61.300 0.182 0.000 1.021 122 I CB 2.568 40.724 38.000 0.261 0.000 1.233 122 I HN 0.580 nan 8.210 nan 0.000 0.427 123 S N 4.404 120.152 115.700 0.079 0.000 2.528 123 S HA 0.390 4.711 4.470 -0.249 0.000 0.303 123 S C -0.856 173.767 174.600 0.039 0.000 1.123 123 S CA -0.396 57.808 58.200 0.007 0.000 1.138 123 S CB 0.204 63.407 63.200 0.005 0.000 0.984 123 S HN 0.524 nan 8.310 nan 0.000 0.474 124 Q N 5.270 125.060 119.800 -0.016 0.000 2.368 124 Q HA 0.458 4.648 4.340 -0.249 0.000 0.256 124 Q C -2.716 173.192 176.000 -0.154 0.000 0.980 124 Q CA -2.228 53.555 55.803 -0.032 0.000 0.887 124 Q CB 1.059 29.768 28.738 -0.049 0.000 1.221 124 Q HN 0.262 nan 8.270 nan 0.000 0.458 125 P HA 0.035 nan 4.420 nan 0.000 0.260 125 P C -1.152 175.920 177.300 -0.380 0.000 1.185 125 P CA 0.441 63.317 63.100 -0.374 0.000 0.763 125 P CB 0.794 32.240 31.700 -0.424 0.000 0.776 126 S N 3.187 118.523 115.700 -0.606 0.000 2.513 126 S HA 0.613 4.933 4.470 -0.249 0.000 0.299 126 S C -0.198 174.121 174.600 -0.469 0.000 1.087 126 S CA -0.619 57.240 58.200 -0.568 0.000 1.012 126 S CB 1.009 63.724 63.200 -0.808 0.000 1.044 126 S HN 0.240 nan 8.310 nan 0.000 0.485 127 I N 2.666 123.143 120.570 -0.154 0.000 2.436 127 I HA 0.493 4.514 4.170 -0.249 0.000 0.289 127 I C -0.229 175.976 176.117 0.146 0.000 1.010 127 I CA -0.544 60.760 61.300 0.007 0.000 1.098 127 I CB 1.478 39.515 38.000 0.062 0.000 1.266 127 I HN 0.315 nan 8.210 nan 0.000 0.434 128 R N 5.393 125.999 120.500 0.177 0.000 2.468 128 R HA 0.316 4.507 4.340 -0.249 0.000 0.302 128 R C -0.384 175.954 176.300 0.063 0.000 1.041 128 R CA -0.493 55.736 56.100 0.215 0.000 0.899 128 R CB 1.360 31.849 30.300 0.316 0.000 1.167 128 R HN 0.564 nan 8.270 nan 0.000 0.483 129 F N 0.420 120.404 119.950 0.057 0.000 2.710 129 F HA -0.084 4.281 4.527 -0.271 0.000 0.298 129 F C 2.611 178.420 175.800 0.015 0.000 1.137 129 F CA 1.036 59.045 58.000 0.014 0.000 1.444 129 F CB 0.223 39.217 39.000 -0.010 0.000 1.111 129 F HN 0.456 nan 8.300 nan 0.000 0.580 130 T N -3.510 111.153 114.554 0.181 0.000 2.996 130 T HA -0.180 4.021 4.350 -0.249 0.000 0.271 130 T C 1.313 176.043 174.700 0.050 0.000 1.126 130 T CA 1.696 63.856 62.100 0.100 0.000 1.103 130 T CB -0.185 68.731 68.868 0.081 0.000 0.870 130 T HN 0.173 nan 8.240 nan 0.000 0.528 131 D N -0.564 119.855 120.400 0.032 0.000 2.500 131 D HA 0.303 4.794 4.640 -0.249 0.000 0.218 131 D C 1.679 177.941 176.300 -0.063 0.000 1.140 131 D CA -0.198 53.773 54.000 -0.050 0.000 0.830 131 D CB 0.183 40.975 40.800 -0.012 0.000 1.055 131 D HN 0.370 nan 8.370 nan 0.000 0.512 132 I N 1.453 122.004 120.570 -0.032 0.000 2.229 132 I HA -0.295 3.725 4.170 -0.249 0.000 0.250 132 I C 1.072 177.205 176.117 0.027 0.000 1.096 132 I CA 1.544 62.818 61.300 -0.044 0.000 1.358 132 I CB 0.231 38.191 38.000 -0.068 0.000 1.047 132 I HN -0.083 nan 8.210 nan 0.000 0.422 133 D N 0.017 120.449 120.400 0.054 0.000 2.371 133 D HA -0.102 4.389 4.640 -0.249 0.000 0.221 133 D C 1.266 177.589 176.300 0.037 0.000 0.986 133 D CA 0.912 54.971 54.000 0.097 0.000 0.899 133 D CB -0.222 40.649 40.800 0.120 0.000 0.902 133 D HN 0.625 nan 8.370 nan 0.000 0.530 134 N N -0.389 118.287 118.700 -0.040 0.000 2.414 134 N HA 0.008 4.599 4.740 -0.249 0.000 0.177 134 N C 0.152 175.699 175.510 0.061 0.000 1.062 134 N CA -0.120 52.900 53.050 -0.050 0.000 0.890 134 N CB 1.024 39.291 38.487 -0.366 0.000 1.070 134 N HN -0.164 nan 8.380 nan 0.000 0.454 135 V N 1.422 121.364 119.914 0.048 0.000 2.555 135 V HA 0.024 3.995 4.120 -0.249 0.000 0.299 135 V C 1.405 177.429 176.094 -0.116 0.000 1.012 135 V CA 1.429 63.733 62.300 0.006 0.000 1.180 135 V CB -0.236 31.596 31.823 0.016 0.000 0.887 135 V HN 0.675 nan 8.190 nan 0.000 0.476 136 G N 4.126 112.768 108.800 -0.265 0.000 2.349 136 G HA2 -0.252 3.559 3.960 -0.249 0.000 0.213 136 G HA3 -0.252 3.559 3.960 -0.249 0.000 0.213 136 G C 0.668 175.634 174.900 0.109 0.000 1.044 136 G CA 0.344 45.327 45.100 -0.195 0.000 0.633 136 G HN 0.562 nan 8.290 nan 0.000 0.506 137 I N 1.584 122.227 120.570 0.122 0.000 2.429 137 I HA 0.061 4.081 4.170 -0.249 0.000 0.247 137 I C 2.866 179.093 176.117 0.184 0.000 1.099 137 I CA 2.142 63.526 61.300 0.140 0.000 1.422 137 I CB -0.045 38.016 38.000 0.102 0.000 1.112 137 I HN 0.432 nan 8.210 nan 0.000 0.430 138 T N -2.571 112.121 114.554 0.231 0.000 3.081 138 T HA 0.284 4.484 4.350 -0.249 0.000 0.250 138 T C 1.627 176.446 174.700 0.198 0.000 1.100 138 T CA 0.515 62.774 62.100 0.265 0.000 1.038 138 T CB 0.618 69.723 68.868 0.395 0.000 0.962 138 T HN 0.496 nan 8.240 nan 0.000 0.516 139 G N 2.816 111.624 108.800 0.013 0.000 2.328 139 G HA2 -0.402 3.408 3.960 -0.249 0.000 0.256 139 G HA3 -0.402 3.408 3.960 -0.249 0.000 0.256 139 G C 1.071 175.329 174.900 -1.070 0.000 1.014 139 G CA 0.696 45.465 45.100 -0.551 0.000 0.620 139 G HN 0.833 nan 8.290 nan 0.000 0.530 140 R N -0.059 120.166 120.500 -0.459 0.000 2.469 140 R HA 0.343 4.533 4.340 -0.249 0.000 0.250 140 R C 0.318 176.417 176.300 -0.334 0.000 0.909 140 R CA 0.285 56.185 56.100 -0.334 0.000 1.050 140 R CB 0.203 30.545 30.300 0.069 0.000 1.256 140 R HN 0.471 nan 8.270 nan 0.000 0.550 141 H N -0.156 118.858 119.070 -0.093 0.000 2.472 141 H HA 0.462 4.867 4.556 -0.252 0.000 0.335 141 H C -1.067 174.221 175.328 -0.067 0.000 1.136 141 H CA -0.176 55.878 56.048 0.009 0.000 1.264 141 H CB 1.017 30.796 29.762 0.030 0.000 1.486 141 H HN -0.080 nan 8.280 nan 0.000 0.517 142 F N -1.009 119.026 119.950 0.142 0.000 2.654 142 F HA 0.305 4.682 4.527 -0.251 0.000 0.334 142 F C 1.284 177.157 175.800 0.122 0.000 1.078 142 F CA -0.818 57.290 58.000 0.180 0.000 0.986 142 F CB 1.502 40.610 39.000 0.181 0.000 1.362 142 F HN 0.474 nan 8.300 nan 0.000 0.498 143 T N 0.349 115.066 114.554 0.272 0.000 2.953 143 T HA 0.143 4.344 4.350 -0.249 0.000 0.247 143 T C 0.147 174.940 174.700 0.155 0.000 1.029 143 T CA 0.742 62.857 62.100 0.025 0.000 1.144 143 T CB 0.068 68.759 68.868 -0.295 0.000 0.870 143 T HN 0.266 nan 8.240 nan 0.000 0.446 144 I N 2.871 123.550 120.570 0.180 0.000 2.321 144 I HA 0.513 4.534 4.170 -0.249 0.000 0.291 144 I C -1.251 174.933 176.117 0.111 0.000 0.998 144 I CA -1.586 59.734 61.300 0.033 0.000 1.227 144 I CB 0.098 38.048 38.000 -0.084 0.000 1.368 144 I HN 0.215 nan 8.210 nan 0.000 0.466 145 F N 4.045 123.876 119.950 -0.199 0.000 2.662 145 F HA 0.667 5.057 4.527 -0.228 0.000 0.312 145 F C -1.049 174.614 175.800 -0.229 0.000 1.113 145 F CA -0.967 56.871 58.000 -0.270 0.000 0.951 145 F CB 1.108 39.959 39.000 -0.248 0.000 1.344 145 F HN 0.309 nan 8.300 nan 0.000 0.462 146 E N 2.473 122.568 120.200 -0.174 0.000 2.134 146 E HA 0.329 4.529 4.350 -0.249 0.000 0.278 146 E C -1.186 175.335 176.600 -0.133 0.000 0.959 146 E CA -0.836 55.438 56.400 -0.210 0.000 0.783 146 E CB 1.881 31.529 29.700 -0.086 0.000 1.095 146 E HN 0.721 nan 8.360 nan 0.000 0.399 147 M N 5.207 124.675 119.600 -0.221 0.000 2.063 147 M HA 0.305 4.636 4.480 -0.249 0.000 0.348 147 M C -1.048 175.159 176.300 -0.155 0.000 1.180 147 M CA -0.206 55.027 55.300 -0.112 0.000 1.059 147 M CB 0.337 32.863 32.600 -0.124 0.000 1.544 147 M HN 0.443 nan 8.290 nan 0.000 0.447 148 M N 4.372 123.810 119.600 -0.270 0.000 2.216 148 M HA 0.627 4.958 4.480 -0.249 0.000 0.356 148 M C -0.446 175.607 176.300 -0.412 0.000 1.205 148 M CA -0.300 54.647 55.300 -0.587 0.000 1.122 148 M CB 1.377 33.143 32.600 -1.391 0.000 1.571 148 M HN 0.786 nan 8.290 nan 0.000 0.464 149 A N 2.121 124.809 122.820 -0.220 0.000 2.488 149 A HA 0.621 4.791 4.320 -0.249 0.000 0.295 149 A C -1.540 175.948 177.584 -0.160 0.000 1.045 149 A CA -0.911 51.046 52.037 -0.134 0.000 0.703 149 A CB 0.734 19.676 19.000 -0.097 0.000 1.271 149 A HN 0.980 nan 8.150 nan 0.000 0.400 150 H N 0.336 119.124 119.070 -0.471 0.000 2.459 150 H HA 0.856 5.264 4.556 -0.247 0.000 0.332 150 H C -0.747 174.298 175.328 -0.473 0.000 1.094 150 H CA -0.546 55.149 56.048 -0.588 0.000 1.224 150 H CB 1.036 30.109 29.762 -1.148 0.000 1.449 150 H HN 0.589 nan 8.280 nan 0.000 0.484 151 H N 1.799 120.762 119.070 -0.179 0.000 2.717 151 H HA 0.689 5.097 4.556 -0.246 0.000 0.366 151 H C -1.146 173.870 175.328 -0.521 0.000 1.132 151 H CA -0.733 55.045 56.048 -0.449 0.000 1.180 151 H CB 2.270 31.653 29.762 -0.631 0.000 1.678 151 H HN 0.922 nan 8.280 nan 0.000 0.537 152 A N 3.246 125.648 122.820 -0.697 0.000 2.408 152 A HA 0.538 4.709 4.320 -0.249 0.000 0.295 152 A C -1.624 175.479 177.584 -0.801 0.000 1.040 152 A CA -0.649 50.957 52.037 -0.718 0.000 0.707 152 A CB 0.532 18.927 19.000 -1.010 0.000 1.235 152 A HN 0.434 nan 8.150 nan 0.000 0.418 153 F N 2.686 122.462 119.950 -0.289 0.000 2.334 153 F HA 0.329 4.703 4.527 -0.255 0.000 0.367 153 F C 0.508 175.988 175.800 -0.532 0.000 1.115 153 F CA -0.627 57.108 58.000 -0.443 0.000 1.116 153 F CB 1.379 40.093 39.000 -0.477 0.000 1.230 153 F HN 0.521 nan 8.300 nan 0.000 0.484 154 N N 4.754 123.207 118.700 -0.411 0.000 2.645 154 N HA 0.124 4.714 4.740 -0.249 0.000 0.233 154 N C -0.858 174.420 175.510 -0.385 0.000 1.058 154 N CA -0.354 52.483 53.050 -0.355 0.000 0.942 154 N CB 0.580 38.828 38.487 -0.398 0.000 1.210 154 N HN 0.456 nan 8.380 nan 0.000 0.512 155 Y N 1.249 121.523 120.300 -0.043 0.000 2.357 155 Y HA 0.212 4.611 4.550 -0.251 0.000 0.340 155 Y C -1.640 174.221 175.900 -0.065 0.000 1.260 155 Y CA -1.931 56.145 58.100 -0.041 0.000 1.425 155 Y CB -0.290 38.164 38.460 -0.009 0.000 1.326 155 Y HN 0.369 nan 8.280 nan 0.000 0.580 156 P HA 0.211 nan 4.420 nan 0.000 0.276 156 P C 0.717 178.043 177.300 0.044 0.000 1.230 156 P CA 0.954 64.070 63.100 0.026 0.000 0.776 156 P CB 1.047 32.756 31.700 0.015 0.000 0.888 157 G N 3.073 111.885 108.800 0.019 0.000 3.400 157 G HA2 -0.235 3.576 3.960 -0.249 0.000 0.209 157 G HA3 -0.235 3.576 3.960 -0.249 0.000 0.209 157 G C 0.171 175.088 174.900 0.029 0.000 1.411 157 G CA -0.147 44.966 45.100 0.023 0.000 0.917 157 G HN 0.607 nan 8.290 nan 0.000 0.570 158 K N 3.013 123.448 120.400 0.058 0.000 2.360 158 K HA 0.482 4.653 4.320 -0.249 0.000 0.235 158 K C -2.390 174.236 176.600 0.042 0.000 1.077 158 K CA -1.906 54.419 56.287 0.064 0.000 1.035 158 K CB 1.398 33.956 32.500 0.097 0.000 1.623 158 K HN 0.272 nan 8.250 nan 0.000 0.462 159 P HA 0.041 nan 4.420 nan 0.000 0.275 159 P C 0.006 177.309 177.300 0.005 0.000 1.228 159 P CA -0.262 62.818 63.100 -0.034 0.000 0.786 159 P CB 1.209 32.889 31.700 -0.034 0.000 0.927 160 I N 0.853 121.404 120.570 -0.032 0.000 3.393 160 I HA 0.171 4.191 4.170 -0.249 0.000 0.250 160 I C 0.703 176.871 176.117 0.086 0.000 1.122 160 I CA 1.002 62.301 61.300 -0.003 0.000 1.484 160 I CB -0.823 37.106 38.000 -0.119 0.000 1.468 160 I HN 0.473 nan 8.210 nan 0.000 0.461 161 Y N -2.194 118.094 120.300 -0.020 0.000 2.852 161 Y HA 0.518 4.918 4.550 -0.249 0.000 0.350 161 Y C -1.131 174.872 175.900 0.170 0.000 1.272 161 Y CA -1.930 56.160 58.100 -0.017 0.000 1.086 161 Y CB 0.999 39.284 38.460 -0.291 0.000 1.408 161 Y HN 0.155 nan 8.280 nan 0.000 0.447 162 W N 1.042 122.465 121.300 0.205 0.000 3.192 162 W HA 0.203 4.712 4.660 -0.252 0.000 0.418 162 W C 0.710 177.241 176.519 0.020 0.000 1.041 162 W CA -0.610 56.767 57.345 0.052 0.000 1.305 162 W CB 1.211 30.633 29.460 -0.063 0.000 1.437 162 W HN 0.774 nan 8.180 nan 0.000 0.638 163 M N 1.413 120.576 119.600 -0.729 0.000 2.082 163 M HA -0.244 4.087 4.480 -0.249 0.000 0.258 163 M C 1.264 177.262 176.300 -0.503 0.000 1.069 163 M CA 2.728 57.365 55.300 -1.104 0.000 1.102 163 M CB -0.511 31.211 32.600 -1.464 0.000 1.336 163 M HN 0.211 nan 8.290 nan 0.000 0.404 164 D N -0.138 120.060 120.400 -0.336 0.000 2.097 164 D HA -0.156 4.335 4.640 -0.249 0.000 0.195 164 D C 1.866 178.047 176.300 -0.198 0.000 0.989 164 D CA 1.491 55.318 54.000 -0.288 0.000 0.827 164 D CB -0.438 40.249 40.800 -0.187 0.000 0.966 164 D HN 0.409 nan 8.370 nan 0.000 0.456 165 E N 0.032 120.168 120.200 -0.106 0.000 2.110 165 E HA -0.092 4.109 4.350 -0.249 0.000 0.193 165 E C 2.132 178.621 176.600 -0.185 0.000 0.988 165 E CA 1.221 57.522 56.400 -0.165 0.000 0.804 165 E CB -0.460 29.043 29.700 -0.329 0.000 0.745 165 E HN 0.204 nan 8.360 nan 0.000 0.458 166 T N 0.646 115.198 114.554 -0.004 0.000 2.708 166 T HA -0.163 4.037 4.350 -0.249 0.000 0.266 166 T C 2.159 176.960 174.700 0.168 0.000 1.037 166 T CA 1.659 63.885 62.100 0.209 0.000 1.146 166 T CB -0.537 68.627 68.868 0.492 0.000 0.865 166 T HN 0.251 nan 8.240 nan 0.000 0.435 167 V N 0.547 120.478 119.914 0.029 0.000 2.515 167 V HA -0.098 3.873 4.120 -0.249 0.000 0.250 167 V C 2.121 178.198 176.094 -0.028 0.000 1.058 167 V CA 1.743 64.002 62.300 -0.068 0.000 1.064 167 V CB -0.750 30.709 31.823 -0.605 0.000 0.675 167 V HN 0.384 nan 8.190 nan 0.000 0.461 168 E N 0.526 120.679 120.200 -0.079 0.000 2.017 168 E HA -0.128 4.072 4.350 -0.249 0.000 0.193 168 E C 2.162 178.810 176.600 0.079 0.000 0.997 168 E CA 2.068 58.472 56.400 0.007 0.000 0.804 168 E CB -0.371 29.314 29.700 -0.024 0.000 0.757 168 E HN 0.651 nan 8.360 nan 0.000 0.448 169 L N 0.448 121.662 121.223 -0.015 0.000 2.043 169 L HA -0.280 3.910 4.340 -0.249 0.000 0.212 169 L C 2.463 179.313 176.870 -0.033 0.000 1.075 169 L CA 1.291 56.084 54.840 -0.078 0.000 0.752 169 L CB -0.540 41.370 42.059 -0.250 0.000 0.891 169 L HN 0.196 nan 8.230 nan 0.000 0.432 170 A N -0.082 122.809 122.820 0.117 0.000 1.834 170 A HA -0.299 3.872 4.320 -0.249 0.000 0.216 170 A C 2.194 179.801 177.584 0.039 0.000 1.203 170 A CA 1.943 54.060 52.037 0.134 0.000 0.621 170 A CB -1.140 18.093 19.000 0.389 0.000 0.841 170 A HN 0.378 nan 8.150 nan 0.000 0.446 171 F N 0.830 120.886 119.950 0.176 0.000 2.202 171 F HA -0.169 4.208 4.527 -0.250 0.000 0.301 171 F C 2.198 178.100 175.800 0.171 0.000 1.082 171 F CA 2.122 60.301 58.000 0.299 0.000 1.313 171 F CB -0.207 38.997 39.000 0.339 0.000 1.024 171 F HN 0.521 nan 8.300 nan 0.000 0.495 172 E N -0.321 119.949 120.200 0.116 0.000 2.012 172 E HA -0.316 3.884 4.350 -0.249 0.000 0.197 172 E C 2.314 178.829 176.600 -0.142 0.000 1.007 172 E CA 1.729 58.155 56.400 0.044 0.000 0.816 172 E CB -0.689 29.138 29.700 0.213 0.000 0.762 172 E HN 0.401 nan 8.360 nan 0.000 0.451 173 F N 0.484 120.100 119.950 -0.556 0.000 2.115 173 F HA -0.269 4.110 4.527 -0.246 0.000 0.300 173 F C 1.829 177.301 175.800 -0.547 0.000 1.092 173 F CA 1.650 59.072 58.000 -0.963 0.000 1.245 173 F CB -0.328 37.792 39.000 -1.468 0.000 0.995 173 F HN 0.091 nan 8.300 nan 0.000 0.481 174 F N 0.410 120.189 119.950 -0.285 0.000 2.186 174 F HA -0.119 4.258 4.527 -0.251 0.000 0.299 174 F C 2.755 178.286 175.800 -0.449 0.000 1.090 174 F CA 1.669 59.435 58.000 -0.390 0.000 1.307 174 F CB -1.622 37.233 39.000 -0.241 0.000 1.019 174 F HN 0.097 nan 8.300 nan 0.000 0.489 175 T N -2.785 111.605 114.554 -0.274 0.000 2.953 175 T HA 0.007 4.208 4.350 -0.249 0.000 0.247 175 T C 1.940 176.523 174.700 -0.196 0.000 1.029 175 T CA 0.629 62.558 62.100 -0.285 0.000 1.144 175 T CB -0.177 68.404 68.868 -0.478 0.000 0.870 175 T HN -0.095 nan 8.240 nan 0.000 0.446 176 K N 1.144 121.436 120.400 -0.181 0.000 2.031 176 K HA 0.070 4.241 4.320 -0.249 0.000 0.205 176 K C 2.477 178.997 176.600 -0.133 0.000 1.049 176 K CA 1.221 57.449 56.287 -0.098 0.000 0.939 176 K CB -0.016 32.486 32.500 0.004 0.000 0.717 176 K HN 0.367 nan 8.250 nan 0.000 0.438 177 E N -0.300 119.729 120.200 -0.287 0.000 2.201 177 E HA 0.070 4.271 4.350 -0.249 0.000 0.193 177 E C 1.850 178.245 176.600 -0.340 0.000 0.957 177 E CA 0.609 56.816 56.400 -0.322 0.000 0.858 177 E CB 0.134 29.504 29.700 -0.551 0.000 0.816 177 E HN 0.234 nan 8.360 nan 0.000 0.475 178 L N 0.738 121.682 121.223 -0.465 0.000 2.477 178 L HA 0.122 4.313 4.340 -0.249 0.000 0.220 178 L C -0.066 176.697 176.870 -0.178 0.000 1.106 178 L CA -0.021 54.602 54.840 -0.362 0.000 0.851 178 L CB -0.038 41.739 42.059 -0.470 0.000 0.994 178 L HN -0.106 nan 8.230 nan 0.000 0.462 179 K N 0.436 120.738 120.400 -0.162 0.000 3.239 179 K HA -0.159 4.012 4.320 -0.249 0.000 0.270 179 K C -0.310 176.241 176.600 -0.082 0.000 1.049 179 K CA 1.002 57.235 56.287 -0.091 0.000 0.769 179 K CB -2.148 30.331 32.500 -0.035 0.000 1.305 179 K HN 0.383 nan 8.250 nan 0.000 0.469 180 M N 0.525 120.040 119.600 -0.141 0.000 2.274 180 M HA 0.176 4.507 4.480 -0.249 0.000 0.344 180 M C 0.868 177.200 176.300 0.053 0.000 1.161 180 M CA -0.270 54.956 55.300 -0.124 0.000 1.126 180 M CB 1.166 33.469 32.600 -0.496 0.000 1.522 180 M HN 0.027 nan 8.290 nan 0.000 0.461 181 K N 3.509 124.055 120.400 0.242 0.000 2.336 181 K HA 0.128 4.299 4.320 -0.249 0.000 0.290 181 K C -1.947 174.809 176.600 0.260 0.000 1.067 181 K CA -1.413 54.995 56.287 0.200 0.000 0.962 181 K CB 0.659 33.245 32.500 0.144 0.000 1.008 181 K HN 0.231 nan 8.250 nan 0.000 0.467 182 P HA -0.246 nan 4.420 nan 0.000 0.217 182 P C 0.595 178.105 177.300 0.350 0.000 1.151 182 P CA 1.293 64.637 63.100 0.406 0.000 0.849 182 P CB 0.151 32.120 31.700 0.449 0.000 0.787 183 E N -0.879 119.418 120.200 0.160 0.000 2.427 183 E HA -0.129 4.071 4.350 -0.249 0.000 0.196 183 E C 0.673 177.335 176.600 0.103 0.000 1.028 183 E CA 0.959 57.401 56.400 0.071 0.000 0.864 183 E CB -0.735 28.964 29.700 -0.002 0.000 0.813 183 E HN 0.267 nan 8.360 nan 0.000 0.514 184 D N 1.496 121.958 120.400 0.102 0.000 2.183 184 D HA 0.105 4.596 4.640 -0.249 0.000 0.205 184 D C 1.041 177.391 176.300 0.084 0.000 0.962 184 D CA 0.129 54.100 54.000 -0.049 0.000 0.849 184 D CB 0.026 40.594 40.800 -0.386 0.000 0.978 184 D HN 0.201 nan 8.370 nan 0.000 0.488 185 I N 1.872 122.671 120.570 0.381 0.000 2.906 185 I HA -0.084 3.937 4.170 -0.249 0.000 0.302 185 I C 0.825 177.200 176.117 0.430 0.000 1.220 185 I CA 0.657 62.202 61.300 0.409 0.000 1.441 185 I CB 0.095 38.452 38.000 0.595 0.000 1.336 185 I HN 0.046 nan 8.210 nan 0.000 0.565 186 T N 3.063 117.766 114.554 0.247 0.000 2.883 186 T HA 0.666 4.867 4.350 -0.249 0.000 0.296 186 T C -0.847 173.925 174.700 0.119 0.000 1.117 186 T CA -0.784 61.551 62.100 0.390 0.000 1.006 186 T CB 1.827 70.921 68.868 0.376 0.000 1.191 186 T HN 0.173 nan 8.240 nan 0.000 0.508 187 F N 0.736 120.832 119.950 0.243 0.000 2.507 187 F HA 0.601 4.979 4.527 -0.249 0.000 0.328 187 F C 0.264 176.309 175.800 0.407 0.000 1.136 187 F CA -0.878 57.231 58.000 0.181 0.000 0.930 187 F CB 2.292 41.152 39.000 -0.234 0.000 1.166 187 F HN 0.585 nan 8.300 nan 0.000 0.436 188 K N 2.986 123.714 120.400 0.547 0.000 2.182 188 K HA 0.371 4.542 4.320 -0.249 0.000 0.262 188 K C -0.614 176.312 176.600 0.544 0.000 0.957 188 K CA -0.534 56.045 56.287 0.487 0.000 0.842 188 K CB 1.059 33.727 32.500 0.280 0.000 1.099 188 K HN 0.665 nan 8.250 nan 0.000 0.438 189 E N 2.918 123.405 120.200 0.479 0.000 2.105 189 E HA 0.101 4.302 4.350 -0.249 0.000 0.285 189 E C -1.010 175.733 176.600 0.239 0.000 1.055 189 E CA -0.330 56.297 56.400 0.378 0.000 0.843 189 E CB 0.752 30.672 29.700 0.366 0.000 1.067 189 E HN 0.323 nan 8.360 nan 0.000 0.398 190 N N 3.838 122.648 118.700 0.184 0.000 2.542 190 N HA 0.239 4.830 4.740 -0.249 0.000 0.288 190 N C -2.902 172.698 175.510 0.150 0.000 1.115 190 N CA -1.893 51.256 53.050 0.165 0.000 0.924 190 N CB 1.550 40.138 38.487 0.169 0.000 1.526 190 N HN 0.092 nan 8.380 nan 0.000 0.515 191 P HA 0.071 nan 4.420 nan 0.000 0.266 191 P C -1.101 176.313 177.300 0.189 0.000 1.193 191 P CA 0.303 63.497 63.100 0.158 0.000 0.770 191 P CB 0.348 32.169 31.700 0.201 0.000 0.836 192 W N 2.441 123.703 121.300 -0.063 0.000 2.884 192 W HA 0.610 5.110 4.660 -0.267 0.000 0.336 192 W C -1.422 175.041 176.519 -0.092 0.000 1.038 192 W CA -0.422 56.887 57.345 -0.060 0.000 1.247 192 W CB 1.273 30.688 29.460 -0.075 0.000 1.351 192 W HN 0.431 nan 8.180 nan 0.000 0.446 193 A N 3.629 126.222 122.820 -0.378 0.000 2.325 193 A HA 0.998 5.169 4.320 -0.249 0.000 0.333 193 A C -0.255 176.823 177.584 -0.844 0.000 1.155 193 A CA -0.316 51.488 52.037 -0.389 0.000 0.814 193 A CB 1.388 20.274 19.000 -0.189 0.000 1.206 193 A HN 1.245 nan 8.150 nan 0.000 0.482 194 G N -0.851 107.707 108.800 -0.403 0.000 2.476 194 G HA2 0.551 4.362 3.960 -0.249 0.000 0.309 194 G HA3 0.551 4.362 3.960 -0.249 0.000 0.309 194 G C 0.521 175.466 174.900 0.075 0.000 1.575 194 G CA 0.612 45.506 45.100 -0.342 0.000 0.913 194 G HN 2.289 nan 8.290 nan 0.000 0.623 195 G N -0.158 108.677 108.800 0.058 0.000 2.196 195 G HA2 0.259 4.069 3.960 -0.249 0.000 0.268 195 G HA3 0.259 4.069 3.960 -0.249 0.000 0.268 195 G C 1.682 176.639 174.900 0.094 0.000 0.975 195 G CA 1.603 46.755 45.100 0.087 0.000 0.648 195 G HN 2.855 nan 8.290 nan 0.000 0.538 196 G N -1.790 107.095 108.800 0.142 0.000 2.183 196 G HA2 -0.081 3.730 3.960 -0.249 0.000 0.168 196 G HA3 -0.081 3.730 3.960 -0.249 0.000 0.168 196 G C -0.281 174.779 174.900 0.267 0.000 1.008 196 G CA 0.413 45.629 45.100 0.192 0.000 0.677 196 G HN 1.279 nan 8.290 nan 0.000 0.498 197 N N -0.286 118.527 118.700 0.188 0.000 2.277 197 N HA 0.798 5.389 4.740 -0.249 0.000 0.286 197 N C -0.173 175.267 175.510 -0.116 0.000 1.140 197 N CA -0.012 53.086 53.050 0.080 0.000 0.799 197 N CB 2.160 40.733 38.487 0.144 0.000 1.596 197 N HN 0.676 nan 8.380 nan 0.000 0.473 198 A N 0.357 122.997 122.820 -0.300 0.000 2.524 198 A HA 1.023 5.194 4.320 -0.249 0.000 0.286 198 A C -0.608 176.990 177.584 0.024 0.000 1.203 198 A CA -0.366 51.503 52.037 -0.279 0.000 0.736 198 A CB 1.503 20.005 19.000 -0.830 0.000 1.322 198 A HN 0.819 nan 8.150 nan 0.000 0.424 199 G N -1.419 107.379 108.800 -0.004 0.000 2.325 199 G HA2 0.531 4.342 3.960 -0.249 0.000 0.297 199 G HA3 0.531 4.342 3.960 -0.249 0.000 0.297 199 G C -3.650 171.133 174.900 -0.195 0.000 1.448 199 G CA -0.581 44.519 45.100 -0.000 0.000 0.838 199 G HN 0.582 nan 8.290 nan 0.000 0.579 200 P HA 0.597 nan 4.420 nan 0.000 0.274 200 P C -0.293 176.895 177.300 -0.186 0.000 1.237 200 P CA 0.008 62.905 63.100 -0.338 0.000 0.793 200 P CB 1.617 33.031 31.700 -0.477 0.000 0.977 201 A N 0.947 123.661 122.820 -0.176 0.000 2.604 201 A HA 0.697 4.867 4.320 -0.249 0.000 0.295 201 A C -1.684 175.787 177.584 -0.188 0.000 1.067 201 A CA -0.410 51.483 52.037 -0.240 0.000 0.683 201 A CB 0.689 19.595 19.000 -0.157 0.000 1.281 201 A HN 0.272 nan 8.150 nan 0.000 0.407 202 F N 0.770 120.786 119.950 0.111 0.000 2.421 202 F HA 0.475 4.853 4.527 -0.249 0.000 0.337 202 F C 0.678 176.540 175.800 0.104 0.000 1.105 202 F CA -0.189 57.945 58.000 0.224 0.000 1.049 202 F CB 1.889 41.146 39.000 0.428 0.000 1.139 202 F HN 0.564 nan 8.300 nan 0.000 0.479 203 E N 2.332 122.725 120.200 0.322 0.000 2.046 203 E HA 0.336 4.537 4.350 -0.249 0.000 0.279 203 E C -1.019 175.624 176.600 0.071 0.000 0.989 203 E CA -0.551 55.937 56.400 0.146 0.000 0.798 203 E CB 1.318 31.097 29.700 0.132 0.000 1.086 203 E HN 0.275 nan 8.360 nan 0.000 0.399 204 V N 5.668 125.542 119.914 -0.066 0.000 2.439 204 V HA 0.152 4.123 4.120 -0.249 0.000 0.271 204 V C 0.066 176.046 176.094 -0.191 0.000 1.040 204 V CA -0.137 62.001 62.300 -0.270 0.000 1.002 204 V CB -0.115 31.506 31.823 -0.336 0.000 1.000 204 V HN 0.514 nan 8.190 nan 0.000 0.477 205 L N 5.725 126.861 121.223 -0.145 0.000 2.346 205 L HA 0.644 4.835 4.340 -0.249 0.000 0.274 205 L C -0.942 175.915 176.870 -0.021 0.000 1.007 205 L CA -0.663 54.136 54.840 -0.070 0.000 0.818 205 L CB 1.816 43.858 42.059 -0.029 0.000 1.284 205 L HN 0.646 nan 8.230 nan 0.000 0.424 206 Y N 3.052 123.234 120.300 -0.198 0.000 2.298 206 Y HA 0.358 4.759 4.550 -0.249 0.000 0.322 206 Y C -0.251 175.532 175.900 -0.195 0.000 1.138 206 Y CA -0.913 57.064 58.100 -0.204 0.000 1.127 206 Y CB 0.904 39.172 38.460 -0.319 0.000 1.178 206 Y HN 0.563 nan 8.280 nan 0.000 0.428 207 R N 4.092 124.350 120.500 -0.403 0.000 3.516 207 R HA -0.219 3.972 4.340 -0.249 0.000 0.271 207 R C 0.988 177.297 176.300 0.016 0.000 1.098 207 R CA 1.242 57.204 56.100 -0.229 0.000 0.732 207 R CB -2.047 28.099 30.300 -0.257 0.000 1.152 207 R HN 1.682 nan 8.270 nan 0.000 0.455 208 G N -1.021 107.777 108.800 -0.002 0.000 2.212 208 G HA2 -0.355 3.456 3.960 -0.249 0.000 0.266 208 G HA3 -0.355 3.456 3.960 -0.249 0.000 0.266 208 G C -0.009 174.986 174.900 0.159 0.000 0.978 208 G CA 0.344 45.483 45.100 0.066 0.000 0.632 208 G HN 0.338 nan 8.290 nan 0.000 0.537 209 L N 1.517 122.807 121.223 0.112 0.000 2.265 209 L HA 0.721 4.912 4.340 -0.249 0.000 0.289 209 L C 0.398 177.251 176.870 -0.028 0.000 1.033 209 L CA -1.243 53.635 54.840 0.064 0.000 0.814 209 L CB 1.162 43.095 42.059 -0.209 0.000 1.203 209 L HN 0.341 nan 8.230 nan 0.000 0.423 210 E N 3.507 123.708 120.200 0.003 0.000 2.299 210 E HA 0.236 4.437 4.350 -0.249 0.000 0.272 210 E C 0.312 176.871 176.600 -0.069 0.000 1.043 210 E CA 0.110 56.488 56.400 -0.037 0.000 0.895 210 E CB 0.876 30.573 29.700 -0.004 0.000 1.011 210 E HN 0.571 nan 8.360 nan 0.000 0.432 211 V N 1.383 121.222 119.914 -0.125 0.000 3.612 211 V HA 0.644 4.615 4.120 -0.249 0.000 0.268 211 V C 0.461 176.502 176.094 -0.088 0.000 1.365 211 V CA 0.349 62.572 62.300 -0.129 0.000 1.044 211 V CB -0.255 31.418 31.823 -0.250 0.000 0.820 211 V HN 0.664 nan 8.190 nan 0.000 0.444 212 A N -0.517 122.217 122.820 -0.145 0.000 2.601 212 A HA 0.795 4.966 4.320 -0.249 0.000 0.291 212 A C -0.642 176.793 177.584 -0.249 0.000 1.075 212 A CA -0.103 51.771 52.037 -0.272 0.000 0.671 212 A CB 1.434 20.119 19.000 -0.524 0.000 1.277 212 A HN 0.205 nan 8.150 nan 0.000 0.417 213 T N 1.177 115.530 114.554 -0.336 0.000 2.971 213 T HA 0.595 4.795 4.350 -0.249 0.000 0.304 213 T C -1.103 173.364 174.700 -0.387 0.000 1.038 213 T CA -0.254 61.688 62.100 -0.263 0.000 1.007 213 T CB 0.883 69.605 68.868 -0.244 0.000 1.055 213 T HN 0.542 nan 8.240 nan 0.000 0.451 214 L N 2.948 123.994 121.223 -0.294 0.000 2.325 214 L HA 0.787 4.977 4.340 -0.249 0.000 0.281 214 L C -0.744 175.654 176.870 -0.786 0.000 1.004 214 L CA -1.075 53.489 54.840 -0.460 0.000 0.823 214 L CB 1.585 43.571 42.059 -0.122 0.000 1.236 214 L HN 0.336 nan 8.230 nan 0.000 0.415 215 V N 2.888 122.184 119.914 -1.029 0.000 2.531 215 V HA 0.426 4.396 4.120 -0.249 0.000 0.301 215 V C -0.646 174.799 176.094 -1.081 0.000 1.034 215 V CA -0.416 61.334 62.300 -0.916 0.000 0.865 215 V CB 1.756 33.197 31.823 -0.637 0.000 0.995 215 V HN 0.419 nan 8.190 nan 0.000 0.424 216 F N 4.009 123.769 119.950 -0.318 0.000 2.300 216 F HA 0.525 4.905 4.527 -0.244 0.000 0.364 216 F C 0.521 176.285 175.800 -0.059 0.000 1.090 216 F CA -0.457 57.313 58.000 -0.383 0.000 1.200 216 F CB 0.684 39.158 39.000 -0.877 0.000 1.493 216 F HN 0.276 nan 8.300 nan 0.000 0.518 217 M N 3.837 123.518 119.600 0.135 0.000 2.219 217 M HA 0.146 4.477 4.480 -0.249 0.000 0.353 217 M C 0.429 176.846 176.300 0.194 0.000 1.304 217 M CA 0.609 56.000 55.300 0.151 0.000 1.115 217 M CB 0.719 33.380 32.600 0.102 0.000 1.664 217 M HN 0.617 nan 8.290 nan 0.000 0.459 218 Q N 2.505 122.344 119.800 0.065 0.000 1.986 218 Q HA 0.259 4.449 4.340 -0.249 0.000 0.225 218 Q C -1.418 174.275 176.000 -0.512 0.000 0.836 218 Q CA -0.212 55.473 55.803 -0.197 0.000 1.008 218 Q CB 0.261 28.863 28.738 -0.227 0.000 1.253 218 Q HN 0.658 nan 8.270 nan 0.000 0.415 219 Y N 1.365 121.684 120.300 0.030 0.000 2.553 219 Y HA 0.559 4.958 4.550 -0.251 0.000 0.347 219 Y C -0.462 175.487 175.900 0.083 0.000 1.019 219 Y CA -0.907 57.221 58.100 0.047 0.000 1.032 219 Y CB 2.194 40.633 38.460 -0.036 0.000 1.284 219 Y HN 0.041 nan 8.280 nan 0.000 0.466 220 K N 0.285 120.921 120.400 0.394 0.000 2.512 220 K HA 0.636 4.806 4.320 -0.249 0.000 0.263 220 K C -1.642 175.249 176.600 0.484 0.000 0.966 220 K CA -1.386 55.129 56.287 0.379 0.000 0.851 220 K CB 2.402 35.027 32.500 0.209 0.000 1.395 220 K HN 0.424 nan 8.250 nan 0.000 0.440 221 K N 0.629 121.232 120.400 0.338 0.000 2.276 221 K HA 0.337 4.508 4.320 -0.249 0.000 0.259 221 K C 0.349 176.951 176.600 0.003 0.000 1.001 221 K CA 1.340 57.654 56.287 0.045 0.000 0.927 221 K CB 0.627 33.121 32.500 -0.009 0.000 0.969 221 K HN 0.867 nan 8.250 nan 0.000 0.490 222 A N 1.205 123.966 122.820 -0.098 0.000 5.295 222 A HA -0.238 3.933 4.320 -0.249 0.000 0.313 222 A C -2.159 175.426 177.584 0.002 0.000 1.912 222 A CA 0.928 52.932 52.037 -0.055 0.000 0.714 222 A CB -2.874 16.098 19.000 -0.047 0.000 1.319 222 A HN 0.699 nan 8.150 nan 0.000 0.375 229 D N -0.085 120.337 120.400 0.037 0.000 2.837 229 D HA 0.184 4.675 4.640 -0.249 0.000 0.340 229 D C -0.496 175.836 176.300 0.053 0.000 1.451 229 D CA 0.076 54.100 54.000 0.039 0.000 0.798 229 D CB 0.663 41.481 40.800 0.030 0.000 1.169 229 D HN 0.243 nan 8.370 nan 0.000 0.449 230 Q N 0.170 120.010 119.800 0.067 0.000 2.225 230 Q HA 0.177 4.367 4.340 -0.249 0.000 0.222 230 Q C 0.442 176.517 176.000 0.124 0.000 0.887 230 Q CA -0.082 55.776 55.803 0.091 0.000 0.958 230 Q CB 0.266 29.058 28.738 0.089 0.000 1.058 230 Q HN 0.327 nan 8.270 nan 0.000 0.459 231 V N -1.866 118.109 119.914 0.101 0.000 2.532 231 V HA 0.816 4.787 4.120 -0.249 0.000 0.295 231 V C 0.138 176.291 176.094 0.099 0.000 1.041 231 V CA -1.135 61.230 62.300 0.110 0.000 0.926 231 V CB 1.752 33.613 31.823 0.063 0.000 0.992 231 V HN -0.016 nan 8.190 nan 0.000 0.457 232 V N 2.956 122.939 119.914 0.114 0.000 2.656 232 V HA 0.827 4.798 4.120 -0.249 0.000 0.307 232 V C -0.071 176.057 176.094 0.056 0.000 1.051 232 V CA -0.499 61.838 62.300 0.061 0.000 0.893 232 V CB 1.467 33.315 31.823 0.041 0.000 0.999 232 V HN 1.610 nan 8.190 nan 0.000 0.426 233 V N 6.094 126.023 119.914 0.025 0.000 2.546 233 V HA 0.817 4.788 4.120 -0.249 0.000 0.284 233 V C -0.482 175.649 176.094 0.061 0.000 1.050 233 V CA 0.117 62.440 62.300 0.037 0.000 0.981 233 V CB 0.955 32.780 31.823 0.003 0.000 0.990 233 V HN 1.043 nan 8.190 nan 0.000 0.474 234 I N 4.685 125.338 120.570 0.140 0.000 2.775 234 I HA 0.441 4.462 4.170 -0.249 0.000 0.295 234 I C 0.115 176.313 176.117 0.135 0.000 1.287 234 I CA -0.398 60.971 61.300 0.115 0.000 1.029 234 I CB 1.888 39.955 38.000 0.112 0.000 1.282 234 I HN 0.898 nan 8.210 nan 0.000 0.426 235 K N 4.580 125.019 120.400 0.063 0.000 3.077 235 K HA -0.254 3.916 4.320 -0.249 0.000 0.264 235 K C 0.849 177.464 176.600 0.026 0.000 1.008 235 K CA 0.949 57.253 56.287 0.027 0.000 0.740 235 K CB -1.377 31.117 32.500 -0.011 0.000 1.273 235 K HN 1.411 nan 8.250 nan 0.000 0.477 236 G N -0.330 108.482 108.800 0.020 0.000 3.879 236 G HA2 -0.502 3.309 3.960 -0.249 0.000 0.318 236 G HA3 -0.502 3.309 3.960 -0.249 0.000 0.318 236 G C 0.655 175.540 174.900 -0.024 0.000 1.344 236 G CA 1.024 46.120 45.100 -0.006 0.000 1.024 236 G HN 0.498 nan 8.290 nan 0.000 0.681 237 E N -0.054 120.109 120.200 -0.060 0.000 2.804 237 E HA -0.378 3.822 4.350 -0.249 0.000 0.249 237 E C 0.741 177.143 176.600 -0.331 0.000 1.029 237 E CA 2.218 58.505 56.400 -0.188 0.000 1.625 237 E CB -0.292 29.285 29.700 -0.205 0.000 1.500 237 E HN 0.929 nan 8.360 nan 0.000 0.428 238 K N -1.600 118.622 120.400 -0.297 0.000 5.562 238 K HA -0.132 4.038 4.320 -0.249 0.000 0.886 238 K C -1.717 174.606 176.600 -0.462 0.000 2.047 238 K CA 0.373 56.511 56.287 -0.249 0.000 1.538 238 K CB -0.740 31.664 32.500 -0.161 0.000 2.666 238 K HN 0.220 nan 8.250 nan 0.000 0.211 239 Y N 2.544 122.862 120.300 0.029 0.000 2.602 239 Y HA 0.717 5.116 4.550 -0.253 0.000 0.342 239 Y C 0.653 176.659 175.900 0.176 0.000 1.029 239 Y CA -1.103 57.057 58.100 0.099 0.000 1.080 239 Y CB 1.415 39.938 38.460 0.104 0.000 1.284 239 Y HN 0.407 nan 8.280 nan 0.000 0.485 240 I N -1.006 119.812 120.570 0.414 0.000 2.846 240 I HA 0.730 4.751 4.170 -0.249 0.000 0.307 240 I C -3.026 173.314 176.117 0.372 0.000 1.053 240 I CA -3.085 58.426 61.300 0.352 0.000 1.050 240 I CB 2.216 40.333 38.000 0.195 0.000 1.239 240 I HN 0.207 nan 8.210 nan 0.000 0.439 241 P HA 0.221 nan 4.420 nan 0.000 0.269 241 P C -0.913 176.368 177.300 -0.032 0.000 1.209 241 P CA 0.135 63.194 63.100 -0.068 0.000 0.776 241 P CB 0.501 32.174 31.700 -0.045 0.000 0.876 242 M N 1.857 121.391 119.600 -0.111 0.000 2.478 242 M HA 0.200 4.531 4.480 -0.249 0.000 0.327 242 M C 1.486 177.747 176.300 -0.065 0.000 1.187 242 M CA -0.420 54.856 55.300 -0.041 0.000 1.022 242 M CB 1.448 34.031 32.600 -0.030 0.000 1.629 242 M HN 0.405 nan 8.290 nan 0.000 0.461 243 E N 0.628 120.815 120.200 -0.021 0.000 2.047 243 E HA -0.050 4.151 4.350 -0.249 0.000 0.191 243 E C 0.175 176.736 176.600 -0.065 0.000 0.987 243 E CA 1.084 57.467 56.400 -0.029 0.000 0.799 243 E CB -0.161 29.549 29.700 0.017 0.000 0.752 243 E HN 0.693 nan 8.360 nan 0.000 0.449 244 T N 1.987 116.517 114.554 -0.040 0.000 2.926 244 T HA 0.149 4.350 4.350 -0.249 0.000 0.307 244 T C 0.195 174.776 174.700 -0.198 0.000 1.059 244 T CA 0.265 62.291 62.100 -0.123 0.000 1.122 244 T CB 0.909 69.730 68.868 -0.079 0.000 0.972 244 T HN -0.055 nan 8.240 nan 0.000 0.545 245 K N 1.599 121.798 120.400 -0.335 0.000 2.463 245 K HA 0.583 4.754 4.320 -0.249 0.000 0.255 245 K C -1.406 175.007 176.600 -0.311 0.000 0.942 245 K CA -0.725 55.290 56.287 -0.454 0.000 0.814 245 K CB 2.126 33.997 32.500 -1.048 0.000 1.122 245 K HN 0.302 nan 8.250 nan 0.000 0.425 246 V N 3.204 123.139 119.914 0.036 0.000 2.487 246 V HA 0.218 4.188 4.120 -0.249 0.000 0.298 246 V C -0.183 176.011 176.094 0.165 0.000 1.028 246 V CA -1.037 61.276 62.300 0.022 0.000 0.860 246 V CB 1.920 33.735 31.823 -0.013 0.000 0.991 246 V HN 0.465 nan 8.190 nan 0.000 0.427 247 V N 4.370 124.279 119.914 -0.009 0.000 2.387 247 V HA 0.198 4.169 4.120 -0.249 0.000 0.260 247 V C -0.056 175.825 176.094 -0.356 0.000 1.054 247 V CA 0.085 62.305 62.300 -0.134 0.000 0.967 247 V CB 0.963 32.702 31.823 -0.140 0.000 1.036 247 V HN 1.017 nan 8.190 nan 0.000 0.481 248 D N 4.307 124.459 120.400 -0.413 0.000 2.408 248 D HA 0.619 5.110 4.640 -0.249 0.000 0.243 248 D C -0.100 175.802 176.300 -0.663 0.000 1.075 248 D CA -0.241 53.486 54.000 -0.455 0.000 0.832 248 D CB 1.910 42.560 40.800 -0.250 0.000 1.162 248 D HN 0.596 nan 8.370 nan 0.000 0.515 249 T N 0.221 114.303 114.554 -0.787 0.000 2.901 249 T HA 0.869 5.070 4.350 -0.249 0.000 0.293 249 T C -0.033 174.390 174.700 -0.461 0.000 1.084 249 T CA -1.022 60.688 62.100 -0.652 0.000 1.008 249 T CB 1.772 70.216 68.868 -0.708 0.000 1.170 249 T HN 0.548 nan 8.240 nan 0.000 0.509 250 G N 0.499 109.064 108.800 -0.391 0.000 2.684 250 G HA2 0.559 4.370 3.960 -0.249 0.000 0.289 250 G HA3 0.559 4.370 3.960 -0.249 0.000 0.289 250 G C -2.001 172.770 174.900 -0.215 0.000 1.416 250 G CA -0.710 44.268 45.100 -0.204 0.000 1.235 250 G HN 0.676 nan 8.290 nan 0.000 0.576 251 Y N 1.115 121.319 120.300 -0.160 0.000 2.326 251 Y HA 0.486 4.884 4.550 -0.253 0.000 0.331 251 Y C 1.008 176.856 175.900 -0.088 0.000 0.962 251 Y CA -0.766 57.273 58.100 -0.100 0.000 1.167 251 Y CB 2.490 40.837 38.460 -0.188 0.000 1.148 251 Y HN 0.713 nan 8.280 nan 0.000 0.463 252 G N 4.077 112.934 108.800 0.095 0.000 2.469 252 G HA2 0.090 3.901 3.960 -0.249 0.000 0.293 252 G HA3 0.090 3.901 3.960 -0.249 0.000 0.293 252 G C 0.862 175.794 174.900 0.053 0.000 0.982 252 G CA -0.195 44.950 45.100 0.075 0.000 1.401 252 G HN 0.718 nan 8.290 nan 0.000 0.453 253 L N 3.163 124.400 121.223 0.024 0.000 1.944 253 L HA -0.112 4.079 4.340 -0.249 0.000 0.218 253 L C 2.527 179.403 176.870 0.011 0.000 1.075 253 L CA 2.200 57.037 54.840 -0.005 0.000 0.767 253 L CB -0.842 41.198 42.059 -0.031 0.000 0.890 253 L HN 0.540 nan 8.230 nan 0.000 0.434 254 E N -0.363 119.810 120.200 -0.044 0.000 2.130 254 E HA -0.217 3.983 4.350 -0.249 0.000 0.196 254 E C 2.330 178.974 176.600 0.074 0.000 0.998 254 E CA 1.556 57.920 56.400 -0.060 0.000 0.806 254 E CB -0.287 29.180 29.700 -0.389 0.000 0.738 254 E HN 0.435 nan 8.360 nan 0.000 0.459 255 R N -0.088 120.451 120.500 0.066 0.000 2.092 255 R HA -0.038 4.153 4.340 -0.249 0.000 0.231 255 R C 2.362 178.696 176.300 0.057 0.000 1.119 255 R CA 0.984 57.165 56.100 0.134 0.000 0.970 255 R CB -0.343 29.994 30.300 0.063 0.000 0.864 255 R HN 0.199 nan 8.270 nan 0.000 0.440 256 L N 0.024 121.259 121.223 0.021 0.000 2.056 256 L HA -0.163 4.028 4.340 -0.249 0.000 0.207 256 L C 2.327 179.197 176.870 0.000 0.000 1.078 256 L CA 0.971 55.793 54.840 -0.030 0.000 0.749 256 L CB -0.370 41.708 42.059 0.031 0.000 0.901 256 L HN 0.013 nan 8.230 nan 0.000 0.433 257 V N -1.311 118.651 119.914 0.079 0.000 2.490 257 V HA -0.275 3.696 4.120 -0.249 0.000 0.250 257 V C 2.005 178.237 176.094 0.231 0.000 1.061 257 V CA 1.673 64.061 62.300 0.147 0.000 1.064 257 V CB -0.662 31.253 31.823 0.153 0.000 0.670 257 V HN 0.649 nan 8.190 nan 0.000 0.461 258 W N 0.478 121.791 121.300 0.020 0.000 2.409 258 W HA -0.126 4.384 4.660 -0.249 0.000 0.299 258 W C 2.211 178.775 176.519 0.075 0.000 1.203 258 W CA 1.634 59.012 57.345 0.054 0.000 1.298 258 W CB -0.507 28.976 29.460 0.038 0.000 1.127 258 W HN 0.288 nan 8.180 nan 0.000 0.528 259 M N 1.381 120.909 119.600 -0.120 0.000 2.267 259 M HA -0.155 4.176 4.480 -0.249 0.000 0.263 259 M C 1.972 178.197 176.300 -0.124 0.000 1.063 259 M CA 2.299 57.350 55.300 -0.414 0.000 1.090 259 M CB -0.939 31.362 32.600 -0.499 0.000 1.392 259 M HN 0.093 nan 8.290 nan 0.000 0.422 260 S N -1.882 113.828 115.700 0.016 0.000 2.710 260 S HA 0.130 4.451 4.470 -0.249 0.000 0.224 260 S C 1.372 176.064 174.600 0.154 0.000 0.948 260 S CA 0.370 58.640 58.200 0.115 0.000 0.949 260 S CB 0.106 63.444 63.200 0.231 0.000 0.778 260 S HN 0.670 nan 8.310 nan 0.000 0.498 261 Q N -0.075 119.820 119.800 0.158 0.000 2.485 261 Q HA 0.360 4.550 4.340 -0.249 0.000 0.228 261 Q C 1.253 177.362 176.000 0.182 0.000 0.763 261 Q CA 0.823 56.739 55.803 0.187 0.000 0.959 261 Q CB 0.234 29.123 28.738 0.252 0.000 1.314 261 Q HN 0.657 nan 8.270 nan 0.000 0.508 262 G N 1.466 110.387 108.800 0.201 0.000 2.155 262 G HA2 -0.329 3.482 3.960 -0.249 0.000 0.257 262 G HA3 -0.329 3.482 3.960 -0.249 0.000 0.257 262 G C 0.335 175.320 174.900 0.141 0.000 0.983 262 G CA 0.665 45.845 45.100 0.134 0.000 0.676 262 G HN 0.573 nan 8.290 nan 0.000 0.528 263 T N -1.495 113.226 114.554 0.278 0.000 2.795 263 T HA 0.471 4.672 4.350 -0.249 0.000 0.314 263 T C -0.288 174.580 174.700 0.280 0.000 1.069 263 T CA -0.346 61.894 62.100 0.233 0.000 1.071 263 T CB 1.474 70.472 68.868 0.217 0.000 0.988 263 T HN 0.049 nan 8.240 nan 0.000 0.543 264 P HA 0.014 nan 4.420 nan 0.000 0.220 264 P C 0.729 178.034 177.300 0.008 0.000 1.148 264 P CA 1.133 64.274 63.100 0.069 0.000 0.803 264 P CB -0.214 31.492 31.700 0.010 0.000 0.782 265 T N -6.159 108.252 114.554 -0.239 0.000 2.883 265 T HA 0.680 4.881 4.350 -0.249 0.000 0.301 265 T C 0.983 174.802 174.700 -1.469 0.000 1.158 265 T CA -0.251 61.287 62.100 -0.936 0.000 1.007 265 T CB 1.687 70.046 68.868 -0.848 0.000 1.186 265 T HN -0.081 nan 8.240 nan 0.000 0.499 266 A N 0.486 121.938 122.820 -2.280 0.000 1.972 266 A HA 0.037 4.207 4.320 -0.249 0.000 0.219 266 A C 1.717 178.979 177.584 -0.537 0.000 1.169 266 A CA 1.310 52.559 52.037 -1.314 0.000 0.635 266 A CB -1.296 17.210 19.000 -0.824 0.000 0.810 266 A HN 0.903 nan 8.150 nan 0.000 0.446 267 Y N 0.648 120.626 120.300 -0.536 0.000 2.274 267 Y HA -0.161 4.238 4.550 -0.252 0.000 0.290 267 Y C 2.027 177.821 175.900 -0.178 0.000 1.145 267 Y CA 0.845 58.728 58.100 -0.362 0.000 1.203 267 Y CB -0.626 37.387 38.460 -0.746 0.000 0.984 267 Y HN 0.298 nan 8.280 nan 0.000 0.533 268 D N -0.114 120.212 120.400 -0.123 0.000 2.219 268 D HA -0.090 4.401 4.640 -0.249 0.000 0.205 268 D C 2.119 178.472 176.300 0.087 0.000 0.970 268 D CA 1.302 55.329 54.000 0.045 0.000 0.851 268 D CB -0.100 40.728 40.800 0.047 0.000 0.943 268 D HN 0.429 nan 8.370 nan 0.000 0.488 269 A N 0.526 123.379 122.820 0.055 0.000 1.984 269 A HA -0.005 4.165 4.320 -0.249 0.000 0.214 269 A C 2.216 179.912 177.584 0.187 0.000 1.173 269 A CA 0.904 53.027 52.037 0.144 0.000 0.673 269 A CB 0.010 19.126 19.000 0.193 0.000 0.830 269 A HN 0.209 nan 8.150 nan 0.000 0.453 270 V N -4.485 115.553 119.914 0.208 0.000 3.661 270 V HA 0.406 4.377 4.120 -0.249 0.000 0.271 270 V C 1.072 177.408 176.094 0.405 0.000 1.315 270 V CA 0.480 62.947 62.300 0.278 0.000 1.072 270 V CB -0.063 31.888 31.823 0.214 0.000 0.830 270 V HN 0.280 nan 8.190 nan 0.000 0.443 271 L N 0.533 121.933 121.223 0.296 0.000 3.298 271 L HA 0.491 4.682 4.340 -0.249 0.000 0.296 271 L C 2.172 179.016 176.870 -0.043 0.000 1.237 271 L CA 0.481 55.376 54.840 0.093 0.000 1.038 271 L CB 0.403 42.548 42.059 0.144 0.000 1.423 271 L HN 0.310 nan 8.230 nan 0.000 0.605 272 G N 1.105 109.994 108.800 0.147 0.000 2.503 272 G HA2 -0.358 3.453 3.960 -0.249 0.000 0.221 272 G HA3 -0.358 3.453 3.960 -0.249 0.000 0.221 272 G C 1.300 176.261 174.900 0.102 0.000 1.131 272 G CA 1.499 46.680 45.100 0.136 0.000 0.756 272 G HN 0.648 nan 8.290 nan 0.000 0.572 273 Y N 0.044 120.401 120.300 0.094 0.000 2.569 273 Y HA 0.170 4.569 4.550 -0.252 0.000 0.293 273 Y C 1.908 177.815 175.900 0.012 0.000 1.144 273 Y CA 0.802 58.937 58.100 0.058 0.000 1.321 273 Y CB -0.296 38.206 38.460 0.069 0.000 0.982 273 Y HN 0.075 nan 8.280 nan 0.000 0.558 274 V N -1.997 117.653 119.914 -0.440 0.000 2.996 274 V HA -0.027 3.944 4.120 -0.249 0.000 0.235 274 V C 2.102 178.092 176.094 -0.174 0.000 1.205 274 V CA 0.588 62.659 62.300 -0.382 0.000 1.225 274 V CB -0.261 31.212 31.823 -0.583 0.000 0.995 274 V HN 0.212 nan 8.190 nan 0.000 0.484 275 V N 0.524 120.372 119.914 -0.110 0.000 2.295 275 V HA -0.178 3.793 4.120 -0.249 0.000 0.246 275 V C 2.767 178.850 176.094 -0.019 0.000 1.049 275 V CA 2.104 64.394 62.300 -0.016 0.000 1.024 275 V CB -0.496 31.406 31.823 0.132 0.000 0.648 275 V HN 0.512 nan 8.190 nan 0.000 0.447 276 E N -0.340 119.867 120.200 0.012 0.000 2.031 276 E HA -0.159 4.042 4.350 -0.249 0.000 0.193 276 E C 0.315 176.909 176.600 -0.010 0.000 0.994 276 E CA 1.722 58.133 56.400 0.019 0.000 0.800 276 E CB -1.947 27.786 29.700 0.054 0.000 0.752 276 E HN 0.483 nan 8.360 nan 0.000 0.447 277 P HA -0.137 nan 4.420 nan 0.000 0.216 277 P C 1.758 179.030 177.300 -0.047 0.000 1.150 277 P CA 1.063 64.150 63.100 -0.022 0.000 0.843 277 P CB -0.077 31.610 31.700 -0.022 0.000 0.787 278 L N -0.879 120.303 121.223 -0.069 0.000 2.027 278 L HA -0.152 4.039 4.340 -0.249 0.000 0.206 278 L C 2.405 179.207 176.870 -0.114 0.000 1.074 278 L CA 1.625 56.409 54.840 -0.093 0.000 0.745 278 L CB -0.565 41.427 42.059 -0.112 0.000 0.898 278 L HN -0.105 nan 8.230 nan 0.000 0.433 279 K N -0.144 120.182 120.400 -0.125 0.000 2.103 279 K HA -0.213 3.958 4.320 -0.249 0.000 0.207 279 K C 2.100 178.632 176.600 -0.114 0.000 1.048 279 K CA 1.415 57.605 56.287 -0.162 0.000 0.930 279 K CB 0.012 32.424 32.500 -0.146 0.000 0.716 279 K HN 0.272 nan 8.250 nan 0.000 0.444 280 K N 0.294 120.652 120.400 -0.070 0.000 2.001 280 K HA -0.068 4.103 4.320 -0.249 0.000 0.208 280 K C 2.153 178.721 176.600 -0.052 0.000 1.048 280 K CA 1.490 57.748 56.287 -0.048 0.000 0.932 280 K CB -0.125 32.359 32.500 -0.026 0.000 0.715 280 K HN 0.119 nan 8.250 nan 0.000 0.437 281 M N 0.592 120.160 119.600 -0.054 0.000 2.202 281 M HA -0.148 4.183 4.480 -0.249 0.000 0.262 281 M C 2.282 178.547 176.300 -0.060 0.000 1.063 281 M CA 1.538 56.809 55.300 -0.049 0.000 1.097 281 M CB -0.336 32.236 32.600 -0.048 0.000 1.382 281 M HN 0.190 nan 8.290 nan 0.000 0.413 282 A N -0.110 122.660 122.820 -0.083 0.000 2.167 282 A HA 0.278 4.448 4.320 -0.249 0.000 0.214 282 A C 1.730 179.261 177.584 -0.088 0.000 1.151 282 A CA 0.880 52.859 52.037 -0.096 0.000 0.735 282 A CB -0.910 18.007 19.000 -0.139 0.000 0.802 282 A HN 0.646 nan 8.150 nan 0.000 0.467 283 G N 0.163 108.915 108.800 -0.079 0.000 2.249 283 G HA2 -0.263 3.547 3.960 -0.249 0.000 0.273 283 G HA3 -0.263 3.547 3.960 -0.249 0.000 0.273 283 G C 0.182 175.038 174.900 -0.073 0.000 1.036 283 G CA 0.396 45.458 45.100 -0.063 0.000 0.824 283 G HN 1.400 nan 8.290 nan 0.000 0.504 284 I N -2.306 118.197 120.570 -0.111 0.000 2.529 284 I HA 0.571 4.592 4.170 -0.249 0.000 0.284 284 I C 0.609 176.677 176.117 -0.082 0.000 1.082 284 I CA -0.990 60.231 61.300 -0.132 0.000 1.406 284 I CB 0.595 38.441 38.000 -0.258 0.000 1.405 284 I HN 0.220 nan 8.210 nan 0.000 0.548 285 E N 4.876 125.048 120.200 -0.046 0.000 2.608 285 E HA -0.051 4.150 4.350 -0.249 0.000 0.259 285 E C -0.716 175.915 176.600 0.051 0.000 0.951 285 E CA 0.200 56.602 56.400 0.003 0.000 0.945 285 E CB 0.095 29.803 29.700 0.013 0.000 0.916 285 E HN 0.490 nan 8.360 nan 0.000 0.477 286 K N 3.742 124.189 120.400 0.078 0.000 2.142 286 K HA 0.195 4.366 4.320 -0.249 0.000 0.250 286 K C 0.227 176.921 176.600 0.156 0.000 1.148 286 K CA -0.190 56.192 56.287 0.158 0.000 1.040 286 K CB -0.128 32.439 32.500 0.112 0.000 1.569 286 K HN 0.490 nan 8.250 nan 0.000 0.361 287 I N 2.078 122.785 120.570 0.228 0.000 3.415 287 I HA -0.294 3.727 4.170 -0.249 0.000 0.361 287 I C 0.231 176.361 176.117 0.022 0.000 1.155 287 I CA 0.505 61.865 61.300 0.102 0.000 1.595 287 I CB 0.231 38.233 38.000 0.002 0.000 1.239 287 I HN 0.727 nan 8.210 nan 0.000 0.463 288 D N 6.213 126.624 120.400 0.018 0.000 2.629 288 D HA -0.169 4.322 4.640 -0.249 0.000 0.228 288 D C 1.011 177.306 176.300 -0.008 0.000 1.127 288 D CA 0.432 54.436 54.000 0.007 0.000 0.855 288 D CB 0.922 41.726 40.800 0.006 0.000 1.180 288 D HN 0.615 nan 8.370 nan 0.000 0.484 289 E N 3.254 123.452 120.200 -0.003 0.000 2.048 289 E HA -0.291 3.910 4.350 -0.249 0.000 0.202 289 E C 1.639 178.232 176.600 -0.012 0.000 1.021 289 E CA 1.958 58.354 56.400 -0.007 0.000 0.825 289 E CB -0.071 29.629 29.700 0.000 0.000 0.756 289 E HN 0.618 nan 8.360 nan 0.000 0.454 290 K N -0.200 120.196 120.400 -0.007 0.000 2.032 290 K HA -0.148 4.022 4.320 -0.249 0.000 0.209 290 K C 2.245 178.839 176.600 -0.010 0.000 1.048 290 K CA 1.807 58.089 56.287 -0.007 0.000 0.927 290 K CB -0.323 32.175 32.500 -0.003 0.000 0.712 290 K HN 0.171 nan 8.250 nan 0.000 0.441 291 I N 1.039 121.602 120.570 -0.011 0.000 2.163 291 I HA -0.298 3.722 4.170 -0.249 0.000 0.243 291 I C 2.391 178.490 176.117 -0.030 0.000 1.085 291 I CA 0.812 62.103 61.300 -0.015 0.000 1.347 291 I CB -0.332 37.661 38.000 -0.011 0.000 1.044 291 I HN 0.250 nan 8.210 nan 0.000 0.408 292 L N 0.337 121.531 121.223 -0.048 0.000 1.932 292 L HA -0.252 3.939 4.340 -0.249 0.000 0.217 292 L C 2.589 179.433 176.870 -0.042 0.000 1.077 292 L CA 1.991 56.785 54.840 -0.076 0.000 0.765 292 L CB -0.364 41.639 42.059 -0.095 0.000 0.888 292 L HN 0.091 nan 8.230 nan 0.000 0.433 293 M N -0.579 119.004 119.600 -0.029 0.000 2.086 293 M HA -0.181 4.150 4.480 -0.249 0.000 0.261 293 M C 2.223 178.518 176.300 -0.009 0.000 1.067 293 M CA 1.523 56.811 55.300 -0.019 0.000 1.116 293 M CB -1.474 31.115 32.600 -0.018 0.000 1.348 293 M HN 0.371 nan 8.290 nan 0.000 0.407 294 E N 0.435 120.631 120.200 -0.007 0.000 2.068 294 E HA -0.267 3.933 4.350 -0.249 0.000 0.207 294 E C 1.764 178.371 176.600 0.011 0.000 1.032 294 E CA 1.973 58.373 56.400 0.000 0.000 0.839 294 E CB -0.636 29.063 29.700 -0.001 0.000 0.758 294 E HN 0.556 nan 8.360 nan 0.000 0.457 295 N N 0.284 118.990 118.700 0.011 0.000 2.188 295 N HA -0.117 4.473 4.740 -0.249 0.000 0.184 295 N C 1.867 177.409 175.510 0.054 0.000 1.018 295 N CA 1.399 54.464 53.050 0.026 0.000 0.858 295 N CB -0.125 38.371 38.487 0.015 0.000 0.989 295 N HN -0.082 nan 8.380 nan 0.000 0.426 296 S N -0.205 115.521 115.700 0.043 0.000 2.365 296 S HA -0.117 4.204 4.470 -0.249 0.000 0.225 296 S C 1.997 176.688 174.600 0.152 0.000 1.039 296 S CA 1.246 59.489 58.200 0.072 0.000 1.033 296 S CB -0.260 62.952 63.200 0.021 0.000 0.887 296 S HN 0.365 nan 8.310 nan 0.000 0.447 297 R N 0.108 120.670 120.500 0.104 0.000 2.090 297 R HA 0.163 4.353 4.340 -0.249 0.000 0.228 297 R C 1.705 178.075 176.300 0.116 0.000 1.110 297 R CA 1.066 57.247 56.100 0.136 0.000 0.973 297 R CB -0.132 30.189 30.300 0.034 0.000 0.869 297 R HN 0.402 nan 8.270 nan 0.000 0.440 298 L N -0.090 121.171 121.223 0.063 0.000 2.612 298 L HA 0.221 4.411 4.340 -0.249 0.000 0.230 298 L C 1.903 178.792 176.870 0.033 0.000 1.140 298 L CA 0.052 54.901 54.840 0.016 0.000 0.896 298 L CB 0.036 42.103 42.059 0.013 0.000 1.065 298 L HN 0.184 nan 8.230 nan 0.000 0.447 299 A N 0.760 123.649 122.820 0.115 0.000 1.968 299 A HA -0.017 4.154 4.320 -0.249 0.000 0.217 299 A C 2.357 180.012 177.584 0.120 0.000 1.169 299 A CA 1.421 53.555 52.037 0.162 0.000 0.638 299 A CB -0.768 18.392 19.000 0.266 0.000 0.812 299 A HN 0.416 nan 8.150 nan 0.000 0.446 300 G N -1.191 107.571 108.800 -0.063 0.000 2.534 300 G HA2 -0.100 3.710 3.960 -0.249 0.000 0.217 300 G HA3 -0.100 3.710 3.960 -0.249 0.000 0.217 300 G C 1.468 176.273 174.900 -0.158 0.000 1.128 300 G CA 0.756 45.688 45.100 -0.280 0.000 0.784 300 G HN 0.428 nan 8.290 nan 0.000 0.542 301 M N -0.228 119.303 119.600 -0.116 0.000 2.202 301 M HA 0.031 4.362 4.480 -0.249 0.000 0.262 301 M C 1.135 177.429 176.300 -0.009 0.000 1.063 301 M CA 1.158 56.421 55.300 -0.062 0.000 1.097 301 M CB -0.190 32.389 32.600 -0.036 0.000 1.382 301 M HN 0.285 nan 8.290 nan 0.000 0.413 302 F N 1.033 120.998 119.950 0.025 0.000 2.366 302 F HA 0.479 4.857 4.527 -0.249 0.000 0.366 302 F C -0.640 175.201 175.800 0.067 0.000 1.096 302 F CA -1.635 56.394 58.000 0.048 0.000 1.060 302 F CB -0.064 38.970 39.000 0.057 0.000 1.282 302 F HN -0.029 nan 8.300 nan 0.000 0.450 303 D N 1.193 121.626 120.400 0.056 0.000 2.529 303 D HA 0.818 5.309 4.640 -0.249 0.000 0.273 303 D C -0.558 175.757 176.300 0.026 0.000 1.197 303 D CA -0.082 53.941 54.000 0.039 0.000 1.070 303 D CB 1.992 42.818 40.800 0.042 0.000 1.134 303 D HN 0.544 nan 8.370 nan 0.000 0.590 304 I N -0.302 120.272 120.570 0.007 0.000 2.529 304 I HA 0.315 4.336 4.170 -0.249 0.000 0.284 304 I C -0.018 176.109 176.117 0.017 0.000 1.088 304 I CA -0.251 61.063 61.300 0.023 0.000 1.062 304 I CB 2.175 40.198 38.000 0.038 0.000 1.218 304 I HN 0.296 nan 8.210 nan 0.000 0.442 305 E N 2.283 122.496 120.200 0.022 0.000 2.702 305 E HA 0.116 4.317 4.350 -0.249 0.000 0.225 305 E C -0.605 176.009 176.600 0.022 0.000 0.942 305 E CA 0.015 56.426 56.400 0.018 0.000 1.210 305 E CB 0.712 30.418 29.700 0.011 0.000 1.143 305 E HN 0.752 nan 8.360 nan 0.000 0.544 311 R N 0.294 120.754 120.500 -0.067 0.000 2.190 311 R HA -0.267 3.923 4.340 -0.249 0.000 0.255 311 R C 1.493 177.605 176.300 -0.314 0.000 1.143 311 R CA 3.102 59.034 56.100 -0.281 0.000 0.965 311 R CB -0.892 29.083 30.300 -0.541 0.000 0.889 311 R HN 0.620 nan 8.270 nan 0.000 0.448 312 Y N -0.720 119.584 120.300 0.006 0.000 2.448 312 Y HA 0.108 4.508 4.550 -0.250 0.000 0.289 312 Y C 1.899 177.802 175.900 0.005 0.000 1.114 312 Y CA 0.513 58.615 58.100 0.004 0.000 1.235 312 Y CB -0.301 38.161 38.460 0.002 0.000 1.045 312 Y HN 0.098 nan 8.280 nan 0.000 0.554 313 L N 0.525 121.834 121.223 0.143 0.000 2.042 313 L HA -0.188 4.003 4.340 -0.249 0.000 0.210 313 L C 2.133 179.034 176.870 0.052 0.000 1.076 313 L CA 1.765 56.655 54.840 0.083 0.000 0.749 313 L CB -0.196 41.904 42.059 0.067 0.000 0.893 313 L HN 0.005 nan 8.230 nan 0.000 0.432 314 R N 0.092 120.610 120.500 0.029 0.000 2.235 314 R HA -0.043 4.148 4.340 -0.249 0.000 0.213 314 R C 1.891 178.193 176.300 0.004 0.000 1.059 314 R CA 1.089 57.194 56.100 0.008 0.000 0.997 314 R CB -0.447 29.845 30.300 -0.014 0.000 0.884 314 R HN 0.643 nan 8.270 nan 0.000 0.462 315 E N 0.072 120.280 120.200 0.014 0.000 2.140 315 E HA -0.102 4.099 4.350 -0.249 0.000 0.191 315 E C 1.725 178.346 176.600 0.035 0.000 0.973 315 E CA 0.261 56.673 56.400 0.020 0.000 0.829 315 E CB 0.057 29.777 29.700 0.032 0.000 0.781 315 E HN 0.040 nan 8.360 nan 0.000 0.466 316 Q N 0.871 120.701 119.800 0.050 0.000 2.224 316 Q HA -0.057 4.134 4.340 -0.249 0.000 0.203 316 Q C 1.813 177.829 176.000 0.026 0.000 0.970 316 Q CA 0.689 56.517 55.803 0.041 0.000 0.865 316 Q CB 0.279 29.046 28.738 0.049 0.000 0.922 316 Q HN 0.140 nan 8.270 nan 0.000 0.445 317 V N -0.980 118.948 119.914 0.024 0.000 3.431 317 V HA 0.222 4.193 4.120 -0.249 0.000 0.253 317 V C 1.545 177.647 176.094 0.013 0.000 1.184 317 V CA 1.043 63.354 62.300 0.018 0.000 1.104 317 V CB 0.095 31.931 31.823 0.022 0.000 0.799 317 V HN 0.367 nan 8.190 nan 0.000 0.462 318 A N 0.176 123.003 122.820 0.012 0.000 1.841 318 A HA -0.177 3.994 4.320 -0.249 0.000 0.214 318 A C 2.177 179.766 177.584 0.007 0.000 1.195 318 A CA 2.021 54.062 52.037 0.007 0.000 0.611 318 A CB -0.565 18.437 19.000 0.003 0.000 0.835 318 A HN 0.488 nan 8.150 nan 0.000 0.443 319 K N -0.937 119.469 120.400 0.010 0.000 2.074 319 K HA -0.152 4.019 4.320 -0.249 0.000 0.209 319 K C 2.418 179.022 176.600 0.007 0.000 1.048 319 K CA 1.279 57.572 56.287 0.009 0.000 0.926 319 K CB -0.149 32.359 32.500 0.013 0.000 0.713 319 K HN 0.188 nan 8.250 nan 0.000 0.444 320 R N 0.473 120.978 120.500 0.008 0.000 2.103 320 R HA -0.146 4.045 4.340 -0.249 0.000 0.242 320 R C 1.989 178.291 176.300 0.004 0.000 1.142 320 R CA 1.539 57.642 56.100 0.006 0.000 0.960 320 R CB -0.458 29.846 30.300 0.007 0.000 0.858 320 R HN 0.113 nan 8.270 nan 0.000 0.439 321 V N -1.840 118.076 119.914 0.004 0.000 2.825 321 V HA 0.155 4.126 4.120 -0.249 0.000 0.246 321 V C 1.246 177.342 176.094 0.002 0.000 1.068 321 V CA 1.040 63.341 62.300 0.002 0.000 1.088 321 V CB 0.042 31.866 31.823 0.002 0.000 0.733 321 V HN 0.590 nan 8.190 nan 0.000 0.468 322 G N 1.312 110.113 108.800 0.002 0.000 2.173 322 G HA2 -0.148 3.663 3.960 -0.249 0.000 0.174 322 G HA3 -0.148 3.663 3.960 -0.249 0.000 0.174 322 G C -0.214 174.687 174.900 0.001 0.000 1.025 322 G CA 0.092 45.193 45.100 0.002 0.000 0.706 322 G HN 0.673 nan 8.290 nan 0.000 0.499 323 I N -2.711 117.860 120.570 0.001 0.000 3.145 323 I HA 0.879 4.900 4.170 -0.249 0.000 0.313 323 I C 0.661 176.778 176.117 -0.001 0.000 1.122 323 I CA -0.902 60.398 61.300 0.000 0.000 0.987 323 I CB 1.499 39.499 38.000 0.000 0.000 1.236 323 I HN 0.165 nan 8.210 nan 0.000 0.453 324 T N -0.156 114.397 114.554 -0.003 0.000 2.813 324 T HA 0.198 4.398 4.350 -0.249 0.000 0.297 324 T C 1.381 176.077 174.700 -0.007 0.000 1.036 324 T CA -0.165 61.931 62.100 -0.005 0.000 1.044 324 T CB 1.298 70.162 68.868 -0.007 0.000 0.993 324 T HN 0.825 nan 8.240 nan 0.000 0.535 325 V N -0.937 118.970 119.914 -0.012 0.000 2.407 325 V HA -0.118 3.853 4.120 -0.249 0.000 0.248 325 V C 2.225 178.309 176.094 -0.017 0.000 1.055 325 V CA 1.687 63.977 62.300 -0.017 0.000 1.049 325 V CB -1.329 30.476 31.823 -0.030 0.000 0.662 325 V HN 0.838 nan 8.190 nan 0.000 0.455 326 E N 0.656 120.846 120.200 -0.017 0.000 2.106 326 E HA -0.155 4.046 4.350 -0.249 0.000 0.192 326 E C 2.148 178.741 176.600 -0.011 0.000 0.984 326 E CA 1.431 57.821 56.400 -0.016 0.000 0.806 326 E CB -0.314 29.376 29.700 -0.016 0.000 0.750 326 E HN 0.776 nan 8.360 nan 0.000 0.458 327 E N 0.311 120.506 120.200 -0.008 0.000 2.072 327 E HA -0.150 4.050 4.350 -0.249 0.000 0.191 327 E C 1.802 178.402 176.600 -0.000 0.000 0.985 327 E CA 0.701 57.099 56.400 -0.004 0.000 0.801 327 E CB -0.115 29.584 29.700 -0.002 0.000 0.750 327 E HN 0.234 nan 8.360 nan 0.000 0.452 328 L N 0.620 121.843 121.223 -0.001 0.000 2.049 328 L HA -0.054 4.137 4.340 -0.249 0.000 0.203 328 L C 2.296 179.169 176.870 0.004 0.000 1.074 328 L CA 2.178 57.019 54.840 0.003 0.000 0.749 328 L CB -0.698 41.362 42.059 0.002 0.000 0.907 328 L HN 0.160 nan 8.230 nan 0.000 0.439 329 E N 0.505 120.703 120.200 -0.003 0.000 2.086 329 E HA -0.368 3.833 4.350 -0.249 0.000 0.200 329 E C 2.180 178.776 176.600 -0.006 0.000 1.012 329 E CA 2.216 58.612 56.400 -0.007 0.000 0.812 329 E CB -0.385 29.304 29.700 -0.017 0.000 0.743 329 E HN 0.430 nan 8.360 nan 0.000 0.453 330 K N -0.126 120.270 120.400 -0.007 0.000 2.089 330 K HA -0.199 3.972 4.320 -0.249 0.000 0.210 330 K C 1.842 178.447 176.600 0.008 0.000 1.048 330 K CA 2.043 58.327 56.287 -0.006 0.000 0.926 330 K CB -0.617 31.880 32.500 -0.005 0.000 0.714 330 K HN 0.261 nan 8.250 nan 0.000 0.448 331 A N -0.065 122.770 122.820 0.025 0.000 1.887 331 A HA 0.091 4.262 4.320 -0.249 0.000 0.212 331 A C 2.056 179.710 177.584 0.117 0.000 1.198 331 A CA 0.984 53.057 52.037 0.060 0.000 0.628 331 A CB -0.456 18.570 19.000 0.044 0.000 0.847 331 A HN 0.363 nan 8.150 nan 0.000 0.449 332 I N -1.643 118.972 120.570 0.075 0.000 2.333 332 I HA 0.012 4.033 4.170 -0.249 0.000 0.246 332 I C 2.172 178.344 176.117 0.092 0.000 1.106 332 I CA 1.436 62.792 61.300 0.094 0.000 1.411 332 I CB -0.665 37.361 38.000 0.044 0.000 1.082 332 I HN 0.131 nan 8.210 nan 0.000 0.420 333 R N 1.845 122.359 120.500 0.025 0.000 2.191 333 R HA -0.198 3.993 4.340 -0.249 0.000 0.248 333 R C -0.419 175.833 176.300 -0.081 0.000 1.127 333 R CA 2.632 58.712 56.100 -0.032 0.000 0.943 333 R CB -2.201 28.073 30.300 -0.044 0.000 0.891 333 R HN 0.299 nan 8.270 nan 0.000 0.439 334 P HA -0.140 nan 4.420 nan 0.000 0.215 334 P C 0.889 178.002 177.300 -0.311 0.000 1.153 334 P CA 1.481 64.457 63.100 -0.208 0.000 0.853 334 P CB -0.212 31.339 31.700 -0.248 0.000 0.788 335 Y N 0.143 120.270 120.300 -0.288 0.000 2.181 335 Y HA -0.190 4.210 4.550 -0.250 0.000 0.288 335 Y C 2.466 177.985 175.900 -0.633 0.000 1.146 335 Y CA 1.422 59.203 58.100 -0.532 0.000 1.164 335 Y CB -0.795 37.426 38.460 -0.398 0.000 0.982 335 Y HN 0.027 nan 8.280 nan 0.000 0.515 336 E N 0.094 120.213 120.200 -0.134 0.000 2.085 336 E HA -0.232 3.969 4.350 -0.249 0.000 0.194 336 E C 2.068 178.552 176.600 -0.193 0.000 0.994 336 E CA 1.603 57.948 56.400 -0.092 0.000 0.801 336 E CB -0.334 29.335 29.700 -0.051 0.000 0.743 336 E HN 0.433 nan 8.360 nan 0.000 0.453 337 L N 0.305 121.379 121.223 -0.250 0.000 2.027 337 L HA -0.160 4.030 4.340 -0.249 0.000 0.206 337 L C 2.414 179.169 176.870 -0.193 0.000 1.074 337 L CA 0.877 55.563 54.840 -0.257 0.000 0.745 337 L CB -0.325 41.559 42.059 -0.291 0.000 0.898 337 L HN 0.151 nan 8.230 nan 0.000 0.433 338 I N -1.342 119.059 120.570 -0.280 0.000 2.208 338 I HA -0.342 3.679 4.170 -0.249 0.000 0.245 338 I C 2.506 178.491 176.117 -0.220 0.000 1.097 338 I CA 1.459 62.593 61.300 -0.277 0.000 1.363 338 I CB -0.335 37.431 38.000 -0.391 0.000 1.051 338 I HN 0.157 nan 8.210 nan 0.000 0.413 339 Y N 0.682 120.829 120.300 -0.256 0.000 2.114 339 Y HA -0.200 4.201 4.550 -0.249 0.000 0.284 339 Y C 2.696 178.260 175.900 -0.559 0.000 1.143 339 Y CA 0.744 58.566 58.100 -0.463 0.000 1.135 339 Y CB -1.478 36.557 38.460 -0.709 0.000 0.980 339 Y HN 0.112 nan 8.280 nan 0.000 0.499 340 A N 0.302 122.913 122.820 -0.349 0.000 1.927 340 A HA -0.229 3.942 4.320 -0.249 0.000 0.220 340 A C 2.356 179.507 177.584 -0.722 0.000 1.185 340 A CA 2.223 53.926 52.037 -0.555 0.000 0.639 340 A CB -1.248 17.582 19.000 -0.284 0.000 0.820 340 A HN 0.487 nan 8.150 nan 0.000 0.451 341 I N -0.606 119.762 120.570 -0.337 0.000 2.202 341 I HA -0.248 3.773 4.170 -0.249 0.000 0.242 341 I C 2.995 179.040 176.117 -0.120 0.000 1.091 341 I CA 0.957 62.123 61.300 -0.224 0.000 1.368 341 I CB -0.360 37.577 38.000 -0.105 0.000 1.058 341 I HN 0.364 nan 8.210 nan 0.000 0.410 342 A N 0.377 123.143 122.820 -0.089 0.000 1.892 342 A HA -0.321 3.850 4.320 -0.249 0.000 0.218 342 A C 2.150 179.807 177.584 0.121 0.000 1.188 342 A CA 2.330 54.390 52.037 0.038 0.000 0.631 342 A CB -0.810 18.198 19.000 0.014 0.000 0.822 342 A HN 0.533 nan 8.150 nan 0.000 0.447 343 D N -1.118 119.282 120.400 -0.001 0.000 2.077 343 D HA -0.223 4.268 4.640 -0.249 0.000 0.193 343 D C 1.720 178.104 176.300 0.139 0.000 0.989 343 D CA 1.752 55.816 54.000 0.108 0.000 0.831 343 D CB -0.356 40.468 40.800 0.039 0.000 0.979 343 D HN 0.532 nan 8.370 nan 0.000 0.449 344 H N 0.157 119.188 119.070 -0.064 0.000 2.387 344 H HA -0.087 4.322 4.556 -0.245 0.000 0.299 344 H C 2.352 177.635 175.328 -0.075 0.000 1.099 344 H CA 2.015 58.003 56.048 -0.100 0.000 1.315 344 H CB -1.179 28.490 29.762 -0.155 0.000 1.380 344 H HN 0.375 nan 8.280 nan 0.000 0.513 345 T N -1.331 113.278 114.554 0.091 0.000 2.881 345 T HA -0.112 4.089 4.350 -0.249 0.000 0.270 345 T C 1.924 176.539 174.700 -0.141 0.000 1.068 345 T CA 1.338 63.474 62.100 0.060 0.000 1.131 345 T CB 0.228 69.221 68.868 0.209 0.000 0.871 345 T HN 0.315 nan 8.240 nan 0.000 0.479 346 K N 1.304 121.488 120.400 -0.361 0.000 2.044 346 K HA 0.198 4.369 4.320 -0.249 0.000 0.204 346 K C 2.725 179.321 176.600 -0.007 0.000 1.049 346 K CA 0.849 56.832 56.287 -0.507 0.000 0.945 346 K CB -0.554 31.722 32.500 -0.374 0.000 0.724 346 K HN 0.330 nan 8.250 nan 0.000 0.440 347 A N 1.901 124.740 122.820 0.031 0.000 1.917 347 A HA -0.196 3.975 4.320 -0.249 0.000 0.219 347 A C 2.149 179.765 177.584 0.054 0.000 1.182 347 A CA 1.497 53.568 52.037 0.056 0.000 0.633 347 A CB -0.798 18.187 19.000 -0.025 0.000 0.819 347 A HN 0.345 nan 8.150 nan 0.000 0.448 348 L N -0.715 120.502 121.223 -0.011 0.000 1.990 348 L HA -0.241 3.949 4.340 -0.249 0.000 0.213 348 L C 2.910 179.709 176.870 -0.119 0.000 1.072 348 L CA 2.114 56.925 54.840 -0.048 0.000 0.755 348 L CB -0.989 41.038 42.059 -0.053 0.000 0.889 348 L HN 0.445 nan 8.230 nan 0.000 0.432 349 T N -0.563 113.864 114.554 -0.212 0.000 2.720 349 T HA -0.216 3.985 4.350 -0.249 0.000 0.268 349 T C 1.602 175.941 174.700 -0.602 0.000 1.037 349 T CA 1.566 63.377 62.100 -0.483 0.000 1.144 349 T CB -0.480 67.987 68.868 -0.668 0.000 0.864 349 T HN 0.106 nan 8.240 nan 0.000 0.444 350 F N 0.836 120.579 119.950 -0.343 0.000 2.171 350 F HA 0.046 4.419 4.527 -0.256 0.000 0.300 350 F C 2.462 178.198 175.800 -0.107 0.000 1.090 350 F CA 0.985 58.881 58.000 -0.173 0.000 1.293 350 F CB -0.535 38.416 39.000 -0.082 0.000 1.013 350 F HN 0.100 nan 8.300 nan 0.000 0.486 351 M N -0.710 118.926 119.600 0.060 0.000 2.081 351 M HA -0.166 4.165 4.480 -0.249 0.000 0.261 351 M C 2.246 178.530 176.300 -0.026 0.000 1.075 351 M CA 1.499 56.815 55.300 0.028 0.000 1.133 351 M CB -0.620 31.996 32.600 0.027 0.000 1.330 351 M HN 0.089 nan 8.290 nan 0.000 0.414 352 L N -0.052 121.123 121.223 -0.080 0.000 2.017 352 L HA -0.176 4.015 4.340 -0.249 0.000 0.208 352 L C 2.848 179.671 176.870 -0.078 0.000 1.073 352 L CA 1.394 56.176 54.840 -0.096 0.000 0.745 352 L CB -1.234 40.734 42.059 -0.152 0.000 0.894 352 L HN 0.329 nan 8.230 nan 0.000 0.432 353 A N -0.090 122.646 122.820 -0.139 0.000 1.908 353 A HA -0.229 3.942 4.320 -0.249 0.000 0.218 353 A C 1.682 179.296 177.584 0.050 0.000 1.181 353 A CA 2.019 54.010 52.037 -0.077 0.000 0.627 353 A CB -0.491 18.387 19.000 -0.204 0.000 0.818 353 A HN 0.378 nan 8.150 nan 0.000 0.445 354 D N -1.429 119.003 120.400 0.054 0.000 2.324 354 D HA 0.303 4.793 4.640 -0.249 0.000 0.235 354 D C 1.251 177.567 176.300 0.026 0.000 1.095 354 D CA 1.070 55.118 54.000 0.081 0.000 0.871 354 D CB 0.040 40.899 40.800 0.098 0.000 0.906 354 D HN 0.638 nan 8.370 nan 0.000 0.522 355 G N -0.107 108.718 108.800 0.042 0.000 2.159 355 G HA2 -0.269 3.542 3.960 -0.249 0.000 0.227 355 G HA3 -0.269 3.542 3.960 -0.249 0.000 0.227 355 G C 0.373 175.283 174.900 0.016 0.000 0.986 355 G CA -0.084 45.050 45.100 0.056 0.000 0.651 355 G HN 0.258 nan 8.290 nan 0.000 0.523 356 V N 1.862 121.768 119.914 -0.015 0.000 2.403 356 V HA 0.324 4.295 4.120 -0.249 0.000 0.265 356 V C 1.048 177.147 176.094 0.008 0.000 1.034 356 V CA -0.158 62.130 62.300 -0.020 0.000 1.036 356 V CB 1.245 33.050 31.823 -0.029 0.000 1.032 356 V HN 0.269 nan 8.190 nan 0.000 0.478 357 V N 8.954 128.896 119.914 0.046 0.000 2.408 357 V HA 0.216 4.187 4.120 -0.249 0.000 0.267 357 V C -1.925 174.187 176.094 0.029 0.000 1.047 357 V CA -1.687 60.652 62.300 0.065 0.000 0.937 357 V CB 1.066 32.980 31.823 0.152 0.000 0.999 357 V HN 0.735 nan 8.190 nan 0.000 0.472 358 P HA 0.185 nan 4.420 nan 0.000 0.265 358 P C -0.016 177.292 177.300 0.012 0.000 1.193 358 P CA 0.518 63.610 63.100 -0.014 0.000 0.765 358 P CB 0.739 32.413 31.700 -0.042 0.000 0.823 359 S N 2.040 117.751 115.700 0.020 0.000 2.930 359 S HA 0.329 4.649 4.470 -0.249 0.000 0.306 359 S C -0.085 174.559 174.600 0.073 0.000 1.238 359 S CA -0.612 57.614 58.200 0.043 0.000 1.000 359 S CB 0.485 63.716 63.200 0.052 0.000 1.342 359 S HN 0.239 nan 8.310 nan 0.000 0.575 360 N N 0.234 118.995 118.700 0.101 0.000 2.184 360 N HA 0.285 4.875 4.740 -0.249 0.000 0.206 360 N C -0.198 175.434 175.510 0.203 0.000 1.151 360 N CA 0.724 53.883 53.050 0.181 0.000 0.878 360 N CB 1.173 39.722 38.487 0.103 0.000 1.014 360 N HN 0.690 nan 8.380 nan 0.000 0.512 361 V N -2.663 117.326 119.914 0.126 0.000 2.962 361 V HA 0.531 4.502 4.120 -0.249 0.000 0.313 361 V C 0.655 176.765 176.094 0.027 0.000 1.099 361 V CA -1.186 61.131 62.300 0.029 0.000 0.971 361 V CB 2.529 34.346 31.823 -0.009 0.000 1.028 361 V HN -0.008 nan 8.190 nan 0.000 0.430 362 K N 1.272 121.641 120.400 -0.051 0.000 1.824 362 K HA -0.360 3.811 4.320 -0.249 0.000 0.120 362 K C 1.597 178.183 176.600 -0.023 0.000 1.268 362 K CA 1.833 58.083 56.287 -0.063 0.000 0.420 362 K CB -1.686 30.774 32.500 -0.067 0.000 0.586 362 K HN 1.311 nan 8.250 nan 0.000 0.907 363 A N 0.799 123.587 122.820 -0.053 0.000 1.972 363 A HA -0.044 4.127 4.320 -0.249 0.000 0.219 363 A C 2.293 179.856 177.584 -0.034 0.000 1.169 363 A CA 2.535 54.532 52.037 -0.066 0.000 0.635 363 A CB -1.005 17.947 19.000 -0.081 0.000 0.810 363 A HN 0.726 nan 8.150 nan 0.000 0.446 364 G N -1.539 107.262 108.800 0.001 0.000 2.418 364 G HA2 -0.270 3.541 3.960 -0.249 0.000 0.217 364 G HA3 -0.270 3.541 3.960 -0.249 0.000 0.217 364 G C 1.495 176.409 174.900 0.024 0.000 1.158 364 G CA 1.183 46.290 45.100 0.012 0.000 0.771 364 G HN 0.610 nan 8.290 nan 0.000 0.545 365 Y N 1.195 121.458 120.300 -0.061 0.000 2.069 365 Y HA -0.243 4.152 4.550 -0.257 0.000 0.278 365 Y C 2.562 178.422 175.900 -0.066 0.000 1.175 365 Y CA 1.948 60.021 58.100 -0.045 0.000 1.134 365 Y CB -0.304 38.122 38.460 -0.056 0.000 0.965 365 Y HN 0.138 nan 8.280 nan 0.000 0.498 366 L N -0.261 120.887 121.223 -0.125 0.000 2.017 366 L HA -0.229 3.962 4.340 -0.249 0.000 0.208 366 L C 2.895 179.651 176.870 -0.191 0.000 1.073 366 L CA 1.143 55.773 54.840 -0.350 0.000 0.745 366 L CB -1.159 40.541 42.059 -0.599 0.000 0.894 366 L HN 0.385 nan 8.230 nan 0.000 0.432 367 A N 0.283 123.047 122.820 -0.094 0.000 1.884 367 A HA -0.331 3.840 4.320 -0.249 0.000 0.219 367 A C 2.418 179.958 177.584 -0.074 0.000 1.197 367 A CA 2.436 54.450 52.037 -0.039 0.000 0.637 367 A CB -0.762 18.216 19.000 -0.037 0.000 0.827 367 A HN 0.395 nan 8.150 nan 0.000 0.450 368 R N -0.871 119.564 120.500 -0.108 0.000 2.081 368 R HA -0.141 4.050 4.340 -0.249 0.000 0.235 368 R C 2.117 178.345 176.300 -0.120 0.000 1.131 368 R CA 1.711 57.740 56.100 -0.118 0.000 0.960 368 R CB -0.460 29.772 30.300 -0.113 0.000 0.856 368 R HN 0.472 nan 8.270 nan 0.000 0.436 369 L N 1.063 122.189 121.223 -0.162 0.000 2.042 369 L HA -0.174 4.017 4.340 -0.249 0.000 0.210 369 L C 1.968 178.781 176.870 -0.095 0.000 1.076 369 L CA 1.694 56.465 54.840 -0.115 0.000 0.749 369 L CB -0.372 41.524 42.059 -0.271 0.000 0.893 369 L HN 0.261 nan 8.230 nan 0.000 0.432 370 L N -0.941 120.231 121.223 -0.084 0.000 1.989 370 L HA -0.265 3.926 4.340 -0.249 0.000 0.211 370 L C 2.542 179.335 176.870 -0.128 0.000 1.071 370 L CA 1.886 56.649 54.840 -0.129 0.000 0.749 370 L CB -0.597 41.413 42.059 -0.081 0.000 0.890 370 L HN 0.290 nan 8.230 nan 0.000 0.431 371 I N -0.382 120.112 120.570 -0.126 0.000 2.118 371 I HA -0.354 3.667 4.170 -0.249 0.000 0.241 371 I C 2.795 178.765 176.117 -0.244 0.000 1.070 371 I CA 1.538 62.742 61.300 -0.160 0.000 1.327 371 I CB -0.423 37.479 38.000 -0.163 0.000 1.034 371 I HN 0.185 nan 8.210 nan 0.000 0.405 372 R N 0.605 120.924 120.500 -0.301 0.000 2.083 372 R HA -0.221 3.970 4.340 -0.249 0.000 0.237 372 R C 2.378 178.574 176.300 -0.172 0.000 1.137 372 R CA 1.614 57.473 56.100 -0.402 0.000 0.951 372 R CB -0.389 29.783 30.300 -0.213 0.000 0.851 372 R HN 0.322 nan 8.270 nan 0.000 0.434 373 K N 0.409 120.723 120.400 -0.144 0.000 2.057 373 K HA -0.119 4.051 4.320 -0.249 0.000 0.207 373 K C 2.009 178.343 176.600 -0.444 0.000 1.049 373 K CA 1.896 58.027 56.287 -0.259 0.000 0.931 373 K CB 0.109 32.376 32.500 -0.388 0.000 0.714 373 K HN 0.099 nan 8.250 nan 0.000 0.440 374 S N 0.969 116.496 115.700 -0.289 0.000 2.371 374 S HA -0.079 4.242 4.470 -0.249 0.000 0.224 374 S C 1.959 176.489 174.600 -0.117 0.000 1.029 374 S CA 1.106 59.163 58.200 -0.239 0.000 0.978 374 S CB -0.275 62.858 63.200 -0.112 0.000 0.833 374 S HN 0.247 nan 8.310 nan 0.000 0.466 375 I N 1.542 122.057 120.570 -0.092 0.000 2.179 375 I HA -0.192 3.829 4.170 -0.249 0.000 0.242 375 I C 2.678 178.833 176.117 0.065 0.000 1.088 375 I CA 1.036 62.328 61.300 -0.013 0.000 1.357 375 I CB -0.289 37.698 38.000 -0.021 0.000 1.051 375 I HN 0.127 nan 8.210 nan 0.000 0.409 376 R N 0.229 120.785 120.500 0.094 0.000 2.105 376 R HA -0.185 4.005 4.340 -0.249 0.000 0.239 376 R C 2.190 178.621 176.300 0.217 0.000 1.135 376 R CA 1.475 57.682 56.100 0.178 0.000 0.967 376 R CB -1.304 29.134 30.300 0.230 0.000 0.861 376 R HN 0.461 nan 8.270 nan 0.000 0.442 377 H N 0.770 119.840 119.070 -0.000 0.000 2.321 377 H HA 0.003 4.410 4.556 -0.247 0.000 0.300 377 H C 2.200 177.501 175.328 -0.046 0.000 1.087 377 H CA 1.090 57.114 56.048 -0.040 0.000 1.319 377 H CB -0.547 29.162 29.762 -0.088 0.000 1.379 377 H HN 0.051 nan 8.280 nan 0.000 0.501 378 L N -0.000 121.280 121.223 0.095 0.000 2.081 378 L HA -0.255 3.936 4.340 -0.249 0.000 0.212 378 L C 2.680 179.562 176.870 0.021 0.000 1.080 378 L CA 1.659 56.516 54.840 0.029 0.000 0.754 378 L CB -0.280 41.788 42.059 0.016 0.000 0.893 378 L HN 0.181 nan 8.230 nan 0.000 0.433 379 R N 0.269 120.796 120.500 0.045 0.000 2.075 379 R HA -0.198 3.993 4.340 -0.249 0.000 0.232 379 R C 2.176 178.484 176.300 0.014 0.000 1.126 379 R CA 1.503 57.624 56.100 0.035 0.000 0.963 379 R CB -0.133 30.204 30.300 0.061 0.000 0.858 379 R HN 0.282 nan 8.270 nan 0.000 0.435 380 E N -0.079 120.129 120.200 0.014 0.000 2.265 380 E HA -0.134 4.067 4.350 -0.249 0.000 0.196 380 E C 1.383 177.953 176.600 -0.051 0.000 0.996 380 E CA 0.840 57.227 56.400 -0.023 0.000 0.832 380 E CB 0.073 29.743 29.700 -0.050 0.000 0.756 380 E HN 0.388 nan 8.360 nan 0.000 0.491 381 L N -1.040 120.151 121.223 -0.053 0.000 2.591 381 L HA 0.161 4.352 4.340 -0.249 0.000 0.228 381 L C 1.382 178.218 176.870 -0.057 0.000 1.133 381 L CA 0.371 55.166 54.840 -0.075 0.000 0.880 381 L CB 0.265 42.270 42.059 -0.089 0.000 1.033 381 L HN 0.322 nan 8.230 nan 0.000 0.450 382 G N 0.630 109.408 108.800 -0.036 0.000 2.155 382 G HA2 -0.300 3.510 3.960 -0.249 0.000 0.257 382 G HA3 -0.300 3.510 3.960 -0.249 0.000 0.257 382 G C 0.195 175.080 174.900 -0.026 0.000 0.983 382 G CA 0.001 45.084 45.100 -0.028 0.000 0.676 382 G HN 0.236 nan 8.290 nan 0.000 0.528 383 L N -0.609 120.598 121.223 -0.027 0.000 2.395 383 L HA 0.537 4.728 4.340 -0.249 0.000 0.269 383 L C 1.444 178.307 176.870 -0.012 0.000 1.133 383 L CA -0.532 54.292 54.840 -0.025 0.000 0.812 383 L CB 1.247 43.285 42.059 -0.034 0.000 1.125 383 L HN 0.076 nan 8.230 nan 0.000 0.452 384 E N 1.080 121.273 120.200 -0.012 0.000 2.389 384 E HA 0.046 4.247 4.350 -0.249 0.000 0.199 384 E C 0.057 176.655 176.600 -0.004 0.000 0.978 384 E CA -0.025 56.372 56.400 -0.004 0.000 0.912 384 E CB 0.435 30.132 29.700 -0.005 0.000 0.907 384 E HN 0.286 nan 8.360 nan 0.000 0.494 385 V N 3.911 123.819 119.914 -0.010 0.000 2.814 385 V HA -0.065 3.906 4.120 -0.249 0.000 0.298 385 V C -2.213 173.877 176.094 -0.007 0.000 1.195 385 V CA -0.653 61.641 62.300 -0.011 0.000 1.323 385 V CB 0.275 32.087 31.823 -0.018 0.000 0.842 385 V HN 0.116 nan 8.190 nan 0.000 0.494 386 P HA 0.018 nan 4.420 nan 0.000 0.268 386 P C 0.614 177.908 177.300 -0.010 0.000 1.205 386 P CA -0.272 62.825 63.100 -0.005 0.000 0.771 386 P CB 1.012 32.709 31.700 -0.005 0.000 0.858 387 L N 3.956 125.172 121.223 -0.012 0.000 2.012 387 L HA -0.252 3.938 4.340 -0.249 0.000 0.210 387 L C 2.590 179.451 176.870 -0.015 0.000 1.073 387 L CA 2.715 57.545 54.840 -0.016 0.000 0.748 387 L CB -1.606 40.436 42.059 -0.027 0.000 0.891 387 L HN 0.536 nan 8.230 nan 0.000 0.431 388 S N -1.199 114.487 115.700 -0.022 0.000 2.399 388 S HA -0.345 3.976 4.470 -0.249 0.000 0.235 388 S C 1.794 176.386 174.600 -0.013 0.000 1.063 388 S CA 1.842 60.027 58.200 -0.025 0.000 1.070 388 S CB -0.936 62.245 63.200 -0.030 0.000 0.904 388 S HN 0.674 nan 8.310 nan 0.000 0.456 389 E N 0.785 120.979 120.200 -0.011 0.000 2.028 389 E HA -0.061 4.140 4.350 -0.249 0.000 0.191 389 E C 2.229 178.824 176.600 -0.007 0.000 0.988 389 E CA 1.321 57.717 56.400 -0.007 0.000 0.799 389 E CB -0.275 29.419 29.700 -0.009 0.000 0.755 389 E HN 0.468 nan 8.360 nan 0.000 0.447 390 I N 1.091 121.653 120.570 -0.013 0.000 2.151 390 I HA -0.243 3.778 4.170 -0.249 0.000 0.243 390 I C 2.519 178.643 176.117 0.011 0.000 1.080 390 I CA 1.092 62.376 61.300 -0.026 0.000 1.339 390 I CB -1.150 36.839 38.000 -0.019 0.000 1.039 390 I HN 0.020 nan 8.210 nan 0.000 0.409 391 V N 1.530 121.484 119.914 0.067 0.000 2.324 391 V HA -0.310 3.661 4.120 -0.249 0.000 0.250 391 V C 2.863 179.017 176.094 0.101 0.000 1.060 391 V CA 1.952 64.328 62.300 0.128 0.000 1.042 391 V CB -1.097 30.744 31.823 0.030 0.000 0.650 391 V HN 0.502 nan 8.190 nan 0.000 0.450 392 A N -0.457 122.390 122.820 0.044 0.000 1.940 392 A HA -0.188 3.982 4.320 -0.249 0.000 0.219 392 A C 2.202 179.836 177.584 0.083 0.000 1.176 392 A CA 1.846 53.911 52.037 0.046 0.000 0.631 392 A CB -0.520 18.492 19.000 0.020 0.000 0.814 392 A HN 0.531 nan 8.150 nan 0.000 0.446 393 L N -1.298 119.960 121.223 0.058 0.000 2.012 393 L HA -0.224 3.967 4.340 -0.249 0.000 0.210 393 L C 2.574 179.574 176.870 0.218 0.000 1.073 393 L CA 1.453 56.347 54.840 0.089 0.000 0.748 393 L CB -0.870 41.180 42.059 -0.015 0.000 0.891 393 L HN 0.480 nan 8.230 nan 0.000 0.431 394 H N -0.320 118.943 119.070 0.322 0.000 2.456 394 H HA -0.077 4.333 4.556 -0.243 0.000 0.296 394 H C 2.261 177.778 175.328 0.315 0.000 1.079 394 H CA 1.384 57.673 56.048 0.402 0.000 1.322 394 H CB 0.075 29.990 29.762 0.255 0.000 1.388 394 H HN 0.427 nan 8.280 nan 0.000 0.538 395 I N 0.267 121.032 120.570 0.326 0.000 2.385 395 I HA -0.149 3.872 4.170 -0.249 0.000 0.244 395 I C 2.576 178.879 176.117 0.311 0.000 1.089 395 I CA 0.446 61.936 61.300 0.318 0.000 1.410 395 I CB -0.167 37.922 38.000 0.149 0.000 1.117 395 I HN 0.003 nan 8.210 nan 0.000 0.429 396 K N 1.176 121.701 120.400 0.208 0.000 2.144 396 K HA -0.307 3.864 4.320 -0.249 0.000 0.209 396 K C 1.998 178.757 176.600 0.265 0.000 1.047 396 K CA 2.167 58.581 56.287 0.210 0.000 0.927 396 K CB 0.034 32.612 32.500 0.130 0.000 0.716 396 K HN 0.158 nan 8.250 nan 0.000 0.454 397 E N 0.067 120.369 120.200 0.171 0.000 2.060 397 E HA -0.028 4.173 4.350 -0.249 0.000 0.189 397 E C 1.538 178.142 176.600 0.007 0.000 0.974 397 E CA 1.052 57.435 56.400 -0.028 0.000 0.808 397 E CB 0.163 29.645 29.700 -0.363 0.000 0.768 397 E HN 0.345 nan 8.360 nan 0.000 0.453 398 L N 0.566 121.890 121.223 0.168 0.000 2.664 398 L HA 0.123 4.314 4.340 -0.249 0.000 0.233 398 L C 1.909 178.835 176.870 0.095 0.000 1.113 398 L CA 0.180 55.133 54.840 0.189 0.000 0.896 398 L CB -0.112 42.177 42.059 0.384 0.000 1.163 398 L HN 0.341 nan 8.230 nan 0.000 0.497 399 H N 0.986 120.095 119.070 0.063 0.000 2.495 399 H HA -0.073 4.332 4.556 -0.251 0.000 0.287 399 H C 1.560 176.867 175.328 -0.035 0.000 1.033 399 H CA 1.031 57.086 56.048 0.011 0.000 1.307 399 H CB 0.025 29.853 29.762 0.110 0.000 1.401 399 H HN 0.439 nan 8.280 nan 0.000 0.555 400 K N 0.998 121.003 120.400 -0.659 0.000 1.991 400 K HA -0.164 4.007 4.320 -0.249 0.000 0.212 400 K C 2.308 178.723 176.600 -0.309 0.000 1.049 400 K CA 2.049 58.056 56.287 -0.467 0.000 0.932 400 K CB -0.858 31.426 32.500 -0.360 0.000 0.717 400 K HN 0.209 nan 8.250 nan 0.000 0.441 401 T N -0.649 113.700 114.554 -0.341 0.000 2.995 401 T HA -0.026 4.175 4.350 -0.249 0.000 0.269 401 T C -0.128 174.077 174.700 -0.825 0.000 1.091 401 T CA 0.260 62.032 62.100 -0.548 0.000 1.128 401 T CB -0.154 68.350 68.868 -0.606 0.000 0.891 401 T HN 0.226 nan 8.240 nan 0.000 0.492 402 F N 1.964 121.728 119.950 -0.310 0.000 2.676 402 F HA 0.418 4.798 4.527 -0.244 0.000 0.371 402 F C -1.998 173.611 175.800 -0.318 0.000 1.141 402 F CA -2.514 55.224 58.000 -0.436 0.000 1.133 402 F CB 2.002 40.378 39.000 -1.040 0.000 1.376 402 F HN -0.074 nan 8.300 nan 0.000 0.491 403 P HA -0.104 nan 4.420 nan 0.000 0.242 403 P C 0.707 178.099 177.300 0.154 0.000 1.197 403 P CA 0.852 64.012 63.100 0.100 0.000 0.765 403 P CB 0.254 31.994 31.700 0.065 0.000 0.936 404 E N -0.779 119.527 120.200 0.177 0.000 2.158 404 E HA -0.106 4.095 4.350 -0.249 0.000 0.191 404 E C 1.568 178.386 176.600 0.364 0.000 0.982 404 E CA 0.704 57.255 56.400 0.252 0.000 0.823 404 E CB -1.096 28.767 29.700 0.272 0.000 0.766 404 E HN 0.144 nan 8.360 nan 0.000 0.468 405 F N 2.598 122.581 119.950 0.055 0.000 2.126 405 F HA -0.114 4.258 4.527 -0.259 0.000 0.299 405 F C 2.443 178.248 175.800 0.009 0.000 1.096 405 F CA 0.965 58.969 58.000 0.008 0.000 1.255 405 F CB -0.832 38.179 39.000 0.018 0.000 0.997 405 F HN 0.078 nan 8.300 nan 0.000 0.479 406 K N 0.664 121.203 120.400 0.232 0.000 2.062 406 K HA -0.162 4.009 4.320 -0.249 0.000 0.205 406 K C 1.945 178.581 176.600 0.060 0.000 1.051 406 K CA 1.361 57.679 56.287 0.053 0.000 0.941 406 K CB -0.209 32.309 32.500 0.031 0.000 0.719 406 K HN 0.261 nan 8.250 nan 0.000 0.440 407 E N -0.301 119.960 120.200 0.103 0.000 2.150 407 E HA -0.081 4.120 4.350 -0.249 0.000 0.193 407 E C 1.699 178.348 176.600 0.081 0.000 0.985 407 E CA 0.844 57.297 56.400 0.088 0.000 0.814 407 E CB 0.182 29.945 29.700 0.105 0.000 0.752 407 E HN 0.302 nan 8.360 nan 0.000 0.466 408 M N -0.168 119.484 119.600 0.087 0.000 2.441 408 M HA 0.019 4.350 4.480 -0.249 0.000 0.244 408 M C 1.695 178.000 176.300 0.008 0.000 1.122 408 M CA 0.471 55.807 55.300 0.059 0.000 1.041 408 M CB -0.046 32.587 32.600 0.056 0.000 1.438 408 M HN 0.050 nan 8.290 nan 0.000 0.484 409 E N 1.784 121.989 120.200 0.007 0.000 2.113 409 E HA -0.285 3.916 4.350 -0.249 0.000 0.210 409 E C 1.098 177.673 176.600 -0.042 0.000 1.040 409 E CA 2.587 58.972 56.400 -0.025 0.000 0.847 409 E CB 0.137 29.825 29.700 -0.021 0.000 0.755 409 E HN 0.357 nan 8.360 nan 0.000 0.459 410 D N -0.297 120.092 120.400 -0.020 0.000 2.097 410 D HA -0.140 4.350 4.640 -0.249 0.000 0.195 410 D C 2.012 178.277 176.300 -0.058 0.000 0.989 410 D CA 1.543 55.531 54.000 -0.021 0.000 0.827 410 D CB -0.199 40.610 40.800 0.016 0.000 0.966 410 D HN 0.353 nan 8.370 nan 0.000 0.456 411 I N 0.365 120.902 120.570 -0.055 0.000 2.142 411 I HA -0.239 3.781 4.170 -0.249 0.000 0.240 411 I C 2.302 178.238 176.117 -0.301 0.000 1.078 411 I CA 0.825 62.027 61.300 -0.164 0.000 1.343 411 I CB -0.332 37.619 38.000 -0.080 0.000 1.046 411 I HN -0.028 nan 8.210 nan 0.000 0.405 412 I N 0.659 121.109 120.570 -0.200 0.000 2.118 412 I HA -0.329 3.692 4.170 -0.249 0.000 0.241 412 I C 2.544 178.535 176.117 -0.211 0.000 1.070 412 I CA 1.706 62.878 61.300 -0.215 0.000 1.327 412 I CB -0.389 37.500 38.000 -0.186 0.000 1.034 412 I HN 0.198 nan 8.210 nan 0.000 0.405 413 L N 0.014 121.143 121.223 -0.157 0.000 2.017 413 L HA -0.227 3.964 4.340 -0.249 0.000 0.208 413 L C 2.649 179.436 176.870 -0.138 0.000 1.073 413 L CA 1.526 56.294 54.840 -0.121 0.000 0.745 413 L CB -0.677 41.336 42.059 -0.076 0.000 0.894 413 L HN 0.346 nan 8.230 nan 0.000 0.432 414 E N 0.277 120.378 120.200 -0.165 0.000 2.118 414 E HA -0.261 3.940 4.350 -0.249 0.000 0.195 414 E C 2.333 178.782 176.600 -0.253 0.000 0.992 414 E CA 1.274 57.575 56.400 -0.165 0.000 0.804 414 E CB -0.008 29.614 29.700 -0.129 0.000 0.741 414 E HN 0.421 nan 8.360 nan 0.000 0.458 415 M N 0.292 119.630 119.600 -0.437 0.000 2.117 415 M HA -0.196 4.135 4.480 -0.249 0.000 0.262 415 M C 2.140 178.311 176.300 -0.215 0.000 1.065 415 M CA 1.046 56.087 55.300 -0.431 0.000 1.114 415 M CB -0.110 32.191 32.600 -0.498 0.000 1.361 415 M HN 0.211 nan 8.290 nan 0.000 0.408 416 I N 0.160 120.625 120.570 -0.175 0.000 2.202 416 I HA -0.226 3.794 4.170 -0.249 0.000 0.242 416 I C 2.333 178.404 176.117 -0.077 0.000 1.091 416 I CA 1.442 62.675 61.300 -0.112 0.000 1.368 416 I CB -1.549 36.393 38.000 -0.096 0.000 1.058 416 I HN 0.304 nan 8.210 nan 0.000 0.410 417 E N 1.047 121.204 120.200 -0.071 0.000 2.070 417 E HA -0.207 3.994 4.350 -0.249 0.000 0.197 417 E C 2.436 179.023 176.600 -0.023 0.000 1.004 417 E CA 1.145 57.522 56.400 -0.038 0.000 0.805 417 E CB -0.488 29.192 29.700 -0.033 0.000 0.744 417 E HN 0.484 nan 8.360 nan 0.000 0.451 418 L N 0.952 122.155 121.223 -0.035 0.000 2.017 418 L HA -0.163 4.028 4.340 -0.249 0.000 0.208 418 L C 2.430 179.302 176.870 0.004 0.000 1.073 418 L CA 1.141 55.978 54.840 -0.005 0.000 0.745 418 L CB -0.383 41.681 42.059 0.009 0.000 0.894 418 L HN 0.067 nan 8.230 nan 0.000 0.432 419 E N -0.144 120.045 120.200 -0.019 0.000 2.208 419 E HA -0.216 3.985 4.350 -0.249 0.000 0.193 419 E C 1.943 178.559 176.600 0.026 0.000 0.988 419 E CA 0.765 57.161 56.400 -0.006 0.000 0.828 419 E CB 0.105 29.775 29.700 -0.049 0.000 0.763 419 E HN 0.494 nan 8.360 nan 0.000 0.478 420 E N 0.984 121.192 120.200 0.013 0.000 2.107 420 E HA -0.135 4.065 4.350 -0.249 0.000 0.191 420 E C 1.987 178.641 176.600 0.090 0.000 0.982 420 E CA 0.776 57.206 56.400 0.050 0.000 0.809 420 E CB 0.219 29.929 29.700 0.017 0.000 0.756 420 E HN 0.022 nan 8.360 nan 0.000 0.459 421 K N 0.834 121.267 120.400 0.055 0.000 1.973 421 K HA -0.167 4.003 4.320 -0.249 0.000 0.212 421 K C 1.605 178.243 176.600 0.065 0.000 1.047 421 K CA 1.870 58.186 56.287 0.049 0.000 0.937 421 K CB -0.058 32.460 32.500 0.030 0.000 0.721 421 K HN -0.029 nan 8.250 nan 0.000 0.440 422 K N -0.520 119.920 120.400 0.067 0.000 2.743 422 K HA -0.119 4.051 4.320 -0.249 0.000 0.219 422 K C 0.850 177.527 176.600 0.128 0.000 1.003 422 K CA 0.748 57.076 56.287 0.068 0.000 1.156 422 K CB -0.081 32.449 32.500 0.050 0.000 0.932 422 K HN 0.326 nan 8.250 nan 0.000 0.490 423 Y N -0.508 119.787 120.300 -0.008 0.000 2.589 423 Y HA 0.284 4.687 4.550 -0.246 0.000 0.271 423 Y C 2.238 178.138 175.900 -0.001 0.000 1.107 423 Y CA 0.356 58.453 58.100 -0.005 0.000 1.273 423 Y CB 0.474 38.934 38.460 0.000 0.000 1.266 423 Y HN 0.193 nan 8.280 nan 0.000 0.504 424 A N 0.602 123.407 122.820 -0.026 0.000 1.902 424 A HA -0.220 3.951 4.320 -0.249 0.000 0.217 424 A C 2.019 179.532 177.584 -0.118 0.000 1.181 424 A CA 2.046 54.027 52.037 -0.093 0.000 0.623 424 A CB -0.690 18.299 19.000 -0.017 0.000 0.818 424 A HN 0.609 nan 8.150 nan 0.000 0.443 425 E N -0.801 119.357 120.200 -0.071 0.000 2.051 425 E HA -0.159 4.041 4.350 -0.249 0.000 0.192 425 E C 2.020 178.561 176.600 -0.098 0.000 0.991 425 E CA 1.692 58.053 56.400 -0.064 0.000 0.799 425 E CB -0.142 29.541 29.700 -0.028 0.000 0.748 425 E HN 0.586 nan 8.360 nan 0.000 0.449 426 T N 1.502 115.982 114.554 -0.122 0.000 2.759 426 T HA -0.186 4.015 4.350 -0.249 0.000 0.269 426 T C 1.753 176.323 174.700 -0.217 0.000 1.042 426 T CA 1.000 63.017 62.100 -0.137 0.000 1.140 426 T CB -0.199 68.616 68.868 -0.089 0.000 0.864 426 T HN 0.069 nan 8.240 nan 0.000 0.455 427 L N 0.887 121.897 121.223 -0.356 0.000 1.988 427 L HA 0.060 4.251 4.340 -0.249 0.000 0.207 427 L C 2.522 179.281 176.870 -0.186 0.000 1.071 427 L CA 1.631 56.273 54.840 -0.331 0.000 0.744 427 L CB -0.492 41.319 42.059 -0.413 0.000 0.893 427 L HN 0.043 nan 8.230 nan 0.000 0.433 428 R N -0.645 119.766 120.500 -0.149 0.000 2.143 428 R HA -0.272 3.919 4.340 -0.249 0.000 0.239 428 R C 2.424 178.667 176.300 -0.096 0.000 1.126 428 R CA 2.408 58.447 56.100 -0.103 0.000 0.927 428 R CB -0.696 29.557 30.300 -0.080 0.000 0.860 428 R HN 0.365 nan 8.270 nan 0.000 0.433 429 R N 0.214 120.663 120.500 -0.085 0.000 2.091 429 R HA -0.123 4.068 4.340 -0.249 0.000 0.238 429 R C 2.206 178.451 176.300 -0.091 0.000 1.136 429 R CA 1.977 58.036 56.100 -0.069 0.000 0.959 429 R CB -0.579 29.696 30.300 -0.042 0.000 0.856 429 R HN 0.369 nan 8.270 nan 0.000 0.437 430 G N -0.452 108.286 108.800 -0.104 0.000 2.394 430 G HA2 -0.166 3.645 3.960 -0.249 0.000 0.215 430 G HA3 -0.166 3.645 3.960 -0.249 0.000 0.215 430 G C 1.404 176.161 174.900 -0.239 0.000 1.165 430 G CA 0.607 45.625 45.100 -0.137 0.000 0.784 430 G HN 0.368 nan 8.290 nan 0.000 0.535 431 S N 1.229 116.822 115.700 -0.178 0.000 2.359 431 S HA -0.119 4.202 4.470 -0.249 0.000 0.224 431 S C 2.024 176.513 174.600 -0.184 0.000 1.035 431 S CA 1.622 59.721 58.200 -0.169 0.000 1.018 431 S CB -0.277 62.853 63.200 -0.117 0.000 0.876 431 S HN 0.395 nan 8.310 nan 0.000 0.448 432 D N 1.378 121.685 120.400 -0.155 0.000 2.117 432 D HA 0.009 4.500 4.640 -0.249 0.000 0.198 432 D C 1.923 178.120 176.300 -0.173 0.000 0.982 432 D CA 0.491 54.410 54.000 -0.135 0.000 0.828 432 D CB -0.566 40.176 40.800 -0.097 0.000 0.967 432 D HN 0.224 nan 8.370 nan 0.000 0.464 433 L N 0.819 121.912 121.223 -0.216 0.000 2.043 433 L HA -0.189 4.002 4.340 -0.249 0.000 0.212 433 L C 2.447 179.080 176.870 -0.395 0.000 1.075 433 L CA 1.166 55.845 54.840 -0.269 0.000 0.752 433 L CB -0.173 41.709 42.059 -0.293 0.000 0.891 433 L HN 0.067 nan 8.230 nan 0.000 0.432 434 V N -3.086 116.504 119.914 -0.540 0.000 2.331 434 V HA -0.180 3.791 4.120 -0.249 0.000 0.242 434 V C 2.524 178.418 176.094 -0.333 0.000 1.034 434 V CA 1.367 63.286 62.300 -0.635 0.000 1.027 434 V CB -0.844 30.414 31.823 -0.942 0.000 0.667 434 V HN 0.401 nan 8.190 nan 0.000 0.457 435 R N 0.221 120.581 120.500 -0.234 0.000 2.153 435 R HA -0.240 3.951 4.340 -0.249 0.000 0.252 435 R C 2.543 178.787 176.300 -0.095 0.000 1.158 435 R CA 2.212 58.237 56.100 -0.126 0.000 0.975 435 R CB -0.289 29.950 30.300 -0.102 0.000 0.871 435 R HN 0.572 nan 8.270 nan 0.000 0.450 436 R N 0.466 120.898 120.500 -0.113 0.000 2.126 436 R HA -0.168 4.022 4.340 -0.249 0.000 0.224 436 R C 2.156 178.422 176.300 -0.057 0.000 1.128 436 R CA 2.066 58.119 56.100 -0.078 0.000 0.895 436 R CB -0.442 29.809 30.300 -0.080 0.000 0.817 436 R HN 0.474 nan 8.270 nan 0.000 0.435 437 E N 0.722 120.878 120.200 -0.074 0.000 2.501 437 E HA -0.185 4.016 4.350 -0.249 0.000 0.203 437 E C 1.612 178.248 176.600 0.060 0.000 1.072 437 E CA 0.875 57.272 56.400 -0.005 0.000 0.885 437 E CB -0.195 29.514 29.700 0.014 0.000 0.813 437 E HN 0.461 nan 8.360 nan 0.000 0.556 438 I N 1.163 121.747 120.570 0.023 0.000 2.296 438 I HA -0.134 3.886 4.170 -0.249 0.000 0.242 438 I C 2.600 178.743 176.117 0.043 0.000 1.087 438 I CA 0.929 62.275 61.300 0.076 0.000 1.393 438 I CB -0.206 37.830 38.000 0.059 0.000 1.093 438 I HN 0.206 nan 8.210 nan 0.000 0.421 439 A N 0.736 123.563 122.820 0.012 0.000 1.940 439 A HA -0.288 3.882 4.320 -0.249 0.000 0.219 439 A C 2.330 179.921 177.584 0.012 0.000 1.176 439 A CA 1.989 54.030 52.037 0.007 0.000 0.631 439 A CB -0.647 18.349 19.000 -0.007 0.000 0.814 439 A HN 0.395 nan 8.150 nan 0.000 0.446 440 K N -0.237 120.172 120.400 0.015 0.000 2.089 440 K HA -0.186 3.985 4.320 -0.249 0.000 0.210 440 K C 1.722 178.339 176.600 0.028 0.000 1.048 440 K CA 1.951 58.251 56.287 0.021 0.000 0.926 440 K CB -0.310 32.207 32.500 0.028 0.000 0.714 440 K HN 0.523 nan 8.250 nan 0.000 0.448 441 L N 0.462 121.709 121.223 0.040 0.000 2.202 441 L HA -0.024 4.166 4.340 -0.249 0.000 0.205 441 L C 2.686 179.571 176.870 0.026 0.000 1.083 441 L CA 0.610 55.474 54.840 0.039 0.000 0.790 441 L CB -0.434 41.659 42.059 0.057 0.000 0.942 441 L HN 0.215 nan 8.230 nan 0.000 0.452 442 K N 1.981 122.396 120.400 0.025 0.000 2.020 442 K HA -0.228 3.943 4.320 -0.249 0.000 0.212 442 K C 1.727 178.333 176.600 0.010 0.000 1.050 442 K CA 1.917 58.214 56.287 0.016 0.000 0.929 442 K CB -0.082 32.426 32.500 0.013 0.000 0.714 442 K HN 0.266 nan 8.250 nan 0.000 0.443 443 K N 0.323 120.728 120.400 0.010 0.000 2.504 443 K HA -0.011 4.160 4.320 -0.249 0.000 0.199 443 K C 0.768 177.373 176.600 0.008 0.000 1.028 443 K CA 0.482 56.773 56.287 0.007 0.000 1.164 443 K CB 0.433 32.936 32.500 0.004 0.000 0.877 443 K HN -0.054 nan 8.250 nan 0.000 0.508 444 K N 0.886 121.292 120.400 0.011 0.000 2.373 444 K HA 0.134 4.305 4.320 -0.249 0.000 0.202 444 K C -0.031 176.574 176.600 0.008 0.000 1.025 444 K CA 0.410 56.703 56.287 0.011 0.000 1.115 444 K CB 0.534 33.043 32.500 0.015 0.000 0.858 444 K HN 0.415 nan 8.250 nan 0.000 0.525 445 G N 1.699 110.503 108.800 0.007 0.000 2.473 445 G HA2 -0.211 3.600 3.960 -0.249 0.000 0.289 445 G HA3 -0.211 3.600 3.960 -0.249 0.000 0.289 445 G C -0.444 174.458 174.900 0.004 0.000 1.084 445 G CA 0.142 45.245 45.100 0.005 0.000 1.215 445 G HN 0.255 nan 8.290 nan 0.000 0.527 446 I N -0.427 120.146 120.570 0.005 0.000 2.563 446 I HA 0.295 4.316 4.170 -0.249 0.000 0.285 446 I C 0.662 176.781 176.117 0.004 0.000 1.123 446 I CA -0.769 60.533 61.300 0.004 0.000 1.059 446 I CB 1.885 39.889 38.000 0.006 0.000 1.229 446 I HN 0.161 nan 8.210 nan 0.000 0.442 447 K N 3.217 123.616 120.400 -0.000 0.000 2.358 447 K HA 0.068 4.239 4.320 -0.249 0.000 0.200 447 K C 0.664 177.262 176.600 -0.004 0.000 1.030 447 K CA 0.312 56.598 56.287 -0.001 0.000 1.097 447 K CB 0.617 33.116 32.500 -0.002 0.000 0.862 447 K HN 0.534 nan 8.250 nan 0.000 0.534 448 E N 0.062 120.257 120.200 -0.008 0.000 2.419 448 E HA 0.174 4.375 4.350 -0.249 0.000 0.197 448 E C -0.020 176.566 176.600 -0.023 0.000 0.920 448 E CA -0.181 56.210 56.400 -0.015 0.000 1.085 448 E CB 0.548 30.238 29.700 -0.017 0.000 1.084 448 E HN -0.088 nan 8.360 nan 0.000 0.490 449 I N 2.467 123.019 120.570 -0.030 0.000 6.943 449 I HA -0.091 3.930 4.170 -0.249 0.000 0.126 449 I C -2.546 173.526 176.117 -0.076 0.000 1.832 449 I CA -0.498 60.767 61.300 -0.058 0.000 2.037 449 I CB -1.318 36.644 38.000 -0.063 0.000 3.569 449 I HN 0.191 nan 8.210 nan 0.000 0.169 450 P HA 0.218 nan 4.420 nan 0.000 0.270 450 P C 1.097 178.345 177.300 -0.087 0.000 1.223 450 P CA -0.263 62.795 63.100 -0.070 0.000 0.785 450 P CB 1.177 32.839 31.700 -0.063 0.000 0.923 451 V N 0.601 120.489 119.914 -0.043 0.000 2.453 451 V HA -0.153 3.818 4.120 -0.249 0.000 0.247 451 V C 2.541 178.640 176.094 0.009 0.000 1.048 451 V CA 1.526 63.825 62.300 -0.003 0.000 1.049 451 V CB -1.095 30.753 31.823 0.042 0.000 0.672 451 V HN 0.568 nan 8.190 nan 0.000 0.457 452 E N 0.507 120.695 120.200 -0.019 0.000 2.114 452 E HA -0.297 3.904 4.350 -0.249 0.000 0.199 452 E C 2.201 178.759 176.600 -0.069 0.000 1.008 452 E CA 1.608 57.992 56.400 -0.027 0.000 0.810 452 E CB -0.078 29.603 29.700 -0.032 0.000 0.739 452 E HN 0.434 nan 8.360 nan 0.000 0.456 453 K N 0.354 120.652 120.400 -0.169 0.000 2.186 453 K HA 0.080 4.251 4.320 -0.249 0.000 0.202 453 K C 2.124 178.367 176.600 -0.596 0.000 1.052 453 K CA 0.131 56.187 56.287 -0.385 0.000 0.965 453 K CB -0.160 32.056 32.500 -0.474 0.000 0.746 453 K HN 0.047 nan 8.250 nan 0.000 0.457 454 L N -0.160 120.867 121.223 -0.327 0.000 2.131 454 L HA -0.191 4.000 4.340 -0.249 0.000 0.210 454 L C 1.895 178.877 176.870 0.187 0.000 1.092 454 L CA 0.943 55.697 54.840 -0.145 0.000 0.759 454 L CB -0.215 41.779 42.059 -0.107 0.000 0.903 454 L HN 0.026 nan 8.230 nan 0.000 0.435 455 V N -0.320 119.716 119.914 0.203 0.000 2.307 455 V HA -0.265 3.706 4.120 -0.249 0.000 0.245 455 V C 2.552 178.800 176.094 0.257 0.000 1.045 455 V CA 2.309 64.758 62.300 0.249 0.000 1.024 455 V CB -0.636 31.249 31.823 0.104 0.000 0.651 455 V HN 0.583 nan 8.190 nan 0.000 0.449 456 T N -0.916 113.741 114.554 0.171 0.000 2.833 456 T HA -0.169 4.032 4.350 -0.249 0.000 0.269 456 T C 1.788 176.749 174.700 0.436 0.000 1.054 456 T CA 1.426 63.664 62.100 0.230 0.000 1.135 456 T CB -0.564 68.412 68.868 0.179 0.000 0.869 456 T HN 0.437 nan 8.240 nan 0.000 0.466 457 F N -0.189 119.892 119.950 0.218 0.000 2.269 457 F HA -0.036 4.341 4.527 -0.250 0.000 0.301 457 F C 2.362 178.326 175.800 0.272 0.000 1.082 457 F CA 0.582 58.739 58.000 0.262 0.000 1.360 457 F CB -0.236 38.874 39.000 0.183 0.000 1.041 457 F HN 0.145 nan 8.300 nan 0.000 0.512 458 Y N 0.983 121.515 120.300 0.387 0.000 2.231 458 Y HA -0.111 4.288 4.550 -0.251 0.000 0.294 458 Y C 2.234 178.268 175.900 0.223 0.000 1.120 458 Y CA 1.342 59.618 58.100 0.294 0.000 1.141 458 Y CB -0.420 38.218 38.460 0.296 0.000 1.022 458 Y HN -0.085 nan 8.280 nan 0.000 0.523 459 E N -0.118 120.236 120.200 0.256 0.000 2.049 459 E HA -0.221 3.979 4.350 -0.249 0.000 0.198 459 E C 2.192 178.783 176.600 -0.015 0.000 1.007 459 E CA 2.523 59.015 56.400 0.154 0.000 0.809 459 E CB -0.145 29.646 29.700 0.152 0.000 0.749 459 E HN 0.549 nan 8.360 nan 0.000 0.450 460 S N -1.589 114.077 115.700 -0.057 0.000 2.497 460 S HA 0.052 4.372 4.470 -0.249 0.000 0.218 460 S C 1.375 175.730 174.600 -0.409 0.000 1.023 460 S CA 0.064 58.117 58.200 -0.244 0.000 0.913 460 S CB 0.132 63.139 63.200 -0.320 0.000 0.800 460 S HN 0.274 nan 8.310 nan 0.000 0.505 461 H N 0.585 119.632 119.070 -0.038 0.000 3.058 461 H HA 0.351 4.758 4.556 -0.248 0.000 0.258 461 H C 1.527 176.801 175.328 -0.090 0.000 1.015 461 H CA 0.415 56.421 56.048 -0.071 0.000 1.210 461 H CB 0.618 30.321 29.762 -0.098 0.000 1.481 461 H HN 0.550 nan 8.280 nan 0.000 0.492 462 G N 1.720 110.473 108.800 -0.078 0.000 2.160 462 G HA2 -0.235 3.576 3.960 -0.249 0.000 0.244 462 G HA3 -0.235 3.576 3.960 -0.249 0.000 0.244 462 G C -0.057 174.915 174.900 0.120 0.000 1.022 462 G CA 0.052 45.037 45.100 -0.192 0.000 0.741 462 G HN 0.208 nan 8.290 nan 0.000 0.508 463 L N 1.679 123.027 121.223 0.208 0.000 2.296 463 L HA 0.500 4.691 4.340 -0.249 0.000 0.286 463 L C 1.194 178.339 176.870 0.459 0.000 1.023 463 L CA -0.422 54.595 54.840 0.295 0.000 0.812 463 L CB 1.499 43.656 42.059 0.164 0.000 1.223 463 L HN 0.362 nan 8.230 nan 0.000 0.421 464 T N -0.560 114.259 114.554 0.441 0.000 2.899 464 T HA 0.203 4.404 4.350 -0.249 0.000 0.295 464 T C -1.571 173.226 174.700 0.162 0.000 1.033 464 T CA -1.550 60.774 62.100 0.373 0.000 1.084 464 T CB 1.168 70.279 68.868 0.406 0.000 0.979 464 T HN 0.431 nan 8.240 nan 0.000 0.532 465 P HA -0.153 nan 4.420 nan 0.000 0.220 465 P C 1.256 178.514 177.300 -0.070 0.000 1.148 465 P CA 1.238 64.219 63.100 -0.199 0.000 0.803 465 P CB 0.068 31.378 31.700 -0.651 0.000 0.782 466 E N 0.494 120.696 120.200 0.003 0.000 2.160 466 E HA -0.176 4.024 4.350 -0.249 0.000 0.195 466 E C 1.975 178.603 176.600 0.047 0.000 0.991 466 E CA 1.193 57.617 56.400 0.039 0.000 0.810 466 E CB -1.299 28.459 29.700 0.096 0.000 0.742 466 E HN 0.229 nan 8.360 nan 0.000 0.466 467 I N 0.780 121.397 120.570 0.077 0.000 2.193 467 I HA -0.182 3.839 4.170 -0.249 0.000 0.240 467 I C 2.241 178.383 176.117 0.041 0.000 1.084 467 I CA 0.633 61.970 61.300 0.062 0.000 1.365 467 I CB -0.181 37.869 38.000 0.084 0.000 1.064 467 I HN 0.028 nan 8.210 nan 0.000 0.410 468 V N 2.052 122.004 119.914 0.063 0.000 2.794 468 V HA -0.281 3.690 4.120 -0.249 0.000 0.260 468 V C 2.376 178.500 176.094 0.050 0.000 1.103 468 V CA 2.200 64.551 62.300 0.085 0.000 1.125 468 V CB -1.143 30.797 31.823 0.195 0.000 0.702 468 V HN 0.560 nan 8.190 nan 0.000 0.494 469 K N 1.788 122.197 120.400 0.016 0.000 2.128 469 K HA -0.098 4.073 4.320 -0.249 0.000 0.202 469 K C 1.750 178.351 176.600 0.001 0.000 1.050 469 K CA 1.333 57.620 56.287 0.001 0.000 0.966 469 K CB -0.634 31.854 32.500 -0.020 0.000 0.759 469 K HN 0.553 nan 8.250 nan 0.000 0.454 470 E N 0.694 120.895 120.200 0.002 0.000 2.515 470 E HA -0.069 4.132 4.350 -0.249 0.000 0.201 470 E C 1.406 178.002 176.600 -0.007 0.000 1.071 470 E CA 0.661 57.059 56.400 -0.003 0.000 0.880 470 E CB -0.252 29.447 29.700 -0.001 0.000 0.828 470 E HN 0.471 nan 8.360 nan 0.000 0.540 471 I N 0.540 121.107 120.570 -0.005 0.000 3.194 471 I HA 0.055 4.076 4.170 -0.249 0.000 0.271 471 I C 2.327 178.441 176.117 -0.004 0.000 1.150 471 I CA 0.646 61.938 61.300 -0.014 0.000 1.440 471 I CB 0.168 38.151 38.000 -0.028 0.000 1.276 471 I HN 0.132 nan 8.210 nan 0.000 0.457 472 A N 0.840 123.667 122.820 0.012 0.000 2.067 472 A HA -0.160 4.010 4.320 -0.249 0.000 0.217 472 A C 2.069 179.657 177.584 0.006 0.000 1.156 472 A CA 1.524 53.573 52.037 0.019 0.000 0.683 472 A CB -0.555 18.469 19.000 0.041 0.000 0.808 472 A HN 0.604 nan 8.150 nan 0.000 0.455 473 E N 0.056 120.257 120.200 0.000 0.000 2.122 473 E HA -0.103 4.097 4.350 -0.249 0.000 0.190 473 E C 1.723 178.318 176.600 -0.007 0.000 0.977 473 E CA 0.928 57.325 56.400 -0.005 0.000 0.820 473 E CB -0.426 29.268 29.700 -0.009 0.000 0.770 473 E HN 0.437 nan 8.360 nan 0.000 0.462 474 K N 1.554 121.950 120.400 -0.008 0.000 2.675 474 K HA -0.148 4.023 4.320 -0.249 0.000 0.194 474 K C -0.026 176.568 176.600 -0.010 0.000 1.029 474 K CA 1.262 57.542 56.287 -0.011 0.000 0.980 474 K CB -0.081 32.410 32.500 -0.014 0.000 0.803 474 K HN 0.495 nan 8.250 nan 0.000 0.493 475 E N -2.277 117.919 120.200 -0.007 0.000 3.632 475 E HA 0.111 4.312 4.350 -0.249 0.000 0.149 475 E C 0.112 176.711 176.600 -0.002 0.000 0.970 475 E CA -0.001 56.396 56.400 -0.006 0.000 1.498 475 E CB 0.036 29.732 29.700 -0.007 0.000 1.095 475 E HN 0.155 nan 8.360 nan 0.000 0.399 476 G N 0.370 109.168 108.800 -0.003 0.000 2.176 476 G HA2 -0.261 3.550 3.960 -0.249 0.000 0.252 476 G HA3 -0.261 3.550 3.960 -0.249 0.000 0.252 476 G C 0.120 175.019 174.900 -0.001 0.000 1.024 476 G CA 0.435 45.533 45.100 -0.003 0.000 0.755 476 G HN 0.356 nan 8.290 nan 0.000 0.507 477 V N -0.753 119.162 119.914 0.001 0.000 3.113 477 V HA 0.752 4.723 4.120 -0.249 0.000 0.316 477 V C 0.019 176.111 176.094 -0.002 0.000 1.125 477 V CA -1.450 60.852 62.300 0.003 0.000 1.026 477 V CB 2.065 33.896 31.823 0.013 0.000 1.080 477 V HN 0.144 nan 8.190 nan 0.000 0.444 478 K N 1.043 121.439 120.400 -0.007 0.000 2.138 478 K HA 0.455 4.626 4.320 -0.249 0.000 0.263 478 K C -0.598 175.988 176.600 -0.023 0.000 0.965 478 K CA -0.589 55.689 56.287 -0.015 0.000 0.868 478 K CB 2.140 34.630 32.500 -0.017 0.000 1.083 478 K HN 0.487 nan 8.250 nan 0.000 0.443 479 V N 4.057 123.955 119.914 -0.028 0.000 2.229 479 V HA 0.102 4.072 4.120 -0.249 0.000 0.245 479 V C -0.499 175.566 176.094 -0.049 0.000 1.243 479 V CA 0.040 62.317 62.300 -0.039 0.000 1.176 479 V CB -1.222 30.581 31.823 -0.033 0.000 1.323 479 V HN 0.609 nan 8.190 nan 0.000 0.499 480 N N 6.142 124.806 118.700 -0.061 0.000 2.976 480 N HA 0.433 5.024 4.740 -0.249 0.000 0.255 480 N C -0.642 174.813 175.510 -0.092 0.000 1.312 480 N CA -0.487 52.526 53.050 -0.062 0.000 0.897 480 N CB 0.814 39.274 38.487 -0.045 0.000 1.184 480 N HN 0.597 nan 8.380 nan 0.000 0.497 481 I N 2.170 122.675 120.570 -0.108 0.000 2.452 481 I HA 0.204 4.225 4.170 -0.249 0.000 0.287 481 I C -1.854 174.217 176.117 -0.076 0.000 1.079 481 I CA -1.646 59.556 61.300 -0.164 0.000 1.387 481 I CB 0.163 38.063 38.000 -0.167 0.000 1.404 481 I HN 0.114 nan 8.210 nan 0.000 0.522 482 P HA 0.081 nan 4.420 nan 0.000 0.271 482 P C 0.056 177.403 177.300 0.078 0.000 1.216 482 P CA -0.259 62.868 63.100 0.044 0.000 0.776 482 P CB 0.653 32.415 31.700 0.104 0.000 0.881 483 D N 1.616 122.062 120.400 0.077 0.000 2.144 483 D HA -0.142 4.349 4.640 -0.249 0.000 0.199 483 D C 0.813 177.193 176.300 0.134 0.000 0.984 483 D CA 1.489 55.547 54.000 0.097 0.000 0.834 483 D CB -0.489 40.357 40.800 0.076 0.000 0.955 483 D HN 0.535 nan 8.370 nan 0.000 0.465 484 N N 0.174 118.941 118.700 0.113 0.000 2.410 484 N HA -0.039 4.551 4.740 -0.249 0.000 0.231 484 N C 0.940 176.510 175.510 0.102 0.000 1.172 484 N CA -0.302 52.808 53.050 0.100 0.000 0.849 484 N CB -0.614 37.906 38.487 0.055 0.000 1.116 484 N HN -0.001 nan 8.380 nan 0.000 0.485 485 F N 0.970 120.894 119.950 -0.044 0.000 2.046 485 F HA -0.129 4.251 4.527 -0.245 0.000 0.297 485 F C 1.401 177.096 175.800 -0.176 0.000 1.123 485 F CA 1.523 59.419 58.000 -0.174 0.000 1.199 485 F CB -0.426 38.362 39.000 -0.353 0.000 0.972 485 F HN 0.056 nan 8.300 nan 0.000 0.474 486 Y N 0.368 120.664 120.300 -0.007 0.000 2.256 486 Y HA -0.262 4.138 4.550 -0.251 0.000 0.288 486 Y C 2.953 178.766 175.900 -0.145 0.000 1.155 486 Y CA 1.600 59.623 58.100 -0.128 0.000 1.203 486 Y CB -0.890 37.581 38.460 0.018 0.000 0.980 486 Y HN 0.231 nan 8.280 nan 0.000 0.530 487 S N -0.224 115.509 115.700 0.056 0.000 2.371 487 S HA -0.265 4.056 4.470 -0.249 0.000 0.224 487 S C 2.052 176.616 174.600 -0.060 0.000 1.029 487 S CA 1.063 59.284 58.200 0.035 0.000 0.978 487 S CB -0.770 62.459 63.200 0.048 0.000 0.833 487 S HN 0.570 nan 8.310 nan 0.000 0.466 488 M N 1.395 120.918 119.600 -0.128 0.000 2.144 488 M HA -0.074 4.256 4.480 -0.249 0.000 0.260 488 M C 1.873 178.023 176.300 -0.250 0.000 1.067 488 M CA 1.644 56.842 55.300 -0.170 0.000 1.095 488 M CB -0.346 32.149 32.600 -0.175 0.000 1.365 488 M HN 0.275 nan 8.290 nan 0.000 0.406 489 V N 0.559 120.220 119.914 -0.422 0.000 2.453 489 V HA -0.153 3.818 4.120 -0.249 0.000 0.247 489 V C 2.647 178.673 176.094 -0.113 0.000 1.048 489 V CA 1.624 63.685 62.300 -0.398 0.000 1.049 489 V CB -1.072 30.298 31.823 -0.755 0.000 0.672 489 V HN 0.657 nan 8.190 nan 0.000 0.457 490 A N -0.128 122.648 122.820 -0.074 0.000 1.933 490 A HA -0.181 3.990 4.320 -0.249 0.000 0.218 490 A C 2.184 179.749 177.584 -0.031 0.000 1.175 490 A CA 1.365 53.404 52.037 0.002 0.000 0.628 490 A CB -0.369 18.636 19.000 0.009 0.000 0.814 490 A HN 0.414 nan 8.150 nan 0.000 0.444 491 K N 0.566 120.929 120.400 -0.061 0.000 2.218 491 K HA -0.131 4.040 4.320 -0.249 0.000 0.205 491 K C 0.579 177.104 176.600 -0.126 0.000 1.046 491 K CA 0.834 57.071 56.287 -0.083 0.000 0.933 491 K CB -0.338 32.118 32.500 -0.075 0.000 0.728 491 K HN 0.447 nan 8.250 nan 0.000 0.454 492 E N 0.371 120.483 120.200 -0.146 0.000 2.352 492 E HA 0.003 4.204 4.350 -0.249 0.000 0.197 492 E C 0.631 176.946 176.600 -0.474 0.000 1.224 492 E CA 0.081 56.338 56.400 -0.238 0.000 1.118 492 E CB -0.301 29.295 29.700 -0.173 0.000 1.198 492 E HN 0.223 nan 8.360 nan 0.000 0.454 493 A N 1.222 123.819 122.820 -0.372 0.000 2.500 493 A HA 0.076 4.247 4.320 -0.249 0.000 0.267 493 A C 0.269 177.701 177.584 -0.254 0.000 1.290 493 A CA -0.261 51.523 52.037 -0.421 0.000 0.928 493 A CB 0.187 19.041 19.000 -0.243 0.000 1.066 493 A HN 0.090 nan 8.150 nan 0.000 0.516 494 E N -0.365 119.711 120.200 -0.207 0.000 2.331 494 E HA 0.568 4.769 4.350 -0.249 0.000 0.275 494 E C -1.239 175.288 176.600 -0.122 0.000 0.895 494 E CA -0.955 55.359 56.400 -0.144 0.000 0.753 494 E CB 1.381 31.012 29.700 -0.116 0.000 1.216 494 E HN 0.073 nan 8.360 nan 0.000 0.434 495 R N 0.700 121.140 120.500 -0.099 0.000 2.674 495 R HA 0.521 4.712 4.340 -0.249 0.000 0.266 495 R C -0.526 175.734 176.300 -0.067 0.000 1.016 495 R CA 0.739 56.792 56.100 -0.079 0.000 1.062 495 R CB 0.600 30.859 30.300 -0.068 0.000 1.142 495 R HN 0.801 nan 8.270 nan 0.000 0.517 505 V N -0.194 119.602 119.914 -0.195 0.000 2.502 505 V HA 0.340 4.310 4.120 -0.249 0.000 0.234 505 V C -0.448 175.529 176.094 -0.196 0.000 1.072 505 V CA 1.181 63.357 62.300 -0.208 0.000 1.094 505 V CB 0.743 32.383 31.823 -0.304 0.000 0.761 505 V HN 0.630 nan 8.190 nan 0.000 0.489 506 D N -0.823 119.463 120.400 -0.190 0.000 2.927 506 D HA 0.396 4.887 4.640 -0.249 0.000 0.219 506 D C -1.457 174.939 176.300 0.161 0.000 1.248 506 D CA -0.078 53.913 54.000 -0.016 0.000 0.861 506 D CB 2.118 42.745 40.800 -0.288 0.000 1.677 506 D HN 0.375 nan 8.370 nan 0.000 0.511 507 F N -0.255 119.628 119.950 -0.112 0.000 2.664 507 F HA 0.667 5.046 4.527 -0.248 0.000 0.317 507 F C 0.889 176.661 175.800 -0.047 0.000 1.108 507 F CA -0.827 57.127 58.000 -0.076 0.000 0.957 507 F CB 2.187 41.150 39.000 -0.061 0.000 1.365 507 F HN 0.427 nan 8.300 nan 0.000 0.475 508 E N 0.218 120.384 120.200 -0.057 0.000 3.819 508 E HA -0.242 3.959 4.350 -0.249 0.000 0.185 508 E C 0.862 177.408 176.600 -0.089 0.000 1.099 508 E CA 1.782 58.087 56.400 -0.160 0.000 2.416 508 E CB -1.554 27.911 29.700 -0.393 0.000 1.717 508 E HN 0.710 nan 8.360 nan 0.000 0.459 509 L N 1.393 122.552 121.223 -0.106 0.000 2.563 509 L HA -0.133 4.058 4.340 -0.249 0.000 0.230 509 L C 2.102 178.959 176.870 -0.023 0.000 1.162 509 L CA 1.322 56.127 54.840 -0.057 0.000 0.812 509 L CB -0.576 41.453 42.059 -0.050 0.000 0.935 509 L HN 0.278 nan 8.230 nan 0.000 0.451 510 L N -1.272 119.942 121.223 -0.016 0.000 2.307 510 L HA -0.026 4.165 4.340 -0.249 0.000 0.211 510 L C 2.110 178.985 176.870 0.010 0.000 1.099 510 L CA 0.810 55.652 54.840 0.003 0.000 0.816 510 L CB -0.396 41.665 42.059 0.004 0.000 0.952 510 L HN -0.010 nan 8.230 nan 0.000 0.455 511 K N 0.509 120.914 120.400 0.007 0.000 2.643 511 K HA -0.113 4.058 4.320 -0.249 0.000 0.193 511 K C 1.240 177.848 176.600 0.014 0.000 1.027 511 K CA 0.674 56.970 56.287 0.015 0.000 1.033 511 K CB -0.325 32.184 32.500 0.016 0.000 0.827 511 K HN 0.470 nan 8.250 nan 0.000 0.500 512 D N -1.325 119.082 120.400 0.012 0.000 2.423 512 D HA -0.040 4.450 4.640 -0.249 0.000 0.212 512 D C 0.467 176.778 176.300 0.019 0.000 1.060 512 D CA -0.063 53.946 54.000 0.014 0.000 0.872 512 D CB -0.035 40.771 40.800 0.010 0.000 1.012 512 D HN 0.098 nan 8.370 nan 0.000 0.503 513 L N 2.154 123.390 121.223 0.022 0.000 2.452 513 L HA 0.286 4.476 4.340 -0.249 0.000 0.267 513 L C -1.770 175.116 176.870 0.028 0.000 1.188 513 L CA -1.536 53.320 54.840 0.027 0.000 0.821 513 L CB 0.231 42.310 42.059 0.033 0.000 1.102 513 L HN -0.042 nan 8.230 nan 0.000 0.470 514 P HA 0.160 nan 4.420 nan 0.000 0.279 514 P C -1.362 175.957 177.300 0.031 0.000 1.239 514 P CA -0.678 62.438 63.100 0.027 0.000 0.789 514 P CB 0.508 32.224 31.700 0.026 0.000 0.933 515 D N 0.342 120.758 120.400 0.026 0.000 2.515 515 D HA 0.032 4.523 4.640 -0.249 0.000 0.232 515 D C 0.132 176.451 176.300 0.032 0.000 1.157 515 D CA 0.716 54.733 54.000 0.027 0.000 0.871 515 D CB -0.427 40.384 40.800 0.018 0.000 1.200 515 D HN 0.208 nan 8.370 nan 0.000 0.466 516 T N 1.878 116.456 114.554 0.039 0.000 2.794 516 T HA 0.106 4.307 4.350 -0.249 0.000 0.296 516 T C 0.545 175.251 174.700 0.011 0.000 0.949 516 T CA -0.537 61.592 62.100 0.049 0.000 1.101 516 T CB 0.557 69.475 68.868 0.084 0.000 0.905 516 T HN 0.277 nan 8.240 nan 0.000 0.516 517 R N 2.912 123.412 120.500 -0.000 0.000 2.438 517 R HA 0.200 4.390 4.340 -0.249 0.000 0.287 517 R C -0.412 175.818 176.300 -0.117 0.000 1.077 517 R CA -0.379 55.694 56.100 -0.044 0.000 1.034 517 R CB 0.453 30.738 30.300 -0.024 0.000 0.993 517 R HN 0.568 nan 8.270 nan 0.000 0.459 518 R N 5.268 125.637 120.500 -0.219 0.000 2.280 518 R HA 0.175 4.366 4.340 -0.249 0.000 0.326 518 R C 0.816 176.790 176.300 -0.543 0.000 1.080 518 R CA -0.270 55.488 56.100 -0.571 0.000 1.002 518 R CB 0.839 30.592 30.300 -0.912 0.000 1.136 518 R HN 0.651 nan 8.270 nan 0.000 0.509 519 L N 2.087 123.058 121.223 -0.421 0.000 2.156 519 L HA -0.149 4.042 4.340 -0.249 0.000 0.208 519 L C 1.743 178.528 176.870 -0.142 0.000 1.095 519 L CA 1.105 55.815 54.840 -0.218 0.000 0.770 519 L CB -0.361 41.573 42.059 -0.208 0.000 0.914 519 L HN 0.686 nan 8.230 nan 0.000 0.439 520 Y N -2.879 117.389 120.300 -0.054 0.000 2.403 520 Y HA -0.179 4.221 4.550 -0.250 0.000 0.291 520 Y C 1.958 177.931 175.900 0.122 0.000 1.143 520 Y CA 0.515 58.603 58.100 -0.019 0.000 1.257 520 Y CB -1.123 37.306 38.460 -0.053 0.000 0.984 520 Y HN 0.021 nan 8.280 nan 0.000 0.550 521 Y N 1.120 121.295 120.300 -0.209 0.000 2.529 521 Y HA 0.112 4.513 4.550 -0.249 0.000 0.290 521 Y C 1.359 177.332 175.900 0.122 0.000 1.177 521 Y CA -0.119 57.983 58.100 0.004 0.000 1.305 521 Y CB -0.214 38.266 38.460 0.034 0.000 1.047 521 Y HN 0.488 nan 8.280 nan 0.000 0.522 522 E N -1.475 118.869 120.200 0.239 0.000 2.441 522 E HA 0.030 4.230 4.350 -0.249 0.000 0.207 522 E C -0.305 176.451 176.600 0.260 0.000 0.803 522 E CA 0.149 56.698 56.400 0.249 0.000 1.240 522 E CB 0.705 30.503 29.700 0.163 0.000 1.233 522 E HN -0.021 nan 8.360 nan 0.000 0.590 523 D N 0.764 121.285 120.400 0.203 0.000 2.505 523 D HA 0.132 4.622 4.640 -0.249 0.000 0.250 523 D C -2.067 174.322 176.300 0.148 0.000 1.164 523 D CA -2.314 51.825 54.000 0.232 0.000 0.870 523 D CB 1.816 42.751 40.800 0.225 0.000 1.160 523 D HN -0.168 nan 8.370 nan 0.000 0.549 524 P HA 0.042 nan 4.420 nan 0.000 0.241 524 P C 0.722 177.894 177.300 -0.214 0.000 1.191 524 P CA 0.320 63.290 63.100 -0.217 0.000 0.771 524 P CB 0.090 31.492 31.700 -0.496 0.000 0.929 525 F N -1.242 118.858 119.950 0.250 0.000 2.714 525 F HA 0.297 4.675 4.527 -0.248 0.000 0.294 525 F C 1.626 177.547 175.800 0.202 0.000 1.120 525 F CA -0.216 57.979 58.000 0.325 0.000 1.398 525 F CB -0.305 38.816 39.000 0.202 0.000 1.120 525 F HN -0.162 nan 8.300 nan 0.000 0.589 526 M N 3.180 122.956 119.600 0.292 0.000 2.227 526 M HA 0.074 4.404 4.480 -0.249 0.000 0.349 526 M C 1.063 177.448 176.300 0.142 0.000 1.443 526 M CA 0.268 55.663 55.300 0.159 0.000 1.110 526 M CB 0.569 33.245 32.600 0.128 0.000 1.773 526 M HN 0.244 nan 8.290 nan 0.000 0.463 527 K N 3.695 124.123 120.400 0.046 0.000 2.374 527 K HA 0.287 4.458 4.320 -0.249 0.000 0.202 527 K C -0.629 176.006 176.600 0.058 0.000 1.040 527 K CA -0.027 56.296 56.287 0.059 0.000 1.085 527 K CB 0.684 33.152 32.500 -0.053 0.000 0.873 527 K HN 0.703 nan 8.250 nan 0.000 0.539 528 E N 0.997 121.247 120.200 0.084 0.000 2.246 528 E HA 0.343 4.543 4.350 -0.249 0.000 0.266 528 E C -1.611 175.087 176.600 0.164 0.000 0.880 528 E CA -0.948 55.484 56.400 0.053 0.000 0.762 528 E CB 1.516 31.247 29.700 0.052 0.000 1.180 528 E HN 0.216 nan 8.360 nan 0.000 0.416 529 F N -0.379 119.460 119.950 -0.186 0.000 2.654 529 F HA 0.611 4.989 4.527 -0.248 0.000 0.308 529 F C -1.664 174.059 175.800 -0.129 0.000 1.108 529 F CA -1.178 56.763 58.000 -0.098 0.000 0.957 529 F CB 1.384 40.365 39.000 -0.031 0.000 1.309 529 F HN 0.099 nan 8.300 nan 0.000 0.446 530 D N 1.656 121.993 120.400 -0.106 0.000 2.646 530 D HA 0.809 5.299 4.640 -0.249 0.000 0.245 530 D C -1.058 175.250 176.300 0.014 0.000 1.099 530 D CA -0.337 53.586 54.000 -0.128 0.000 0.849 530 D CB 2.094 42.913 40.800 0.033 0.000 1.448 530 D HN 1.009 nan 8.370 nan 0.000 0.489 531 A N 1.381 124.198 122.820 -0.006 0.000 2.612 531 A HA 0.582 4.752 4.320 -0.249 0.000 0.293 531 A C -1.231 176.393 177.584 0.066 0.000 1.075 531 A CA -1.004 51.083 52.037 0.082 0.000 0.680 531 A CB 1.193 20.309 19.000 0.193 0.000 1.279 531 A HN 0.380 nan 8.150 nan 0.000 0.411 532 K N 1.152 121.599 120.400 0.077 0.000 2.312 532 K HA 0.449 4.620 4.320 -0.249 0.000 0.287 532 K C -0.314 176.335 176.600 0.083 0.000 1.062 532 K CA -0.382 55.947 56.287 0.069 0.000 0.934 532 K CB 1.195 33.730 32.500 0.059 0.000 1.027 532 K HN 0.421 nan 8.250 nan 0.000 0.478 533 V N 4.414 124.387 119.914 0.098 0.000 2.872 533 V HA -0.074 3.896 4.120 -0.249 0.000 0.307 533 V C 0.975 177.121 176.094 0.087 0.000 1.072 533 V CA 0.280 62.647 62.300 0.112 0.000 1.148 533 V CB 0.741 32.676 31.823 0.188 0.000 0.954 533 V HN 0.676 nan 8.190 nan 0.000 0.490 534 L N 2.952 124.224 121.223 0.080 0.000 2.749 534 L HA 0.448 4.639 4.340 -0.249 0.000 0.242 534 L C 0.549 177.456 176.870 0.063 0.000 1.103 534 L CA 0.632 55.513 54.840 0.068 0.000 0.906 534 L CB 0.203 42.302 42.059 0.067 0.000 1.228 534 L HN 0.768 nan 8.230 nan 0.000 0.517 535 R N -1.664 118.878 120.500 0.069 0.000 2.824 535 R HA 0.549 4.740 4.340 -0.249 0.000 0.267 535 R C -2.115 174.226 176.300 0.069 0.000 1.035 535 R CA -0.384 55.754 56.100 0.064 0.000 0.887 535 R CB 1.249 31.581 30.300 0.054 0.000 1.262 535 R HN -0.310 nan 8.270 nan 0.000 0.487 536 V N 4.941 124.895 119.914 0.066 0.000 2.376 536 V HA 0.544 4.515 4.120 -0.249 0.000 0.287 536 V C -0.367 175.766 176.094 0.064 0.000 1.015 536 V CA -0.496 61.840 62.300 0.060 0.000 0.834 536 V CB 1.367 33.230 31.823 0.067 0.000 1.001 536 V HN 0.561 nan 8.190 nan 0.000 0.428 537 I N 4.397 125.021 120.570 0.091 0.000 2.404 537 I HA 0.475 4.495 4.170 -0.249 0.000 0.293 537 I C 0.979 177.182 176.117 0.144 0.000 0.992 537 I CA -0.413 60.946 61.300 0.098 0.000 1.149 537 I CB 1.584 39.638 38.000 0.091 0.000 1.315 537 I HN 0.610 nan 8.210 nan 0.000 0.446 538 K N 2.926 123.390 120.400 0.108 0.000 10.611 538 K HA -0.313 3.858 4.320 -0.249 0.000 0.501 538 K C 0.507 177.133 176.600 0.043 0.000 0.444 538 K CA 2.678 59.028 56.287 0.105 0.000 1.786 538 K CB -0.613 32.005 32.500 0.195 0.000 0.803 538 K HN 0.996 nan 8.250 nan 0.000 1.210 539 D N -2.189 118.214 120.400 0.006 0.000 2.497 539 D HA 0.068 4.559 4.640 -0.249 0.000 0.256 539 D C -0.444 175.692 176.300 -0.273 0.000 1.273 539 D CA -0.166 53.733 54.000 -0.168 0.000 0.812 539 D CB -0.637 40.005 40.800 -0.263 0.000 1.190 539 D HN 0.254 nan 8.370 nan 0.000 0.524 540 W N 1.948 123.199 121.300 -0.083 0.000 2.388 540 W HA 0.465 4.976 4.660 -0.247 0.000 0.308 540 W C 0.149 176.616 176.519 -0.086 0.000 1.263 540 W CA -0.590 56.702 57.345 -0.088 0.000 1.286 540 W CB 1.135 30.560 29.460 -0.058 0.000 1.294 540 W HN -0.333 nan 8.180 nan 0.000 0.493 541 V N 5.838 125.784 119.914 0.053 0.000 2.567 541 V HA 0.404 4.374 4.120 -0.249 0.000 0.289 541 V C 0.098 176.282 176.094 0.151 0.000 1.049 541 V CA -0.964 61.317 62.300 -0.031 0.000 0.969 541 V CB 1.257 32.862 31.823 -0.364 0.000 0.995 541 V HN 0.274 nan 8.190 nan 0.000 0.471 542 I N 4.869 125.505 120.570 0.111 0.000 2.418 542 I HA 0.446 4.467 4.170 -0.249 0.000 0.287 542 I C -0.408 175.771 176.117 0.103 0.000 1.008 542 I CA -0.183 61.216 61.300 0.165 0.000 1.104 542 I CB 1.448 39.524 38.000 0.127 0.000 1.264 542 I HN 0.378 nan 8.210 nan 0.000 0.438 543 L N 4.468 125.761 121.223 0.117 0.000 2.358 543 L HA 0.408 4.599 4.340 -0.249 0.000 0.268 543 L C 1.273 178.229 176.870 0.143 0.000 1.032 543 L CA -0.780 54.121 54.840 0.103 0.000 0.805 543 L CB 0.934 43.045 42.059 0.088 0.000 1.253 543 L HN 0.635 nan 8.230 nan 0.000 0.452 544 D N 0.401 120.876 120.400 0.125 0.000 2.178 544 D HA -0.044 4.446 4.640 -0.249 0.000 0.202 544 D C 0.371 176.734 176.300 0.105 0.000 0.974 544 D CA 0.932 54.994 54.000 0.103 0.000 0.841 544 D CB 0.404 41.256 40.800 0.086 0.000 0.953 544 D HN 0.483 nan 8.370 nan 0.000 0.478 545 A N -0.829 122.074 122.820 0.138 0.000 2.594 545 A HA 0.554 4.725 4.320 -0.249 0.000 0.295 545 A C -1.030 176.637 177.584 0.138 0.000 1.071 545 A CA -0.519 51.578 52.037 0.100 0.000 0.685 545 A CB 2.244 21.277 19.000 0.054 0.000 1.285 545 A HN 0.041 nan 8.150 nan 0.000 0.405 546 T N -0.409 114.151 114.554 0.011 0.000 2.896 546 T HA 0.651 4.852 4.350 -0.249 0.000 0.297 546 T C 0.003 174.455 174.700 -0.414 0.000 1.108 546 T CA 0.506 62.535 62.100 -0.119 0.000 1.004 546 T CB 1.649 70.760 68.868 0.405 0.000 1.159 546 T HN 1.851 nan 8.240 nan 0.000 0.499 547 A N 2.569 124.819 122.820 -0.950 0.000 2.589 547 A HA 0.518 4.688 4.320 -0.249 0.000 0.283 547 A C -0.464 176.998 177.584 -0.203 0.000 1.187 547 A CA -0.321 51.423 52.037 -0.488 0.000 0.957 547 A CB -0.149 18.442 19.000 -0.682 0.000 1.175 547 A HN 0.581 nan 8.150 nan 0.000 0.532 548 F N 0.136 120.128 119.950 0.070 0.000 2.411 548 F HA 0.370 4.747 4.527 -0.249 0.000 0.355 548 F C 0.116 175.921 175.800 0.009 0.000 1.117 548 F CA -0.522 57.573 58.000 0.159 0.000 1.139 548 F CB 0.559 39.736 39.000 0.295 0.000 1.120 548 F HN 0.338 nan 8.300 nan 0.000 0.493 549 Y N 7.259 127.483 120.300 -0.127 0.000 2.393 549 Y HA 0.315 4.715 4.550 -0.250 0.000 0.338 549 Y C -2.293 173.456 175.900 -0.252 0.000 1.029 549 Y CA -3.059 54.680 58.100 -0.601 0.000 1.239 549 Y CB 0.451 38.497 38.460 -0.690 0.000 1.170 549 Y HN 0.323 nan 8.280 nan 0.000 0.515 550 P HA 0.016 nan 4.420 nan 0.000 0.281 550 P C -0.620 176.292 177.300 -0.646 0.000 1.252 550 P CA -0.233 62.565 63.100 -0.503 0.000 0.778 550 P CB 0.888 32.356 31.700 -0.386 0.000 0.895 551 E N 2.024 122.111 120.200 -0.189 0.000 2.708 551 E HA 0.199 4.400 4.350 -0.249 0.000 0.260 551 E C 0.043 176.547 176.600 -0.160 0.000 0.937 551 E CA 0.767 57.116 56.400 -0.084 0.000 0.953 551 E CB -0.172 29.608 29.700 0.134 0.000 0.915 551 E HN 0.764 nan 8.360 nan 0.000 0.487 552 G N 1.581 110.332 108.800 -0.082 0.000 2.376 552 G HA2 0.379 4.190 3.960 -0.249 0.000 0.302 552 G HA3 0.379 4.190 3.960 -0.249 0.000 0.302 552 G C 0.129 175.068 174.900 0.065 0.000 1.586 552 G CA 0.011 45.096 45.100 -0.025 0.000 0.907 552 G HN 0.979 nan 8.290 nan 0.000 0.655 553 G N -0.803 108.047 108.800 0.083 0.000 2.298 553 G HA2 0.353 4.164 3.960 -0.249 0.000 0.287 553 G HA3 0.353 4.164 3.960 -0.249 0.000 0.287 553 G C 2.058 177.041 174.900 0.138 0.000 1.075 553 G CA 1.307 46.490 45.100 0.138 0.000 0.960 553 G HN 2.920 nan 8.290 nan 0.000 0.502 554 G N -1.194 107.647 108.800 0.068 0.000 2.328 554 G HA2 -0.334 3.477 3.960 -0.249 0.000 0.256 554 G HA3 -0.334 3.477 3.960 -0.249 0.000 0.256 554 G C 0.530 175.384 174.900 -0.076 0.000 1.014 554 G CA 1.462 46.581 45.100 0.031 0.000 0.620 554 G HN 1.668 nan 8.290 nan 0.000 0.530 555 Q N 1.663 121.396 119.800 -0.112 0.000 2.296 555 Q HA 0.518 4.709 4.340 -0.249 0.000 0.257 555 Q C -2.273 173.578 176.000 -0.250 0.000 0.942 555 Q CA -2.106 53.513 55.803 -0.307 0.000 0.939 555 Q CB 1.545 29.994 28.738 -0.481 0.000 1.198 555 Q HN 0.268 nan 8.270 nan 0.000 0.429 556 P HA -0.065 nan 4.420 nan 0.000 0.272 556 P C -1.181 175.995 177.300 -0.206 0.000 1.254 556 P CA 0.103 62.943 63.100 -0.433 0.000 0.795 556 P CB 0.174 31.521 31.700 -0.589 0.000 1.022 557 Y N -1.954 118.367 120.300 0.034 0.000 2.314 557 Y HA 0.347 4.747 4.550 -0.249 0.000 0.334 557 Y C 0.492 176.479 175.900 0.145 0.000 1.266 557 Y CA -0.930 57.204 58.100 0.056 0.000 1.391 557 Y CB -0.475 37.984 38.460 -0.001 0.000 1.306 557 Y HN 0.170 nan 8.280 nan 0.000 0.558 558 D N 1.376 122.011 120.400 0.391 0.000 2.348 558 D HA 0.179 4.670 4.640 -0.249 0.000 0.253 558 D C 0.122 176.757 176.300 0.559 0.000 1.161 558 D CA 0.230 54.462 54.000 0.387 0.000 0.876 558 D CB 1.238 42.257 40.800 0.365 0.000 1.160 558 D HN 0.832 nan 8.370 nan 0.000 0.459 559 T N -0.519 114.294 114.554 0.431 0.000 2.844 559 T HA 0.862 5.062 4.350 -0.249 0.000 0.274 559 T C 0.588 175.619 174.700 0.553 0.000 0.991 559 T CA -0.145 62.205 62.100 0.415 0.000 0.983 559 T CB 2.052 71.067 68.868 0.245 0.000 1.310 559 T HN 0.481 nan 8.240 nan 0.000 0.596 560 G N -0.665 108.375 108.800 0.400 0.000 2.366 560 G HA2 0.410 4.221 3.960 -0.249 0.000 0.190 560 G HA3 0.410 4.221 3.960 -0.249 0.000 0.190 560 G C -0.918 174.165 174.900 0.304 0.000 1.299 560 G CA 0.055 45.384 45.100 0.382 0.000 1.056 560 G HN 1.934 nan 8.290 nan 0.000 0.468 561 V N -1.889 118.232 119.914 0.345 0.000 3.040 561 V HA 0.931 4.902 4.120 -0.249 0.000 0.312 561 V C -0.654 175.583 176.094 0.239 0.000 1.115 561 V CA -1.122 61.310 62.300 0.220 0.000 0.998 561 V CB 1.874 33.788 31.823 0.151 0.000 1.042 561 V HN 1.008 nan 8.190 nan 0.000 0.433 562 L N 2.872 124.191 121.223 0.160 0.000 2.406 562 L HA 0.613 4.804 4.340 -0.249 0.000 0.272 562 L C -1.027 175.941 176.870 0.164 0.000 0.980 562 L CA -0.358 54.580 54.840 0.164 0.000 0.831 562 L CB 2.024 44.190 42.059 0.179 0.000 1.253 562 L HN 0.617 nan 8.230 nan 0.000 0.406 563 I N 4.345 124.995 120.570 0.133 0.000 2.337 563 I HA 0.226 4.247 4.170 -0.249 0.000 0.285 563 I C -0.161 175.957 176.117 0.001 0.000 1.041 563 I CA -0.502 60.844 61.300 0.077 0.000 1.199 563 I CB 1.737 39.789 38.000 0.088 0.000 1.370 563 I HN 0.221 nan 8.210 nan 0.000 0.470 564 V N 8.414 128.257 119.914 -0.120 0.000 2.408 564 V HA 0.300 4.270 4.120 -0.249 0.000 0.267 564 V C 0.775 176.770 176.094 -0.164 0.000 1.047 564 V CA 0.216 62.367 62.300 -0.248 0.000 0.937 564 V CB 0.285 31.734 31.823 -0.623 0.000 0.999 564 V HN 1.004 nan 8.190 nan 0.000 0.472 565 N N 5.070 123.697 118.700 -0.120 0.000 3.644 565 N HA -0.228 4.363 4.740 -0.249 0.000 0.220 565 N C 1.077 176.544 175.510 -0.072 0.000 0.167 565 N CA 2.275 55.271 53.050 -0.089 0.000 3.334 565 N CB -1.434 36.998 38.487 -0.091 0.000 1.186 565 N HN 1.047 nan 8.380 nan 0.000 0.301 566 G N -0.269 108.491 108.800 -0.067 0.000 4.250 566 G HA2 0.161 3.972 3.960 -0.249 0.000 0.242 566 G HA3 0.161 3.972 3.960 -0.249 0.000 0.242 566 G C -0.069 174.808 174.900 -0.037 0.000 1.075 566 G CA -0.278 44.791 45.100 -0.051 0.000 0.846 566 G HN 0.104 nan 8.290 nan 0.000 0.445 567 R N 1.353 121.828 120.500 -0.043 0.000 2.349 567 R HA 0.300 4.491 4.340 -0.249 0.000 0.299 567 R C -0.640 175.665 176.300 0.007 0.000 1.027 567 R CA -0.281 55.805 56.100 -0.024 0.000 0.958 567 R CB 1.035 31.312 30.300 -0.038 0.000 1.047 567 R HN 0.156 nan 8.270 nan 0.000 0.468 568 E N 2.960 123.174 120.200 0.023 0.000 1.932 568 E HA 0.106 4.307 4.350 -0.249 0.000 0.259 568 E C -0.528 176.107 176.600 0.058 0.000 1.099 568 E CA -0.250 56.179 56.400 0.048 0.000 0.970 568 E CB 0.847 30.572 29.700 0.042 0.000 1.143 568 E HN 0.212 nan 8.360 nan 0.000 0.441 569 V N 4.349 124.317 119.914 0.091 0.000 2.370 569 V HA 0.039 4.010 4.120 -0.249 0.000 0.257 569 V C 0.516 176.645 176.094 0.058 0.000 1.064 569 V CA -0.365 61.997 62.300 0.104 0.000 0.975 569 V CB -0.310 31.667 31.823 0.258 0.000 1.067 569 V HN 0.362 nan 8.190 nan 0.000 0.485 570 K N 3.475 123.888 120.400 0.021 0.000 2.447 570 K HA 0.247 4.417 4.320 -0.249 0.000 0.281 570 K C -0.314 176.242 176.600 -0.074 0.000 1.031 570 K CA -0.268 56.021 56.287 0.002 0.000 1.019 570 K CB 0.672 33.173 32.500 0.002 0.000 0.918 570 K HN 0.515 nan 8.250 nan 0.000 0.476 571 V N 3.173 123.027 119.914 -0.099 0.000 2.408 571 V HA 0.021 3.992 4.120 -0.249 0.000 0.267 571 V C 1.160 177.132 176.094 -0.204 0.000 1.047 571 V CA -0.304 61.839 62.300 -0.262 0.000 0.937 571 V CB 0.583 32.073 31.823 -0.555 0.000 0.999 571 V HN 0.969 nan 8.190 nan 0.000 0.472 572 T N 0.106 114.504 114.554 -0.260 0.000 3.040 572 T HA 0.210 4.411 4.350 -0.249 0.000 0.250 572 T C 0.579 175.073 174.700 -0.343 0.000 1.058 572 T CA -0.112 61.866 62.100 -0.204 0.000 0.988 572 T CB 0.082 68.842 68.868 -0.179 0.000 0.993 572 T HN 0.565 nan 8.240 nan 0.000 0.519 573 N N 0.169 118.561 118.700 -0.514 0.000 2.636 573 N HA 0.383 4.973 4.740 -0.249 0.000 0.261 573 N C -2.370 172.880 175.510 -0.435 0.000 1.195 573 N CA -0.287 52.279 53.050 -0.806 0.000 0.902 573 N CB 2.540 40.689 38.487 -0.563 0.000 1.627 573 N HN -0.002 nan 8.380 nan 0.000 0.491 574 V N 2.195 121.889 119.914 -0.367 0.000 2.733 574 V HA 0.523 4.494 4.120 -0.249 0.000 0.306 574 V C -0.897 175.145 176.094 -0.086 0.000 1.084 574 V CA -0.744 61.483 62.300 -0.122 0.000 0.905 574 V CB 1.896 33.626 31.823 -0.157 0.000 1.010 574 V HN 0.563 nan 8.190 nan 0.000 0.424 575 Q N 2.313 122.037 119.800 -0.126 0.000 2.451 575 Q HA 0.526 4.717 4.340 -0.249 0.000 0.281 575 Q C -1.003 174.871 176.000 -0.209 0.000 1.099 575 Q CA -0.804 54.883 55.803 -0.193 0.000 0.806 575 Q CB 3.171 31.733 28.738 -0.294 0.000 1.419 575 Q HN 0.674 nan 8.270 nan 0.000 0.427 576 K N 1.577 121.872 120.400 -0.175 0.000 2.414 576 K HA 0.372 4.542 4.320 -0.249 0.000 0.251 576 K C -1.088 175.449 176.600 -0.106 0.000 1.037 576 K CA -0.307 55.902 56.287 -0.129 0.000 0.980 576 K CB 0.645 33.082 32.500 -0.106 0.000 1.280 576 K HN 0.328 nan 8.250 nan 0.000 0.451 577 V N 4.332 124.176 119.914 -0.115 0.000 2.389 577 V HA 0.262 4.232 4.120 -0.249 0.000 0.264 577 V C 1.118 177.193 176.094 -0.033 0.000 1.049 577 V CA 0.716 62.965 62.300 -0.086 0.000 0.932 577 V CB 0.138 31.894 31.823 -0.112 0.000 1.011 577 V HN 1.126 nan 8.190 nan 0.000 0.475 578 G N 6.297 115.092 108.800 -0.009 0.000 2.543 578 G HA2 -0.322 3.489 3.960 -0.249 0.000 0.286 578 G HA3 -0.322 3.489 3.960 -0.249 0.000 0.286 578 G C 0.543 175.461 174.900 0.030 0.000 1.153 578 G CA 0.597 45.709 45.100 0.020 0.000 0.968 578 G HN 0.621 nan 8.290 nan 0.000 0.544 579 K N -0.258 120.163 120.400 0.035 0.000 2.358 579 K HA 0.549 4.720 4.320 -0.249 0.000 0.197 579 K C 0.395 177.013 176.600 0.029 0.000 1.025 579 K CA 0.280 56.592 56.287 0.042 0.000 1.104 579 K CB 1.063 33.592 32.500 0.048 0.000 0.855 579 K HN 0.362 nan 8.250 nan 0.000 0.531 580 V N 2.644 122.569 119.914 0.019 0.000 2.407 580 V HA 0.352 4.323 4.120 -0.249 0.000 0.278 580 V C -0.135 175.960 176.094 0.002 0.000 1.037 580 V CA -1.019 61.295 62.300 0.023 0.000 0.900 580 V CB 1.137 32.974 31.823 0.025 0.000 0.983 580 V HN 0.183 nan 8.190 nan 0.000 0.459 581 I N 6.382 126.964 120.570 0.021 0.000 2.460 581 I HA 0.783 4.804 4.170 -0.249 0.000 0.298 581 I C -0.477 175.633 176.117 -0.011 0.000 0.989 581 I CA -0.495 60.783 61.300 -0.037 0.000 1.173 581 I CB 1.545 39.510 38.000 -0.059 0.000 1.338 581 I HN 0.709 nan 8.210 nan 0.000 0.456 582 I N 2.916 123.426 120.570 -0.099 0.000 2.545 582 I HA 0.553 4.573 4.170 -0.249 0.000 0.292 582 I C -1.522 174.700 176.117 0.174 0.000 1.040 582 I CA -0.631 60.733 61.300 0.106 0.000 1.068 582 I CB 1.898 39.934 38.000 0.059 0.000 1.251 582 I HN 0.602 nan 8.210 nan 0.000 0.424 583 H N 3.205 122.414 119.070 0.233 0.000 2.481 583 H HA 0.495 4.902 4.556 -0.248 0.000 0.333 583 H C -0.778 174.367 175.328 -0.307 0.000 1.066 583 H CA -0.888 55.145 56.048 -0.024 0.000 1.209 583 H CB 1.513 31.152 29.762 -0.204 0.000 1.445 583 H HN 0.529 nan 8.280 nan 0.000 0.488 584 K N 3.093 123.122 120.400 -0.619 0.000 2.312 584 K HA 0.395 4.565 4.320 -0.249 0.000 0.287 584 K C -0.589 175.644 176.600 -0.612 0.000 1.062 584 K CA -0.524 55.113 56.287 -1.083 0.000 0.934 584 K CB 0.252 31.912 32.500 -1.400 0.000 1.027 584 K HN 0.505 nan 8.250 nan 0.000 0.478 585 V N 0.705 120.295 119.914 -0.541 0.000 3.019 585 V HA 0.468 4.439 4.120 -0.249 0.000 0.317 585 V C 0.250 176.177 176.094 -0.279 0.000 1.094 585 V CA -0.511 61.569 62.300 -0.367 0.000 1.000 585 V CB 1.920 33.496 31.823 -0.411 0.000 1.060 585 V HN 0.874 nan 8.190 nan 0.000 0.443 586 E N -0.096 120.008 120.200 -0.161 0.000 2.447 586 E HA 0.125 4.326 4.350 -0.249 0.000 0.195 586 E C -0.369 176.198 176.600 -0.055 0.000 1.028 586 E CA 0.514 56.850 56.400 -0.108 0.000 0.876 586 E CB 0.362 30.020 29.700 -0.070 0.000 0.885 586 E HN 0.780 nan 8.360 nan 0.000 0.500 587 D N 0.303 120.697 120.400 -0.009 0.000 2.517 587 D HA 0.095 4.585 4.640 -0.249 0.000 0.301 587 D C -1.895 174.488 176.300 0.138 0.000 1.202 587 D CA -2.120 51.919 54.000 0.065 0.000 0.910 587 D CB 0.973 41.837 40.800 0.106 0.000 1.021 587 D HN -0.073 nan 8.370 nan 0.000 0.499 588 P HA 0.053 nan 4.420 nan 0.000 0.231 588 P C 1.403 178.779 177.300 0.127 0.000 1.168 588 P CA 0.301 63.433 63.100 0.054 0.000 0.779 588 P CB 0.518 32.197 31.700 -0.036 0.000 0.844 589 G N 1.109 109.963 108.800 0.089 0.000 2.402 589 G HA2 -0.152 3.659 3.960 -0.249 0.000 0.216 589 G HA3 -0.152 3.659 3.960 -0.249 0.000 0.216 589 G C 1.618 176.559 174.900 0.069 0.000 1.162 589 G CA 0.684 45.824 45.100 0.067 0.000 0.777 589 G HN 0.345 nan 8.290 nan 0.000 0.539 590 A N -0.607 122.258 122.820 0.076 0.000 2.264 590 A HA 0.418 4.589 4.320 -0.249 0.000 0.207 590 A C -0.001 177.480 177.584 -0.172 0.000 1.196 590 A CA 0.100 52.116 52.037 -0.035 0.000 0.778 590 A CB -0.424 18.541 19.000 -0.058 0.000 0.779 590 A HN 0.210 nan 8.150 nan 0.000 0.483 591 F N 0.204 120.139 119.950 -0.024 0.000 2.477 591 F HA 0.465 4.843 4.527 -0.248 0.000 0.335 591 F C 0.050 175.843 175.800 -0.012 0.000 1.130 591 F CA -0.639 57.348 58.000 -0.022 0.000 0.948 591 F CB 1.833 40.815 39.000 -0.029 0.000 1.154 591 F HN -0.170 nan 8.300 nan 0.000 0.439 592 K N 2.249 122.719 120.400 0.116 0.000 2.371 592 K HA 0.186 4.357 4.320 -0.249 0.000 0.251 592 K C -0.664 175.988 176.600 0.086 0.000 0.934 592 K CA -0.917 55.419 56.287 0.082 0.000 0.798 592 K CB 2.126 34.643 32.500 0.028 0.000 1.204 592 K HN 0.662 nan 8.250 nan 0.000 0.427 593 E N 1.004 121.250 120.200 0.076 0.000 2.188 593 E HA -0.007 4.194 4.350 -0.249 0.000 0.243 593 E C 0.453 177.084 176.600 0.052 0.000 1.269 593 E CA 0.843 57.283 56.400 0.067 0.000 0.979 593 E CB -0.673 29.058 29.700 0.052 0.000 1.076 593 E HN 0.835 nan 8.360 nan 0.000 0.452 594 G N 3.901 112.735 108.800 0.057 0.000 3.505 594 G HA2 -0.193 3.618 3.960 -0.249 0.000 0.210 594 G HA3 -0.193 3.618 3.960 -0.249 0.000 0.210 594 G C 0.189 175.109 174.900 0.034 0.000 1.047 594 G CA -0.255 44.869 45.100 0.041 0.000 0.884 594 G HN 0.485 nan 8.290 nan 0.000 0.434 595 M N 2.330 121.944 119.600 0.023 0.000 2.217 595 M HA 0.449 4.780 4.480 -0.249 0.000 0.352 595 M C 0.285 176.586 176.300 0.001 0.000 1.376 595 M CA -0.133 55.163 55.300 -0.007 0.000 1.107 595 M CB 0.479 33.048 32.600 -0.052 0.000 1.723 595 M HN 0.205 nan 8.290 nan 0.000 0.461 596 I N 5.398 125.967 120.570 -0.000 0.000 2.683 596 I HA 0.027 4.047 4.170 -0.249 0.000 0.286 596 I C -0.075 176.036 176.117 -0.010 0.000 1.175 596 I CA -0.117 61.188 61.300 0.009 0.000 1.429 596 I CB 0.176 38.185 38.000 0.014 0.000 1.371 596 I HN 0.434 nan 8.210 nan 0.000 0.569 597 V N 2.731 122.647 119.914 0.004 0.000 2.960 597 V HA 0.538 4.509 4.120 -0.249 0.000 0.315 597 V C -0.682 175.400 176.094 -0.020 0.000 1.087 597 V CA -0.969 61.328 62.300 -0.004 0.000 0.982 597 V CB 1.762 33.626 31.823 0.067 0.000 1.039 597 V HN 0.677 nan 8.190 nan 0.000 0.437 598 H N 0.375 119.385 119.070 -0.100 0.000 2.502 598 H HA 0.832 5.239 4.556 -0.248 0.000 0.338 598 H C 0.052 175.283 175.328 -0.163 0.000 1.155 598 H CA 0.545 56.510 56.048 -0.139 0.000 1.237 598 H CB 1.933 31.647 29.762 -0.080 0.000 1.534 598 H HN 1.282 nan 8.280 nan 0.000 0.523 599 G N 3.411 111.735 108.800 -0.793 0.000 2.711 599 G HA2 0.323 4.134 3.960 -0.249 0.000 0.288 599 G HA3 0.323 4.134 3.960 -0.249 0.000 0.288 599 G C -1.622 173.091 174.900 -0.312 0.000 1.451 599 G CA -0.805 44.035 45.100 -0.434 0.000 1.186 599 G HN 0.629 nan 8.290 nan 0.000 0.560 600 K N 2.116 122.512 120.400 -0.007 0.000 2.156 600 K HA 0.671 4.841 4.320 -0.249 0.000 0.254 600 K C -0.305 176.347 176.600 0.086 0.000 0.950 600 K CA -0.927 55.387 56.287 0.045 0.000 0.849 600 K CB 1.205 33.771 32.500 0.109 0.000 1.100 600 K HN 0.317 nan 8.250 nan 0.000 0.434 601 I N 2.523 123.106 120.570 0.021 0.000 2.362 601 I HA 0.134 4.155 4.170 -0.249 0.000 0.289 601 I C -0.170 176.057 176.117 0.182 0.000 0.994 601 I CA -0.825 60.478 61.300 0.006 0.000 1.158 601 I CB 1.156 39.067 38.000 -0.148 0.000 1.315 601 I HN 0.677 nan 8.210 nan 0.000 0.451 602 D N 6.046 126.564 120.400 0.196 0.000 2.660 602 D HA -0.169 4.322 4.640 -0.249 0.000 0.253 602 D C 0.626 176.998 176.300 0.120 0.000 1.256 602 D CA 0.568 54.657 54.000 0.148 0.000 0.914 602 D CB 0.503 41.367 40.800 0.107 0.000 1.137 602 D HN 0.602 nan 8.370 nan 0.000 0.542 603 W N 4.271 125.551 121.300 -0.034 0.000 2.474 603 W HA -0.103 4.409 4.660 -0.248 0.000 0.319 603 W C 1.616 178.083 176.519 -0.086 0.000 1.165 603 W CA 0.386 57.700 57.345 -0.052 0.000 1.356 603 W CB -0.047 29.401 29.460 -0.019 0.000 1.172 603 W HN 0.329 nan 8.180 nan 0.000 0.478 604 K N 0.332 120.708 120.400 -0.040 0.000 2.242 604 K HA -0.305 3.865 4.320 -0.249 0.000 0.206 604 K C 2.133 178.528 176.600 -0.341 0.000 1.045 604 K CA 1.871 58.054 56.287 -0.174 0.000 0.930 604 K CB -0.427 32.053 32.500 -0.033 0.000 0.726 604 K HN 0.214 nan 8.250 nan 0.000 0.462 605 R N 1.423 121.712 120.500 -0.352 0.000 2.092 605 R HA -0.207 3.984 4.340 -0.249 0.000 0.226 605 R C 2.346 178.168 176.300 -0.797 0.000 1.140 605 R CA 2.067 57.839 56.100 -0.547 0.000 0.910 605 R CB -0.284 29.776 30.300 -0.401 0.000 0.822 605 R HN -0.007 nan 8.270 nan 0.000 0.433 606 R N 0.536 120.617 120.500 -0.700 0.000 2.139 606 R HA -0.143 4.047 4.340 -0.249 0.000 0.243 606 R C 2.066 177.872 176.300 -0.823 0.000 1.145 606 R CA 1.751 57.414 56.100 -0.728 0.000 0.976 606 R CB -0.776 29.130 30.300 -0.657 0.000 0.866 606 R HN 0.489 nan 8.270 nan 0.000 0.449 607 I N 0.313 120.277 120.570 -1.009 0.000 2.286 607 I HA -0.139 3.882 4.170 -0.249 0.000 0.245 607 I C 1.930 177.820 176.117 -0.378 0.000 1.104 607 I CA 1.506 62.371 61.300 -0.725 0.000 1.397 607 I CB -0.087 37.514 38.000 -0.665 0.000 1.072 607 I HN 0.284 nan 8.210 nan 0.000 0.417 608 Q N -0.888 118.691 119.800 -0.369 0.000 2.230 608 Q HA -0.170 4.021 4.340 -0.249 0.000 0.202 608 Q C 1.982 177.868 176.000 -0.190 0.000 0.963 608 Q CA 1.509 57.161 55.803 -0.251 0.000 0.866 608 Q CB -0.183 28.370 28.738 -0.308 0.000 0.931 608 Q HN 0.671 nan 8.270 nan 0.000 0.452 609 H N -0.304 118.552 119.070 -0.356 0.000 2.253 609 H HA -0.110 4.297 4.556 -0.248 0.000 0.299 609 H C 2.162 177.333 175.328 -0.261 0.000 1.064 609 H CA 1.175 57.023 56.048 -0.335 0.000 1.264 609 H CB -0.025 29.497 29.762 -0.401 0.000 1.371 609 H HN 0.183 nan 8.280 nan 0.000 0.493 610 M N 0.354 119.831 119.600 -0.206 0.000 2.113 610 M HA -0.300 4.031 4.480 -0.249 0.000 0.255 610 M C 2.474 178.722 176.300 -0.087 0.000 1.073 610 M CA 1.612 56.767 55.300 -0.241 0.000 1.091 610 M CB -0.313 32.102 32.600 -0.308 0.000 1.309 610 M HN 0.239 nan 8.290 nan 0.000 0.407 611 R N -1.014 119.466 120.500 -0.034 0.000 2.103 611 R HA -0.191 4.000 4.340 -0.249 0.000 0.242 611 R C 1.941 178.324 176.300 0.138 0.000 1.142 611 R CA 1.783 57.923 56.100 0.066 0.000 0.960 611 R CB -0.434 29.925 30.300 0.098 0.000 0.858 611 R HN 0.476 nan 8.270 nan 0.000 0.439 612 H N -2.019 117.034 119.070 -0.027 0.000 2.482 612 H HA -0.037 4.370 4.556 -0.249 0.000 0.286 612 H C 1.728 177.090 175.328 0.057 0.000 1.017 612 H CA 1.250 57.295 56.048 -0.005 0.000 1.322 612 H CB -0.018 29.667 29.762 -0.127 0.000 1.426 612 H HN 0.265 nan 8.280 nan 0.000 0.546 613 H N -0.547 118.503 119.070 -0.033 0.000 2.307 613 H HA -0.051 4.355 4.556 -0.249 0.000 0.303 613 H C 2.016 177.308 175.328 -0.059 0.000 1.073 613 H CA 2.075 58.040 56.048 -0.137 0.000 1.338 613 H CB -0.080 29.401 29.762 -0.468 0.000 1.389 613 H HN 0.163 nan 8.280 nan 0.000 0.503 614 T N -0.572 113.990 114.554 0.013 0.000 2.684 614 T HA -0.154 4.046 4.350 -0.249 0.000 0.267 614 T C 2.175 176.905 174.700 0.051 0.000 1.036 614 T CA 1.313 63.450 62.100 0.061 0.000 1.148 614 T CB -0.950 67.988 68.868 0.115 0.000 0.863 614 T HN 0.625 nan 8.240 nan 0.000 0.436 615 G N 1.160 110.011 108.800 0.086 0.000 2.513 615 G HA2 -0.290 3.521 3.960 -0.249 0.000 0.219 615 G HA3 -0.290 3.521 3.960 -0.249 0.000 0.219 615 G C 1.723 176.680 174.900 0.094 0.000 1.160 615 G CA 1.695 46.858 45.100 0.105 0.000 0.767 615 G HN 0.455 nan 8.290 nan 0.000 0.571 616 T N 0.255 114.941 114.554 0.219 0.000 2.635 616 T HA -0.165 4.035 4.350 -0.249 0.000 0.267 616 T C 1.988 176.765 174.700 0.127 0.000 1.040 616 T CA 1.588 63.812 62.100 0.208 0.000 1.156 616 T CB -0.504 68.519 68.868 0.258 0.000 0.863 616 T HN 0.568 nan 8.240 nan 0.000 0.430 617 H N -0.116 118.922 119.070 -0.053 0.000 2.353 617 H HA -0.039 4.369 4.556 -0.246 0.000 0.300 617 H C 2.450 177.805 175.328 0.044 0.000 1.090 617 H CA 1.149 57.168 56.048 -0.049 0.000 1.327 617 H CB -0.228 29.496 29.762 -0.064 0.000 1.383 617 H HN 0.170 nan 8.280 nan 0.000 0.508 618 V N 1.162 121.194 119.914 0.198 0.000 2.343 618 V HA -0.243 3.728 4.120 -0.249 0.000 0.247 618 V C 2.536 178.784 176.094 0.257 0.000 1.051 618 V CA 1.454 63.882 62.300 0.213 0.000 1.036 618 V CB -0.540 31.284 31.823 0.002 0.000 0.654 618 V HN 0.203 nan 8.190 nan 0.000 0.451 619 L N -0.691 120.533 121.223 0.002 0.000 1.994 619 L HA -0.163 4.028 4.340 -0.249 0.000 0.208 619 L C 2.352 179.173 176.870 -0.081 0.000 1.071 619 L CA 2.311 57.074 54.840 -0.128 0.000 0.745 619 L CB -0.619 41.167 42.059 -0.455 0.000 0.892 619 L HN 0.301 nan 8.230 nan 0.000 0.431 620 M N -0.086 119.451 119.600 -0.106 0.000 2.113 620 M HA -0.189 4.141 4.480 -0.249 0.000 0.255 620 M C 2.112 178.268 176.300 -0.239 0.000 1.073 620 M CA 2.233 57.428 55.300 -0.176 0.000 1.091 620 M CB -1.373 31.093 32.600 -0.223 0.000 1.309 620 M HN 0.331 nan 8.290 nan 0.000 0.407 621 G N -1.105 107.553 108.800 -0.238 0.000 2.476 621 G HA2 -0.212 3.599 3.960 -0.249 0.000 0.218 621 G HA3 -0.212 3.599 3.960 -0.249 0.000 0.218 621 G C 1.548 176.075 174.900 -0.622 0.000 1.164 621 G CA 1.512 46.158 45.100 -0.756 0.000 0.768 621 G HN 0.731 nan 8.290 nan 0.000 0.560 622 A N 0.418 123.218 122.820 -0.034 0.000 1.902 622 A HA 0.108 4.278 4.320 -0.249 0.000 0.217 622 A C 2.483 179.999 177.584 -0.114 0.000 1.181 622 A CA 1.371 53.444 52.037 0.059 0.000 0.623 622 A CB -0.436 18.676 19.000 0.187 0.000 0.818 622 A HN 0.362 nan 8.150 nan 0.000 0.443 623 L N -0.456 120.676 121.223 -0.152 0.000 2.012 623 L HA -0.204 3.987 4.340 -0.249 0.000 0.210 623 L C 2.574 179.315 176.870 -0.215 0.000 1.073 623 L CA 1.422 56.152 54.840 -0.184 0.000 0.748 623 L CB -0.654 41.285 42.059 -0.199 0.000 0.891 623 L HN 0.264 nan 8.230 nan 0.000 0.431 624 V N -0.319 119.443 119.914 -0.254 0.000 2.287 624 V HA -0.305 3.666 4.120 -0.249 0.000 0.248 624 V C 2.517 178.491 176.094 -0.200 0.000 1.053 624 V CA 1.811 63.965 62.300 -0.244 0.000 1.027 624 V CB -0.681 30.969 31.823 -0.289 0.000 0.646 624 V HN 0.403 nan 8.190 nan 0.000 0.447 625 R N -0.801 119.552 120.500 -0.244 0.000 2.193 625 R HA -0.061 4.130 4.340 -0.249 0.000 0.229 625 R C 1.936 178.185 176.300 -0.085 0.000 1.110 625 R CA 1.057 57.051 56.100 -0.176 0.000 0.988 625 R CB -0.106 30.057 30.300 -0.228 0.000 0.871 625 R HN 0.443 nan 8.270 nan 0.000 0.458 626 V N -0.407 119.456 119.914 -0.086 0.000 3.048 626 V HA 0.011 3.982 4.120 -0.249 0.000 0.241 626 V C 1.658 177.728 176.094 -0.041 0.000 1.129 626 V CA 0.792 63.063 62.300 -0.049 0.000 1.128 626 V CB 0.212 32.005 31.823 -0.050 0.000 0.849 626 V HN 0.214 nan 8.190 nan 0.000 0.475 627 L N -0.126 121.047 121.223 -0.085 0.000 2.556 627 L HA 0.556 4.747 4.340 -0.249 0.000 0.226 627 L C 1.004 177.954 176.870 0.134 0.000 1.089 627 L CA 0.851 55.655 54.840 -0.059 0.000 0.864 627 L CB 0.164 42.025 42.059 -0.329 0.000 1.067 627 L HN 0.528 nan 8.230 nan 0.000 0.477 628 G N 0.177 109.009 108.800 0.054 0.000 2.479 628 G HA2 -0.152 3.659 3.960 -0.249 0.000 0.686 628 G HA3 -0.152 3.659 3.960 -0.249 0.000 0.686 628 G C -0.014 174.914 174.900 0.047 0.000 1.295 628 G CA -0.589 44.608 45.100 0.161 0.000 0.922 628 G HN 0.001 nan 8.290 nan 0.000 0.582 629 R N -0.270 120.319 120.500 0.149 0.000 2.115 629 R HA -0.063 4.128 4.340 -0.249 0.000 0.230 629 R C 2.392 178.790 176.300 0.163 0.000 1.111 629 R CA 1.555 57.726 56.100 0.118 0.000 0.976 629 R CB -0.343 30.052 30.300 0.159 0.000 0.870 629 R HN 0.811 nan 8.270 nan 0.000 0.445 630 H N -0.056 119.131 119.070 0.196 0.000 2.518 630 H HA -0.020 4.385 4.556 -0.253 0.000 0.292 630 H C 0.343 175.840 175.328 0.281 0.000 1.068 630 H CA 0.505 56.692 56.048 0.231 0.000 1.275 630 H CB -0.790 29.109 29.762 0.228 0.000 1.375 630 H HN -0.099 nan 8.280 nan 0.000 0.563 631 V N 2.038 121.657 119.914 -0.490 0.000 2.540 631 V HA -0.058 3.913 4.120 -0.249 0.000 0.297 631 V C -0.090 176.051 176.094 0.078 0.000 1.024 631 V CA 0.516 62.643 62.300 -0.289 0.000 1.105 631 V CB 0.303 31.899 31.823 -0.377 0.000 0.938 631 V HN 0.464 nan 8.190 nan 0.000 0.482 632 W N 4.992 126.238 121.300 -0.090 0.000 3.624 632 W HA 0.265 4.809 4.660 -0.193 0.000 0.312 632 W C -0.387 176.120 176.519 -0.020 0.000 1.203 632 W CA -0.920 56.402 57.345 -0.038 0.000 1.225 632 W CB 1.792 31.259 29.460 0.010 0.000 1.321 632 W HN 0.628 nan 8.180 nan 0.000 0.506 633 Q N 2.677 122.495 119.800 0.030 0.000 2.283 633 Q HA 0.229 4.420 4.340 -0.249 0.000 0.301 633 Q C 0.349 176.473 176.000 0.207 0.000 1.063 633 Q CA 1.472 57.319 55.803 0.073 0.000 0.952 633 Q CB 1.362 30.084 28.738 -0.027 0.000 1.166 633 Q HN 0.519 nan 8.270 nan 0.000 0.381 634 A N 3.400 126.309 122.820 0.148 0.000 2.108 634 A HA 0.473 4.644 4.320 -0.249 0.000 0.206 634 A C 0.497 178.145 177.584 0.107 0.000 1.212 634 A CA 0.788 52.907 52.037 0.137 0.000 0.843 634 A CB 0.650 19.719 19.000 0.115 0.000 0.902 634 A HN 0.820 nan 8.150 nan 0.000 0.477 635 G N -1.735 107.123 108.800 0.097 0.000 2.523 635 G HA2 0.513 4.324 3.960 -0.249 0.000 0.291 635 G HA3 0.513 4.324 3.960 -0.249 0.000 0.291 635 G C -1.058 173.897 174.900 0.092 0.000 1.450 635 G CA 0.469 45.622 45.100 0.088 0.000 0.790 635 G HN 0.898 nan 8.290 nan 0.000 0.496 636 S N -1.107 114.650 115.700 0.094 0.000 2.656 636 S HA 0.823 5.144 4.470 -0.249 0.000 0.273 636 S C -1.788 172.870 174.600 0.097 0.000 1.168 636 S CA -0.360 57.904 58.200 0.107 0.000 0.817 636 S CB 2.244 65.507 63.200 0.105 0.000 1.146 636 S HN 1.291 nan 8.310 nan 0.000 0.475 637 Q N 0.811 120.667 119.800 0.093 0.000 2.774 637 Q HA 0.448 4.638 4.340 -0.249 0.000 0.232 637 Q C -2.326 173.643 176.000 -0.051 0.000 0.985 637 Q CA -0.497 55.323 55.803 0.029 0.000 1.058 637 Q CB 1.213 30.009 28.738 0.098 0.000 1.789 637 Q HN 0.870 nan 8.270 nan 0.000 0.487 638 L N 1.507 122.592 121.223 -0.230 0.000 2.504 638 L HA 0.742 4.932 4.340 -0.249 0.000 0.265 638 L C -0.158 176.334 176.870 -0.630 0.000 0.975 638 L CA -0.468 54.137 54.840 -0.391 0.000 0.864 638 L CB 0.312 42.261 42.059 -0.183 0.000 1.212 638 L HN 0.713 nan 8.230 nan 0.000 0.416 639 T N -1.105 112.894 114.554 -0.925 0.000 2.788 639 T HA 0.276 4.477 4.350 -0.249 0.000 0.280 639 T C 1.601 175.928 174.700 -0.621 0.000 0.984 639 T CA 0.553 62.179 62.100 -0.790 0.000 0.972 639 T CB 0.724 68.998 68.868 -0.990 0.000 1.039 639 T HN 0.768 nan 8.240 nan 0.000 0.530 640 T N -1.438 112.905 114.554 -0.351 0.000 2.822 640 T HA -0.160 4.040 4.350 -0.249 0.000 0.270 640 T C 0.887 175.280 174.700 -0.512 0.000 1.064 640 T CA 1.724 63.617 62.100 -0.347 0.000 1.131 640 T CB -0.592 68.112 68.868 -0.273 0.000 0.858 640 T HN 0.670 nan 8.240 nan 0.000 0.483 641 D N 0.081 120.171 120.400 -0.517 0.000 2.527 641 D HA 0.183 4.674 4.640 -0.249 0.000 0.249 641 D C 0.959 177.177 176.300 -0.137 0.000 1.029 641 D CA 0.511 54.349 54.000 -0.270 0.000 0.951 641 D CB -0.028 40.768 40.800 -0.006 0.000 1.093 641 D HN 0.717 nan 8.370 nan 0.000 0.464 642 W N 0.365 121.611 121.300 -0.089 0.000 2.850 642 W HA 0.808 5.318 4.660 -0.251 0.000 0.349 642 W C -1.151 175.336 176.519 -0.053 0.000 1.133 642 W CA -1.542 55.807 57.345 0.008 0.000 1.117 642 W CB 0.921 30.349 29.460 -0.054 0.000 1.442 642 W HN -0.085 nan 8.180 nan 0.000 0.575 643 A N 2.096 124.929 122.820 0.021 0.000 2.449 643 A HA 0.818 4.989 4.320 -0.249 0.000 0.302 643 A C -1.030 176.535 177.584 -0.031 0.000 1.048 643 A CA -1.168 50.734 52.037 -0.226 0.000 0.708 643 A CB 1.864 20.398 19.000 -0.776 0.000 1.274 643 A HN 0.723 nan 8.150 nan 0.000 0.410 644 R N 0.757 121.394 120.500 0.229 0.000 2.670 644 R HA 0.830 5.021 4.340 -0.249 0.000 0.289 644 R C -1.817 174.649 176.300 0.277 0.000 0.965 644 R CA -0.660 55.614 56.100 0.290 0.000 0.899 644 R CB 1.520 31.992 30.300 0.286 0.000 1.173 644 R HN 0.572 nan 8.270 nan 0.000 0.456 645 L N 2.405 123.794 121.223 0.277 0.000 2.376 645 L HA 0.451 4.642 4.340 -0.249 0.000 0.275 645 L C -1.630 175.314 176.870 0.124 0.000 0.987 645 L CA -0.462 54.489 54.840 0.185 0.000 0.828 645 L CB 1.902 44.061 42.059 0.167 0.000 1.249 645 L HN 0.698 nan 8.230 nan 0.000 0.409 646 D N 6.028 126.490 120.400 0.103 0.000 2.347 646 D HA 0.408 4.899 4.640 -0.249 0.000 0.235 646 D C 0.123 176.471 176.300 0.079 0.000 1.149 646 D CA 0.248 54.300 54.000 0.087 0.000 0.850 646 D CB 0.849 41.700 40.800 0.085 0.000 1.061 646 D HN 0.579 nan 8.370 nan 0.000 0.487 647 I N -1.435 119.177 120.570 0.070 0.000 2.793 647 I HA 0.540 4.560 4.170 -0.249 0.000 0.313 647 I C 0.049 176.237 176.117 0.118 0.000 0.998 647 I CA -1.037 60.305 61.300 0.071 0.000 1.140 647 I CB 1.810 39.815 38.000 0.010 0.000 1.327 647 I HN 0.151 nan 8.210 nan 0.000 0.491 648 S N 2.260 118.054 115.700 0.157 0.000 2.399 648 S HA 0.423 4.744 4.470 -0.249 0.000 0.301 648 S C -0.573 174.206 174.600 0.298 0.000 1.093 648 S CA -0.320 58.000 58.200 0.200 0.000 1.077 648 S CB -0.198 63.123 63.200 0.202 0.000 0.980 648 S HN 0.835 nan 8.310 nan 0.000 0.494 649 H N 2.191 121.345 119.070 0.140 0.000 2.865 649 H HA 0.404 4.809 4.556 -0.251 0.000 0.372 649 H C -0.358 175.049 175.328 0.132 0.000 1.173 649 H CA -1.430 54.717 56.048 0.165 0.000 1.147 649 H CB 1.195 30.982 29.762 0.043 0.000 1.805 649 H HN 0.698 nan 8.280 nan 0.000 0.553 650 Y N 1.953 121.962 120.300 -0.485 0.000 2.583 650 Y HA 0.359 4.759 4.550 -0.251 0.000 0.294 650 Y C -0.119 175.575 175.900 -0.344 0.000 1.170 650 Y CA -0.274 57.625 58.100 -0.335 0.000 1.265 650 Y CB -0.098 38.198 38.460 -0.274 0.000 1.119 650 Y HN 0.514 nan 8.280 nan 0.000 0.522 651 K N -1.224 118.870 120.400 -0.511 0.000 3.255 651 K HA 0.267 4.437 4.320 -0.249 0.000 0.324 651 K C -1.361 175.139 176.600 -0.168 0.000 1.085 651 K CA -0.986 55.143 56.287 -0.262 0.000 0.804 651 K CB 0.456 32.816 32.500 -0.233 0.000 1.480 651 K HN -0.035 nan 8.250 nan 0.000 0.406 652 R N 0.987 121.454 120.500 -0.055 0.000 2.590 652 R HA 0.271 4.462 4.340 -0.249 0.000 0.274 652 R C 0.054 176.380 176.300 0.044 0.000 1.061 652 R CA -0.188 55.917 56.100 0.009 0.000 1.081 652 R CB -0.086 30.219 30.300 0.007 0.000 0.984 652 R HN 0.468 nan 8.270 nan 0.000 0.448 653 I N 2.300 122.912 120.570 0.070 0.000 2.379 653 I HA -0.032 3.988 4.170 -0.249 0.000 0.290 653 I C 1.144 177.274 176.117 0.023 0.000 1.063 653 I CA -0.059 61.270 61.300 0.048 0.000 1.351 653 I CB 0.810 38.821 38.000 0.018 0.000 1.410 653 I HN 0.589 nan 8.210 nan 0.000 0.505 654 S N 5.500 121.212 115.700 0.019 0.000 2.563 654 S HA 0.033 4.354 4.470 -0.249 0.000 0.284 654 S C 1.073 175.677 174.600 0.008 0.000 1.331 654 S CA -0.429 57.779 58.200 0.013 0.000 1.047 654 S CB 1.020 64.229 63.200 0.015 0.000 0.859 654 S HN 0.570 nan 8.310 nan 0.000 0.514 655 E N 1.755 121.960 120.200 0.008 0.000 2.204 655 E HA -0.154 4.047 4.350 -0.249 0.000 0.194 655 E C 1.735 178.338 176.600 0.005 0.000 0.989 655 E CA 1.200 57.604 56.400 0.006 0.000 0.824 655 E CB -0.262 29.442 29.700 0.007 0.000 0.756 655 E HN 0.953 nan 8.360 nan 0.000 0.477 656 E N 1.063 121.267 120.200 0.006 0.000 2.072 656 E HA -0.176 4.024 4.350 -0.249 0.000 0.191 656 E C 1.767 178.369 176.600 0.003 0.000 0.985 656 E CA 1.034 57.438 56.400 0.006 0.000 0.801 656 E CB 0.191 29.896 29.700 0.009 0.000 0.750 656 E HN 0.299 nan 8.360 nan 0.000 0.452 657 E N 0.550 120.751 120.200 0.001 0.000 2.051 657 E HA -0.209 3.992 4.350 -0.249 0.000 0.192 657 E C 2.339 178.930 176.600 -0.014 0.000 0.991 657 E CA 0.928 57.324 56.400 -0.007 0.000 0.799 657 E CB -0.265 29.427 29.700 -0.012 0.000 0.748 657 E HN 0.229 nan 8.360 nan 0.000 0.449 658 L N 1.569 122.785 121.223 -0.013 0.000 2.064 658 L HA -0.291 3.900 4.340 -0.249 0.000 0.216 658 L C 2.199 179.062 176.870 -0.011 0.000 1.077 658 L CA 1.732 56.563 54.840 -0.014 0.000 0.766 658 L CB -0.077 41.980 42.059 -0.003 0.000 0.890 658 L HN -0.018 nan 8.230 nan 0.000 0.435 659 K N -0.401 119.996 120.400 -0.004 0.000 1.984 659 K HA -0.226 3.944 4.320 -0.249 0.000 0.209 659 K C 2.029 178.627 176.600 -0.003 0.000 1.046 659 K CA 1.821 58.107 56.287 -0.002 0.000 0.934 659 K CB -0.471 32.030 32.500 0.002 0.000 0.717 659 K HN 0.482 nan 8.250 nan 0.000 0.438 660 E N 0.702 120.901 120.200 -0.001 0.000 2.108 660 E HA -0.231 3.970 4.350 -0.249 0.000 0.203 660 E C 2.106 178.708 176.600 0.002 0.000 1.022 660 E CA 1.589 57.991 56.400 0.003 0.000 0.823 660 E CB -0.152 29.550 29.700 0.004 0.000 0.744 660 E HN 0.219 nan 8.360 nan 0.000 0.456 661 I N 0.687 121.250 120.570 -0.011 0.000 2.163 661 I HA -0.285 3.735 4.170 -0.249 0.000 0.243 661 I C 2.703 178.807 176.117 -0.020 0.000 1.085 661 I CA 1.559 62.847 61.300 -0.020 0.000 1.347 661 I CB -0.350 37.619 38.000 -0.053 0.000 1.044 661 I HN 0.245 nan 8.210 nan 0.000 0.408 662 E N 0.978 121.161 120.200 -0.027 0.000 2.051 662 E HA -0.292 3.908 4.350 -0.249 0.000 0.192 662 E C 2.343 178.929 176.600 -0.023 0.000 0.991 662 E CA 1.436 57.817 56.400 -0.032 0.000 0.799 662 E CB -0.120 29.570 29.700 -0.018 0.000 0.748 662 E HN 0.389 nan 8.360 nan 0.000 0.449 663 M N 0.324 119.917 119.600 -0.011 0.000 2.106 663 M HA -0.223 4.108 4.480 -0.249 0.000 0.259 663 M C 2.121 178.411 176.300 -0.017 0.000 1.068 663 M CA 1.365 56.659 55.300 -0.011 0.000 1.100 663 M CB -0.020 32.578 32.600 -0.002 0.000 1.351 663 M HN 0.241 nan 8.290 nan 0.000 0.404 664 L N 0.334 121.559 121.223 0.003 0.000 2.023 664 L HA 0.039 4.230 4.340 -0.249 0.000 0.205 664 L C 2.618 179.466 176.870 -0.037 0.000 1.073 664 L CA 2.012 56.864 54.840 0.020 0.000 0.745 664 L CB -1.011 41.117 42.059 0.116 0.000 0.900 664 L HN 0.354 nan 8.230 nan 0.000 0.435 665 A N -0.399 122.416 122.820 -0.008 0.000 1.958 665 A HA -0.284 3.887 4.320 -0.249 0.000 0.221 665 A C 2.113 179.620 177.584 -0.128 0.000 1.178 665 A CA 2.284 54.283 52.037 -0.065 0.000 0.642 665 A CB -0.799 18.160 19.000 -0.068 0.000 0.816 665 A HN 0.622 nan 8.150 nan 0.000 0.453 666 N N -1.029 117.618 118.700 -0.089 0.000 2.250 666 N HA -0.103 4.487 4.740 -0.249 0.000 0.181 666 N C 1.901 177.348 175.510 -0.105 0.000 1.017 666 N CA 0.987 53.987 53.050 -0.083 0.000 0.866 666 N CB -0.427 38.032 38.487 -0.047 0.000 0.985 666 N HN 0.602 nan 8.380 nan 0.000 0.429 667 R N 0.954 121.388 120.500 -0.110 0.000 2.117 667 R HA -0.119 4.072 4.340 -0.249 0.000 0.243 667 R C 1.660 177.844 176.300 -0.193 0.000 1.143 667 R CA 1.175 57.201 56.100 -0.122 0.000 0.968 667 R CB -0.200 30.041 30.300 -0.099 0.000 0.863 667 R HN 0.057 nan 8.270 nan 0.000 0.444 668 I N 0.207 120.592 120.570 -0.310 0.000 2.286 668 I HA -0.190 3.831 4.170 -0.249 0.000 0.245 668 I C 2.324 178.269 176.117 -0.286 0.000 1.104 668 I CA 0.746 61.783 61.300 -0.438 0.000 1.397 668 I CB -0.288 37.180 38.000 -0.887 0.000 1.072 668 I HN -0.072 nan 8.210 nan 0.000 0.417 669 V N 0.329 120.115 119.914 -0.212 0.000 2.343 669 V HA -0.310 3.660 4.120 -0.249 0.000 0.247 669 V C 2.483 178.522 176.094 -0.093 0.000 1.051 669 V CA 1.800 64.024 62.300 -0.126 0.000 1.036 669 V CB -0.770 31.003 31.823 -0.083 0.000 0.654 669 V HN 0.472 nan 8.190 nan 0.000 0.451 670 M N 0.154 119.699 119.600 -0.093 0.000 2.202 670 M HA -0.209 4.122 4.480 -0.249 0.000 0.262 670 M C 2.005 178.261 176.300 -0.073 0.000 1.063 670 M CA 1.907 57.166 55.300 -0.069 0.000 1.097 670 M CB -0.636 31.927 32.600 -0.063 0.000 1.382 670 M HN 0.444 nan 8.290 nan 0.000 0.413 671 E N 0.064 120.200 120.200 -0.106 0.000 2.358 671 E HA -0.124 4.077 4.350 -0.249 0.000 0.195 671 E C -0.176 176.374 176.600 -0.083 0.000 1.010 671 E CA 0.351 56.691 56.400 -0.100 0.000 0.856 671 E CB -0.008 29.610 29.700 -0.137 0.000 0.795 671 E HN 0.515 nan 8.360 nan 0.000 0.504 672 D N 1.102 121.452 120.400 -0.084 0.000 3.278 672 D HA -0.193 4.298 4.640 -0.249 0.000 0.233 672 D C -0.982 175.285 176.300 -0.055 0.000 1.149 672 D CA 0.572 54.539 54.000 -0.056 0.000 0.957 672 D CB -0.480 40.302 40.800 -0.030 0.000 0.913 672 D HN 0.067 nan 8.370 nan 0.000 0.409 673 R N 1.924 122.379 120.500 -0.074 0.000 2.486 673 R HA 0.385 4.576 4.340 -0.249 0.000 0.286 673 R C 0.484 176.764 176.300 -0.033 0.000 0.999 673 R CA -1.070 54.992 56.100 -0.063 0.000 0.993 673 R CB 0.893 31.135 30.300 -0.097 0.000 1.084 673 R HN 0.080 nan 8.270 nan 0.000 0.487 674 K N 1.682 122.066 120.400 -0.027 0.000 2.412 674 K HA 0.122 4.292 4.320 -0.249 0.000 0.281 674 K C -0.319 176.270 176.600 -0.019 0.000 1.027 674 K CA -0.103 56.169 56.287 -0.025 0.000 0.989 674 K CB 0.770 33.243 32.500 -0.045 0.000 0.935 674 K HN 0.251 nan 8.250 nan 0.000 0.475 675 V N 3.607 123.523 119.914 0.003 0.000 2.313 675 V HA 0.161 4.132 4.120 -0.249 0.000 0.278 675 V C 0.624 176.691 176.094 -0.045 0.000 1.017 675 V CA -0.645 61.680 62.300 0.041 0.000 0.823 675 V CB 1.096 33.007 31.823 0.147 0.000 1.010 675 V HN 0.940 nan 8.190 nan 0.000 0.443 676 T N 1.178 115.667 114.554 -0.108 0.000 2.910 676 T HA 0.712 4.912 4.350 -0.249 0.000 0.279 676 T C -0.563 174.095 174.700 -0.069 0.000 0.989 676 T CA -0.599 61.315 62.100 -0.310 0.000 0.968 676 T CB 1.857 70.583 68.868 -0.237 0.000 1.135 676 T HN 1.009 nan 8.240 nan 0.000 0.562 677 W N 0.274 121.523 121.300 -0.085 0.000 0.818 677 W HA 0.330 4.840 4.660 -0.250 0.000 0.322 677 W C -0.346 176.092 176.519 -0.136 0.000 0.895 677 W CA -0.964 56.296 57.345 -0.142 0.000 1.174 677 W CB -1.242 28.123 29.460 -0.158 0.000 1.212 677 W HN 1.053 nan 8.180 nan 0.000 0.497 678 E N 0.140 120.357 120.200 0.027 0.000 2.435 678 E HA 0.127 4.327 4.350 -0.249 0.000 0.256 678 E C -1.049 175.558 176.600 0.013 0.000 1.245 678 E CA -0.175 56.268 56.400 0.073 0.000 0.989 678 E CB 0.892 30.633 29.700 0.068 0.000 0.983 678 E HN 0.316 nan 8.360 nan 0.000 0.480 679 W N 1.159 122.481 121.300 0.037 0.000 2.314 679 W HA 0.424 4.935 4.660 -0.248 0.000 0.310 679 W C -0.600 175.930 176.519 0.019 0.000 1.075 679 W CA -0.384 56.973 57.345 0.019 0.000 1.253 679 W CB 0.909 30.375 29.460 0.011 0.000 1.238 679 W HN 0.328 nan 8.180 nan 0.000 0.440 680 L N 6.649 127.978 121.223 0.178 0.000 2.342 680 L HA 0.565 4.756 4.340 -0.249 0.000 0.271 680 L C -1.907 175.030 176.870 0.111 0.000 1.008 680 L CA -2.323 52.590 54.840 0.120 0.000 0.818 680 L CB 2.309 44.410 42.059 0.071 0.000 1.296 680 L HN 0.089 nan 8.230 nan 0.000 0.427 681 P HA 0.065 nan 4.420 nan 0.000 0.271 681 P C 0.104 177.418 177.300 0.023 0.000 1.216 681 P CA -0.171 62.961 63.100 0.053 0.000 0.771 681 P CB 1.062 32.780 31.700 0.030 0.000 0.864 682 R N 2.515 123.027 120.500 0.019 0.000 2.206 682 R HA -0.221 3.970 4.340 -0.249 0.000 0.240 682 R C 1.836 178.141 176.300 0.008 0.000 1.117 682 R CA 3.051 59.154 56.100 0.006 0.000 0.915 682 R CB -1.275 29.005 30.300 -0.033 0.000 0.888 682 R HN 0.418 nan 8.270 nan 0.000 0.432 683 T N -0.233 114.330 114.554 0.016 0.000 2.737 683 T HA -0.153 4.048 4.350 -0.249 0.000 0.269 683 T C 1.678 176.349 174.700 -0.048 0.000 1.040 683 T CA 1.967 64.070 62.100 0.005 0.000 1.142 683 T CB -0.358 68.524 68.868 0.023 0.000 0.861 683 T HN 0.545 nan 8.240 nan 0.000 0.456 684 T N 1.900 116.424 114.554 -0.049 0.000 2.737 684 T HA 0.043 4.244 4.350 -0.249 0.000 0.265 684 T C 2.413 177.029 174.700 -0.141 0.000 1.038 684 T CA 1.001 63.049 62.100 -0.087 0.000 1.144 684 T CB -0.664 68.165 68.868 -0.066 0.000 0.866 684 T HN 0.418 nan 8.240 nan 0.000 0.434 685 A N 2.031 124.794 122.820 -0.096 0.000 1.869 685 A HA -0.258 3.912 4.320 -0.249 0.000 0.218 685 A C 2.240 179.743 177.584 -0.136 0.000 1.203 685 A CA 2.172 54.163 52.037 -0.078 0.000 0.638 685 A CB -0.918 18.073 19.000 -0.015 0.000 0.831 685 A HN 0.589 nan 8.150 nan 0.000 0.450 686 E N -0.670 119.434 120.200 -0.161 0.000 2.049 686 E HA -0.237 3.964 4.350 -0.249 0.000 0.198 686 E C 2.421 178.825 176.600 -0.327 0.000 1.007 686 E CA 1.523 57.747 56.400 -0.293 0.000 0.809 686 E CB -0.179 29.333 29.700 -0.313 0.000 0.749 686 E HN 0.603 nan 8.360 nan 0.000 0.450 687 Q N 0.517 120.168 119.800 -0.247 0.000 2.096 687 Q HA -0.210 3.981 4.340 -0.249 0.000 0.204 687 Q C 2.101 177.961 176.000 -0.233 0.000 0.982 687 Q CA 1.367 57.041 55.803 -0.216 0.000 0.850 687 Q CB -0.322 28.330 28.738 -0.144 0.000 0.901 687 Q HN 0.183 nan 8.270 nan 0.000 0.422 688 K N -0.394 119.818 120.400 -0.314 0.000 2.057 688 K HA -0.135 4.036 4.320 -0.249 0.000 0.206 688 K C 1.392 177.718 176.600 -0.456 0.000 1.050 688 K CA 1.218 57.220 56.287 -0.476 0.000 0.935 688 K CB 0.070 32.109 32.500 -0.767 0.000 0.715 688 K HN 0.096 nan 8.250 nan 0.000 0.439 689 Y N -0.924 119.289 120.300 -0.145 0.000 2.535 689 Y HA 0.346 4.744 4.550 -0.252 0.000 0.266 689 Y C 0.894 176.703 175.900 -0.152 0.000 1.088 689 Y CA 0.233 58.248 58.100 -0.143 0.000 1.285 689 Y CB 0.988 39.354 38.460 -0.156 0.000 1.166 689 Y HN 0.269 nan 8.280 nan 0.000 0.525 690 G N -0.520 108.230 108.800 -0.083 0.000 2.603 690 G HA2 -0.220 3.591 3.960 -0.249 0.000 0.686 690 G HA3 -0.220 3.591 3.960 -0.249 0.000 0.686 690 G C -0.177 174.640 174.900 -0.139 0.000 1.286 690 G CA -0.562 44.454 45.100 -0.139 0.000 0.871 690 G HN -0.010 nan 8.290 nan 0.000 0.568 691 F N 0.465 120.530 119.950 0.192 0.000 2.546 691 F HA 0.088 4.517 4.527 -0.164 0.000 0.298 691 F C 2.817 178.870 175.800 0.422 0.000 1.120 691 F CA 1.070 59.292 58.000 0.370 0.000 1.456 691 F CB -0.027 39.284 39.000 0.519 0.000 1.088 691 F HN 0.389 nan 8.300 nan 0.000 0.572 692 R N 0.302 121.005 120.500 0.339 0.000 2.316 692 R HA -0.169 4.022 4.340 -0.249 0.000 0.232 692 R C 1.981 178.138 176.300 -0.237 0.000 1.137 692 R CA 0.788 56.820 56.100 -0.114 0.000 1.012 692 R CB -0.636 29.549 30.300 -0.191 0.000 0.859 692 R HN 0.402 nan 8.270 nan 0.000 0.474 693 L N -0.700 120.415 121.223 -0.180 0.000 2.093 693 L HA -0.153 4.038 4.340 -0.249 0.000 0.208 693 L C 0.546 177.262 176.870 -0.257 0.000 1.085 693 L CA 1.059 55.701 54.840 -0.330 0.000 0.755 693 L CB -0.252 41.506 42.059 -0.501 0.000 0.904 693 L HN 0.142 nan 8.230 nan 0.000 0.435 694 Y N 0.544 120.967 120.300 0.205 0.000 2.632 694 Y HA 0.061 4.465 4.550 -0.244 0.000 0.336 694 Y C 1.328 177.412 175.900 0.307 0.000 1.237 694 Y CA -0.689 57.577 58.100 0.276 0.000 1.595 694 Y CB 0.169 38.878 38.460 0.414 0.000 1.508 694 Y HN 0.139 nan 8.280 nan 0.000 0.480 695 Q N 1.797 121.702 119.800 0.175 0.000 2.205 695 Q HA 0.097 4.288 4.340 -0.249 0.000 0.193 695 Q C 1.647 177.747 176.000 0.166 0.000 0.995 695 Q CA 0.609 56.424 55.803 0.021 0.000 0.842 695 Q CB -0.546 28.045 28.738 -0.245 0.000 0.941 695 Q HN 0.741 nan 8.270 nan 0.000 0.515 696 G N 0.939 109.802 108.800 0.106 0.000 3.284 696 G HA2 0.398 4.209 3.960 -0.249 0.000 0.251 696 G HA3 0.398 4.209 3.960 -0.249 0.000 0.251 696 G C 0.406 175.405 174.900 0.164 0.000 0.913 696 G CA 0.632 45.809 45.100 0.129 0.000 1.947 696 G HN 0.508 nan 8.290 nan 0.000 0.635 697 G N -1.099 107.822 108.800 0.201 0.000 2.512 697 G HA2 0.002 3.813 3.960 -0.249 0.000 0.210 697 G HA3 0.002 3.813 3.960 -0.249 0.000 0.210 697 G C -0.665 174.370 174.900 0.226 0.000 1.295 697 G CA -0.309 44.900 45.100 0.181 0.000 0.934 697 G HN 1.055 nan 8.290 nan 0.000 0.554 698 V N 1.179 121.203 119.914 0.184 0.000 2.385 698 V HA 0.519 4.489 4.120 -0.249 0.000 0.277 698 V C 0.827 177.050 176.094 0.216 0.000 1.012 698 V CA -0.138 62.267 62.300 0.176 0.000 0.832 698 V CB 0.842 32.746 31.823 0.134 0.000 1.028 698 V HN 1.628 nan 8.190 nan 0.000 0.436 699 V N 4.006 124.043 119.914 0.204 0.000 2.557 699 V HA 0.265 4.236 4.120 -0.249 0.000 0.301 699 V C -1.482 174.653 176.094 0.068 0.000 1.026 699 V CA -0.818 61.575 62.300 0.155 0.000 1.137 699 V CB -0.193 31.715 31.823 0.142 0.000 0.917 699 V HN 0.695 nan 8.190 nan 0.000 0.484 700 P HA 0.721 nan 4.420 nan 0.000 0.279 700 P C 0.164 177.512 177.300 0.079 0.000 1.252 700 P CA 0.466 63.659 63.100 0.156 0.000 0.811 700 P CB 1.567 33.454 31.700 0.312 0.000 1.035 701 G N 0.554 109.388 108.800 0.058 0.000 2.375 701 G HA2 -0.077 3.733 3.960 -0.249 0.000 0.663 701 G HA3 -0.077 3.733 3.960 -0.249 0.000 0.663 701 G C 0.411 175.337 174.900 0.044 0.000 1.391 701 G CA -0.752 44.407 45.100 0.098 0.000 0.949 701 G HN 0.405 nan 8.290 nan 0.000 0.646 702 R N -0.053 120.499 120.500 0.087 0.000 2.073 702 R HA 0.050 4.240 4.340 -0.249 0.000 0.229 702 R C 0.762 177.112 176.300 0.085 0.000 1.120 702 R CA 1.113 57.253 56.100 0.068 0.000 0.967 702 R CB 0.131 30.466 30.300 0.057 0.000 0.862 702 R HN 0.638 nan 8.270 nan 0.000 0.436 703 E N 1.137 121.435 120.200 0.163 0.000 2.191 703 E HA 0.364 4.564 4.350 -0.249 0.000 0.274 703 E C -0.629 176.206 176.600 0.391 0.000 0.948 703 E CA -0.516 56.055 56.400 0.285 0.000 0.802 703 E CB 2.095 32.013 29.700 0.363 0.000 1.137 703 E HN 0.111 nan 8.360 nan 0.000 0.397 704 I N -1.027 119.671 120.570 0.213 0.000 2.545 704 I HA 0.508 4.529 4.170 -0.249 0.000 0.292 704 I C -0.248 175.636 176.117 -0.389 0.000 1.040 704 I CA -1.099 60.175 61.300 -0.044 0.000 1.068 704 I CB 2.009 39.986 38.000 -0.039 0.000 1.251 704 I HN 0.216 nan 8.210 nan 0.000 0.424 705 R N 4.559 124.518 120.500 -0.902 0.000 2.248 705 R HA 0.497 4.688 4.340 -0.249 0.000 0.328 705 R C -1.437 174.552 176.300 -0.518 0.000 1.067 705 R CA -0.330 55.067 56.100 -1.173 0.000 0.924 705 R CB 1.092 30.455 30.300 -1.562 0.000 1.013 705 R HN 0.687 nan 8.270 nan 0.000 0.454 706 V N 6.450 126.156 119.914 -0.347 0.000 2.293 706 V HA 0.173 4.144 4.120 -0.249 0.000 0.275 706 V C -0.002 176.002 176.094 -0.151 0.000 1.021 706 V CA -0.705 61.470 62.300 -0.210 0.000 0.815 706 V CB 1.473 33.219 31.823 -0.128 0.000 1.025 706 V HN 0.478 nan 8.190 nan 0.000 0.448 707 V N 5.060 124.894 119.914 -0.133 0.000 2.583 707 V HA 0.417 4.388 4.120 -0.249 0.000 0.287 707 V C 0.139 176.152 176.094 -0.136 0.000 1.051 707 V CA -0.370 61.880 62.300 -0.084 0.000 1.010 707 V CB 1.357 33.071 31.823 -0.181 0.000 0.988 707 V HN 0.839 nan 8.190 nan 0.000 0.478 708 K N 4.569 124.909 120.400 -0.100 0.000 2.507 708 K HA 0.581 4.751 4.320 -0.249 0.000 0.251 708 K C -1.426 175.145 176.600 -0.048 0.000 0.943 708 K CA -0.670 55.537 56.287 -0.133 0.000 0.794 708 K CB 1.623 34.000 32.500 -0.205 0.000 1.188 708 K HN 0.615 nan 8.250 nan 0.000 0.428 709 I N 3.520 124.091 120.570 0.001 0.000 2.304 709 I HA 0.096 4.116 4.170 -0.249 0.000 0.291 709 I C 0.461 176.627 176.117 0.082 0.000 1.018 709 I CA -0.475 60.861 61.300 0.060 0.000 1.260 709 I CB 1.344 39.427 38.000 0.139 0.000 1.390 709 I HN 0.650 nan 8.210 nan 0.000 0.475 710 E N 6.715 126.938 120.200 0.039 0.000 2.868 710 E HA -0.184 4.017 4.350 -0.249 0.000 0.246 710 E C -0.309 176.349 176.600 0.097 0.000 0.962 710 E CA 0.328 56.751 56.400 0.039 0.000 0.955 710 E CB 0.115 29.820 29.700 0.008 0.000 0.903 710 E HN 0.502 nan 8.360 nan 0.000 0.524 711 D N 3.252 123.708 120.400 0.093 0.000 2.702 711 D HA -0.240 4.251 4.640 -0.249 0.000 0.233 711 D C -0.388 176.067 176.300 0.257 0.000 1.164 711 D CA 1.004 55.079 54.000 0.125 0.000 0.638 711 D CB -0.788 40.076 40.800 0.106 0.000 1.041 711 D HN 0.668 nan 8.370 nan 0.000 0.422 712 W N -0.436 120.826 121.300 -0.064 0.000 5.029 712 W HA 0.070 4.584 4.660 -0.245 0.000 0.184 712 W C -0.441 176.018 176.519 -0.100 0.000 1.092 712 W CA 0.133 57.435 57.345 -0.073 0.000 2.098 712 W CB 0.780 30.200 29.460 -0.066 0.000 0.777 712 W HN -0.038 nan 8.180 nan 0.000 1.010 713 D N 0.923 121.327 120.400 0.008 0.000 2.947 713 D HA 0.428 4.919 4.640 -0.249 0.000 0.224 713 D C -1.851 174.351 176.300 -0.163 0.000 1.230 713 D CA -0.199 53.706 54.000 -0.158 0.000 0.871 713 D CB 2.705 43.460 40.800 -0.075 0.000 1.671 713 D HN -0.151 nan 8.370 nan 0.000 0.507 714 V N 3.317 123.067 119.914 -0.273 0.000 2.841 714 V HA 0.750 4.720 4.120 -0.249 0.000 0.310 714 V C -1.606 174.272 176.094 -0.359 0.000 1.090 714 V CA -0.181 61.898 62.300 -0.368 0.000 0.930 714 V CB 1.872 33.331 31.823 -0.606 0.000 1.014 714 V HN 0.722 nan 8.190 nan 0.000 0.425 715 Q N 3.480 123.081 119.800 -0.331 0.000 2.443 715 Q HA 0.547 4.737 4.340 -0.249 0.000 0.258 715 Q C -0.858 175.017 176.000 -0.209 0.000 0.967 715 Q CA -0.121 55.504 55.803 -0.296 0.000 0.951 715 Q CB 1.946 30.454 28.738 -0.384 0.000 1.459 715 Q HN 1.020 nan 8.270 nan 0.000 0.415 716 A N 2.308 125.017 122.820 -0.185 0.000 2.916 716 A HA 0.260 4.430 4.320 -0.249 0.000 0.254 716 A C 0.339 177.894 177.584 -0.047 0.000 1.544 716 A CA -0.201 51.751 52.037 -0.142 0.000 1.224 716 A CB -1.061 17.845 19.000 -0.158 0.000 1.012 716 A HN 0.670 nan 8.150 nan 0.000 0.636 717 C N -0.397 118.908 119.300 0.008 0.000 2.604 717 C HA 0.639 4.950 4.460 -0.249 0.000 0.396 717 C C 1.534 176.595 174.990 0.117 0.000 1.282 717 C CA 0.286 59.394 59.018 0.151 0.000 2.292 717 C CB 0.511 28.480 27.740 0.382 0.000 2.633 717 C HN 0.653 nan 8.230 nan 0.000 0.620 718 G N 2.419 111.345 108.800 0.210 0.000 3.277 718 G HA2 0.468 4.279 3.960 -0.249 0.000 0.243 718 G HA3 0.468 4.279 3.960 -0.249 0.000 0.243 718 G C 0.583 175.716 174.900 0.388 0.000 1.107 718 G CA 0.576 45.845 45.100 0.281 0.000 0.771 718 G HN 1.208 nan 8.290 nan 0.000 0.544 719 G N 0.272 109.188 108.800 0.193 0.000 2.580 719 G HA2 0.443 4.254 3.960 -0.249 0.000 0.278 719 G HA3 0.443 4.254 3.960 -0.249 0.000 0.278 719 G C 0.309 174.918 174.900 -0.486 0.000 1.212 719 G CA 0.201 45.083 45.100 -0.363 0.000 0.939 719 G HN 0.346 nan 8.290 nan 0.000 0.513 720 T N -1.782 112.203 114.554 -0.948 0.000 2.889 720 T HA 0.550 4.751 4.350 -0.249 0.000 0.291 720 T C -0.412 173.821 174.700 -0.778 0.000 0.995 720 T CA -0.512 61.160 62.100 -0.714 0.000 1.092 720 T CB 1.103 69.550 68.868 -0.701 0.000 0.954 720 T HN 0.515 nan 8.240 nan 0.000 0.506 721 H N 1.216 119.967 119.070 -0.532 0.000 2.895 721 H HA 0.403 4.809 4.556 -0.250 0.000 0.373 721 H C -0.191 174.943 175.328 -0.323 0.000 1.174 721 H CA -0.746 55.066 56.048 -0.393 0.000 1.144 721 H CB 1.782 31.307 29.762 -0.395 0.000 1.793 721 H HN 0.552 nan 8.280 nan 0.000 0.551 722 L N 2.855 124.092 121.223 0.022 0.000 2.464 722 L HA 0.144 4.335 4.340 -0.249 0.000 0.264 722 L C -1.221 175.861 176.870 0.355 0.000 1.199 722 L CA -1.404 53.516 54.840 0.133 0.000 0.818 722 L CB 0.439 42.580 42.059 0.137 0.000 1.102 722 L HN 0.483 nan 8.230 nan 0.000 0.473 723 P HA 0.080 nan 4.420 nan 0.000 0.261 723 P C -0.107 177.314 177.300 0.203 0.000 1.268 723 P CA 0.275 63.621 63.100 0.409 0.000 0.833 723 P CB 0.947 32.896 31.700 0.415 0.000 1.231 724 S N -1.261 114.544 115.700 0.176 0.000 2.537 724 S HA 0.313 4.633 4.470 -0.249 0.000 0.271 724 S C 0.761 175.401 174.600 0.067 0.000 1.148 724 S CA -0.221 58.032 58.200 0.089 0.000 0.868 724 S CB 0.979 64.223 63.200 0.073 0.000 1.115 724 S HN 0.063 nan 8.310 nan 0.000 0.461 725 T N 0.205 114.767 114.554 0.013 0.000 3.088 725 T HA 0.145 4.346 4.350 -0.249 0.000 0.259 725 T C 1.815 176.507 174.700 -0.014 0.000 1.122 725 T CA 1.076 63.166 62.100 -0.016 0.000 1.095 725 T CB -0.435 68.380 68.868 -0.087 0.000 0.930 725 T HN 0.663 nan 8.240 nan 0.000 0.508 726 G N 2.328 111.128 108.800 -0.001 0.000 2.421 726 G HA2 -0.046 3.765 3.960 -0.249 0.000 0.216 726 G HA3 -0.046 3.765 3.960 -0.249 0.000 0.216 726 G C 1.120 176.037 174.900 0.028 0.000 1.171 726 G CA 0.512 45.614 45.100 0.004 0.000 0.775 726 G HN 0.576 nan 8.290 nan 0.000 0.543 727 L N 1.199 122.457 121.223 0.057 0.000 2.747 727 L HA 0.160 4.350 4.340 -0.249 0.000 0.248 727 L C 1.671 178.586 176.870 0.075 0.000 1.191 727 L CA -0.358 54.532 54.840 0.083 0.000 1.003 727 L CB 0.339 42.478 42.059 0.133 0.000 1.235 727 L HN 0.046 nan 8.230 nan 0.000 0.426 728 V N -1.013 118.932 119.914 0.051 0.000 3.048 728 V HA 0.402 4.373 4.120 -0.249 0.000 0.241 728 V C 1.291 177.413 176.094 0.046 0.000 1.129 728 V CA 0.642 62.972 62.300 0.049 0.000 1.128 728 V CB -0.113 31.729 31.823 0.032 0.000 0.849 728 V HN 0.610 nan 8.190 nan 0.000 0.475 729 G N 1.060 109.879 108.800 0.032 0.000 2.846 729 G HA2 -0.136 3.674 3.960 -0.249 0.000 0.660 729 G HA3 -0.136 3.674 3.960 -0.249 0.000 0.660 729 G C -2.698 172.218 174.900 0.025 0.000 1.464 729 G CA -0.755 44.364 45.100 0.031 0.000 0.891 729 G HN 0.284 nan 8.290 nan 0.000 0.552 730 P HA 0.149 nan 4.420 nan 0.000 0.261 730 P C 0.272 177.593 177.300 0.035 0.000 1.165 730 P CA 0.440 63.553 63.100 0.021 0.000 0.759 730 P CB 0.222 31.938 31.700 0.026 0.000 0.772 731 I N 3.876 124.461 120.570 0.025 0.000 2.312 731 I HA 0.223 4.244 4.170 -0.249 0.000 0.290 731 I C 0.833 176.985 176.117 0.058 0.000 1.008 731 I CA -0.544 60.786 61.300 0.049 0.000 1.226 731 I CB 0.901 38.902 38.000 0.002 0.000 1.371 731 I HN 0.094 nan 8.210 nan 0.000 0.468 732 K N 7.764 128.227 120.400 0.104 0.000 2.265 732 K HA 0.514 4.685 4.320 -0.249 0.000 0.267 732 K C -0.671 176.018 176.600 0.148 0.000 0.994 732 K CA -0.669 55.675 56.287 0.095 0.000 0.860 732 K CB 1.589 34.139 32.500 0.084 0.000 1.099 732 K HN 0.563 nan 8.250 nan 0.000 0.448 733 I N 6.767 127.399 120.570 0.104 0.000 2.352 733 I HA 0.016 4.036 4.170 -0.249 0.000 0.290 733 I C 1.426 177.602 176.117 0.097 0.000 1.036 733 I CA -0.121 61.253 61.300 0.122 0.000 1.336 733 I CB 0.965 38.995 38.000 0.050 0.000 1.407 733 I HN 0.515 nan 8.210 nan 0.000 0.497 734 L N 6.188 127.480 121.223 0.115 0.000 2.117 734 L HA 0.197 4.388 4.340 -0.249 0.000 0.200 734 L C 0.984 177.877 176.870 0.038 0.000 1.110 734 L CA 0.553 55.431 54.840 0.064 0.000 0.774 734 L CB -0.228 41.861 42.059 0.050 0.000 0.934 734 L HN 0.618 nan 8.230 nan 0.000 0.456 735 R N -0.434 120.087 120.500 0.034 0.000 2.739 735 R HA 0.355 4.546 4.340 -0.249 0.000 0.271 735 R C -1.154 175.162 176.300 0.027 0.000 1.010 735 R CA -0.524 55.587 56.100 0.019 0.000 0.897 735 R CB 1.830 32.128 30.300 -0.003 0.000 1.236 735 R HN -0.064 nan 8.270 nan 0.000 0.466 736 T N 0.426 114.993 114.554 0.021 0.000 2.922 736 T HA 0.403 4.603 4.350 -0.249 0.000 0.285 736 T C -1.025 173.684 174.700 0.015 0.000 1.005 736 T CA -0.259 61.855 62.100 0.023 0.000 1.061 736 T CB 0.622 69.502 68.868 0.020 0.000 1.007 736 T HN 0.703 nan 8.240 nan 0.000 0.502 737 E N 2.376 122.588 120.200 0.020 0.000 2.388 737 E HA 0.268 4.469 4.350 -0.249 0.000 0.289 737 E C -0.964 175.648 176.600 0.021 0.000 0.944 737 E CA -0.984 55.423 56.400 0.013 0.000 0.792 737 E CB 0.810 30.508 29.700 -0.003 0.000 1.239 737 E HN 0.507 nan 8.360 nan 0.000 0.412 738 R N 4.062 124.573 120.500 0.019 0.000 2.345 738 R HA 0.088 4.279 4.340 -0.249 0.000 0.331 738 R C 0.402 176.715 176.300 0.020 0.000 1.067 738 R CA -0.222 55.892 56.100 0.023 0.000 0.962 738 R CB 0.272 30.582 30.300 0.018 0.000 0.987 738 R HN 0.660 nan 8.270 nan 0.000 0.451 739 I N 3.002 123.589 120.570 0.028 0.000 2.233 739 I HA -0.206 3.814 4.170 -0.249 0.000 0.243 739 I C 1.105 177.235 176.117 0.022 0.000 1.093 739 I CA 1.522 62.837 61.300 0.026 0.000 1.380 739 I CB -0.717 37.305 38.000 0.035 0.000 1.067 739 I HN 0.717 nan 8.210 nan 0.000 0.413 740 Q N -1.600 118.217 119.800 0.027 0.000 2.819 740 Q HA 0.244 4.435 4.340 -0.249 0.000 0.335 740 Q C -1.195 174.822 176.000 0.029 0.000 0.779 740 Q CA -0.845 54.973 55.803 0.024 0.000 0.848 740 Q CB 0.829 29.580 28.738 0.023 0.000 1.332 740 Q HN -0.084 nan 8.270 nan 0.000 0.505 741 D N 0.242 120.659 120.400 0.028 0.000 2.349 741 D HA 0.242 4.733 4.640 -0.249 0.000 0.266 741 D C 0.613 176.940 176.300 0.045 0.000 1.293 741 D CA 2.264 56.283 54.000 0.033 0.000 0.926 741 D CB 0.462 41.281 40.800 0.031 0.000 1.090 741 D HN 0.833 nan 8.370 nan 0.000 0.502 742 G N 2.070 110.900 108.800 0.051 0.000 2.175 742 G HA2 -0.240 3.570 3.960 -0.249 0.000 0.244 742 G HA3 -0.240 3.570 3.960 -0.249 0.000 0.244 742 G C 0.198 175.157 174.900 0.097 0.000 0.982 742 G CA -0.027 45.118 45.100 0.076 0.000 0.641 742 G HN 0.488 nan 8.290 nan 0.000 0.527 743 V N 1.514 121.476 119.914 0.080 0.000 2.444 743 V HA 0.669 4.639 4.120 -0.249 0.000 0.294 743 V C -0.414 175.729 176.094 0.081 0.000 1.022 743 V CA -1.064 61.289 62.300 0.088 0.000 0.850 743 V CB 1.774 33.640 31.823 0.071 0.000 0.992 743 V HN 0.283 nan 8.190 nan 0.000 0.426 744 E N 3.510 123.769 120.200 0.099 0.000 2.235 744 E HA 0.622 4.823 4.350 -0.249 0.000 0.265 744 E C -0.672 175.971 176.600 0.070 0.000 0.940 744 E CA -0.971 55.478 56.400 0.083 0.000 0.819 744 E CB 2.875 32.639 29.700 0.107 0.000 1.206 744 E HN 0.608 nan 8.360 nan 0.000 0.409 745 R N 1.246 121.781 120.500 0.058 0.000 2.561 745 R HA 0.516 4.707 4.340 -0.249 0.000 0.297 745 R C -1.256 175.083 176.300 0.064 0.000 0.969 745 R CA -0.598 55.540 56.100 0.063 0.000 0.879 745 R CB 0.665 30.997 30.300 0.054 0.000 1.178 745 R HN 0.368 nan 8.270 nan 0.000 0.445 746 I N 5.737 126.362 120.570 0.092 0.000 2.389 746 I HA 0.346 4.366 4.170 -0.249 0.000 0.288 746 I C -0.628 175.623 176.117 0.223 0.000 0.999 746 I CA -0.525 60.843 61.300 0.114 0.000 1.129 746 I CB 1.637 39.679 38.000 0.070 0.000 1.288 746 I HN 0.466 nan 8.210 nan 0.000 0.444 747 I N 6.980 127.662 120.570 0.186 0.000 2.498 747 I HA 0.706 4.727 4.170 -0.249 0.000 0.301 747 I C -0.312 175.993 176.117 0.313 0.000 0.984 747 I CA -0.481 60.947 61.300 0.213 0.000 1.204 747 I CB 0.924 38.935 38.000 0.018 0.000 1.362 747 I HN 0.550 nan 8.210 nan 0.000 0.471 748 F N 2.087 122.100 119.950 0.105 0.000 2.741 748 F HA 0.923 5.300 4.527 -0.250 0.000 0.311 748 F C -1.420 174.441 175.800 0.103 0.000 1.149 748 F CA -1.224 56.816 58.000 0.066 0.000 0.930 748 F CB 1.332 40.337 39.000 0.008 0.000 1.312 748 F HN 0.556 nan 8.300 nan 0.000 0.450 749 A N 0.951 123.841 122.820 0.117 0.000 2.375 749 A HA 0.686 4.856 4.320 -0.249 0.000 0.295 749 A C -0.348 177.268 177.584 0.054 0.000 1.066 749 A CA -0.589 51.471 52.037 0.038 0.000 0.722 749 A CB 0.473 19.577 19.000 0.175 0.000 1.206 749 A HN 1.079 nan 8.150 nan 0.000 0.435 750 C N 1.583 120.790 119.300 -0.155 0.000 8.332 750 C HA 0.718 5.029 4.460 -0.249 0.000 0.238 750 C C 1.741 176.795 174.990 0.105 0.000 1.586 750 C CA 0.706 59.719 59.018 -0.009 0.000 1.936 750 C CB -1.519 26.165 27.740 -0.093 0.000 1.747 750 C HN 2.239 nan 8.230 nan 0.000 0.229 751 G N 0.513 109.408 108.800 0.158 0.000 2.916 751 G HA2 -0.027 3.784 3.960 -0.249 0.000 0.533 751 G HA3 -0.027 3.784 3.960 -0.249 0.000 0.533 751 G C -0.605 174.344 174.900 0.081 0.000 1.516 751 G CA -0.118 45.059 45.100 0.128 0.000 0.944 751 G HN 0.693 nan 8.290 nan 0.000 0.555 752 E N 0.000 120.239 120.200 0.065 0.000 2.725 752 E HA 0.000 4.201 4.350 -0.249 0.000 0.291 752 E CA 0.000 56.431 56.400 0.051 0.000 0.976 752 E CB 0.000 29.729 29.700 0.048 0.000 0.812 752 E HN 0.000 nan 8.360 nan 0.000 0.440