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 1t03_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDICKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIRK 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.341 177.300 0.069 0.000 1.155 1 P CA 0.000 63.126 63.100 0.044 0.000 0.800 1 P CB 0.000 31.721 31.700 0.035 0.000 0.726 2 I N 0.313 120.920 120.570 0.062 0.000 2.676 2 I HA 0.435 4.605 4.170 -0.000 0.000 0.309 2 I C 0.615 176.780 176.117 0.080 0.000 0.990 2 I CA -0.488 60.864 61.300 0.087 0.000 1.168 2 I CB 1.809 39.857 38.000 0.080 0.000 1.343 2 I HN 0.312 nan 8.210 nan 0.000 0.482 3 S N 5.045 120.813 115.700 0.114 0.000 2.562 3 S HA 0.319 4.789 4.470 -0.000 0.000 0.275 3 S C -1.897 172.774 174.600 0.118 0.000 1.281 3 S CA -0.714 57.570 58.200 0.140 0.000 1.045 3 S CB 0.955 64.276 63.200 0.202 0.000 0.962 3 S HN 0.425 nan 8.310 nan 0.000 0.503 4 P HA 0.259 nan 4.420 nan 0.000 0.256 4 P C -0.489 176.939 177.300 0.213 0.000 1.384 4 P CA 0.048 63.162 63.100 0.022 0.000 0.879 4 P CB -0.181 31.374 31.700 -0.242 0.000 1.403 5 I N -0.402 120.367 120.570 0.332 0.000 2.638 5 I HA 0.097 4.267 4.170 -0.000 0.000 0.286 5 I C 1.186 177.405 176.117 0.170 0.000 1.088 5 I CA -0.684 60.811 61.300 0.325 0.000 1.397 5 I CB 0.490 38.604 38.000 0.190 0.000 1.414 5 I HN -0.012 nan 8.210 nan 0.000 0.566 6 E N 3.428 123.709 120.200 0.134 0.000 2.418 6 E HA 0.024 4.374 4.350 -0.000 0.000 0.261 6 E C -0.468 176.178 176.600 0.076 0.000 1.070 6 E CA -0.381 56.073 56.400 0.090 0.000 0.931 6 E CB 0.762 30.504 29.700 0.070 0.000 0.954 6 E HN 0.681 nan 8.360 nan 0.000 0.439 7 T N 0.274 114.870 114.554 0.070 0.000 2.744 7 T HA 0.314 4.664 4.350 -0.000 0.000 0.291 7 T C -0.049 174.690 174.700 0.066 0.000 0.957 7 T CA -1.013 61.131 62.100 0.072 0.000 1.002 7 T CB 1.021 69.933 68.868 0.074 0.000 0.919 7 T HN 0.190 nan 8.240 nan 0.000 0.468 8 V N 6.995 126.953 119.914 0.074 0.000 2.485 8 V HA 0.227 4.347 4.120 -0.000 0.000 0.287 8 V C -1.506 174.631 176.094 0.073 0.000 1.022 8 V CA -1.339 61.006 62.300 0.076 0.000 1.067 8 V CB -0.171 31.714 31.823 0.104 0.000 0.967 8 V HN 0.832 nan 8.190 nan 0.000 0.479 9 P HA 0.281 nan 4.420 nan 0.000 0.282 9 P C -0.731 176.561 177.300 -0.013 0.000 1.262 9 P CA 0.030 63.144 63.100 0.024 0.000 0.773 9 P CB 1.425 33.138 31.700 0.021 0.000 0.879 10 V N 1.211 121.085 119.914 -0.066 0.000 2.604 10 V HA 0.613 4.733 4.120 -0.000 0.000 0.305 10 V C -0.277 175.737 176.094 -0.134 0.000 1.043 10 V CA -0.879 61.318 62.300 -0.171 0.000 0.888 10 V CB 2.128 33.814 31.823 -0.229 0.000 0.995 10 V HN 0.347 nan 8.190 nan 0.000 0.429 11 K N 3.755 124.107 120.400 -0.081 0.000 2.280 11 K HA 0.731 5.051 4.320 -0.000 0.000 0.234 11 K C -0.983 175.681 176.600 0.106 0.000 1.028 11 K CA -0.944 55.382 56.287 0.065 0.000 0.882 11 K CB 2.127 34.642 32.500 0.025 0.000 1.194 11 K HN 0.641 nan 8.250 nan 0.000 0.458 12 L N 1.553 122.866 121.223 0.149 0.000 2.399 12 L HA 0.313 4.653 4.340 -0.000 0.000 0.265 12 L C 0.178 177.067 176.870 0.031 0.000 1.089 12 L CA -0.757 54.143 54.840 0.099 0.000 0.802 12 L CB 0.894 42.945 42.059 -0.015 0.000 1.180 12 L HN 0.425 nan 8.230 nan 0.000 0.454 13 K N 1.849 122.259 120.400 0.018 0.000 2.550 13 K HA -0.003 4.317 4.320 -0.000 0.000 0.280 13 K C -2.244 174.359 176.600 0.004 0.000 0.987 13 K CA -1.176 55.111 56.287 -0.000 0.000 1.048 13 K CB -0.264 32.239 32.500 0.004 0.000 0.879 13 K HN 0.262 nan 8.250 nan 0.000 0.491 14 P HA -0.164 nan 4.420 nan 0.000 0.255 14 P C 0.630 177.937 177.300 0.012 0.000 1.161 14 P CA 1.385 64.490 63.100 0.007 0.000 0.768 14 P CB 0.181 31.883 31.700 0.002 0.000 0.746 15 G N 2.304 111.116 108.800 0.019 0.000 2.205 15 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.261 15 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.261 15 G C 0.375 175.288 174.900 0.023 0.000 0.980 15 G CA 0.040 45.154 45.100 0.022 0.000 0.632 15 G HN 0.433 nan 8.290 nan 0.000 0.533 16 M N -0.201 119.407 119.600 0.014 0.000 2.012 16 M HA 0.589 5.069 4.480 -0.000 0.000 0.248 16 M C 0.234 176.534 176.300 0.001 0.000 1.238 16 M CA -0.019 55.285 55.300 0.007 0.000 0.980 16 M CB 0.563 33.160 32.600 -0.005 0.000 1.346 16 M HN 0.196 nan 8.290 nan 0.000 0.511 17 D N -1.208 119.186 120.400 -0.010 0.000 2.570 17 D HA 0.467 5.107 4.640 -0.000 0.000 0.244 17 D C -0.541 175.709 176.300 -0.083 0.000 1.178 17 D CA -0.211 53.790 54.000 0.002 0.000 0.881 17 D CB 1.445 42.321 40.800 0.127 0.000 1.453 17 D HN 0.664 nan 8.370 nan 0.000 0.447 18 G N 0.631 109.319 108.800 -0.187 0.000 2.771 18 G HA2 0.274 4.234 3.960 -0.000 0.000 0.242 18 G HA3 0.274 4.234 3.960 -0.000 0.000 0.242 18 G C -2.147 172.828 174.900 0.126 0.000 1.233 18 G CA -0.692 44.173 45.100 -0.392 0.000 0.858 18 G HN 0.460 nan 8.290 nan 0.000 0.591 19 P HA 0.301 nan 4.420 nan 0.000 0.293 19 P C -1.010 176.413 177.300 0.205 0.000 1.313 19 P CA -0.305 62.876 63.100 0.135 0.000 0.787 19 P CB 1.255 33.011 31.700 0.092 0.000 0.910 20 K N 2.583 123.058 120.400 0.125 0.000 2.682 20 K HA 0.364 4.684 4.320 -0.000 0.000 0.189 20 K C -0.764 175.843 176.600 0.013 0.000 1.062 20 K CA -0.542 55.781 56.287 0.059 0.000 0.997 20 K CB 1.080 33.583 32.500 0.004 0.000 1.405 20 K HN 0.222 nan 8.250 nan 0.000 0.588 21 V N 4.583 124.492 119.914 -0.008 0.000 2.347 21 V HA 0.120 4.240 4.120 -0.000 0.000 0.280 21 V C 0.247 176.263 176.094 -0.131 0.000 1.021 21 V CA -1.163 61.106 62.300 -0.053 0.000 0.847 21 V CB 0.877 32.664 31.823 -0.059 0.000 0.990 21 V HN 0.548 nan 8.190 nan 0.000 0.444 22 K N 3.557 123.890 120.400 -0.113 0.000 2.559 22 K HA -0.043 4.277 4.320 -0.000 0.000 0.279 22 K C -0.280 176.102 176.600 -0.364 0.000 0.967 22 K CA -0.064 56.130 56.287 -0.155 0.000 1.000 22 K CB 0.709 33.172 32.500 -0.063 0.000 0.890 22 K HN 0.635 nan 8.250 nan 0.000 0.501 23 Q N 1.823 121.424 119.800 -0.332 0.000 2.222 23 Q HA 0.283 4.623 4.340 -0.000 0.000 0.252 23 Q C -1.264 174.549 176.000 -0.311 0.000 0.926 23 Q CA -0.389 55.125 55.803 -0.482 0.000 0.899 23 Q CB 0.812 29.402 28.738 -0.245 0.000 1.250 23 Q HN 0.585 nan 8.270 nan 0.000 0.441 24 W N 3.983 125.288 121.300 0.009 0.000 2.438 24 W HA 0.413 5.073 4.660 -0.000 0.000 0.324 24 W C -2.166 174.376 176.519 0.038 0.000 1.119 24 W CA -2.430 54.931 57.345 0.027 0.000 1.221 24 W CB 0.093 29.580 29.460 0.046 0.000 1.253 24 W HN 0.573 nan 8.180 nan 0.000 0.555 25 P HA 0.194 nan 4.420 nan 0.000 0.270 25 P C -0.285 177.118 177.300 0.173 0.000 1.223 25 P CA 0.257 63.448 63.100 0.152 0.000 0.785 25 P CB 0.735 32.500 31.700 0.108 0.000 0.923 26 L N -0.752 120.543 121.223 0.120 0.000 2.322 26 L HA 0.551 4.891 4.340 -0.000 0.000 0.252 26 L C 0.377 177.281 176.870 0.056 0.000 1.055 26 L CA -1.071 53.836 54.840 0.112 0.000 0.849 26 L CB 1.635 43.769 42.059 0.125 0.000 1.446 26 L HN 0.282 nan 8.230 nan 0.000 0.416 27 T N -3.734 110.842 114.554 0.037 0.000 2.913 27 T HA 0.099 4.449 4.350 -0.000 0.000 0.297 27 T C 0.775 175.458 174.700 -0.029 0.000 1.029 27 T CA -0.346 61.758 62.100 0.008 0.000 1.104 27 T CB 1.482 70.357 68.868 0.012 0.000 0.964 27 T HN 0.773 nan 8.240 nan 0.000 0.532 28 E N 0.627 120.812 120.200 -0.025 0.000 2.130 28 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 28 E C 1.886 178.438 176.600 -0.081 0.000 0.998 28 E CA 1.589 57.965 56.400 -0.040 0.000 0.806 28 E CB 0.003 29.688 29.700 -0.025 0.000 0.738 28 E HN 0.915 nan 8.360 nan 0.000 0.459 29 E N 0.543 120.691 120.200 -0.088 0.000 2.017 29 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 29 E C 1.949 178.348 176.600 -0.335 0.000 0.997 29 E CA 1.440 57.748 56.400 -0.153 0.000 0.804 29 E CB 0.086 29.740 29.700 -0.076 0.000 0.757 29 E HN 0.144 nan 8.360 nan 0.000 0.448 30 K N 0.264 120.469 120.400 -0.325 0.000 2.009 30 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 30 K C 2.337 178.760 176.600 -0.294 0.000 1.049 30 K CA 1.762 57.784 56.287 -0.443 0.000 0.929 30 K CB -0.315 32.082 32.500 -0.172 0.000 0.714 30 K HN 0.243 nan 8.250 nan 0.000 0.440 31 I N 1.299 121.781 120.570 -0.146 0.000 2.058 31 I HA -0.292 3.878 4.170 -0.000 0.000 0.235 31 I C 2.383 178.438 176.117 -0.104 0.000 1.053 31 I CA 1.183 62.435 61.300 -0.081 0.000 1.313 31 I CB -0.380 37.597 38.000 -0.039 0.000 1.039 31 I HN 0.024 nan 8.210 nan 0.000 0.396 32 K N 1.407 121.741 120.400 -0.110 0.000 2.362 32 K HA -0.165 4.155 4.320 -0.000 0.000 0.202 32 K C 1.723 178.241 176.600 -0.137 0.000 1.045 32 K CA 1.499 57.728 56.287 -0.097 0.000 0.936 32 K CB -0.378 32.072 32.500 -0.084 0.000 0.747 32 K HN 0.433 nan 8.250 nan 0.000 0.467 33 A N -0.020 122.653 122.820 -0.245 0.000 1.843 33 A HA 0.007 4.327 4.320 -0.000 0.000 0.213 33 A C 2.110 179.590 177.584 -0.174 0.000 1.202 33 A CA 1.043 52.877 52.037 -0.339 0.000 0.607 33 A CB -0.649 17.855 19.000 -0.827 0.000 0.847 33 A HN 0.252 nan 8.150 nan 0.000 0.445 34 L N 0.031 121.173 121.223 -0.136 0.000 2.043 34 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 34 L C 2.522 179.400 176.870 0.013 0.000 1.075 34 L CA 1.400 56.233 54.840 -0.013 0.000 0.752 34 L CB -0.531 41.552 42.059 0.040 0.000 0.891 34 L HN 0.264 nan 8.230 nan 0.000 0.432 35 V N -0.632 119.283 119.914 0.002 0.000 2.392 35 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 35 V C 2.351 178.453 176.094 0.013 0.000 1.059 35 V CA 1.847 64.165 62.300 0.030 0.000 1.051 35 V CB -0.607 31.223 31.823 0.012 0.000 0.658 35 V HN 0.474 nan 8.190 nan 0.000 0.455 36 E N 0.430 120.623 120.200 -0.013 0.000 2.013 36 E HA -0.243 4.107 4.350 -0.000 0.000 0.202 36 E C 2.159 178.753 176.600 -0.009 0.000 1.018 36 E CA 2.190 58.585 56.400 -0.009 0.000 0.834 36 E CB -0.325 29.370 29.700 -0.009 0.000 0.770 36 E HN 0.725 nan 8.360 nan 0.000 0.459 37 I N -0.213 120.354 120.570 -0.005 0.000 2.179 37 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 37 I C 2.596 178.673 176.117 -0.067 0.000 1.088 37 I CA 0.867 62.156 61.300 -0.019 0.000 1.357 37 I CB -0.817 37.193 38.000 0.017 0.000 1.051 37 I HN 0.154 nan 8.210 nan 0.000 0.409 38 C N 1.375 120.638 119.300 -0.062 0.000 2.419 38 C HA -0.113 4.347 4.460 -0.000 0.000 0.281 38 C C 3.061 177.913 174.990 -0.231 0.000 1.336 38 C CA 1.824 60.733 59.018 -0.181 0.000 1.770 38 C CB -1.324 26.361 27.740 -0.092 0.000 1.929 38 C HN 0.596 nan 8.230 nan 0.000 0.509 39 T N -0.204 114.311 114.554 -0.064 0.000 2.809 39 T HA -0.128 4.222 4.350 -0.000 0.000 0.260 39 T C 1.718 176.387 174.700 -0.052 0.000 1.039 39 T CA 1.535 63.630 62.100 -0.008 0.000 1.141 39 T CB -0.284 68.597 68.868 0.022 0.000 0.869 39 T HN 0.513 nan 8.240 nan 0.000 0.437 40 E N 1.509 121.672 120.200 -0.062 0.000 2.070 40 E HA -0.122 4.228 4.350 -0.000 0.000 0.197 40 E C 2.078 178.616 176.600 -0.103 0.000 1.004 40 E CA 1.564 57.924 56.400 -0.067 0.000 0.805 40 E CB -0.418 29.245 29.700 -0.061 0.000 0.744 40 E HN 0.460 nan 8.360 nan 0.000 0.451 41 M N -0.048 119.455 119.600 -0.162 0.000 2.159 41 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 41 M C 2.358 178.555 176.300 -0.171 0.000 1.063 41 M CA 1.654 56.827 55.300 -0.212 0.000 1.110 41 M CB -0.277 32.145 32.600 -0.296 0.000 1.374 41 M HN 0.193 nan 8.290 nan 0.000 0.411 42 E N 0.615 120.713 120.200 -0.169 0.000 2.153 42 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 42 E C 1.895 178.479 176.600 -0.027 0.000 0.988 42 E CA 1.169 57.523 56.400 -0.077 0.000 0.811 42 E CB 0.128 29.849 29.700 0.036 0.000 0.746 42 E HN 0.402 nan 8.360 nan 0.000 0.466 43 K N 0.387 120.767 120.400 -0.033 0.000 2.116 43 K HA -0.069 4.251 4.320 -0.000 0.000 0.203 43 K C 1.418 178.005 176.600 -0.022 0.000 1.052 43 K CA 0.931 57.208 56.287 -0.018 0.000 0.952 43 K CB 0.203 32.693 32.500 -0.017 0.000 0.729 43 K HN 0.071 nan 8.250 nan 0.000 0.446 44 E N -0.571 119.604 120.200 -0.041 0.000 2.512 44 E HA 0.007 4.357 4.350 -0.000 0.000 0.195 44 E C 0.686 177.277 176.600 -0.015 0.000 1.083 44 E CA 0.358 56.739 56.400 -0.033 0.000 0.873 44 E CB 0.238 29.902 29.700 -0.060 0.000 0.897 44 E HN 0.564 nan 8.360 nan 0.000 0.514 45 G N 1.966 110.760 108.800 -0.011 0.000 2.189 45 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.267 45 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.267 45 G C 1.142 176.058 174.900 0.026 0.000 0.975 45 G CA 0.761 45.869 45.100 0.013 0.000 0.644 45 G HN 0.152 nan 8.290 nan 0.000 0.537 46 K N 0.070 120.468 120.400 -0.003 0.000 2.147 46 K HA 0.078 4.398 4.320 -0.000 0.000 0.205 46 K C 1.648 178.257 176.600 0.014 0.000 1.049 46 K CA 1.783 58.091 56.287 0.035 0.000 0.936 46 K CB -0.271 32.182 32.500 -0.078 0.000 0.722 46 K HN 0.966 nan 8.250 nan 0.000 0.446 47 I N -4.397 116.128 120.570 -0.076 0.000 3.191 47 I HA 0.437 4.607 4.170 -0.000 0.000 0.313 47 I C -0.752 175.367 176.117 0.003 0.000 1.193 47 I CA -0.944 60.299 61.300 -0.095 0.000 0.968 47 I CB 2.484 40.306 38.000 -0.298 0.000 1.262 47 I HN -0.335 nan 8.210 nan 0.000 0.456 48 S N 0.696 116.447 115.700 0.086 0.000 2.661 48 S HA 0.473 4.943 4.470 -0.000 0.000 0.285 48 S C -1.108 173.606 174.600 0.190 0.000 1.138 48 S CA -0.814 57.460 58.200 0.124 0.000 0.855 48 S CB 2.118 65.356 63.200 0.063 0.000 1.136 48 S HN 0.637 nan 8.310 nan 0.000 0.484 49 K N 1.798 122.240 120.400 0.071 0.000 2.227 49 K HA 0.514 4.834 4.320 -0.000 0.000 0.280 49 K C -0.841 175.702 176.600 -0.096 0.000 1.041 49 K CA -0.291 55.926 56.287 -0.116 0.000 0.905 49 K CB 0.324 32.699 32.500 -0.209 0.000 1.068 49 K HN 0.491 nan 8.250 nan 0.000 0.470 50 I N 2.339 122.834 120.570 -0.125 0.000 2.797 50 I HA 0.283 4.453 4.170 -0.000 0.000 0.310 50 I C 1.134 177.191 176.117 -0.100 0.000 0.990 50 I CA -0.815 60.435 61.300 -0.084 0.000 1.228 50 I CB 1.544 39.508 38.000 -0.061 0.000 1.406 50 I HN 0.745 nan 8.210 nan 0.000 0.534 51 G N 1.905 110.664 108.800 -0.069 0.000 2.563 51 G HA2 0.293 4.253 3.960 -0.000 0.000 0.283 51 G HA3 0.293 4.253 3.960 -0.000 0.000 0.283 51 G C -1.672 173.186 174.900 -0.070 0.000 1.309 51 G CA -0.685 44.374 45.100 -0.068 0.000 1.022 51 G HN 0.488 nan 8.290 nan 0.000 0.501 52 P HA -0.023 nan 4.420 nan 0.000 0.227 52 P C 1.310 178.574 177.300 -0.059 0.000 1.161 52 P CA 0.818 63.878 63.100 -0.066 0.000 0.788 52 P CB 0.278 31.941 31.700 -0.062 0.000 0.822 53 E N 0.302 120.472 120.200 -0.049 0.000 2.265 53 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 53 E C 0.686 177.255 176.600 -0.053 0.000 0.996 53 E CA 0.434 56.806 56.400 -0.046 0.000 0.832 53 E CB -1.115 28.566 29.700 -0.031 0.000 0.756 53 E HN 0.147 nan 8.360 nan 0.000 0.491 54 N N 3.024 121.701 118.700 -0.038 0.000 2.427 54 N HA -0.004 4.736 4.740 -0.000 0.000 0.269 54 N C -1.464 173.992 175.510 -0.089 0.000 1.235 54 N CA -0.981 52.062 53.050 -0.012 0.000 0.934 54 N CB 1.203 39.711 38.487 0.034 0.000 1.121 54 N HN 0.047 nan 8.380 nan 0.000 0.480 55 P HA 0.006 nan 4.420 nan 0.000 0.245 55 P C -0.402 176.684 177.300 -0.356 0.000 1.203 55 P CA 0.365 63.257 63.100 -0.346 0.000 0.792 55 P CB 0.164 31.574 31.700 -0.484 0.000 0.997 56 Y N 1.053 121.371 120.300 0.030 0.000 2.301 56 Y HA 0.426 4.976 4.550 -0.000 0.000 0.328 56 Y C 0.946 176.863 175.900 0.029 0.000 1.242 56 Y CA -0.126 58.004 58.100 0.049 0.000 1.323 56 Y CB 0.343 38.874 38.460 0.118 0.000 1.266 56 Y HN -0.080 nan 8.280 nan 0.000 0.527 57 N N -0.423 118.377 118.700 0.167 0.000 2.446 57 N HA 0.413 5.153 4.740 -0.000 0.000 0.272 57 N C -1.747 173.790 175.510 0.045 0.000 1.127 57 N CA -0.614 52.490 53.050 0.090 0.000 0.896 57 N CB 1.518 40.005 38.487 0.001 0.000 1.658 57 N HN 0.686 nan 8.380 nan 0.000 0.483 58 T N 0.344 114.906 114.554 0.014 0.000 2.876 58 T HA 0.643 4.992 4.350 -0.000 0.000 0.289 58 T C -2.930 171.607 174.700 -0.272 0.000 1.014 58 T CA -1.948 60.081 62.100 -0.118 0.000 0.986 58 T CB 1.899 70.692 68.868 -0.125 0.000 1.021 58 T HN 0.147 nan 8.240 nan 0.000 0.458 59 P HA 0.311 nan 4.420 nan 0.000 0.267 59 P C -1.000 175.906 177.300 -0.657 0.000 1.200 59 P CA -0.390 62.246 63.100 -0.774 0.000 0.772 59 P CB 0.666 31.657 31.700 -1.182 0.000 0.855 60 V N 5.469 125.050 119.914 -0.555 0.000 2.610 60 V HA 0.492 4.612 4.120 -0.000 0.000 0.288 60 V C -0.974 175.109 176.094 -0.018 0.000 1.055 60 V CA -0.491 61.619 62.300 -0.318 0.000 0.902 60 V CB -0.208 31.526 31.823 -0.149 0.000 1.030 60 V HN 0.472 nan 8.190 nan 0.000 0.448 61 F N 4.760 124.788 119.950 0.130 0.000 2.629 61 F HA 1.039 5.566 4.527 -0.000 0.000 0.386 61 F C 0.143 176.042 175.800 0.165 0.000 1.135 61 F CA -0.758 57.365 58.000 0.205 0.000 1.116 61 F CB 1.569 40.773 39.000 0.339 0.000 1.426 61 F HN 0.628 nan 8.300 nan 0.000 0.501 62 A N 0.708 123.774 122.820 0.411 0.000 2.469 62 A HA 0.816 5.136 4.320 -0.000 0.000 0.299 62 A C -1.825 175.944 177.584 0.309 0.000 1.098 62 A CA -0.742 51.489 52.037 0.323 0.000 0.737 62 A CB 1.966 21.128 19.000 0.271 0.000 1.312 62 A HN 0.753 nan 8.150 nan 0.000 0.414 63 I N -0.057 120.719 120.570 0.344 0.000 2.913 63 I HA 0.494 4.664 4.170 -0.000 0.000 0.302 63 I C -1.047 174.994 176.117 -0.127 0.000 1.246 63 I CA -0.613 60.747 61.300 0.100 0.000 1.010 63 I CB 2.331 40.280 38.000 -0.086 0.000 1.259 63 I HN 0.762 nan 8.210 nan 0.000 0.434 64 K N 4.182 124.218 120.400 -0.607 0.000 2.182 64 K HA 0.588 4.908 4.320 -0.000 0.000 0.262 64 K C -0.862 175.489 176.600 -0.415 0.000 0.957 64 K CA -0.950 54.851 56.287 -0.810 0.000 0.842 64 K CB 1.698 33.326 32.500 -1.453 0.000 1.099 64 K HN 0.309 nan 8.250 nan 0.000 0.438 65 K N 3.145 123.369 120.400 -0.292 0.000 2.292 65 K HA 0.061 4.381 4.320 -0.000 0.000 0.290 65 K C 0.496 176.990 176.600 -0.177 0.000 1.083 65 K CA -0.196 55.984 56.287 -0.177 0.000 0.918 65 K CB 0.570 33.005 32.500 -0.107 0.000 1.089 65 K HN 0.491 nan 8.250 nan 0.000 0.473 66 K N 2.090 122.395 120.400 -0.158 0.000 2.259 66 K HA -0.267 4.053 4.320 -0.000 0.000 0.206 66 K C 0.849 177.389 176.600 -0.100 0.000 1.044 66 K CA 1.825 58.034 56.287 -0.131 0.000 0.931 66 K CB -0.278 32.162 32.500 -0.101 0.000 0.726 66 K HN 0.807 nan 8.250 nan 0.000 0.467 67 D N 0.268 120.618 120.400 -0.084 0.000 1.971 67 D HA -0.079 4.561 4.640 -0.000 0.000 0.253 67 D C 1.499 177.764 176.300 -0.058 0.000 1.019 67 D CA 2.093 56.057 54.000 -0.059 0.000 0.947 67 D CB -0.139 40.635 40.800 -0.045 0.000 1.256 67 D HN 0.003 nan 8.370 nan 0.000 0.493 68 S N -1.497 114.173 115.700 -0.051 0.000 2.442 68 S HA -0.088 4.382 4.470 -0.000 0.000 0.236 68 S C 0.606 175.171 174.600 -0.057 0.000 1.007 68 S CA 1.425 59.601 58.200 -0.039 0.000 0.965 68 S CB -0.340 62.846 63.200 -0.023 0.000 0.773 68 S HN 0.535 nan 8.310 nan 0.000 0.504 69 T N 1.099 115.589 114.554 -0.107 0.000 4.743 69 T HA -0.167 4.183 4.350 -0.000 0.000 0.303 69 T C 0.018 174.591 174.700 -0.211 0.000 1.251 69 T CA 1.215 63.213 62.100 -0.171 0.000 2.422 69 T CB -1.679 67.126 68.868 -0.105 0.000 1.789 69 T HN 0.799 nan 8.240 nan 0.000 0.988 70 K N -0.646 119.656 120.400 -0.163 0.000 2.155 70 K HA 0.615 4.935 4.320 -0.000 0.000 0.237 70 K C -0.260 176.217 176.600 -0.204 0.000 1.040 70 K CA -0.883 55.364 56.287 -0.066 0.000 0.912 70 K CB 0.980 33.489 32.500 0.016 0.000 1.137 70 K HN 0.226 nan 8.250 nan 0.000 0.498 71 W N -0.548 120.759 121.300 0.012 0.000 2.799 71 W HA 0.497 5.157 4.660 -0.000 0.000 0.349 71 W C -0.270 176.264 176.519 0.025 0.000 1.100 71 W CA -0.785 56.570 57.345 0.016 0.000 1.174 71 W CB 1.863 31.336 29.460 0.021 0.000 1.427 71 W HN 0.357 nan 8.180 nan 0.000 0.547 72 R N 1.384 122.075 120.500 0.318 0.000 2.698 72 R HA 0.301 4.641 4.340 -0.000 0.000 0.275 72 R C -0.994 175.442 176.300 0.227 0.000 1.001 72 R CA -1.313 54.913 56.100 0.211 0.000 0.896 72 R CB 2.509 32.892 30.300 0.137 0.000 1.218 72 R HN 0.348 nan 8.270 nan 0.000 0.462 73 K N 3.227 123.739 120.400 0.188 0.000 2.250 73 K HA 0.182 4.502 4.320 -0.000 0.000 0.280 73 K C -0.930 175.786 176.600 0.194 0.000 1.098 73 K CA -0.414 55.982 56.287 0.182 0.000 0.916 73 K CB 0.422 32.994 32.500 0.121 0.000 1.209 73 K HN 0.295 nan 8.250 nan 0.000 0.461 74 L N 5.377 126.759 121.223 0.265 0.000 2.275 74 L HA 0.298 4.638 4.340 -0.000 0.000 0.288 74 L C -1.050 175.950 176.870 0.216 0.000 1.046 74 L CA -0.435 54.583 54.840 0.296 0.000 0.805 74 L CB 1.656 43.961 42.059 0.409 0.000 1.193 74 L HN 0.299 nan 8.230 nan 0.000 0.426 75 V N 3.259 123.170 119.914 -0.006 0.000 2.459 75 V HA 0.305 4.425 4.120 -0.000 0.000 0.295 75 V C -0.464 175.404 176.094 -0.377 0.000 1.029 75 V CA -0.812 61.266 62.300 -0.370 0.000 0.874 75 V CB 1.581 32.971 31.823 -0.721 0.000 0.985 75 V HN 0.647 nan 8.190 nan 0.000 0.438 76 D N 3.278 123.400 120.400 -0.464 0.000 2.517 76 D HA 0.238 4.878 4.640 -0.000 0.000 0.220 76 D C 0.360 176.511 176.300 -0.248 0.000 1.158 76 D CA -0.311 53.538 54.000 -0.251 0.000 0.992 76 D CB 0.124 40.798 40.800 -0.210 0.000 1.058 76 D HN 0.382 nan 8.370 nan 0.000 0.516 77 F N 1.741 121.679 119.950 -0.020 0.000 2.795 77 F HA 0.176 4.703 4.527 -0.000 0.000 0.303 77 F C 2.252 178.077 175.800 0.042 0.000 1.186 77 F CA -0.059 57.948 58.000 0.012 0.000 1.415 77 F CB -0.220 38.805 39.000 0.042 0.000 1.106 77 F HN 0.322 nan 8.300 nan 0.000 0.558 78 R N 0.551 121.141 120.500 0.151 0.000 2.162 78 R HA -0.245 4.095 4.340 -0.000 0.000 0.245 78 R C 2.174 178.545 176.300 0.119 0.000 1.129 78 R CA 2.111 58.281 56.100 0.116 0.000 0.940 78 R CB -0.185 30.166 30.300 0.084 0.000 0.875 78 R HN 0.158 nan 8.270 nan 0.000 0.437 79 E N 0.531 120.796 120.200 0.108 0.000 2.110 79 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 79 E C 2.028 178.702 176.600 0.124 0.000 0.988 79 E CA 0.757 57.216 56.400 0.097 0.000 0.804 79 E CB -0.225 29.519 29.700 0.072 0.000 0.745 79 E HN 0.416 nan 8.360 nan 0.000 0.458 80 L N 1.297 122.637 121.223 0.195 0.000 1.994 80 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 80 L C 1.817 178.830 176.870 0.239 0.000 1.071 80 L CA 1.292 56.267 54.840 0.225 0.000 0.745 80 L CB -0.297 41.972 42.059 0.351 0.000 0.892 80 L HN 0.107 nan 8.230 nan 0.000 0.431 81 N N 0.376 119.218 118.700 0.235 0.000 2.192 81 N HA -0.230 4.510 4.740 -0.000 0.000 0.188 81 N C 1.605 177.166 175.510 0.084 0.000 1.013 81 N CA 1.239 54.366 53.050 0.128 0.000 0.863 81 N CB -0.238 38.287 38.487 0.062 0.000 0.990 81 N HN 0.366 nan 8.380 nan 0.000 0.430 82 K N 0.298 120.749 120.400 0.084 0.000 2.362 82 K HA 0.043 4.363 4.320 -0.000 0.000 0.200 82 K C 1.205 177.837 176.600 0.053 0.000 1.046 82 K CA 0.726 57.046 56.287 0.055 0.000 0.952 82 K CB 0.160 32.691 32.500 0.051 0.000 0.753 82 K HN 0.176 nan 8.250 nan 0.000 0.466 83 R N -0.545 119.999 120.500 0.074 0.000 2.476 83 R HA 0.105 4.445 4.340 -0.000 0.000 0.276 83 R C -0.177 176.183 176.300 0.101 0.000 0.941 83 R CA -0.019 56.112 56.100 0.051 0.000 1.088 83 R CB 1.087 31.385 30.300 -0.002 0.000 1.216 83 R HN -0.112 nan 8.270 nan 0.000 0.533 84 T N 2.981 117.644 114.554 0.181 0.000 2.794 84 T HA 0.067 4.417 4.350 -0.000 0.000 0.296 84 T C -0.021 174.740 174.700 0.102 0.000 0.949 84 T CA -0.472 61.791 62.100 0.271 0.000 1.101 84 T CB 1.065 70.169 68.868 0.393 0.000 0.905 84 T HN 0.236 nan 8.240 nan 0.000 0.516 85 Q N 2.362 122.170 119.800 0.013 0.000 2.427 85 Q HA 0.031 4.371 4.340 -0.000 0.000 0.310 85 Q C -0.739 175.136 176.000 -0.208 0.000 1.167 85 Q CA -0.032 55.687 55.803 -0.140 0.000 0.991 85 Q CB -0.054 28.523 28.738 -0.269 0.000 1.287 85 Q HN 0.550 nan 8.270 nan 0.000 0.443 86 D N 0.654 120.949 120.400 -0.175 0.000 2.264 86 D HA 0.398 5.038 4.640 -0.000 0.000 0.249 86 D C -0.922 175.246 176.300 -0.219 0.000 1.070 86 D CA -0.325 53.625 54.000 -0.083 0.000 0.912 86 D CB 0.398 41.178 40.800 -0.034 0.000 1.193 86 D HN 0.413 nan 8.370 nan 0.000 0.427 87 F N -0.057 119.826 119.950 -0.112 0.000 2.483 87 F HA 0.320 4.847 4.527 -0.000 0.000 0.329 87 F C 0.204 175.982 175.800 -0.037 0.000 1.064 87 F CA -1.321 56.637 58.000 -0.071 0.000 0.986 87 F CB 1.332 40.249 39.000 -0.138 0.000 1.218 87 F HN 0.319 nan 8.300 nan 0.000 0.484 88 W N 4.316 125.671 121.300 0.091 0.000 2.367 88 W HA 0.236 4.896 4.660 -0.000 0.000 0.329 88 W C -0.646 175.905 176.519 0.052 0.000 1.066 88 W CA -0.735 56.634 57.345 0.041 0.000 1.435 88 W CB 0.433 29.899 29.460 0.009 0.000 1.296 88 W HN 0.533 nan 8.180 nan 0.000 0.401 89 E N 3.388 123.308 120.200 -0.467 0.000 2.465 89 E HA -0.052 4.298 4.350 -0.000 0.000 0.260 89 E C 0.897 177.360 176.600 -0.228 0.000 0.980 89 E CA 0.185 56.407 56.400 -0.297 0.000 0.927 89 E CB 1.803 31.314 29.700 -0.316 0.000 0.934 89 E HN 0.379 nan 8.360 nan 0.000 0.459 90 V N 1.999 121.904 119.914 -0.015 0.000 2.825 90 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 90 V C 1.063 177.182 176.094 0.041 0.000 1.068 90 V CA 0.428 62.782 62.300 0.091 0.000 1.088 90 V CB -0.192 31.691 31.823 0.100 0.000 0.733 90 V HN 0.485 nan 8.190 nan 0.000 0.468 91 Q N 1.205 120.997 119.800 -0.012 0.000 2.244 91 Q HA 0.151 4.491 4.340 -0.000 0.000 0.278 91 Q C -0.615 175.397 176.000 0.019 0.000 1.093 91 Q CA 0.550 56.359 55.803 0.010 0.000 0.916 91 Q CB 0.696 29.418 28.738 -0.026 0.000 1.159 91 Q HN 0.387 nan 8.270 nan 0.000 0.384 92 L N 4.235 125.489 121.223 0.053 0.000 2.732 92 L HA 0.648 4.988 4.340 -0.000 0.000 0.246 92 L C -0.495 176.403 176.870 0.046 0.000 1.407 92 L CA 0.789 55.655 54.840 0.043 0.000 0.861 92 L CB 0.536 42.634 42.059 0.065 0.000 1.161 92 L HN 0.681 nan 8.230 nan 0.000 0.510 93 G N 2.131 110.965 108.800 0.055 0.000 2.906 93 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.686 93 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.686 93 G C -0.733 174.189 174.900 0.037 0.000 1.170 93 G CA -0.482 44.642 45.100 0.040 0.000 0.775 93 G HN 0.863 nan 8.290 nan 0.000 0.630 94 I N 1.273 121.834 120.570 -0.016 0.000 2.474 94 I HA 0.708 4.878 4.170 -0.000 0.000 0.287 94 I C -1.039 174.988 176.117 -0.151 0.000 1.048 94 I CA -1.982 59.216 61.300 -0.169 0.000 1.383 94 I CB 0.704 38.540 38.000 -0.272 0.000 1.412 94 I HN 0.491 nan 8.210 nan 0.000 0.531 95 P HA 0.108 nan 4.420 nan 0.000 0.272 95 P C -1.133 176.083 177.300 -0.140 0.000 1.223 95 P CA 0.145 63.235 63.100 -0.018 0.000 0.784 95 P CB 0.618 32.482 31.700 0.273 0.000 0.923 96 H N 2.492 121.437 119.070 -0.208 0.000 2.572 96 H HA 0.226 4.782 4.556 -0.000 0.000 0.359 96 H C -1.861 173.191 175.328 -0.460 0.000 1.134 96 H CA -2.136 53.687 56.048 -0.376 0.000 1.187 96 H CB 2.490 32.051 29.762 -0.334 0.000 1.597 96 H HN 0.167 nan 8.280 nan 0.000 0.524 97 P HA -0.144 nan 4.420 nan 0.000 0.218 97 P C 1.100 178.145 177.300 -0.425 0.000 1.148 97 P CA 1.537 64.126 63.100 -0.851 0.000 0.822 97 P CB 0.095 30.832 31.700 -1.606 0.000 0.784 98 A N 0.722 123.618 122.820 0.127 0.000 1.948 98 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 98 A C 2.503 180.257 177.584 0.282 0.000 1.177 98 A CA 2.018 54.273 52.037 0.362 0.000 0.636 98 A CB -1.868 17.293 19.000 0.269 0.000 0.815 98 A HN 0.351 nan 8.150 nan 0.000 0.449 99 G N -1.128 107.607 108.800 -0.108 0.000 2.920 99 G HA2 0.336 4.296 3.960 -0.000 0.000 0.208 99 G HA3 0.336 4.296 3.960 -0.000 0.000 0.208 99 G C 0.467 175.297 174.900 -0.117 0.000 1.159 99 G CA -0.231 44.754 45.100 -0.191 0.000 0.784 99 G HN 0.408 nan 8.290 nan 0.000 0.535 100 L N 0.426 121.483 121.223 -0.276 0.000 2.375 100 L HA 0.383 4.723 4.340 -0.000 0.000 0.271 100 L C 0.186 176.976 176.870 -0.135 0.000 1.107 100 L CA -0.476 54.096 54.840 -0.447 0.000 0.806 100 L CB 1.313 42.799 42.059 -0.956 0.000 1.146 100 L HN -0.024 nan 8.230 nan 0.000 0.447 101 K N 1.999 122.381 120.400 -0.029 0.000 2.118 101 K HA 0.361 4.681 4.320 -0.000 0.000 0.254 101 K C -0.724 175.963 176.600 0.145 0.000 0.961 101 K CA -0.956 55.419 56.287 0.146 0.000 0.876 101 K CB 1.357 33.967 32.500 0.184 0.000 1.077 101 K HN 0.360 nan 8.250 nan 0.000 0.440 102 K N 2.779 123.346 120.400 0.277 0.000 2.351 102 K HA 0.047 4.366 4.320 -0.000 0.000 0.287 102 K C -0.223 176.496 176.600 0.198 0.000 1.068 102 K CA 0.234 56.726 56.287 0.341 0.000 0.998 102 K CB 0.231 32.889 32.500 0.263 0.000 0.968 102 K HN 0.142 nan 8.250 nan 0.000 0.464 103 K N 2.810 123.324 120.400 0.191 0.000 2.156 103 K HA 0.212 4.532 4.320 -0.000 0.000 0.254 103 K C 0.867 177.519 176.600 0.088 0.000 0.950 103 K CA -0.720 55.644 56.287 0.128 0.000 0.849 103 K CB 1.559 34.137 32.500 0.131 0.000 1.100 103 K HN 0.221 nan 8.250 nan 0.000 0.434 104 K N 0.998 121.425 120.400 0.045 0.000 1.965 104 K HA -0.022 4.298 4.320 -0.000 0.000 0.218 104 K C 0.409 176.977 176.600 -0.053 0.000 1.048 104 K CA 1.371 57.659 56.287 0.002 0.000 0.960 104 K CB -0.215 32.280 32.500 -0.007 0.000 0.732 104 K HN 0.497 nan 8.250 nan 0.000 0.444 105 S N 0.424 116.023 115.700 -0.168 0.000 2.509 105 S HA 0.468 4.938 4.470 -0.000 0.000 0.297 105 S C -0.393 174.001 174.600 -0.343 0.000 1.118 105 S CA -0.872 57.090 58.200 -0.397 0.000 1.074 105 S CB 2.333 64.989 63.200 -0.908 0.000 1.038 105 S HN -0.015 nan 8.310 nan 0.000 0.498 106 V N 2.252 122.106 119.914 -0.100 0.000 2.925 106 V HA 0.716 4.836 4.120 -0.000 0.000 0.311 106 V C -0.397 175.717 176.094 0.033 0.000 1.104 106 V CA -0.608 61.721 62.300 0.049 0.000 0.954 106 V CB 2.468 34.438 31.823 0.244 0.000 1.022 106 V HN 0.979 nan 8.190 nan 0.000 0.427 107 T N 2.185 116.600 114.554 -0.232 0.000 2.903 107 T HA 0.733 5.083 4.350 -0.000 0.000 0.299 107 T C -1.182 173.192 174.700 -0.544 0.000 1.093 107 T CA -0.599 61.279 62.100 -0.370 0.000 1.002 107 T CB 2.187 70.980 68.868 -0.125 0.000 1.127 107 T HN 0.390 nan 8.240 nan 0.000 0.488 108 V N 2.676 122.264 119.914 -0.543 0.000 2.638 108 V HA 0.619 4.739 4.120 -0.000 0.000 0.306 108 V C -0.865 175.023 176.094 -0.342 0.000 1.052 108 V CA -0.698 61.338 62.300 -0.441 0.000 0.885 108 V CB 1.679 33.169 31.823 -0.555 0.000 0.999 108 V HN 0.692 nan 8.190 nan 0.000 0.424 109 L N 3.259 124.363 121.223 -0.198 0.000 2.283 109 L HA 0.816 5.156 4.340 -0.000 0.000 0.259 109 L C -1.330 175.492 176.870 -0.081 0.000 1.027 109 L CA -0.813 53.947 54.840 -0.133 0.000 0.828 109 L CB 2.425 44.429 42.059 -0.091 0.000 1.380 109 L HN 0.460 nan 8.230 nan 0.000 0.425 110 D N -0.019 120.351 120.400 -0.051 0.000 2.990 110 D HA 0.436 5.076 4.640 -0.000 0.000 0.227 110 D C -1.085 175.212 176.300 -0.006 0.000 1.249 110 D CA -0.143 53.843 54.000 -0.023 0.000 0.891 110 D CB 2.964 43.750 40.800 -0.024 0.000 1.647 110 D HN 0.013 nan 8.370 nan 0.000 0.530 111 V N 1.144 121.060 119.914 0.005 0.000 2.644 111 V HA 0.744 4.864 4.120 -0.000 0.000 0.295 111 V C 1.093 177.192 176.094 0.010 0.000 1.053 111 V CA -0.526 61.790 62.300 0.027 0.000 0.987 111 V CB 1.696 33.567 31.823 0.081 0.000 1.006 111 V HN 0.599 nan 8.190 nan 0.000 0.472 112 G N 0.951 109.772 108.800 0.035 0.000 2.389 112 G HA2 0.480 4.440 3.960 -0.000 0.000 0.317 112 G HA3 0.480 4.440 3.960 -0.000 0.000 0.317 112 G C -0.198 174.743 174.900 0.068 0.000 1.137 112 G CA -0.289 44.837 45.100 0.042 0.000 0.870 112 G HN 0.858 nan 8.290 nan 0.000 0.496 113 D N 0.091 120.546 120.400 0.092 0.000 2.701 113 D HA -0.267 4.373 4.640 -0.000 0.000 0.235 113 D C 1.687 178.059 176.300 0.120 0.000 1.155 113 D CA 0.899 55.007 54.000 0.181 0.000 0.649 113 D CB -1.122 39.805 40.800 0.213 0.000 1.050 113 D HN 0.665 nan 8.370 nan 0.000 0.425 114 A N -0.028 122.753 122.820 -0.065 0.000 1.862 114 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 114 A C 1.813 179.282 177.584 -0.192 0.000 1.251 114 A CA 1.989 53.853 52.037 -0.289 0.000 0.673 114 A CB -0.946 17.489 19.000 -0.941 0.000 0.843 114 A HN 0.361 nan 8.150 nan 0.000 0.458 115 Y N -1.324 118.787 120.300 -0.316 0.000 2.097 115 Y HA -0.183 4.367 4.550 -0.000 0.000 0.282 115 Y C 2.123 178.007 175.900 -0.028 0.000 1.152 115 Y CA 1.590 59.569 58.100 -0.203 0.000 1.136 115 Y CB -1.037 37.183 38.460 -0.400 0.000 0.975 115 Y HN 0.317 nan 8.280 nan 0.000 0.498 116 F N -0.684 119.402 119.950 0.227 0.000 2.667 116 F HA -0.125 4.402 4.527 -0.000 0.000 0.295 116 F C 1.907 177.808 175.800 0.168 0.000 1.185 116 F CA 0.964 59.078 58.000 0.189 0.000 1.479 116 F CB -0.605 38.484 39.000 0.149 0.000 1.116 116 F HN -0.091 nan 8.300 nan 0.000 0.606 117 S N -1.516 114.382 115.700 0.328 0.000 2.578 117 S HA 0.217 4.687 4.470 -0.000 0.000 0.228 117 S C 0.363 175.108 174.600 0.243 0.000 1.022 117 S CA -0.120 58.238 58.200 0.263 0.000 0.967 117 S CB 0.622 63.963 63.200 0.235 0.000 0.914 117 S HN -0.126 nan 8.310 nan 0.000 0.515 118 V N 4.176 124.256 119.914 0.276 0.000 2.398 118 V HA 0.373 4.493 4.120 -0.000 0.000 0.286 118 V C -2.550 173.662 176.094 0.197 0.000 1.026 118 V CA -2.290 60.143 62.300 0.223 0.000 0.868 118 V CB 1.306 33.274 31.823 0.242 0.000 0.982 118 V HN 0.069 nan 8.190 nan 0.000 0.443 119 P HA 0.073 nan 4.420 nan 0.000 0.267 119 P C -0.818 176.558 177.300 0.127 0.000 1.201 119 P CA -0.133 63.048 63.100 0.136 0.000 0.775 119 P CB 0.466 32.234 31.700 0.113 0.000 0.854 120 L N 2.455 123.745 121.223 0.111 0.000 2.317 120 L HA 0.381 4.721 4.340 -0.000 0.000 0.281 120 L C -0.069 176.852 176.870 0.085 0.000 1.024 120 L CA -0.733 54.155 54.840 0.081 0.000 0.810 120 L CB 0.871 42.954 42.059 0.040 0.000 1.240 120 L HN 0.290 nan 8.230 nan 0.000 0.427 121 D N 3.061 123.509 120.400 0.080 0.000 2.772 121 D HA -0.182 4.458 4.640 -0.000 0.000 0.227 121 D C 0.930 177.288 176.300 0.097 0.000 1.114 121 D CA 0.815 54.866 54.000 0.085 0.000 0.832 121 D CB 0.865 41.708 40.800 0.072 0.000 1.154 121 D HN 0.839 nan 8.370 nan 0.000 0.514 122 E N 3.040 123.281 120.200 0.070 0.000 2.048 122 E HA -0.242 4.108 4.350 -0.000 0.000 0.202 122 E C 0.895 177.517 176.600 0.037 0.000 1.021 122 E CA 1.831 58.260 56.400 0.049 0.000 0.825 122 E CB 0.070 29.792 29.700 0.037 0.000 0.756 122 E HN 0.560 nan 8.360 nan 0.000 0.454 123 D N -1.068 119.360 120.400 0.046 0.000 2.400 123 D HA -0.111 4.529 4.640 -0.000 0.000 0.242 123 D C 0.653 176.975 176.300 0.036 0.000 1.077 123 D CA 0.403 54.417 54.000 0.024 0.000 0.943 123 D CB 0.065 40.893 40.800 0.047 0.000 0.882 123 D HN 0.231 nan 8.370 nan 0.000 0.529 124 F N 0.317 120.182 119.950 -0.141 0.000 2.699 124 F HA 0.170 4.697 4.527 -0.000 0.000 0.295 124 F C 1.997 177.649 175.800 -0.246 0.000 1.052 124 F CA -0.184 57.715 58.000 -0.170 0.000 1.239 124 F CB 0.243 39.218 39.000 -0.041 0.000 1.018 124 F HN -0.330 nan 8.300 nan 0.000 0.627 125 R N 1.567 122.006 120.500 -0.102 0.000 2.159 125 R HA -0.289 4.050 4.340 -0.000 0.000 0.249 125 R C 2.112 178.274 176.300 -0.231 0.000 1.136 125 R CA 2.744 58.768 56.100 -0.127 0.000 0.951 125 R CB -0.713 29.580 30.300 -0.011 0.000 0.876 125 R HN 0.392 nan 8.270 nan 0.000 0.440 126 K N -0.559 119.654 120.400 -0.312 0.000 2.242 126 K HA -0.251 4.068 4.320 -0.000 0.000 0.206 126 K C 1.315 177.735 176.600 -0.301 0.000 1.045 126 K CA 2.052 58.168 56.287 -0.285 0.000 0.930 126 K CB -0.488 31.793 32.500 -0.365 0.000 0.726 126 K HN 0.270 nan 8.250 nan 0.000 0.462 127 Y N 2.054 122.050 120.300 -0.507 0.000 2.519 127 Y HA -0.015 4.535 4.550 -0.000 0.000 0.287 127 Y C 2.354 178.067 175.900 -0.312 0.000 1.128 127 Y CA 0.975 58.705 58.100 -0.617 0.000 1.282 127 Y CB -0.576 37.271 38.460 -1.022 0.000 1.027 127 Y HN 0.346 nan 8.280 nan 0.000 0.551 128 T N -2.040 112.458 114.554 -0.092 0.000 3.194 128 T HA 0.403 4.753 4.350 -0.000 0.000 0.251 128 T C 0.975 175.939 174.700 0.440 0.000 1.132 128 T CA 0.121 62.330 62.100 0.182 0.000 1.028 128 T CB -0.719 68.238 68.868 0.149 0.000 0.976 128 T HN 0.206 nan 8.240 nan 0.000 0.535 129 A N 1.728 124.722 122.820 0.290 0.000 2.555 129 A HA 0.496 4.816 4.320 -0.000 0.000 0.233 129 A C -0.005 177.827 177.584 0.414 0.000 1.060 129 A CA -0.186 52.030 52.037 0.298 0.000 0.759 129 A CB -0.558 18.558 19.000 0.193 0.000 0.995 129 A HN 0.998 nan 8.150 nan 0.000 0.506 130 F N -1.478 118.523 119.950 0.086 0.000 2.703 130 F HA 0.654 5.181 4.527 -0.000 0.000 0.308 130 F C -0.566 175.242 175.800 0.014 0.000 1.126 130 F CA -0.746 57.266 58.000 0.020 0.000 0.959 130 F CB 1.003 40.007 39.000 0.007 0.000 1.297 130 F HN 0.428 nan 8.300 nan 0.000 0.441 131 T N 3.615 118.181 114.554 0.020 0.000 2.855 131 T HA 0.550 4.900 4.350 -0.000 0.000 0.281 131 T C -0.812 173.898 174.700 0.016 0.000 1.007 131 T CA -0.519 61.526 62.100 -0.091 0.000 1.009 131 T CB 1.744 70.563 68.868 -0.081 0.000 0.983 131 T HN 0.813 nan 8.240 nan 0.000 0.455 132 I N 5.037 125.596 120.570 -0.018 0.000 2.460 132 I HA 0.329 4.499 4.170 -0.000 0.000 0.277 132 I C -2.222 173.896 176.117 0.003 0.000 1.057 132 I CA -2.879 58.457 61.300 0.061 0.000 1.179 132 I CB 1.245 39.321 38.000 0.126 0.000 1.329 132 I HN 0.373 nan 8.210 nan 0.000 0.478 133 P HA -0.078 nan 4.420 nan 0.000 0.267 133 P C -0.290 177.003 177.300 -0.011 0.000 1.175 133 P CA 0.323 63.418 63.100 -0.009 0.000 0.763 133 P CB 0.390 32.097 31.700 0.012 0.000 0.795 134 S N 2.298 117.985 115.700 -0.021 0.000 2.601 134 S HA 0.135 4.605 4.470 -0.000 0.000 0.271 134 S C 1.581 176.173 174.600 -0.013 0.000 1.305 134 S CA -0.844 57.342 58.200 -0.024 0.000 1.022 134 S CB 0.585 63.766 63.200 -0.031 0.000 0.940 134 S HN 0.597 nan 8.310 nan 0.000 0.525 135 I N 1.413 121.974 120.570 -0.015 0.000 2.182 135 I HA -0.341 3.829 4.170 -0.000 0.000 0.248 135 I C 0.669 176.783 176.117 -0.004 0.000 1.073 135 I CA 2.372 63.665 61.300 -0.011 0.000 1.335 135 I CB -0.411 37.580 38.000 -0.015 0.000 1.031 135 I HN 0.997 nan 8.210 nan 0.000 0.420 136 N N -1.845 116.851 118.700 -0.007 0.000 3.455 136 N HA 0.070 4.810 4.740 -0.000 0.000 0.358 136 N C 0.282 175.790 175.510 -0.004 0.000 1.580 136 N CA -0.314 52.734 53.050 -0.003 0.000 0.692 136 N CB -0.103 38.381 38.487 -0.004 0.000 1.978 136 N HN -0.076 nan 8.380 nan 0.000 0.651 137 N N -0.513 118.185 118.700 -0.004 0.000 2.571 137 N HA -0.055 4.685 4.740 -0.000 0.000 0.189 137 N C 0.161 175.664 175.510 -0.012 0.000 1.154 137 N CA 0.140 53.186 53.050 -0.006 0.000 0.907 137 N CB -0.004 38.481 38.487 -0.003 0.000 0.977 137 N HN 0.522 nan 8.380 nan 0.000 0.449 138 E N -0.420 119.771 120.200 -0.015 0.000 3.271 138 E HA -0.105 4.245 4.350 -0.000 0.000 0.332 138 E C -0.261 176.323 176.600 -0.026 0.000 1.505 138 E CA 0.178 56.566 56.400 -0.020 0.000 1.676 138 E CB 0.091 29.778 29.700 -0.022 0.000 1.053 138 E HN 0.129 nan 8.360 nan 0.000 0.687 139 T N 1.605 116.140 114.554 -0.032 0.000 2.946 139 T HA 0.050 4.400 4.350 -0.000 0.000 0.312 139 T C -2.139 172.533 174.700 -0.047 0.000 1.066 139 T CA -1.312 60.764 62.100 -0.041 0.000 1.138 139 T CB 0.349 69.189 68.868 -0.046 0.000 1.014 139 T HN 0.243 nan 8.240 nan 0.000 0.544 140 P HA 0.054 nan 4.420 nan 0.000 0.271 140 P C 0.761 178.017 177.300 -0.074 0.000 1.212 140 P CA -0.141 62.922 63.100 -0.061 0.000 0.788 140 P CB -0.019 31.640 31.700 -0.069 0.000 0.865 141 G N 0.460 109.214 108.800 -0.078 0.000 2.466 141 G HA2 0.280 4.240 3.960 -0.000 0.000 0.279 141 G HA3 0.280 4.240 3.960 -0.000 0.000 0.279 141 G C 0.066 174.882 174.900 -0.139 0.000 1.410 141 G CA -0.744 44.303 45.100 -0.089 0.000 1.065 141 G HN 0.491 nan 8.290 nan 0.000 0.547 142 I N 0.583 121.049 120.570 -0.174 0.000 2.353 142 I HA 0.304 4.474 4.170 -0.000 0.000 0.293 142 I C -0.033 175.831 176.117 -0.422 0.000 0.992 142 I CA -0.761 60.354 61.300 -0.308 0.000 1.268 142 I CB 1.374 39.179 38.000 -0.325 0.000 1.387 142 I HN 0.120 nan 8.210 nan 0.000 0.478 143 R N 5.594 125.806 120.500 -0.479 0.000 2.265 143 R HA 0.494 4.834 4.340 -0.000 0.000 0.319 143 R C -1.319 174.605 176.300 -0.628 0.000 1.006 143 R CA -0.622 55.204 56.100 -0.457 0.000 0.880 143 R CB 0.982 31.114 30.300 -0.280 0.000 1.077 143 R HN 0.398 nan 8.270 nan 0.000 0.454 144 Y N 0.215 120.136 120.300 -0.633 0.000 2.545 144 Y HA 0.345 4.895 4.550 -0.000 0.000 0.348 144 Y C 0.303 175.981 175.900 -0.370 0.000 1.002 144 Y CA -0.736 56.991 58.100 -0.623 0.000 1.039 144 Y CB 2.181 40.053 38.460 -0.981 0.000 1.271 144 Y HN 0.421 nan 8.280 nan 0.000 0.467 145 Q N 1.392 121.270 119.800 0.129 0.000 2.423 145 Q HA 0.457 4.797 4.340 -0.000 0.000 0.278 145 Q C -1.935 174.195 176.000 0.216 0.000 1.097 145 Q CA -0.830 55.101 55.803 0.213 0.000 0.809 145 Q CB 1.938 30.739 28.738 0.106 0.000 1.391 145 Q HN 0.737 nan 8.270 nan 0.000 0.428 146 Y N 1.870 122.298 120.300 0.213 0.000 2.301 146 Y HA 0.233 4.783 4.550 -0.000 0.000 0.325 146 Y C 0.861 176.813 175.900 0.087 0.000 1.203 146 Y CA 0.360 58.556 58.100 0.161 0.000 1.255 146 Y CB 1.170 39.694 38.460 0.107 0.000 1.232 146 Y HN 0.720 nan 8.280 nan 0.000 0.501 147 N N 0.584 119.449 118.700 0.275 0.000 2.239 147 N HA 0.097 4.837 4.740 -0.000 0.000 0.208 147 N C -0.853 174.778 175.510 0.201 0.000 1.200 147 N CA 0.433 53.592 53.050 0.182 0.000 0.895 147 N CB 1.087 39.651 38.487 0.128 0.000 1.085 147 N HN 0.334 nan 8.380 nan 0.000 0.500 148 V N -1.214 118.876 119.914 0.295 0.000 3.046 148 V HA 0.506 4.626 4.120 -0.000 0.000 0.316 148 V C 0.526 176.732 176.094 0.188 0.000 1.104 148 V CA -1.138 61.322 62.300 0.267 0.000 1.006 148 V CB 1.749 33.788 31.823 0.358 0.000 1.058 148 V HN -0.110 nan 8.190 nan 0.000 0.440 149 L N 2.617 123.922 121.223 0.136 0.000 2.825 149 L HA 0.127 4.467 4.340 -0.000 0.000 0.278 149 L C -2.134 174.605 176.870 -0.219 0.000 1.125 149 L CA -0.653 54.199 54.840 0.020 0.000 1.023 149 L CB -0.321 41.859 42.059 0.201 0.000 1.377 149 L HN 0.494 nan 8.230 nan 0.000 0.471 150 P HA 0.013 nan 4.420 nan 0.000 0.271 150 P C -0.556 176.378 177.300 -0.610 0.000 1.216 150 P CA -0.218 62.376 63.100 -0.843 0.000 0.771 150 P CB 0.552 31.401 31.700 -1.419 0.000 0.864 151 Q N 2.014 121.495 119.800 -0.532 0.000 2.304 151 Q HA 0.362 4.702 4.340 -0.000 0.000 0.260 151 Q C 0.984 176.858 176.000 -0.209 0.000 0.965 151 Q CA 0.737 56.265 55.803 -0.458 0.000 0.898 151 Q CB -0.206 28.329 28.738 -0.338 0.000 1.196 151 Q HN 0.816 nan 8.270 nan 0.000 0.402 152 G N 3.302 111.963 108.800 -0.230 0.000 2.159 152 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.227 152 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.227 152 G C -0.813 174.075 174.900 -0.019 0.000 0.986 152 G CA -0.016 45.056 45.100 -0.048 0.000 0.651 152 G HN 0.667 nan 8.290 nan 0.000 0.523 153 W N 1.674 122.724 121.300 -0.417 0.000 2.438 153 W HA 0.695 5.355 4.660 -0.000 0.000 0.324 153 W C 1.131 177.445 176.519 -0.342 0.000 1.119 153 W CA -0.820 56.261 57.345 -0.439 0.000 1.221 153 W CB 1.042 30.108 29.460 -0.657 0.000 1.253 153 W HN -0.026 nan 8.180 nan 0.000 0.555 154 K N 2.393 122.222 120.400 -0.952 0.000 2.015 154 K HA -0.186 4.134 4.320 -0.000 0.000 0.216 154 K C 1.818 177.604 176.600 -1.357 0.000 1.052 154 K CA 2.276 58.004 56.287 -0.932 0.000 0.937 154 K CB -0.793 31.330 32.500 -0.628 0.000 0.719 154 K HN 0.816 nan 8.250 nan 0.000 0.446 155 G N 0.087 107.434 108.800 -2.421 0.000 2.471 155 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 155 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 155 G C 1.422 175.543 174.900 -1.298 0.000 1.125 155 G CA 0.878 44.464 45.100 -2.524 0.000 0.775 155 G HN 0.394 nan 8.290 nan 0.000 0.548 156 S N 1.674 116.883 115.700 -0.818 0.000 2.393 156 S HA -0.155 4.315 4.470 -0.000 0.000 0.235 156 S C 0.509 175.030 174.600 -0.131 0.000 1.061 156 S CA 2.196 60.233 58.200 -0.272 0.000 1.129 156 S CB -0.852 62.034 63.200 -0.524 0.000 1.011 156 S HN 0.335 nan 8.310 nan 0.000 0.436 157 P HA -0.050 nan 4.420 nan 0.000 0.210 157 P C 1.606 178.913 177.300 0.012 0.000 1.185 157 P CA 1.864 64.998 63.100 0.055 0.000 0.924 157 P CB -0.390 31.230 31.700 -0.132 0.000 0.786 158 A N -0.968 121.727 122.820 -0.207 0.000 1.940 158 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 158 A C 2.320 179.865 177.584 -0.065 0.000 1.176 158 A CA 1.658 53.599 52.037 -0.160 0.000 0.631 158 A CB -1.741 17.107 19.000 -0.254 0.000 0.814 158 A HN 0.116 nan 8.150 nan 0.000 0.446 159 I N -2.047 118.472 120.570 -0.085 0.000 2.163 159 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 159 I C 2.336 178.506 176.117 0.087 0.000 1.081 159 I CA 1.702 63.026 61.300 0.040 0.000 1.353 159 I CB -0.376 37.681 38.000 0.095 0.000 1.054 159 I HN 0.483 nan 8.210 nan 0.000 0.407 160 F N 1.646 121.625 119.950 0.048 0.000 2.250 160 F HA -0.280 4.247 4.527 -0.000 0.000 0.301 160 F C 2.470 178.222 175.800 -0.080 0.000 1.077 160 F CA 1.570 59.567 58.000 -0.006 0.000 1.348 160 F CB -0.185 38.766 39.000 -0.081 0.000 1.040 160 F HN 0.117 nan 8.300 nan 0.000 0.509 161 Q N -0.589 119.241 119.800 0.051 0.000 2.016 161 Q HA -0.204 4.136 4.340 -0.000 0.000 0.200 161 Q C 2.532 178.436 176.000 -0.162 0.000 0.978 161 Q CA 1.750 57.523 55.803 -0.050 0.000 0.833 161 Q CB -0.554 28.178 28.738 -0.010 0.000 0.895 161 Q HN 0.428 nan 8.270 nan 0.000 0.427 162 S N 0.228 115.866 115.700 -0.102 0.000 2.365 162 S HA -0.207 4.263 4.470 -0.000 0.000 0.225 162 S C 2.033 176.526 174.600 -0.179 0.000 1.039 162 S CA 1.729 59.869 58.200 -0.099 0.000 1.033 162 S CB -0.226 62.953 63.200 -0.036 0.000 0.887 162 S HN 0.350 nan 8.310 nan 0.000 0.447 163 S N 1.417 116.973 115.700 -0.240 0.000 2.359 163 S HA -0.207 4.263 4.470 -0.000 0.000 0.223 163 S C 1.868 176.220 174.600 -0.413 0.000 1.039 163 S CA 1.911 59.924 58.200 -0.311 0.000 1.042 163 S CB -0.597 62.388 63.200 -0.358 0.000 0.915 163 S HN 0.657 nan 8.310 nan 0.000 0.439 164 M N 1.836 121.085 119.600 -0.585 0.000 2.213 164 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 164 M C 1.924 178.054 176.300 -0.283 0.000 1.062 164 M CA 1.569 56.580 55.300 -0.481 0.000 1.105 164 M CB -1.115 31.176 32.600 -0.516 0.000 1.385 164 M HN 0.183 nan 8.290 nan 0.000 0.417 165 T N 0.483 114.898 114.554 -0.231 0.000 2.732 165 T HA -0.090 4.260 4.350 -0.000 0.000 0.261 165 T C 1.770 176.372 174.700 -0.164 0.000 1.040 165 T CA 1.577 63.584 62.100 -0.155 0.000 1.145 165 T CB -0.123 68.679 68.868 -0.109 0.000 0.866 165 T HN 0.423 nan 8.240 nan 0.000 0.427 166 K N 0.560 120.850 120.400 -0.184 0.000 2.152 166 K HA -0.010 4.310 4.320 -0.000 0.000 0.206 166 K C 2.176 178.608 176.600 -0.280 0.000 1.048 166 K CA 1.058 57.230 56.287 -0.192 0.000 0.933 166 K CB -0.270 32.122 32.500 -0.180 0.000 0.721 166 K HN 0.361 nan 8.250 nan 0.000 0.447 167 I N 0.898 121.246 120.570 -0.369 0.000 2.252 167 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 167 I C 2.123 178.096 176.117 -0.240 0.000 1.102 167 I CA 1.149 62.146 61.300 -0.505 0.000 1.385 167 I CB -0.183 37.499 38.000 -0.529 0.000 1.064 167 I HN 0.154 nan 8.210 nan 0.000 0.414 168 L N 0.223 121.343 121.223 -0.172 0.000 2.201 168 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 168 L C 2.495 179.339 176.870 -0.044 0.000 1.105 168 L CA 0.866 55.648 54.840 -0.096 0.000 0.775 168 L CB -0.585 41.412 42.059 -0.104 0.000 0.913 168 L HN 0.267 nan 8.230 nan 0.000 0.440 169 E N 0.377 120.535 120.200 -0.070 0.000 2.108 169 E HA -0.247 4.103 4.350 -0.000 0.000 0.203 169 E C -0.378 176.210 176.600 -0.020 0.000 1.022 169 E CA 1.794 58.168 56.400 -0.043 0.000 0.823 169 E CB -1.225 28.440 29.700 -0.059 0.000 0.744 169 E HN 0.485 nan 8.360 nan 0.000 0.456 170 P HA -0.176 nan 4.420 nan 0.000 0.215 170 P C 1.543 178.814 177.300 -0.048 0.000 1.157 170 P CA 1.114 64.202 63.100 -0.020 0.000 0.863 170 P CB -0.365 31.352 31.700 0.028 0.000 0.787 171 F N 1.286 121.085 119.950 -0.251 0.000 2.126 171 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 171 F C 2.188 177.904 175.800 -0.140 0.000 1.096 171 F CA 1.743 59.592 58.000 -0.253 0.000 1.255 171 F CB -0.290 38.519 39.000 -0.319 0.000 0.997 171 F HN -0.227 nan 8.300 nan 0.000 0.479 172 K N 0.379 120.890 120.400 0.185 0.000 1.969 172 K HA -0.274 4.046 4.320 -0.000 0.000 0.216 172 K C 2.124 178.708 176.600 -0.027 0.000 1.048 172 K CA 1.932 58.281 56.287 0.104 0.000 0.948 172 K CB -0.480 32.059 32.500 0.066 0.000 0.726 172 K HN 0.120 nan 8.250 nan 0.000 0.442 173 K N 0.919 121.298 120.400 -0.035 0.000 2.304 173 K HA -0.243 4.077 4.320 -0.000 0.000 0.204 173 K C 2.015 178.560 176.600 -0.092 0.000 1.044 173 K CA 1.446 57.702 56.287 -0.052 0.000 0.932 173 K CB 0.129 32.605 32.500 -0.040 0.000 0.735 173 K HN 0.214 nan 8.250 nan 0.000 0.468 174 Q N -0.136 119.567 119.800 -0.162 0.000 2.137 174 Q HA -0.020 4.320 4.340 -0.000 0.000 0.198 174 Q C 0.140 175.997 176.000 -0.238 0.000 0.960 174 Q CA 0.874 56.542 55.803 -0.225 0.000 0.847 174 Q CB 0.261 28.788 28.738 -0.351 0.000 0.915 174 Q HN 0.451 nan 8.270 nan 0.000 0.448 175 N N 1.320 119.857 118.700 -0.272 0.000 2.757 175 N HA 0.149 4.889 4.740 -0.000 0.000 0.296 175 N C -2.280 173.190 175.510 -0.067 0.000 1.874 175 N CA -0.927 52.011 53.050 -0.187 0.000 0.885 175 N CB 1.113 39.438 38.487 -0.270 0.000 1.242 175 N HN 0.089 nan 8.380 nan 0.000 0.488 176 P HA -0.088 nan 4.420 nan 0.000 0.231 176 P C -0.328 176.982 177.300 0.016 0.000 1.154 176 P CA 1.053 64.148 63.100 -0.008 0.000 0.762 176 P CB 0.222 31.913 31.700 -0.015 0.000 0.790 177 D N -0.252 120.160 120.400 0.020 0.000 2.755 177 D HA 0.312 4.952 4.640 -0.000 0.000 0.257 177 D C 0.102 176.445 176.300 0.072 0.000 1.291 177 D CA 0.031 54.057 54.000 0.044 0.000 0.836 177 D CB -0.002 40.819 40.800 0.035 0.000 1.059 177 D HN 0.209 nan 8.370 nan 0.000 0.486 178 I N 0.964 121.587 120.570 0.087 0.000 2.534 178 I HA 0.261 4.431 4.170 -0.000 0.000 0.288 178 I C -0.361 175.837 176.117 0.134 0.000 1.077 178 I CA -1.387 59.988 61.300 0.125 0.000 1.051 178 I CB 2.187 40.276 38.000 0.147 0.000 1.234 178 I HN -0.247 nan 8.210 nan 0.000 0.425 179 V N 4.724 124.734 119.914 0.161 0.000 2.509 179 V HA 0.556 4.676 4.120 -0.000 0.000 0.284 179 V C -0.120 176.100 176.094 0.210 0.000 1.047 179 V CA -0.399 62.010 62.300 0.181 0.000 0.952 179 V CB 1.419 33.400 31.823 0.264 0.000 0.988 179 V HN 0.532 nan 8.190 nan 0.000 0.469 180 I N 4.572 125.230 120.570 0.146 0.000 2.537 180 I HA 0.313 4.483 4.170 -0.000 0.000 0.276 180 I C -1.036 175.170 176.117 0.148 0.000 1.063 180 I CA -0.311 61.071 61.300 0.137 0.000 1.144 180 I CB 0.798 38.819 38.000 0.035 0.000 1.252 180 I HN 0.610 nan 8.210 nan 0.000 0.480 181 Y N 5.191 125.584 120.300 0.154 0.000 2.640 181 Y HA 0.111 4.661 4.550 -0.000 0.000 0.355 181 Y C 0.861 176.900 175.900 0.232 0.000 1.088 181 Y CA -0.269 57.923 58.100 0.154 0.000 1.443 181 Y CB 0.501 38.998 38.460 0.062 0.000 1.224 181 Y HN 0.520 nan 8.280 nan 0.000 0.516 182 Q N 3.040 122.975 119.800 0.226 0.000 2.278 182 Q HA 0.376 4.716 4.340 -0.000 0.000 0.257 182 Q C -1.776 174.386 176.000 0.271 0.000 0.928 182 Q CA -0.930 54.999 55.803 0.210 0.000 0.932 182 Q CB 1.490 30.278 28.738 0.083 0.000 1.221 182 Q HN 0.629 nan 8.270 nan 0.000 0.434 183 Y N 4.895 125.266 120.300 0.117 0.000 2.333 183 Y HA 0.401 4.951 4.550 -0.000 0.000 0.324 183 Y C -0.227 175.688 175.900 0.026 0.000 1.033 183 Y CA -0.810 57.323 58.100 0.054 0.000 1.224 183 Y CB 0.998 39.465 38.460 0.013 0.000 1.120 183 Y HN 1.041 nan 8.280 nan 0.000 0.457 184 M N 1.767 121.166 119.600 -0.336 0.000 7.319 184 M HA -0.317 4.163 4.480 -0.000 0.000 0.305 184 M C 0.096 176.382 176.300 -0.025 0.000 0.480 184 M CA 2.475 57.607 55.300 -0.280 0.000 1.311 184 M CB -0.888 31.436 32.600 -0.461 0.000 0.421 184 M HN 0.774 nan 8.290 nan 0.000 0.680 185 D N 0.558 120.877 120.400 -0.135 0.000 2.895 185 D HA 0.293 4.933 4.640 -0.000 0.000 0.258 185 D C -0.667 175.632 176.300 -0.001 0.000 1.311 185 D CA 0.034 54.001 54.000 -0.056 0.000 0.843 185 D CB -0.364 40.234 40.800 -0.336 0.000 1.055 185 D HN 0.537 nan 8.370 nan 0.000 0.486 186 D N 0.738 121.174 120.400 0.061 0.000 2.879 186 D HA 0.355 4.995 4.640 -0.000 0.000 0.236 186 D C -1.129 175.269 176.300 0.164 0.000 1.171 186 D CA -0.517 53.540 54.000 0.096 0.000 0.868 186 D CB 2.131 43.002 40.800 0.119 0.000 1.598 186 D HN 0.077 nan 8.370 nan 0.000 0.497 187 L N 3.195 124.498 121.223 0.133 0.000 2.385 187 L HA 0.370 4.710 4.340 -0.000 0.000 0.273 187 L C -1.090 175.880 176.870 0.167 0.000 0.990 187 L CA -1.173 53.762 54.840 0.157 0.000 0.821 187 L CB 2.180 44.264 42.059 0.042 0.000 1.279 187 L HN 0.389 nan 8.230 nan 0.000 0.412 188 Y N 3.927 124.295 120.300 0.114 0.000 2.417 188 Y HA 0.584 5.134 4.550 -0.000 0.000 0.336 188 Y C -0.909 174.974 175.900 -0.029 0.000 0.961 188 Y CA -0.669 57.398 58.100 -0.056 0.000 1.215 188 Y CB 1.113 39.363 38.460 -0.350 0.000 1.120 188 Y HN 0.268 nan 8.280 nan 0.000 0.499 189 V N 6.003 125.754 119.914 -0.273 0.000 2.459 189 V HA 0.891 5.011 4.120 -0.000 0.000 0.295 189 V C 0.261 176.215 176.094 -0.232 0.000 1.029 189 V CA -0.227 61.989 62.300 -0.139 0.000 0.874 189 V CB 1.243 32.989 31.823 -0.128 0.000 0.985 189 V HN 0.960 nan 8.190 nan 0.000 0.438 190 G N 2.430 111.226 108.800 -0.005 0.000 2.690 190 G HA2 0.835 4.795 3.960 -0.000 0.000 0.291 190 G HA3 0.835 4.795 3.960 -0.000 0.000 0.291 190 G C -0.976 174.058 174.900 0.223 0.000 1.403 190 G CA -0.037 45.123 45.100 0.099 0.000 0.864 190 G HN 1.192 nan 8.290 nan 0.000 0.480 191 S N -0.961 114.872 115.700 0.223 0.000 2.611 191 S HA 0.388 4.857 4.470 -0.000 0.000 0.270 191 S C -1.529 173.140 174.600 0.115 0.000 1.131 191 S CA -0.769 57.546 58.200 0.192 0.000 0.826 191 S CB 1.873 65.230 63.200 0.262 0.000 1.095 191 S HN 0.350 nan 8.310 nan 0.000 0.461 192 D N 1.302 121.761 120.400 0.099 0.000 2.881 192 D HA 0.348 4.988 4.640 -0.000 0.000 0.240 192 D C -0.046 176.290 176.300 0.060 0.000 1.249 192 D CA 0.164 54.202 54.000 0.064 0.000 0.839 192 D CB -0.178 40.658 40.800 0.061 0.000 1.042 192 D HN 0.384 nan 8.370 nan 0.000 0.475 193 L N 0.225 121.497 121.223 0.081 0.000 2.365 193 L HA 0.281 4.621 4.340 -0.000 0.000 0.267 193 L C 0.975 177.874 176.870 0.048 0.000 1.033 193 L CA -1.004 53.889 54.840 0.089 0.000 0.802 193 L CB 1.192 43.349 42.059 0.163 0.000 1.267 193 L HN -0.186 nan 8.230 nan 0.000 0.457 194 E N 1.006 121.239 120.200 0.055 0.000 2.383 194 E HA 0.064 4.414 4.350 -0.000 0.000 0.264 194 E C 1.064 177.696 176.600 0.053 0.000 1.050 194 E CA -0.317 56.106 56.400 0.037 0.000 0.896 194 E CB 1.015 30.738 29.700 0.039 0.000 0.982 194 E HN 0.367 nan 8.360 nan 0.000 0.424 195 I N 1.602 122.186 120.570 0.024 0.000 2.730 195 I HA -0.211 3.959 4.170 -0.000 0.000 0.266 195 I C 1.653 177.823 176.117 0.089 0.000 1.228 195 I CA 1.354 62.677 61.300 0.039 0.000 1.445 195 I CB -1.634 36.382 38.000 0.026 0.000 1.102 195 I HN 0.521 nan 8.210 nan 0.000 0.464 196 G N 0.320 109.168 108.800 0.080 0.000 2.599 196 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.210 196 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.210 196 G C 1.419 176.372 174.900 0.089 0.000 1.177 196 G CA -0.045 45.101 45.100 0.076 0.000 0.835 196 G HN 0.378 nan 8.290 nan 0.000 0.575 197 Q N -0.450 119.402 119.800 0.087 0.000 2.226 197 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 197 Q C 2.098 178.163 176.000 0.107 0.000 0.975 197 Q CA 1.384 57.234 55.803 0.079 0.000 0.866 197 Q CB -0.170 28.608 28.738 0.066 0.000 0.915 197 Q HN 0.725 nan 8.270 nan 0.000 0.440 198 H N 0.718 119.809 119.070 0.035 0.000 2.268 198 H HA -0.047 4.509 4.556 -0.000 0.000 0.304 198 H C 2.133 177.486 175.328 0.041 0.000 1.064 198 H CA 1.571 57.643 56.048 0.040 0.000 1.316 198 H CB 0.189 29.973 29.762 0.037 0.000 1.386 198 H HN -0.090 nan 8.280 nan 0.000 0.496 199 R N -0.163 120.444 120.500 0.178 0.000 2.133 199 R HA -0.107 4.233 4.340 -0.000 0.000 0.247 199 R C 2.196 178.516 176.300 0.033 0.000 1.151 199 R CA 2.070 58.224 56.100 0.091 0.000 0.971 199 R CB -0.801 29.561 30.300 0.103 0.000 0.866 199 R HN 0.423 nan 8.270 nan 0.000 0.447 200 T N -0.176 114.404 114.554 0.043 0.000 3.035 200 T HA -0.042 4.308 4.350 -0.000 0.000 0.268 200 T C 1.413 176.129 174.700 0.027 0.000 1.109 200 T CA 1.100 63.220 62.100 0.034 0.000 1.119 200 T CB -0.054 68.836 68.868 0.037 0.000 0.900 200 T HN 0.073 nan 8.240 nan 0.000 0.503 201 K N 0.825 121.226 120.400 0.001 0.000 2.141 201 K HA 0.254 4.574 4.320 -0.000 0.000 0.202 201 K C 2.015 178.638 176.600 0.038 0.000 1.045 201 K CA 0.194 56.496 56.287 0.024 0.000 0.971 201 K CB -0.409 32.083 32.500 -0.015 0.000 0.795 201 K HN 0.064 nan 8.250 nan 0.000 0.459 202 I N 1.721 122.231 120.570 -0.099 0.000 2.145 202 I HA -0.290 3.880 4.170 -0.000 0.000 0.244 202 I C 2.116 178.216 176.117 -0.029 0.000 1.075 202 I CA 1.599 62.833 61.300 -0.110 0.000 1.332 202 I CB -0.959 36.956 38.000 -0.141 0.000 1.033 202 I HN 0.302 nan 8.210 nan 0.000 0.410 203 E N 1.265 121.467 120.200 0.003 0.000 2.021 203 E HA -0.287 4.063 4.350 -0.000 0.000 0.200 203 E C 2.141 178.783 176.600 0.070 0.000 1.015 203 E CA 1.990 58.409 56.400 0.031 0.000 0.824 203 E CB -0.430 29.292 29.700 0.036 0.000 0.762 203 E HN 0.440 nan 8.360 nan 0.000 0.454 204 E N -0.452 119.809 120.200 0.102 0.000 2.253 204 E HA -0.248 4.102 4.350 -0.000 0.000 0.202 204 E C 2.140 178.903 176.600 0.272 0.000 1.014 204 E CA 1.366 57.868 56.400 0.169 0.000 0.823 204 E CB -0.246 29.549 29.700 0.158 0.000 0.736 204 E HN 0.404 nan 8.360 nan 0.000 0.478 205 L N -0.159 121.183 121.223 0.199 0.000 2.168 205 L HA -0.009 4.331 4.340 -0.000 0.000 0.203 205 L C 2.419 179.279 176.870 -0.016 0.000 1.078 205 L CA 0.703 55.515 54.840 -0.047 0.000 0.780 205 L CB -0.037 41.688 42.059 -0.556 0.000 0.939 205 L HN -0.035 nan 8.230 nan 0.000 0.451 206 R N -0.492 120.007 120.500 -0.002 0.000 2.081 206 R HA -0.182 4.158 4.340 -0.000 0.000 0.235 206 R C 2.264 178.605 176.300 0.068 0.000 1.131 206 R CA 1.876 57.985 56.100 0.015 0.000 0.960 206 R CB -0.393 29.912 30.300 0.008 0.000 0.856 206 R HN 0.516 nan 8.270 nan 0.000 0.436 207 Q N -0.590 119.268 119.800 0.097 0.000 2.084 207 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 207 Q C 2.120 178.215 176.000 0.157 0.000 0.978 207 Q CA 1.362 57.231 55.803 0.109 0.000 0.844 207 Q CB -0.238 28.567 28.738 0.113 0.000 0.898 207 Q HN 0.525 nan 8.270 nan 0.000 0.426 208 H N 0.933 120.079 119.070 0.126 0.000 2.290 208 H HA -0.123 4.433 4.556 -0.000 0.000 0.298 208 H C 2.070 177.554 175.328 0.259 0.000 1.087 208 H CA 1.539 57.713 56.048 0.210 0.000 1.291 208 H CB -0.030 29.863 29.762 0.218 0.000 1.369 208 H HN 0.202 nan 8.280 nan 0.000 0.492 209 L N 0.319 121.642 121.223 0.167 0.000 2.046 209 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 209 L C 2.926 179.866 176.870 0.117 0.000 1.077 209 L CA 0.757 55.662 54.840 0.108 0.000 0.747 209 L CB -0.488 41.604 42.059 0.056 0.000 0.896 209 L HN 0.243 nan 8.230 nan 0.000 0.432 210 L N 0.935 122.210 121.223 0.085 0.000 1.971 210 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 210 L C 3.062 179.955 176.870 0.037 0.000 1.072 210 L CA 2.707 57.584 54.840 0.060 0.000 0.758 210 L CB -0.942 41.145 42.059 0.047 0.000 0.889 210 L HN 0.185 nan 8.230 nan 0.000 0.433 211 R N -1.172 119.334 120.500 0.010 0.000 2.200 211 R HA -0.210 4.130 4.340 -0.000 0.000 0.234 211 R C 1.611 177.794 176.300 -0.196 0.000 1.127 211 R CA 1.904 57.944 56.100 -0.099 0.000 0.989 211 R CB -2.177 28.049 30.300 -0.123 0.000 0.869 211 R HN 0.773 nan 8.270 nan 0.000 0.459 212 W N -1.082 120.129 121.300 -0.149 0.000 3.223 212 W HA 0.420 5.080 4.660 -0.000 0.000 0.389 212 W C 1.477 177.957 176.519 -0.065 0.000 1.118 212 W CA 0.404 57.669 57.345 -0.134 0.000 1.902 212 W CB 0.568 29.905 29.460 -0.206 0.000 1.094 212 W HN 0.546 nan 8.180 nan 0.000 0.666 213 G N -0.200 108.684 108.800 0.140 0.000 2.241 213 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 213 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 213 G C 0.010 174.985 174.900 0.126 0.000 0.998 213 G CA -0.238 44.934 45.100 0.121 0.000 0.621 213 G HN -0.002 nan 8.290 nan 0.000 0.519 214 L N 2.649 123.949 121.223 0.129 0.000 2.312 214 L HA 0.435 4.775 4.340 -0.000 0.000 0.287 214 L C 1.205 178.125 176.870 0.084 0.000 1.091 214 L CA 0.696 55.602 54.840 0.110 0.000 0.846 214 L CB 0.037 42.147 42.059 0.086 0.000 1.219 214 L HN 0.363 nan 8.230 nan 0.000 0.439 215 T N 1.378 115.981 114.554 0.081 0.000 2.814 215 T HA 0.232 4.582 4.350 -0.000 0.000 0.297 215 T C 0.603 175.331 174.700 0.048 0.000 0.956 215 T CA -0.375 61.761 62.100 0.060 0.000 1.123 215 T CB 0.193 69.096 68.868 0.059 0.000 0.902 215 T HN 0.654 nan 8.240 nan 0.000 0.528 216 T N 4.248 118.822 114.554 0.034 0.000 3.355 216 T HA 0.473 4.823 4.350 -0.000 0.000 0.376 216 T C -2.454 172.257 174.700 0.019 0.000 1.683 216 T CA -1.617 60.495 62.100 0.020 0.000 1.269 216 T CB 0.100 68.971 68.868 0.006 0.000 1.158 216 T HN 0.444 nan 8.240 nan 0.000 0.703 217 P HA 0.043 nan 4.420 nan 0.000 0.271 217 P C 0.230 177.544 177.300 0.024 0.000 1.228 217 P CA -0.209 62.907 63.100 0.026 0.000 0.797 217 P CB 0.451 32.169 31.700 0.030 0.000 0.914 218 D N 0.960 121.378 120.400 0.029 0.000 2.856 218 D HA -0.004 4.636 4.640 -0.000 0.000 0.242 218 D C 0.545 176.872 176.300 0.044 0.000 1.226 218 D CA 0.433 54.452 54.000 0.032 0.000 0.855 218 D CB -0.247 40.572 40.800 0.031 0.000 1.065 218 D HN 0.491 nan 8.370 nan 0.000 0.462 219 K N -0.133 120.296 120.400 0.048 0.000 2.896 219 K HA 0.184 4.504 4.320 -0.000 0.000 0.210 219 K C -0.169 176.486 176.600 0.092 0.000 1.116 219 K CA -0.776 55.555 56.287 0.074 0.000 1.050 219 K CB 0.222 32.760 32.500 0.063 0.000 0.812 219 K HN -0.181 nan 8.250 nan 0.000 0.462 220 K N 0.137 120.580 120.400 0.073 0.000 2.156 220 K HA 0.310 4.630 4.320 -0.000 0.000 0.254 220 K C -1.061 175.623 176.600 0.139 0.000 0.950 220 K CA -0.640 55.663 56.287 0.028 0.000 0.849 220 K CB 0.527 33.006 32.500 -0.034 0.000 1.100 220 K HN 0.199 nan 8.250 nan 0.000 0.434 221 H N 1.529 120.520 119.070 -0.132 0.000 2.668 221 H HA 0.156 4.712 4.556 -0.000 0.000 0.303 221 H C -0.630 174.548 175.328 -0.250 0.000 1.074 221 H CA -0.844 55.090 56.048 -0.190 0.000 1.406 221 H CB 0.973 30.522 29.762 -0.355 0.000 1.442 221 H HN 0.665 nan 8.280 nan 0.000 0.482 222 Q N 2.100 121.925 119.800 0.041 0.000 2.305 222 Q HA 0.304 4.644 4.340 -0.000 0.000 0.271 222 Q C -0.511 175.575 176.000 0.144 0.000 1.046 222 Q CA -1.361 54.473 55.803 0.053 0.000 0.798 222 Q CB 2.126 30.894 28.738 0.049 0.000 1.286 222 Q HN 0.559 nan 8.270 nan 0.000 0.435 223 K N 0.918 121.442 120.400 0.205 0.000 2.948 223 K HA -0.266 4.054 4.320 -0.000 0.000 0.253 223 K C -0.225 176.501 176.600 0.209 0.000 0.970 223 K CA 1.468 57.871 56.287 0.193 0.000 0.716 223 K CB -0.787 31.777 32.500 0.108 0.000 1.249 223 K HN 0.777 nan 8.250 nan 0.000 0.483 224 E N -0.007 120.424 120.200 0.384 0.000 2.685 224 E HA 0.075 4.424 4.350 -0.000 0.000 0.208 224 E C -2.374 174.410 176.600 0.307 0.000 0.996 224 E CA -1.448 55.129 56.400 0.295 0.000 1.054 224 E CB 0.623 30.435 29.700 0.188 0.000 1.075 224 E HN 0.253 nan 8.360 nan 0.000 0.460 225 P HA 0.028 nan 4.420 nan 0.000 0.266 225 P C -2.541 174.640 177.300 -0.198 0.000 1.193 225 P CA -0.823 62.010 63.100 -0.445 0.000 0.770 225 P CB 0.010 31.302 31.700 -0.681 0.000 0.836 226 P HA 0.163 nan 4.420 nan 0.000 0.268 226 P C -0.563 176.808 177.300 0.117 0.000 1.205 226 P CA 0.395 63.328 63.100 -0.278 0.000 0.771 226 P CB 0.170 31.714 31.700 -0.259 0.000 0.858 227 F N 2.104 122.108 119.950 0.090 0.000 2.410 227 F HA 0.275 4.802 4.527 -0.000 0.000 0.349 227 F C 0.814 176.831 175.800 0.362 0.000 1.117 227 F CA -1.109 57.060 58.000 0.282 0.000 1.104 227 F CB 0.849 40.023 39.000 0.291 0.000 1.122 227 F HN -0.036 nan 8.300 nan 0.000 0.483 228 L N 4.170 125.779 121.223 0.643 0.000 2.387 228 L HA 0.137 4.477 4.340 -0.000 0.000 0.267 228 L C -0.970 176.212 176.870 0.521 0.000 1.197 228 L CA -0.165 54.981 54.840 0.511 0.000 1.070 228 L CB -0.328 41.971 42.059 0.400 0.000 1.349 228 L HN 0.603 nan 8.230 nan 0.000 0.422 229 W N 5.823 127.300 121.300 0.296 0.000 2.475 229 W HA 0.420 5.080 4.660 -0.000 0.000 0.317 229 W C 0.485 177.096 176.519 0.152 0.000 1.046 229 W CA -0.787 56.667 57.345 0.181 0.000 1.215 229 W CB 1.137 30.694 29.460 0.162 0.000 1.335 229 W HN 0.298 nan 8.180 nan 0.000 0.471 230 M N 5.402 124.670 119.600 -0.553 0.000 2.612 230 M HA -0.233 4.247 4.480 -0.000 0.000 0.194 230 M C 1.065 177.385 176.300 0.034 0.000 0.530 230 M CA 1.884 56.846 55.300 -0.563 0.000 0.548 230 M CB -2.343 29.456 32.600 -1.335 0.000 2.013 230 M HN 1.342 nan 8.290 nan 0.000 0.711 231 G N -2.060 106.821 108.800 0.136 0.000 2.141 231 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.231 231 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.231 231 G C -0.233 174.796 174.900 0.214 0.000 0.984 231 G CA 0.401 45.586 45.100 0.142 0.000 0.660 231 G HN 0.528 nan 8.290 nan 0.000 0.525 232 Y N -0.275 120.139 120.300 0.190 0.000 2.833 232 Y HA 0.789 5.339 4.550 -0.000 0.000 0.323 232 Y C 0.658 176.759 175.900 0.335 0.000 1.220 232 Y CA -1.461 56.809 58.100 0.284 0.000 1.174 232 Y CB 0.937 39.531 38.460 0.223 0.000 1.404 232 Y HN 0.090 nan 8.280 nan 0.000 0.607 233 E N 0.832 121.401 120.200 0.615 0.000 2.278 233 E HA 0.447 4.797 4.350 -0.000 0.000 0.272 233 E C -1.847 175.108 176.600 0.591 0.000 0.890 233 E CA -0.476 56.227 56.400 0.504 0.000 0.770 233 E CB 2.094 32.073 29.700 0.466 0.000 1.212 233 E HN 0.361 nan 8.360 nan 0.000 0.415 234 L N 3.737 125.222 121.223 0.435 0.000 2.272 234 L HA 0.425 4.765 4.340 -0.000 0.000 0.289 234 L C -0.621 176.345 176.870 0.159 0.000 1.032 234 L CA -0.663 54.442 54.840 0.442 0.000 0.810 234 L CB 0.515 42.809 42.059 0.392 0.000 1.205 234 L HN 0.442 nan 8.230 nan 0.000 0.422 235 H N 3.037 122.239 119.070 0.220 0.000 2.472 235 H HA 0.288 4.844 4.556 -0.000 0.000 0.338 235 H C -1.764 173.571 175.328 0.012 0.000 1.133 235 H CA -2.031 54.038 56.048 0.035 0.000 1.216 235 H CB 1.173 30.950 29.762 0.024 0.000 1.497 235 H HN 0.275 nan 8.280 nan 0.000 0.500 236 P HA -0.223 nan 4.420 nan 0.000 0.218 236 P C 0.383 177.647 177.300 -0.060 0.000 1.152 236 P CA 1.672 64.782 63.100 0.017 0.000 0.857 236 P CB 0.433 32.116 31.700 -0.027 0.000 0.787 237 D N -2.693 117.636 120.400 -0.118 0.000 2.422 237 D HA 0.113 4.753 4.640 -0.000 0.000 0.218 237 D C 1.171 177.239 176.300 -0.387 0.000 1.047 237 D CA 0.770 54.634 54.000 -0.225 0.000 0.885 237 D CB 0.555 41.291 40.800 -0.108 0.000 1.035 237 D HN 0.181 nan 8.370 nan 0.000 0.502 238 K N 0.818 121.064 120.400 -0.257 0.000 2.318 238 K HA 0.633 4.953 4.320 -0.000 0.000 0.265 238 K C -1.729 174.980 176.600 0.182 0.000 1.055 238 K CA -0.963 55.219 56.287 -0.174 0.000 0.896 238 K CB 1.675 34.124 32.500 -0.086 0.000 1.479 238 K HN 0.232 nan 8.250 nan 0.000 0.449 239 W N 0.493 121.872 121.300 0.131 0.000 3.372 239 W HA 0.658 5.318 4.660 -0.000 0.000 0.315 239 W C -0.953 175.681 176.519 0.192 0.000 1.223 239 W CA -0.364 57.165 57.345 0.306 0.000 1.202 239 W CB 0.771 30.513 29.460 0.470 0.000 1.367 239 W HN 0.928 nan 8.180 nan 0.000 0.531 240 T N 1.014 115.871 114.554 0.506 0.000 2.908 240 T HA 0.466 4.816 4.350 -0.000 0.000 0.290 240 T C -1.138 173.854 174.700 0.487 0.000 1.034 240 T CA -0.402 61.853 62.100 0.259 0.000 1.010 240 T CB 2.121 71.053 68.868 0.105 0.000 1.068 240 T HN 0.587 nan 8.240 nan 0.000 0.481 241 V N 4.654 124.709 119.914 0.235 0.000 2.498 241 V HA 0.382 4.502 4.120 -0.000 0.000 0.279 241 V C 0.376 176.560 176.094 0.149 0.000 1.048 241 V CA -0.349 62.013 62.300 0.102 0.000 0.967 241 V CB 0.971 32.718 31.823 -0.127 0.000 0.988 241 V HN 1.006 nan 8.190 nan 0.000 0.473 242 Q N 8.037 127.940 119.800 0.173 0.000 2.269 242 Q HA 0.134 4.474 4.340 -0.000 0.000 0.300 242 Q C -1.978 174.131 176.000 0.182 0.000 1.070 242 Q CA -1.017 54.895 55.803 0.181 0.000 0.957 242 Q CB 0.172 29.004 28.738 0.156 0.000 1.131 242 Q HN 0.641 nan 8.270 nan 0.000 0.377 243 P HA -0.193 nan 4.420 nan 0.000 0.264 243 P C -0.711 176.683 177.300 0.157 0.000 1.156 243 P CA 0.965 64.156 63.100 0.152 0.000 0.756 243 P CB 0.436 32.204 31.700 0.113 0.000 0.764 244 I N 3.755 124.431 120.570 0.177 0.000 2.359 244 I HA 0.132 4.302 4.170 -0.000 0.000 0.284 244 I C 0.174 176.356 176.117 0.108 0.000 1.018 244 I CA -1.160 60.241 61.300 0.169 0.000 1.173 244 I CB 1.123 39.274 38.000 0.252 0.000 1.326 244 I HN 0.064 nan 8.210 nan 0.000 0.462 245 V N 7.263 127.222 119.914 0.075 0.000 2.096 245 V HA 0.282 4.402 4.120 -0.000 0.000 0.259 245 V C 0.336 176.459 176.094 0.048 0.000 1.420 245 V CA -0.755 61.576 62.300 0.051 0.000 1.336 245 V CB -0.678 31.165 31.823 0.033 0.000 1.394 245 V HN 0.622 nan 8.190 nan 0.000 0.494 246 L N 1.485 122.746 121.223 0.063 0.000 2.525 246 L HA 0.452 4.792 4.340 -0.000 0.000 0.278 246 L C -2.079 174.832 176.870 0.068 0.000 1.218 246 L CA -1.355 53.529 54.840 0.074 0.000 0.878 246 L CB -0.966 41.147 42.059 0.090 0.000 1.127 246 L HN 0.235 nan 8.230 nan 0.000 0.492 247 P HA 0.039 nan 4.420 nan 0.000 0.266 247 P C -0.292 177.044 177.300 0.060 0.000 1.215 247 P CA 0.071 63.174 63.100 0.005 0.000 0.763 247 P CB 0.458 32.137 31.700 -0.036 0.000 0.806 248 E N 1.989 122.194 120.200 0.009 0.000 2.651 248 E HA 0.141 4.491 4.350 -0.000 0.000 0.208 248 E C -0.293 176.280 176.600 -0.046 0.000 0.997 248 E CA -0.631 55.843 56.400 0.123 0.000 1.020 248 E CB 0.136 29.906 29.700 0.117 0.000 1.052 248 E HN 0.300 nan 8.360 nan 0.000 0.465 249 K N 1.573 121.729 120.400 -0.407 0.000 2.457 249 K HA -0.096 4.224 4.320 -0.000 0.000 0.269 249 K C 0.414 176.708 176.600 -0.510 0.000 0.969 249 K CA 0.997 56.981 56.287 -0.505 0.000 0.921 249 K CB 0.353 32.472 32.500 -0.634 0.000 0.940 249 K HN 0.201 nan 8.250 nan 0.000 0.517 250 D N -0.493 119.726 120.400 -0.302 0.000 2.144 250 D HA -0.112 4.528 4.640 -0.000 0.000 0.207 250 D C 0.092 176.324 176.300 -0.112 0.000 0.970 250 D CA 0.492 54.436 54.000 -0.093 0.000 0.853 250 D CB -0.097 40.677 40.800 -0.043 0.000 1.007 250 D HN 0.357 nan 8.370 nan 0.000 0.469 251 S N -0.595 114.962 115.700 -0.239 0.000 2.452 251 S HA 0.435 4.905 4.470 -0.000 0.000 0.284 251 S C -1.075 173.356 174.600 -0.282 0.000 1.171 251 S CA -0.992 57.135 58.200 -0.122 0.000 1.064 251 S CB 0.162 63.316 63.200 -0.077 0.000 0.967 251 S HN 0.265 nan 8.310 nan 0.000 0.484 252 W N 2.155 123.452 121.300 -0.004 0.000 2.376 252 W HA 0.522 5.182 4.660 -0.000 0.000 0.312 252 W C 0.590 177.107 176.519 -0.003 0.000 1.060 252 W CA -0.560 56.783 57.345 -0.004 0.000 1.221 252 W CB 1.344 30.802 29.460 -0.003 0.000 1.281 252 W HN 0.794 nan 8.180 nan 0.000 0.456 253 T N -0.635 114.009 114.554 0.151 0.000 2.918 253 T HA 0.265 4.615 4.350 -0.000 0.000 0.286 253 T C 0.618 175.385 174.700 0.111 0.000 1.026 253 T CA -0.731 61.428 62.100 0.098 0.000 1.031 253 T CB 1.858 70.748 68.868 0.036 0.000 1.046 253 T HN 0.334 nan 8.240 nan 0.000 0.479 254 V N 2.025 121.988 119.914 0.082 0.000 2.277 254 V HA -0.256 3.864 4.120 -0.000 0.000 0.253 254 V C 2.440 178.574 176.094 0.067 0.000 1.067 254 V CA 2.796 65.138 62.300 0.071 0.000 1.047 254 V CB -1.008 30.843 31.823 0.046 0.000 0.649 254 V HN 1.027 nan 8.190 nan 0.000 0.447 255 N N 0.030 118.759 118.700 0.048 0.000 2.025 255 N HA -0.199 4.541 4.740 -0.000 0.000 0.194 255 N C 1.624 177.162 175.510 0.045 0.000 1.044 255 N CA 2.173 55.244 53.050 0.035 0.000 0.851 255 N CB -0.516 37.980 38.487 0.015 0.000 1.036 255 N HN 0.607 nan 8.380 nan 0.000 0.422 256 D N 0.786 121.213 120.400 0.045 0.000 2.271 256 D HA -0.127 4.512 4.640 -0.000 0.000 0.207 256 D C 2.011 178.393 176.300 0.136 0.000 0.983 256 D CA 0.518 54.545 54.000 0.045 0.000 0.878 256 D CB -0.034 40.748 40.800 -0.030 0.000 0.920 256 D HN 0.477 nan 8.370 nan 0.000 0.479 257 I N 0.427 121.097 120.570 0.167 0.000 2.202 257 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 257 I C 2.592 178.778 176.117 0.115 0.000 1.091 257 I CA 0.535 61.942 61.300 0.179 0.000 1.368 257 I CB -0.401 37.679 38.000 0.133 0.000 1.058 257 I HN 0.048 nan 8.210 nan 0.000 0.410 258 C N 0.895 120.243 119.300 0.081 0.000 2.403 258 C HA -0.209 4.251 4.460 -0.000 0.000 0.277 258 C C 2.826 177.852 174.990 0.060 0.000 1.248 258 C CA 1.134 60.187 59.018 0.060 0.000 1.762 258 C CB -1.000 26.765 27.740 0.042 0.000 2.014 258 C HN 0.442 nan 8.230 nan 0.000 0.486 259 K N -0.134 120.301 120.400 0.060 0.000 2.283 259 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 259 K C 1.763 178.408 176.600 0.075 0.000 1.048 259 K CA 0.823 57.140 56.287 0.049 0.000 0.948 259 K CB -0.096 32.421 32.500 0.028 0.000 0.742 259 K HN 0.409 nan 8.250 nan 0.000 0.458 260 L N -0.320 120.968 121.223 0.109 0.000 2.115 260 L HA -0.033 4.307 4.340 -0.000 0.000 0.200 260 L C 1.994 178.926 176.870 0.102 0.000 1.094 260 L CA 1.079 55.994 54.840 0.126 0.000 0.769 260 L CB -0.790 41.379 42.059 0.184 0.000 0.931 260 L HN -0.018 nan 8.230 nan 0.000 0.455 261 V N 0.448 120.415 119.914 0.089 0.000 2.250 261 V HA -0.323 3.797 4.120 -0.000 0.000 0.253 261 V C 2.302 178.450 176.094 0.089 0.000 1.065 261 V CA 2.575 64.919 62.300 0.074 0.000 1.039 261 V CB -1.291 30.567 31.823 0.059 0.000 0.647 261 V HN 0.672 nan 8.190 nan 0.000 0.446 262 G N -0.800 108.053 108.800 0.087 0.000 2.545 262 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.217 262 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.217 262 G C 1.635 176.625 174.900 0.149 0.000 1.218 262 G CA 1.182 46.343 45.100 0.101 0.000 0.787 262 G HN 0.551 nan 8.290 nan 0.000 0.571 263 K N -0.047 120.436 120.400 0.139 0.000 2.059 263 K HA -0.096 4.224 4.320 -0.000 0.000 0.212 263 K C 2.620 179.368 176.600 0.247 0.000 1.050 263 K CA 1.306 57.716 56.287 0.205 0.000 0.927 263 K CB -0.483 32.106 32.500 0.149 0.000 0.714 263 K HN 0.312 nan 8.250 nan 0.000 0.447 264 L N 1.258 122.578 121.223 0.162 0.000 1.997 264 L HA -0.322 4.018 4.340 -0.000 0.000 0.216 264 L C 2.220 179.176 176.870 0.142 0.000 1.074 264 L CA 1.392 56.309 54.840 0.129 0.000 0.763 264 L CB -0.849 41.260 42.059 0.083 0.000 0.890 264 L HN 0.297 nan 8.230 nan 0.000 0.434 265 N N -0.341 118.448 118.700 0.149 0.000 2.018 265 N HA -0.289 4.451 4.740 -0.000 0.000 0.196 265 N C 1.561 177.176 175.510 0.174 0.000 1.043 265 N CA 1.882 55.020 53.050 0.146 0.000 0.856 265 N CB -0.662 37.917 38.487 0.153 0.000 1.042 265 N HN 0.566 nan 8.380 nan 0.000 0.423 266 W N 2.011 123.348 121.300 0.061 0.000 2.313 266 W HA -0.239 4.421 4.660 -0.000 0.000 0.293 266 W C 1.764 178.327 176.519 0.073 0.000 1.216 266 W CA 1.848 59.224 57.345 0.052 0.000 1.223 266 W CB -0.101 29.374 29.460 0.024 0.000 1.138 266 W HN 0.063 nan 8.180 nan 0.000 0.535 267 A N -0.021 122.809 122.820 0.016 0.000 1.975 267 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 267 A C 1.938 179.532 177.584 0.017 0.000 1.170 267 A CA 1.287 53.337 52.037 0.022 0.000 0.656 267 A CB -0.982 18.179 19.000 0.269 0.000 0.821 267 A HN 0.202 nan 8.150 nan 0.000 0.449 268 S N 0.759 116.475 115.700 0.026 0.000 2.462 268 S HA -0.257 4.212 4.470 -0.000 0.000 0.243 268 S C 2.000 176.570 174.600 -0.050 0.000 1.003 268 S CA 1.569 59.774 58.200 0.008 0.000 0.970 268 S CB -0.418 62.797 63.200 0.026 0.000 0.762 268 S HN 0.896 nan 8.310 nan 0.000 0.510 269 Q N 0.177 119.921 119.800 -0.093 0.000 2.187 269 Q HA 0.060 4.400 4.340 -0.000 0.000 0.199 269 Q C 1.982 177.975 176.000 -0.011 0.000 0.957 269 Q CA 1.093 56.870 55.803 -0.044 0.000 0.857 269 Q CB -0.231 28.472 28.738 -0.059 0.000 0.929 269 Q HN 0.591 nan 8.270 nan 0.000 0.453 270 I N -1.202 119.290 120.570 -0.130 0.000 4.124 270 I HA 0.158 4.328 4.170 -0.000 0.000 0.311 270 I C -0.431 175.521 176.117 -0.274 0.000 1.259 270 I CA -0.485 60.683 61.300 -0.220 0.000 1.315 270 I CB 0.638 38.397 38.000 -0.403 0.000 1.223 270 I HN -0.034 nan 8.210 nan 0.000 0.441 271 Y N 4.121 124.359 120.300 -0.103 0.000 2.584 271 Y HA 0.345 4.895 4.550 -0.000 0.000 0.351 271 Y C -2.041 173.798 175.900 -0.102 0.000 1.030 271 Y CA -3.035 55.006 58.100 -0.098 0.000 1.332 271 Y CB -0.857 37.557 38.460 -0.077 0.000 1.148 271 Y HN 0.098 nan 8.280 nan 0.000 0.528 272 P HA -0.053 nan 4.420 nan 0.000 0.259 272 P C 0.286 177.575 177.300 -0.019 0.000 1.163 272 P CA 0.998 64.080 63.100 -0.030 0.000 0.760 272 P CB 0.390 32.057 31.700 -0.056 0.000 0.762 273 G N 4.133 112.907 108.800 -0.043 0.000 2.622 273 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.173 273 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.173 273 G C -0.564 174.330 174.900 -0.011 0.000 0.190 273 G CA -0.587 44.498 45.100 -0.025 0.000 1.082 273 G HN 0.454 nan 8.290 nan 0.000 0.505 274 I N 2.493 123.062 120.570 -0.001 0.000 2.534 274 I HA 0.365 4.535 4.170 -0.000 0.000 0.288 274 I C 0.210 176.333 176.117 0.010 0.000 1.077 274 I CA -1.024 60.277 61.300 0.003 0.000 1.051 274 I CB 1.967 39.979 38.000 0.020 0.000 1.234 274 I HN 0.461 nan 8.210 nan 0.000 0.425 275 K N 4.503 124.902 120.400 -0.002 0.000 2.213 275 K HA 0.615 4.934 4.320 -0.000 0.000 0.270 275 K C 0.236 176.836 176.600 -0.001 0.000 1.002 275 K CA -0.393 55.895 56.287 0.001 0.000 0.868 275 K CB 2.570 35.062 32.500 -0.013 0.000 1.093 275 K HN 0.391 nan 8.250 nan 0.000 0.454 276 V N 1.870 121.789 119.914 0.009 0.000 3.426 276 V HA -0.023 4.097 4.120 -0.000 0.000 0.271 276 V C 1.636 177.731 176.094 0.002 0.000 1.530 276 V CA -0.083 62.221 62.300 0.007 0.000 1.021 276 V CB 0.384 32.222 31.823 0.025 0.000 0.824 276 V HN 0.674 nan 8.190 nan 0.000 0.432 277 R N 1.609 122.113 120.500 0.006 0.000 2.170 277 R HA -0.188 4.151 4.340 -0.000 0.000 0.242 277 R C 1.977 178.271 176.300 -0.010 0.000 1.145 277 R CA 1.894 57.995 56.100 0.002 0.000 0.984 277 R CB -0.398 29.905 30.300 0.005 0.000 0.869 277 R HN 0.519 nan 8.270 nan 0.000 0.455 278 Q N 0.869 120.657 119.800 -0.019 0.000 1.927 278 Q HA -0.172 4.168 4.340 -0.000 0.000 0.210 278 Q C 2.110 178.088 176.000 -0.037 0.000 1.001 278 Q CA 2.175 57.959 55.803 -0.032 0.000 0.862 278 Q CB -0.658 28.055 28.738 -0.041 0.000 0.934 278 Q HN 0.647 nan 8.270 nan 0.000 0.420 279 L N -0.820 120.376 121.223 -0.045 0.000 2.650 279 L HA 0.198 4.538 4.340 -0.000 0.000 0.235 279 L C 2.149 179.004 176.870 -0.025 0.000 1.149 279 L CA 0.526 55.335 54.840 -0.052 0.000 0.887 279 L CB -0.211 41.799 42.059 -0.083 0.000 1.021 279 L HN 0.024 nan 8.230 nan 0.000 0.441 280 S N 0.999 116.692 115.700 -0.012 0.000 2.338 280 S HA -0.106 4.364 4.470 -0.000 0.000 0.218 280 S C 1.884 176.484 174.600 0.000 0.000 1.032 280 S CA 0.892 59.093 58.200 0.001 0.000 0.999 280 S CB -0.070 63.133 63.200 0.005 0.000 0.905 280 S HN 0.400 nan 8.310 nan 0.000 0.439 281 K N 1.515 121.912 120.400 -0.005 0.000 2.589 281 K HA 0.021 4.341 4.320 -0.000 0.000 0.195 281 K C 1.631 178.228 176.600 -0.005 0.000 1.042 281 K CA 0.395 56.679 56.287 -0.004 0.000 0.940 281 K CB -0.681 31.814 32.500 -0.008 0.000 0.776 281 K HN 0.515 nan 8.250 nan 0.000 0.487 282 L N -0.160 121.058 121.223 -0.007 0.000 2.376 282 L HA -0.085 4.255 4.340 -0.000 0.000 0.219 282 L C 1.864 178.740 176.870 0.010 0.000 1.133 282 L CA 0.630 55.467 54.840 -0.004 0.000 0.816 282 L CB -0.279 41.773 42.059 -0.013 0.000 0.933 282 L HN 0.097 nan 8.230 nan 0.000 0.449 283 L N -0.677 120.554 121.223 0.013 0.000 2.354 283 L HA 0.103 4.443 4.340 -0.000 0.000 0.212 283 L C 1.916 178.795 176.870 0.015 0.000 1.091 283 L CA -0.296 54.555 54.840 0.019 0.000 0.828 283 L CB -0.779 41.294 42.059 0.023 0.000 0.973 283 L HN 0.152 nan 8.230 nan 0.000 0.461 284 R N 1.782 122.288 120.500 0.010 0.000 2.829 284 R HA 0.346 4.686 4.340 -0.000 0.000 0.267 284 R C 0.983 177.288 176.300 0.009 0.000 0.985 284 R CA 0.474 56.579 56.100 0.009 0.000 1.128 284 R CB -1.465 28.838 30.300 0.005 0.000 1.010 284 R HN 0.517 nan 8.270 nan 0.000 0.449 285 G N -0.443 108.362 108.800 0.009 0.000 2.757 285 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.686 285 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.686 285 G C 0.250 175.156 174.900 0.010 0.000 1.452 285 G CA -0.022 45.084 45.100 0.009 0.000 0.922 285 G HN 1.608 nan 8.290 nan 0.000 0.588 286 T N 2.809 117.369 114.554 0.010 0.000 2.891 286 T HA 0.522 4.872 4.350 -0.000 0.000 0.258 286 T C 1.094 175.801 174.700 0.011 0.000 0.942 286 T CA 1.365 63.471 62.100 0.010 0.000 1.200 286 T CB -0.195 68.678 68.868 0.009 0.000 0.922 286 T HN 1.103 nan 8.240 nan 0.000 0.585 287 K N 1.331 121.738 120.400 0.012 0.000 2.502 287 K HA 0.942 5.262 4.320 -0.000 0.000 0.252 287 K C 0.710 177.318 176.600 0.013 0.000 1.043 287 K CA -0.297 55.998 56.287 0.013 0.000 0.999 287 K CB 0.241 32.751 32.500 0.017 0.000 1.343 287 K HN 0.534 nan 8.250 nan 0.000 0.513 288 A N -1.199 121.629 122.820 0.014 0.000 3.699 288 A HA 0.717 5.037 4.320 -0.000 0.000 0.167 288 A C 0.865 178.457 177.584 0.014 0.000 1.780 288 A CA 0.916 52.961 52.037 0.013 0.000 1.483 288 A CB 0.028 19.035 19.000 0.012 0.000 1.720 288 A HN 1.121 nan 8.150 nan 0.000 0.671 289 L N -3.762 117.469 121.223 0.013 0.000 3.712 289 L HA 0.213 4.553 4.340 -0.000 0.000 0.357 289 L C 1.340 178.217 176.870 0.012 0.000 1.071 289 L CA 1.396 56.244 54.840 0.013 0.000 1.346 289 L CB 0.349 42.413 42.059 0.009 0.000 1.923 289 L HN 0.584 nan 8.230 nan 0.000 0.621 290 T N -1.238 113.322 114.554 0.009 0.000 2.975 290 T HA 0.145 4.495 4.350 -0.000 0.000 0.257 290 T C 0.565 175.272 174.700 0.011 0.000 1.003 290 T CA -0.262 61.842 62.100 0.006 0.000 0.932 290 T CB 0.472 69.340 68.868 -0.001 0.000 1.087 290 T HN 0.124 nan 8.240 nan 0.000 0.512 291 E N 2.368 122.577 120.200 0.015 0.000 2.529 291 E HA 0.097 4.447 4.350 -0.000 0.000 0.259 291 E C -0.178 176.440 176.600 0.030 0.000 0.966 291 E CA -0.216 56.195 56.400 0.020 0.000 0.937 291 E CB 0.524 30.236 29.700 0.019 0.000 0.923 291 E HN 0.040 nan 8.360 nan 0.000 0.468 292 V N 4.652 124.586 119.914 0.032 0.000 3.376 292 V HA 0.167 4.287 4.120 -0.000 0.000 0.303 292 V C 0.347 176.477 176.094 0.059 0.000 1.100 292 V CA 0.010 62.340 62.300 0.050 0.000 1.126 292 V CB 0.876 32.725 31.823 0.044 0.000 1.085 292 V HN 0.625 nan 8.190 nan 0.000 0.480 293 I N 2.604 123.226 120.570 0.087 0.000 2.743 293 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 293 I C -2.695 173.470 176.117 0.081 0.000 1.343 293 I CA -1.853 59.491 61.300 0.073 0.000 1.038 293 I CB 2.593 40.635 38.000 0.069 0.000 1.311 293 I HN 0.512 nan 8.210 nan 0.000 0.426 294 P HA 0.184 nan 4.420 nan 0.000 0.276 294 P C -0.743 176.541 177.300 -0.026 0.000 1.230 294 P CA -0.372 62.740 63.100 0.021 0.000 0.776 294 P CB 1.047 32.753 31.700 0.010 0.000 0.888 295 L N 4.079 125.258 121.223 -0.072 0.000 2.404 295 L HA 0.142 4.482 4.340 -0.000 0.000 0.277 295 L C 0.504 177.296 176.870 -0.131 0.000 1.184 295 L CA 0.441 55.175 54.840 -0.177 0.000 1.013 295 L CB -0.877 40.973 42.059 -0.348 0.000 1.318 295 L HN 0.389 nan 8.230 nan 0.000 0.435 296 T N 1.727 116.222 114.554 -0.099 0.000 2.856 296 T HA -0.103 4.246 4.350 -0.000 0.000 0.329 296 T C 1.308 175.954 174.700 -0.090 0.000 1.094 296 T CA 0.034 62.089 62.100 -0.076 0.000 1.112 296 T CB 0.640 69.472 68.868 -0.060 0.000 1.009 296 T HN 0.616 nan 8.240 nan 0.000 0.550 297 E N 0.454 120.613 120.200 -0.069 0.000 2.158 297 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 297 E C 1.921 178.481 176.600 -0.067 0.000 0.982 297 E CA 0.562 56.921 56.400 -0.068 0.000 0.823 297 E CB 0.142 29.812 29.700 -0.051 0.000 0.766 297 E HN 0.663 nan 8.360 nan 0.000 0.468 298 E N 0.097 120.262 120.200 -0.059 0.000 2.110 298 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 298 E C 1.909 178.471 176.600 -0.064 0.000 0.988 298 E CA 0.977 57.344 56.400 -0.054 0.000 0.804 298 E CB -0.027 29.646 29.700 -0.045 0.000 0.745 298 E HN 0.232 nan 8.360 nan 0.000 0.458 299 A N 1.252 124.025 122.820 -0.079 0.000 1.930 299 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 299 A C 1.896 179.404 177.584 -0.127 0.000 1.176 299 A CA 0.666 52.644 52.037 -0.099 0.000 0.632 299 A CB -0.051 18.882 19.000 -0.112 0.000 0.819 299 A HN 0.018 nan 8.150 nan 0.000 0.445 300 E N -0.323 119.798 120.200 -0.133 0.000 2.409 300 E HA -0.097 4.253 4.350 -0.000 0.000 0.198 300 E C 2.065 178.602 176.600 -0.105 0.000 1.024 300 E CA 1.142 57.456 56.400 -0.144 0.000 0.861 300 E CB -0.304 29.320 29.700 -0.127 0.000 0.788 300 E HN 0.597 nan 8.360 nan 0.000 0.521 301 L N 0.397 121.569 121.223 -0.085 0.000 2.249 301 L HA 0.077 4.417 4.340 -0.000 0.000 0.207 301 L C 2.499 179.330 176.870 -0.066 0.000 1.090 301 L CA 1.988 56.788 54.840 -0.067 0.000 0.802 301 L CB -1.723 40.302 42.059 -0.056 0.000 0.947 301 L HN 0.265 nan 8.230 nan 0.000 0.453 302 E N 0.093 120.251 120.200 -0.071 0.000 2.028 302 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 302 E C 2.207 178.766 176.600 -0.068 0.000 0.988 302 E CA 1.467 57.829 56.400 -0.062 0.000 0.799 302 E CB -0.814 28.850 29.700 -0.059 0.000 0.755 302 E HN 0.722 nan 8.360 nan 0.000 0.447 303 L N 0.568 121.736 121.223 -0.091 0.000 2.043 303 L HA -0.019 4.321 4.340 -0.000 0.000 0.212 303 L C 2.774 179.602 176.870 -0.071 0.000 1.075 303 L CA 2.432 57.218 54.840 -0.090 0.000 0.752 303 L CB -0.768 41.207 42.059 -0.141 0.000 0.891 303 L HN 0.395 nan 8.230 nan 0.000 0.432 304 A N -0.517 122.260 122.820 -0.071 0.000 1.851 304 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 304 A C 2.133 179.683 177.584 -0.056 0.000 1.195 304 A CA 2.068 54.071 52.037 -0.058 0.000 0.622 304 A CB -0.819 18.149 19.000 -0.054 0.000 0.831 304 A HN 0.627 nan 8.150 nan 0.000 0.444 305 E N -0.037 120.130 120.200 -0.056 0.000 2.077 305 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 305 E C 1.955 178.514 176.600 -0.067 0.000 0.989 305 E CA 1.294 57.660 56.400 -0.056 0.000 0.800 305 E CB -0.369 29.301 29.700 -0.050 0.000 0.746 305 E HN 0.735 nan 8.360 nan 0.000 0.452 306 N N 0.892 119.553 118.700 -0.066 0.000 2.006 306 N HA -0.144 4.596 4.740 -0.000 0.000 0.196 306 N C 1.884 177.333 175.510 -0.102 0.000 1.057 306 N CA 0.806 53.810 53.050 -0.078 0.000 0.853 306 N CB -0.145 38.309 38.487 -0.055 0.000 1.051 306 N HN 0.038 nan 8.380 nan 0.000 0.423 307 R N 1.021 121.475 120.500 -0.077 0.000 2.174 307 R HA -0.164 4.176 4.340 -0.000 0.000 0.253 307 R C 1.871 178.114 176.300 -0.095 0.000 1.165 307 R CA 0.998 57.054 56.100 -0.074 0.000 0.984 307 R CB -0.256 30.020 30.300 -0.040 0.000 0.873 307 R HN 0.376 nan 8.270 nan 0.000 0.456 308 E N 0.859 121.006 120.200 -0.088 0.000 2.031 308 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 308 E C 2.068 178.595 176.600 -0.122 0.000 0.994 308 E CA 1.128 57.476 56.400 -0.087 0.000 0.800 308 E CB -0.162 29.496 29.700 -0.070 0.000 0.752 308 E HN 0.348 nan 8.360 nan 0.000 0.447 309 I N 0.867 121.346 120.570 -0.152 0.000 2.179 309 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 309 I C 2.459 178.350 176.117 -0.376 0.000 1.088 309 I CA 0.916 62.092 61.300 -0.208 0.000 1.357 309 I CB -0.488 37.395 38.000 -0.193 0.000 1.051 309 I HN 0.055 nan 8.210 nan 0.000 0.409 310 L N 1.143 122.086 121.223 -0.466 0.000 2.349 310 L HA -0.249 4.091 4.340 -0.000 0.000 0.220 310 L C 3.082 179.776 176.870 -0.294 0.000 1.130 310 L CA 1.437 55.923 54.840 -0.591 0.000 0.791 310 L CB -1.111 40.737 42.059 -0.352 0.000 0.918 310 L HN 0.329 nan 8.230 nan 0.000 0.444 311 K N 0.878 121.168 120.400 -0.183 0.000 1.984 311 K HA -0.032 4.288 4.320 -0.000 0.000 0.209 311 K C 1.277 177.842 176.600 -0.058 0.000 1.046 311 K CA 1.510 57.743 56.287 -0.091 0.000 0.934 311 K CB -1.236 31.221 32.500 -0.070 0.000 0.717 311 K HN 0.448 nan 8.250 nan 0.000 0.438 312 E N 3.224 123.388 120.200 -0.059 0.000 2.052 312 E HA 0.374 4.724 4.350 -0.000 0.000 0.283 312 E C -2.202 174.430 176.600 0.053 0.000 1.071 312 E CA -2.129 54.263 56.400 -0.012 0.000 0.851 312 E CB -0.309 29.379 29.700 -0.020 0.000 1.066 312 E HN 0.583 nan 8.360 nan 0.000 0.396 313 P HA 0.239 nan 4.420 nan 0.000 0.270 313 P C 0.235 177.616 177.300 0.134 0.000 1.223 313 P CA 0.099 63.303 63.100 0.173 0.000 0.785 313 P CB 1.273 33.031 31.700 0.097 0.000 0.923 314 V N -1.688 118.293 119.914 0.112 0.000 3.426 314 V HA 0.759 4.879 4.120 -0.000 0.000 0.305 314 V C -0.608 175.482 176.094 -0.006 0.000 1.350 314 V CA -0.614 61.715 62.300 0.048 0.000 1.013 314 V CB 1.577 33.379 31.823 -0.035 0.000 1.191 314 V HN 0.970 nan 8.190 nan 0.000 0.479 315 H N -0.858 118.008 119.070 -0.340 0.000 3.094 315 H HA 0.705 5.261 4.556 -0.000 0.000 0.335 315 H C -0.584 174.383 175.328 -0.602 0.000 1.254 315 H CA -0.211 55.547 56.048 -0.484 0.000 1.240 315 H CB 1.107 30.644 29.762 -0.374 0.000 1.936 315 H HN 1.182 nan 8.280 nan 0.000 0.536 316 G N 0.143 108.245 108.800 -1.163 0.000 2.552 316 G HA2 0.554 4.514 3.960 -0.000 0.000 0.324 316 G HA3 0.554 4.514 3.960 -0.000 0.000 0.324 316 G C -1.041 173.459 174.900 -0.667 0.000 1.217 316 G CA -0.403 44.044 45.100 -1.089 0.000 0.989 316 G HN 0.577 nan 8.290 nan 0.000 0.490 317 V N -0.898 118.988 119.914 -0.047 0.000 3.074 317 V HA 0.611 4.731 4.120 -0.000 0.000 0.314 317 V C -0.803 175.671 176.094 0.633 0.000 1.117 317 V CA -1.177 61.233 62.300 0.185 0.000 1.014 317 V CB 1.702 33.561 31.823 0.060 0.000 1.057 317 V HN 0.698 nan 8.190 nan 0.000 0.438 318 Y N 2.043 122.548 120.300 0.342 0.000 2.281 318 Y HA 0.226 4.776 4.550 -0.000 0.000 0.337 318 Y C -0.273 175.799 175.900 0.287 0.000 1.304 318 Y CA -0.402 57.889 58.100 0.319 0.000 1.465 318 Y CB 0.761 39.351 38.460 0.216 0.000 1.350 318 Y HN 0.717 nan 8.280 nan 0.000 0.575 319 Y N 1.729 122.239 120.300 0.351 0.000 2.310 319 Y HA 0.138 4.688 4.550 -0.000 0.000 0.326 319 Y C -0.547 175.435 175.900 0.136 0.000 1.151 319 Y CA -0.860 57.370 58.100 0.216 0.000 1.195 319 Y CB 0.898 39.552 38.460 0.323 0.000 1.210 319 Y HN 0.462 nan 8.280 nan 0.000 0.483 320 D N 8.061 127.987 120.400 -0.791 0.000 2.462 320 D HA 0.269 4.909 4.640 -0.000 0.000 0.245 320 D C -2.232 173.455 176.300 -1.021 0.000 1.122 320 D CA -2.215 51.397 54.000 -0.647 0.000 0.864 320 D CB 2.211 42.823 40.800 -0.312 0.000 1.098 320 D HN 0.351 nan 8.370 nan 0.000 0.541 321 P HA -0.278 nan 4.420 nan 0.000 0.214 321 P C 1.593 178.788 177.300 -0.175 0.000 1.164 321 P CA 2.393 65.329 63.100 -0.273 0.000 0.942 321 P CB 0.076 31.781 31.700 0.008 0.000 0.791 322 S N -0.334 115.285 115.700 -0.136 0.000 2.368 322 S HA -0.212 4.258 4.470 -0.000 0.000 0.226 322 S C 0.851 175.379 174.600 -0.119 0.000 1.044 322 S CA 1.332 59.475 58.200 -0.094 0.000 1.062 322 S CB -1.458 61.694 63.200 -0.079 0.000 0.931 322 S HN 0.175 nan 8.310 nan 0.000 0.440 323 K N 3.726 124.018 120.400 -0.179 0.000 2.237 323 K HA 0.130 4.450 4.320 -0.000 0.000 0.283 323 K C -0.392 176.092 176.600 -0.192 0.000 1.080 323 K CA 0.069 56.247 56.287 -0.182 0.000 0.965 323 K CB -0.211 32.168 32.500 -0.202 0.000 1.098 323 K HN 0.561 nan 8.250 nan 0.000 0.434 324 D N 1.581 121.899 120.400 -0.136 0.000 2.341 324 D HA -0.100 4.540 4.640 -0.000 0.000 0.233 324 D C -0.135 176.058 176.300 -0.177 0.000 1.270 324 D CA -0.186 53.745 54.000 -0.114 0.000 0.883 324 D CB 0.391 41.139 40.800 -0.088 0.000 1.207 324 D HN 0.013 nan 8.370 nan 0.000 0.471 325 L N -0.310 120.806 121.223 -0.179 0.000 2.322 325 L HA 0.504 4.844 4.340 -0.000 0.000 0.279 325 L C -0.176 176.529 176.870 -0.275 0.000 1.036 325 L CA -0.568 54.108 54.840 -0.272 0.000 0.807 325 L CB 1.188 43.033 42.059 -0.357 0.000 1.226 325 L HN 0.450 nan 8.230 nan 0.000 0.433 326 I N 2.014 122.407 120.570 -0.294 0.000 2.545 326 I HA 0.712 4.882 4.170 -0.000 0.000 0.292 326 I C -0.458 175.603 176.117 -0.094 0.000 1.040 326 I CA -0.787 60.369 61.300 -0.240 0.000 1.068 326 I CB 2.073 39.863 38.000 -0.349 0.000 1.251 326 I HN 0.627 nan 8.210 nan 0.000 0.424 327 A N 4.827 127.494 122.820 -0.256 0.000 2.332 327 A HA 0.571 4.891 4.320 -0.000 0.000 0.300 327 A C -0.790 176.786 177.584 -0.014 0.000 1.153 327 A CA -0.472 51.422 52.037 -0.239 0.000 0.764 327 A CB 1.073 19.586 19.000 -0.811 0.000 1.174 327 A HN 0.761 nan 8.150 nan 0.000 0.467 328 E N 2.923 123.205 120.200 0.136 0.000 2.133 328 E HA 0.460 4.810 4.350 -0.000 0.000 0.274 328 E C -0.714 176.019 176.600 0.222 0.000 0.930 328 E CA -0.565 55.937 56.400 0.171 0.000 0.770 328 E CB 0.848 30.602 29.700 0.091 0.000 1.104 328 E HN 0.582 nan 8.360 nan 0.000 0.403 329 I N 3.303 124.029 120.570 0.259 0.000 2.488 329 I HA 0.262 4.432 4.170 -0.000 0.000 0.299 329 I C 0.106 176.391 176.117 0.280 0.000 0.984 329 I CA -0.686 60.798 61.300 0.306 0.000 1.250 329 I CB 1.233 39.401 38.000 0.281 0.000 1.389 329 I HN 0.482 nan 8.210 nan 0.000 0.488 330 Q N 3.740 123.729 119.800 0.314 0.000 2.413 330 Q HA 0.474 4.814 4.340 -0.000 0.000 0.276 330 Q C -0.613 175.493 176.000 0.178 0.000 1.099 330 Q CA -0.977 54.947 55.803 0.202 0.000 0.814 330 Q CB 2.739 31.551 28.738 0.124 0.000 1.379 330 Q HN 0.324 nan 8.270 nan 0.000 0.436 331 K N 1.603 121.987 120.400 -0.027 0.000 2.130 331 K HA 0.376 4.696 4.320 -0.000 0.000 0.268 331 K C -0.385 176.079 176.600 -0.227 0.000 0.983 331 K CA -0.134 55.947 56.287 -0.343 0.000 0.893 331 K CB 1.133 33.413 32.500 -0.367 0.000 1.066 331 K HN 0.544 nan 8.250 nan 0.000 0.450 332 Q N 0.612 120.229 119.800 -0.305 0.000 3.158 332 Q HA 0.404 4.744 4.340 -0.000 0.000 0.235 332 Q C 0.492 176.394 176.000 -0.164 0.000 1.110 332 Q CA -0.689 55.021 55.803 -0.156 0.000 0.546 332 Q CB -0.482 28.212 28.738 -0.073 0.000 4.477 332 Q HN 0.760 nan 8.270 nan 0.000 0.307 333 G N 0.585 109.321 108.800 -0.107 0.000 2.611 333 G HA2 0.133 4.092 3.960 -0.000 0.000 0.273 333 G HA3 0.133 4.092 3.960 -0.000 0.000 0.273 333 G C -0.451 174.388 174.900 -0.103 0.000 1.305 333 G CA -0.138 44.910 45.100 -0.086 0.000 1.010 333 G HN 0.192 nan 8.290 nan 0.000 0.509 334 Q N -0.183 119.576 119.800 -0.068 0.000 2.301 334 Q HA 0.433 4.773 4.340 -0.000 0.000 0.262 334 Q C 1.075 177.071 176.000 -0.006 0.000 1.168 334 Q CA 1.597 57.371 55.803 -0.048 0.000 0.908 334 Q CB 0.229 28.946 28.738 -0.035 0.000 1.348 334 Q HN 1.141 nan 8.270 nan 0.000 0.441 335 G N 2.588 111.403 108.800 0.024 0.000 2.339 335 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.209 335 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.209 335 G C 0.095 175.131 174.900 0.226 0.000 1.015 335 G CA -0.286 44.893 45.100 0.133 0.000 0.635 335 G HN 0.525 nan 8.290 nan 0.000 0.499 336 Q N -0.484 119.375 119.800 0.098 0.000 2.306 336 Q HA 0.564 4.904 4.340 -0.000 0.000 0.241 336 Q C -0.691 175.399 176.000 0.151 0.000 0.948 336 Q CA -0.145 55.763 55.803 0.174 0.000 0.886 336 Q CB 0.874 29.654 28.738 0.070 0.000 1.227 336 Q HN 0.445 nan 8.270 nan 0.000 0.457 337 W N -0.577 120.806 121.300 0.138 0.000 3.042 337 W HA 0.482 5.142 4.660 -0.000 0.000 0.342 337 W C -0.883 175.743 176.519 0.179 0.000 1.240 337 W CA -0.344 57.105 57.345 0.174 0.000 1.166 337 W CB 1.565 31.175 29.460 0.250 0.000 1.469 337 W HN 0.365 nan 8.180 nan 0.000 0.579 338 T N 1.022 115.838 114.554 0.436 0.000 2.883 338 T HA 0.661 5.011 4.350 -0.000 0.000 0.301 338 T C -1.784 173.105 174.700 0.315 0.000 1.158 338 T CA -0.812 61.435 62.100 0.245 0.000 1.007 338 T CB 1.920 70.841 68.868 0.089 0.000 1.186 338 T HN 0.318 nan 8.240 nan 0.000 0.499 339 Y N -0.581 119.795 120.300 0.127 0.000 2.581 339 Y HA 0.799 5.349 4.550 -0.000 0.000 0.337 339 Y C -1.562 174.362 175.900 0.039 0.000 1.108 339 Y CA -1.393 56.763 58.100 0.093 0.000 1.033 339 Y CB 1.347 39.876 38.460 0.114 0.000 1.318 339 Y HN 0.354 nan 8.280 nan 0.000 0.459 340 Q N 3.048 122.926 119.800 0.130 0.000 2.309 340 Q HA 0.575 4.915 4.340 -0.000 0.000 0.270 340 Q C -1.335 174.701 176.000 0.059 0.000 1.023 340 Q CA -0.437 55.363 55.803 -0.006 0.000 0.758 340 Q CB 2.568 31.188 28.738 -0.197 0.000 1.247 340 Q HN 0.752 nan 8.270 nan 0.000 0.455 341 I N 4.580 125.252 120.570 0.171 0.000 2.331 341 I HA 0.443 4.613 4.170 -0.000 0.000 0.292 341 I C -0.759 175.498 176.117 0.233 0.000 0.998 341 I CA -0.855 60.553 61.300 0.181 0.000 1.267 341 I CB 0.209 38.312 38.000 0.171 0.000 1.386 341 I HN 0.569 nan 8.210 nan 0.000 0.476 342 Y N 3.795 124.033 120.300 -0.102 0.000 2.744 342 Y HA 0.496 5.046 4.550 -0.000 0.000 0.330 342 Y C -0.316 175.495 175.900 -0.147 0.000 1.263 342 Y CA -1.656 56.389 58.100 -0.093 0.000 1.065 342 Y CB 0.780 39.218 38.460 -0.036 0.000 1.306 342 Y HN 0.522 nan 8.280 nan 0.000 0.459 343 Q N -0.487 119.194 119.800 -0.199 0.000 2.534 343 Q HA 0.229 4.569 4.340 -0.000 0.000 0.252 343 Q C -0.408 175.387 176.000 -0.342 0.000 0.850 343 Q CA 0.010 55.622 55.803 -0.318 0.000 0.974 343 Q CB 1.189 29.794 28.738 -0.220 0.000 1.205 343 Q HN 0.641 nan 8.270 nan 0.000 0.593 344 E N 0.952 121.030 120.200 -0.203 0.000 2.254 344 E HA 0.144 4.494 4.350 -0.000 0.000 0.258 344 E C -1.785 174.739 176.600 -0.126 0.000 1.033 344 E CA -2.185 54.123 56.400 -0.153 0.000 0.893 344 E CB 0.716 30.379 29.700 -0.061 0.000 1.204 344 E HN -0.192 nan 8.360 nan 0.000 0.425 345 P HA -0.195 nan 4.420 nan 0.000 0.214 345 P C 0.154 177.406 177.300 -0.081 0.000 1.164 345 P CA 1.780 64.787 63.100 -0.154 0.000 0.942 345 P CB 0.064 31.677 31.700 -0.145 0.000 0.791 346 F N -1.239 118.796 119.950 0.142 0.000 2.749 346 F HA 0.288 4.815 4.527 -0.000 0.000 0.380 346 F C 0.473 176.293 175.800 0.034 0.000 1.365 346 F CA -0.777 57.277 58.000 0.090 0.000 1.186 346 F CB 0.294 39.305 39.000 0.018 0.000 1.080 346 F HN -0.316 nan 8.300 nan 0.000 0.513 347 K N 1.346 121.897 120.400 0.251 0.000 2.357 347 K HA 0.244 4.564 4.320 -0.000 0.000 0.251 347 K C -0.173 176.489 176.600 0.103 0.000 1.069 347 K CA -0.350 55.994 56.287 0.095 0.000 0.994 347 K CB 0.413 32.948 32.500 0.060 0.000 1.411 347 K HN 0.024 nan 8.250 nan 0.000 0.450 348 N N 2.652 121.353 118.700 0.001 0.000 2.454 348 N HA 0.017 4.757 4.740 -0.000 0.000 0.260 348 N C 1.126 176.672 175.510 0.059 0.000 1.218 348 N CA 0.161 53.215 53.050 0.007 0.000 0.904 348 N CB 0.915 39.341 38.487 -0.102 0.000 1.065 348 N HN 0.416 nan 8.380 nan 0.000 0.462 349 L N 1.707 123.038 121.223 0.181 0.000 2.189 349 L HA 0.176 4.516 4.340 -0.000 0.000 0.199 349 L C 0.912 178.044 176.870 0.437 0.000 1.074 349 L CA 0.751 55.794 54.840 0.337 0.000 0.783 349 L CB 0.125 42.370 42.059 0.310 0.000 0.955 349 L HN 0.489 nan 8.230 nan 0.000 0.460 350 K N -0.791 119.803 120.400 0.323 0.000 2.587 350 K HA 0.318 4.638 4.320 -0.000 0.000 0.276 350 K C -1.346 175.351 176.600 0.161 0.000 0.956 350 K CA -0.417 56.043 56.287 0.289 0.000 0.857 350 K CB 2.158 34.822 32.500 0.273 0.000 1.431 350 K HN 0.020 nan 8.250 nan 0.000 0.420 351 T N -1.039 113.542 114.554 0.045 0.000 2.901 351 T HA 0.908 5.258 4.350 -0.000 0.000 0.293 351 T C -0.108 174.383 174.700 -0.349 0.000 1.084 351 T CA -0.463 61.547 62.100 -0.150 0.000 1.008 351 T CB 2.038 70.818 68.868 -0.146 0.000 1.170 351 T HN 0.747 nan 8.240 nan 0.000 0.509 352 G N 0.451 108.694 108.800 -0.928 0.000 2.554 352 G HA2 0.650 4.610 3.960 -0.000 0.000 0.306 352 G HA3 0.650 4.610 3.960 -0.000 0.000 0.306 352 G C -2.120 172.319 174.900 -0.768 0.000 1.320 352 G CA -1.046 43.553 45.100 -0.835 0.000 0.800 352 G HN 0.991 nan 8.290 nan 0.000 0.481 353 K N -1.298 119.028 120.400 -0.123 0.000 2.498 353 K HA 0.717 5.037 4.320 -0.000 0.000 0.254 353 K C -1.949 174.900 176.600 0.415 0.000 0.933 353 K CA -1.017 55.376 56.287 0.177 0.000 0.806 353 K CB 2.109 34.673 32.500 0.107 0.000 1.301 353 K HN 0.603 nan 8.250 nan 0.000 0.432 354 Y N 1.292 121.787 120.300 0.325 0.000 2.377 354 Y HA 0.642 5.192 4.550 -0.000 0.000 0.339 354 Y C 0.039 176.084 175.900 0.243 0.000 1.011 354 Y CA -0.367 57.867 58.100 0.224 0.000 1.093 354 Y CB 1.997 40.512 38.460 0.092 0.000 1.201 354 Y HN 0.875 nan 8.280 nan 0.000 0.455 355 A N 5.043 127.688 122.820 -0.291 0.000 2.027 355 A HA 0.231 4.551 4.320 -0.000 0.000 0.196 355 A C 0.589 177.980 177.584 -0.322 0.000 1.573 355 A CA -0.397 51.539 52.037 -0.169 0.000 1.097 355 A CB -0.090 18.889 19.000 -0.035 0.000 1.196 355 A HN 0.655 nan 8.150 nan 0.000 0.462 356 R N 1.011 121.197 120.500 -0.523 0.000 2.504 356 R HA 0.122 4.462 4.340 -0.000 0.000 0.291 356 R C -0.058 176.072 176.300 -0.283 0.000 0.974 356 R CA 0.379 56.273 56.100 -0.343 0.000 1.077 356 R CB 0.043 30.182 30.300 -0.269 0.000 0.926 356 R HN 0.458 nan 8.270 nan 0.000 0.407 357 M N 6.181 125.727 119.600 -0.090 0.000 2.055 357 M HA 0.245 4.725 4.480 -0.000 0.000 0.346 357 M C -0.763 175.552 176.300 0.026 0.000 1.074 357 M CA -0.671 54.632 55.300 0.004 0.000 1.009 357 M CB 0.691 33.311 32.600 0.035 0.000 1.423 357 M HN 0.459 nan 8.290 nan 0.000 0.410 358 R N 3.745 124.279 120.500 0.058 0.000 2.343 358 R HA 0.441 4.781 4.340 -0.000 0.000 0.326 358 R C 0.590 176.927 176.300 0.061 0.000 1.055 358 R CA 0.683 56.821 56.100 0.062 0.000 0.961 358 R CB -0.718 29.634 30.300 0.086 0.000 0.978 358 R HN 0.997 nan 8.270 nan 0.000 0.443 359 G N 1.309 110.130 108.800 0.036 0.000 2.660 359 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.247 359 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.247 359 G C 0.167 175.062 174.900 -0.009 0.000 1.328 359 G CA -0.164 44.946 45.100 0.016 0.000 0.884 359 G HN 0.572 nan 8.290 nan 0.000 0.531 360 A N -1.700 121.068 122.820 -0.086 0.000 1.963 360 A HA 0.468 4.788 4.320 -0.000 0.000 0.211 360 A C 0.938 178.520 177.584 -0.003 0.000 1.380 360 A CA 1.230 53.194 52.037 -0.122 0.000 0.690 360 A CB -0.153 18.643 19.000 -0.339 0.000 1.060 360 A HN 1.079 nan 8.150 nan 0.000 0.498 361 H N 1.038 120.168 119.070 0.101 0.000 3.109 361 H HA 0.439 4.995 4.556 -0.000 0.000 0.266 361 H C 0.033 175.426 175.328 0.109 0.000 1.334 361 H CA 0.554 56.662 56.048 0.099 0.000 1.456 361 H CB -0.172 29.655 29.762 0.109 0.000 1.587 361 H HN 0.352 nan 8.280 nan 0.000 0.500 362 T N 1.828 116.499 114.554 0.194 0.000 2.762 362 T HA 0.457 4.807 4.350 -0.000 0.000 0.272 362 T C 0.389 175.162 174.700 0.122 0.000 0.982 362 T CA -0.516 61.675 62.100 0.152 0.000 1.013 362 T CB 1.518 70.470 68.868 0.139 0.000 1.309 362 T HN 0.711 nan 8.240 nan 0.000 0.572 363 N N -0.107 118.648 118.700 0.092 0.000 3.628 363 N HA 0.435 5.175 4.740 -0.000 0.000 0.321 363 N C -0.469 175.107 175.510 0.111 0.000 1.482 363 N CA -0.325 52.762 53.050 0.062 0.000 0.637 363 N CB 0.032 38.477 38.487 -0.071 0.000 3.164 363 N HN 0.450 nan 8.380 nan 0.000 0.551 364 D N -1.609 118.830 120.400 0.065 0.000 2.489 364 D HA 0.184 4.824 4.640 -0.000 0.000 0.231 364 D C 1.552 177.937 176.300 0.143 0.000 1.114 364 D CA 0.362 54.475 54.000 0.189 0.000 0.842 364 D CB 0.883 41.804 40.800 0.202 0.000 1.133 364 D HN 0.309 nan 8.370 nan 0.000 0.506 365 V N -0.443 119.417 119.914 -0.091 0.000 2.346 365 V HA -0.090 4.030 4.120 -0.000 0.000 0.244 365 V C 2.114 178.223 176.094 0.025 0.000 1.037 365 V CA 0.908 63.151 62.300 -0.095 0.000 1.029 365 V CB -0.658 30.917 31.823 -0.413 0.000 0.663 365 V HN -0.046 nan 8.190 nan 0.000 0.454 366 K N 0.317 120.756 120.400 0.065 0.000 2.015 366 K HA -0.287 4.033 4.320 -0.000 0.000 0.220 366 K C 2.469 179.090 176.600 0.033 0.000 1.055 366 K CA 2.652 59.030 56.287 0.151 0.000 0.951 366 K CB -0.484 32.118 32.500 0.170 0.000 0.725 366 K HN 0.586 nan 8.250 nan 0.000 0.449 367 Q N 0.501 120.343 119.800 0.070 0.000 2.062 367 Q HA -0.239 4.101 4.340 -0.000 0.000 0.209 367 Q C 2.324 177.996 176.000 -0.547 0.000 0.996 367 Q CA 1.528 57.308 55.803 -0.039 0.000 0.859 367 Q CB -0.587 28.365 28.738 0.356 0.000 0.920 367 Q HN 0.277 nan 8.270 nan 0.000 0.415 368 L N 1.034 121.926 121.223 -0.552 0.000 2.012 368 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 368 L C 2.262 178.768 176.870 -0.607 0.000 1.073 368 L CA 2.097 56.486 54.840 -0.751 0.000 0.748 368 L CB -0.971 40.909 42.059 -0.298 0.000 0.891 368 L HN 0.169 nan 8.230 nan 0.000 0.431 369 T N -0.301 114.023 114.554 -0.384 0.000 2.544 369 T HA -0.287 4.063 4.350 -0.000 0.000 0.264 369 T C 1.654 176.100 174.700 -0.422 0.000 1.096 369 T CA 2.093 63.981 62.100 -0.353 0.000 1.181 369 T CB -0.393 68.435 68.868 -0.066 0.000 0.864 369 T HN 0.474 nan 8.240 nan 0.000 0.415 370 E N 0.945 120.946 120.200 -0.331 0.000 2.114 370 E HA -0.200 4.150 4.350 -0.000 0.000 0.199 370 E C 2.458 178.588 176.600 -0.783 0.000 1.008 370 E CA 1.191 57.362 56.400 -0.381 0.000 0.810 370 E CB -0.333 29.284 29.700 -0.139 0.000 0.739 370 E HN 0.511 nan 8.360 nan 0.000 0.456 371 A N 0.751 122.969 122.820 -1.002 0.000 1.865 371 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 371 A C 2.547 179.672 177.584 -0.765 0.000 1.191 371 A CA 1.737 53.083 52.037 -1.152 0.000 0.623 371 A CB -0.843 17.535 19.000 -1.038 0.000 0.826 371 A HN 0.141 nan 8.150 nan 0.000 0.444 372 V N -0.458 119.023 119.914 -0.721 0.000 2.261 372 V HA -0.347 3.773 4.120 -0.000 0.000 0.246 372 V C 2.647 178.415 176.094 -0.544 0.000 1.047 372 V CA 2.383 64.195 62.300 -0.813 0.000 1.015 372 V CB -1.142 29.978 31.823 -1.171 0.000 0.642 372 V HN 0.649 nan 8.190 nan 0.000 0.446 373 Q N -0.063 119.452 119.800 -0.475 0.000 2.047 373 Q HA -0.319 4.021 4.340 -0.000 0.000 0.211 373 Q C 2.345 178.210 176.000 -0.225 0.000 1.005 373 Q CA 2.584 58.212 55.803 -0.292 0.000 0.866 373 Q CB -0.261 28.335 28.738 -0.235 0.000 0.938 373 Q HN 0.442 nan 8.270 nan 0.000 0.414 374 K N 0.048 120.268 120.400 -0.301 0.000 2.009 374 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 374 K C 1.776 178.267 176.600 -0.181 0.000 1.049 374 K CA 1.362 57.517 56.287 -0.220 0.000 0.929 374 K CB -0.453 31.879 32.500 -0.281 0.000 0.714 374 K HN 0.192 nan 8.250 nan 0.000 0.440 375 I N 1.184 121.601 120.570 -0.256 0.000 2.145 375 I HA -0.333 3.837 4.170 -0.000 0.000 0.244 375 I C 1.852 177.984 176.117 0.024 0.000 1.075 375 I CA 1.818 63.012 61.300 -0.177 0.000 1.332 375 I CB -1.894 36.077 38.000 -0.048 0.000 1.033 375 I HN 0.279 nan 8.210 nan 0.000 0.410 376 T N 0.534 115.153 114.554 0.108 0.000 2.502 376 T HA -0.230 4.120 4.350 -0.000 0.000 0.258 376 T C 1.916 176.656 174.700 0.066 0.000 1.146 376 T CA 2.502 64.682 62.100 0.134 0.000 1.208 376 T CB -1.017 67.906 68.868 0.092 0.000 0.864 376 T HN 0.287 nan 8.240 nan 0.000 0.402 377 T N 1.457 116.025 114.554 0.023 0.000 2.602 377 T HA -0.280 4.070 4.350 -0.000 0.000 0.264 377 T C 1.856 176.561 174.700 0.008 0.000 1.085 377 T CA 2.126 64.234 62.100 0.013 0.000 1.164 377 T CB -0.671 68.194 68.868 -0.005 0.000 0.860 377 T HN 0.570 nan 8.240 nan 0.000 0.442 378 E N -0.004 120.194 120.200 -0.004 0.000 2.273 378 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 378 E C 2.182 178.768 176.600 -0.023 0.000 1.002 378 E CA 1.243 57.633 56.400 -0.018 0.000 0.828 378 E CB -0.017 29.679 29.700 -0.006 0.000 0.747 378 E HN 0.447 nan 8.360 nan 0.000 0.491 379 S N 0.090 115.841 115.700 0.086 0.000 2.387 379 S HA 0.007 4.477 4.470 -0.000 0.000 0.221 379 S C 1.909 176.601 174.600 0.153 0.000 1.041 379 S CA 0.263 58.623 58.200 0.268 0.000 0.959 379 S CB -0.074 63.329 63.200 0.338 0.000 0.843 379 S HN 0.253 nan 8.310 nan 0.000 0.488 380 I N 1.678 122.302 120.570 0.091 0.000 2.185 380 I HA -0.208 3.962 4.170 -0.000 0.000 0.246 380 I C 2.059 178.169 176.117 -0.012 0.000 1.088 380 I CA 1.109 62.441 61.300 0.053 0.000 1.347 380 I CB -0.285 37.739 38.000 0.040 0.000 1.041 380 I HN 0.145 nan 8.210 nan 0.000 0.415 381 V N 0.700 120.580 119.914 -0.056 0.000 2.515 381 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 381 V C 2.029 177.994 176.094 -0.215 0.000 1.058 381 V CA 1.672 63.910 62.300 -0.104 0.000 1.064 381 V CB -0.250 31.518 31.823 -0.091 0.000 0.675 381 V HN 0.363 nan 8.190 nan 0.000 0.461 382 I N -2.213 118.125 120.570 -0.386 0.000 2.731 382 I HA -0.032 4.138 4.170 -0.000 0.000 0.260 382 I C 1.833 177.452 176.117 -0.830 0.000 1.138 382 I CA 0.939 61.769 61.300 -0.784 0.000 1.461 382 I CB -0.007 37.082 38.000 -1.517 0.000 1.128 382 I HN 0.362 nan 8.210 nan 0.000 0.438 383 W N 0.280 121.460 121.300 -0.200 0.000 2.725 383 W HA 0.375 5.034 4.660 -0.000 0.000 0.336 383 W C 1.431 177.834 176.519 -0.194 0.000 1.012 383 W CA 0.480 57.625 57.345 -0.333 0.000 1.566 383 W CB -0.016 29.163 29.460 -0.470 0.000 1.068 383 W HN 0.266 nan 8.180 nan 0.000 0.546 384 G N 2.189 111.021 108.800 0.053 0.000 2.166 384 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 384 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 384 G C 0.256 175.203 174.900 0.079 0.000 0.986 384 G CA 1.074 46.201 45.100 0.045 0.000 0.683 384 G HN 0.184 nan 8.290 nan 0.000 0.527 385 K N 0.233 120.707 120.400 0.123 0.000 2.385 385 K HA 0.574 4.894 4.320 -0.000 0.000 0.248 385 K C -0.373 176.294 176.600 0.111 0.000 0.955 385 K CA -0.353 55.999 56.287 0.108 0.000 0.816 385 K CB 1.322 33.889 32.500 0.111 0.000 1.250 385 K HN 0.031 nan 8.250 nan 0.000 0.434 386 T N 4.807 119.415 114.554 0.090 0.000 2.817 386 T HA 0.310 4.660 4.350 -0.000 0.000 0.293 386 T C -2.215 172.515 174.700 0.049 0.000 0.964 386 T CA -1.092 61.066 62.100 0.096 0.000 1.085 386 T CB 1.151 70.090 68.868 0.119 0.000 0.921 386 T HN 0.447 nan 8.240 nan 0.000 0.502 387 P HA 0.325 nan 4.420 nan 0.000 0.279 387 P C -0.763 176.441 177.300 -0.160 0.000 1.252 387 P CA -0.836 62.160 63.100 -0.173 0.000 0.811 387 P CB 1.159 32.639 31.700 -0.366 0.000 1.035 388 K N 1.727 122.022 120.400 -0.175 0.000 2.201 388 K HA 0.366 4.686 4.320 -0.000 0.000 0.278 388 K C -0.942 175.580 176.600 -0.129 0.000 1.027 388 K CA -0.434 55.825 56.287 -0.046 0.000 0.909 388 K CB 0.194 32.667 32.500 -0.044 0.000 1.062 388 K HN 0.269 nan 8.250 nan 0.000 0.465 389 F N 2.463 122.440 119.950 0.045 0.000 2.432 389 F HA 0.386 4.913 4.527 -0.000 0.000 0.329 389 F C 0.240 176.133 175.800 0.156 0.000 1.076 389 F CA -0.553 57.488 58.000 0.068 0.000 1.018 389 F CB 1.686 40.676 39.000 -0.018 0.000 1.201 389 F HN 0.257 nan 8.300 nan 0.000 0.489 390 K N 4.012 124.619 120.400 0.344 0.000 2.559 390 K HA 0.537 4.857 4.320 -0.000 0.000 0.249 390 K C -1.528 175.248 176.600 0.293 0.000 0.958 390 K CA -0.337 56.117 56.287 0.278 0.000 0.901 390 K CB 1.325 33.926 32.500 0.169 0.000 1.124 390 K HN 0.469 nan 8.250 nan 0.000 0.437 391 L N 3.091 124.542 121.223 0.381 0.000 2.346 391 L HA 0.506 4.846 4.340 -0.000 0.000 0.274 391 L C -2.385 174.722 176.870 0.395 0.000 1.007 391 L CA -2.633 52.376 54.840 0.282 0.000 0.818 391 L CB 1.876 43.940 42.059 0.008 0.000 1.284 391 L HN 0.259 nan 8.230 nan 0.000 0.424 392 P HA 0.285 nan 4.420 nan 0.000 0.241 392 P C -0.828 176.720 177.300 0.414 0.000 1.760 392 P CA 0.455 63.794 63.100 0.399 0.000 1.081 392 P CB -0.160 31.685 31.700 0.242 0.000 1.975 393 I N -0.215 120.693 120.570 0.563 0.000 2.739 393 I HA 0.151 4.321 4.170 -0.000 0.000 0.287 393 I C -1.472 174.665 176.117 0.032 0.000 1.558 393 I CA -0.618 60.792 61.300 0.184 0.000 1.050 393 I CB 1.710 39.758 38.000 0.080 0.000 1.432 393 I HN -0.081 nan 8.210 nan 0.000 0.432 394 Q N 6.364 125.924 119.800 -0.400 0.000 2.288 394 Q HA 0.309 4.649 4.340 -0.000 0.000 0.254 394 Q C 0.615 176.642 176.000 0.046 0.000 0.932 394 Q CA -0.602 54.880 55.803 -0.535 0.000 0.902 394 Q CB 1.702 30.068 28.738 -0.621 0.000 1.203 394 Q HN 0.575 nan 8.270 nan 0.000 0.415 395 K N 1.951 122.419 120.400 0.112 0.000 2.097 395 K HA -0.319 4.001 4.320 -0.000 0.000 0.214 395 K C 1.450 178.215 176.600 0.274 0.000 1.052 395 K CA 2.025 58.476 56.287 0.273 0.000 0.932 395 K CB 0.003 32.552 32.500 0.081 0.000 0.716 395 K HN 0.609 nan 8.250 nan 0.000 0.455 396 E N 0.088 120.350 120.200 0.104 0.000 2.021 396 E HA -0.210 4.140 4.350 -0.000 0.000 0.200 396 E C 2.181 178.842 176.600 0.102 0.000 1.015 396 E CA 2.128 58.568 56.400 0.067 0.000 0.824 396 E CB -0.455 29.240 29.700 -0.008 0.000 0.762 396 E HN 0.426 nan 8.360 nan 0.000 0.454 397 T N 0.954 115.559 114.554 0.085 0.000 2.653 397 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 397 T C 1.399 176.255 174.700 0.260 0.000 1.035 397 T CA 1.539 63.694 62.100 0.093 0.000 1.154 397 T CB -0.764 68.122 68.868 0.030 0.000 0.862 397 T HN 0.432 nan 8.240 nan 0.000 0.441 398 W N 1.985 123.398 121.300 0.188 0.000 2.348 398 W HA -0.182 4.478 4.660 -0.000 0.000 0.324 398 W C 2.220 178.997 176.519 0.430 0.000 1.209 398 W CA 1.385 58.942 57.345 0.354 0.000 1.275 398 W CB -0.324 29.391 29.460 0.425 0.000 1.175 398 W HN 0.315 nan 8.180 nan 0.000 0.461 399 E N -0.555 119.805 120.200 0.267 0.000 2.236 399 E HA -0.287 4.063 4.350 -0.000 0.000 0.205 399 E C 1.924 178.255 176.600 -0.448 0.000 1.028 399 E CA 2.629 58.965 56.400 -0.106 0.000 0.827 399 E CB -0.235 29.490 29.700 0.042 0.000 0.735 399 E HN 0.299 nan 8.360 nan 0.000 0.470 400 T N -0.453 114.002 114.554 -0.166 0.000 2.894 400 T HA -0.127 4.223 4.350 -0.000 0.000 0.258 400 T C 1.158 175.812 174.700 -0.077 0.000 1.043 400 T CA 0.571 62.581 62.100 -0.148 0.000 1.141 400 T CB -0.405 68.441 68.868 -0.036 0.000 0.873 400 T HN 0.420 nan 8.240 nan 0.000 0.449 401 W N 2.015 123.180 121.300 -0.224 0.000 2.277 401 W HA -0.253 4.407 4.660 -0.000 0.000 0.330 401 W C 2.427 178.841 176.519 -0.174 0.000 1.263 401 W CA 1.427 58.673 57.345 -0.165 0.000 1.211 401 W CB -0.273 29.171 29.460 -0.027 0.000 1.167 401 W HN 0.432 nan 8.180 nan 0.000 0.459 402 W N 0.688 121.619 121.300 -0.614 0.000 2.358 402 W HA -0.153 4.507 4.660 -0.000 0.000 0.303 402 W C 1.953 178.223 176.519 -0.416 0.000 1.208 402 W CA 1.629 58.532 57.345 -0.737 0.000 1.274 402 W CB -2.055 26.904 29.460 -0.834 0.000 1.138 402 W HN -0.069 nan 8.180 nan 0.000 0.515 403 T N 0.726 114.748 114.554 -0.886 0.000 2.897 403 T HA -0.248 4.102 4.350 -0.000 0.000 0.271 403 T C 1.705 176.215 174.700 -0.317 0.000 1.084 403 T CA 2.230 63.891 62.100 -0.731 0.000 1.123 403 T CB -0.157 68.200 68.868 -0.851 0.000 0.865 403 T HN 0.393 nan 8.240 nan 0.000 0.496 404 E N -1.281 118.776 120.200 -0.237 0.000 2.110 404 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 404 E C -0.048 176.533 176.600 -0.031 0.000 0.950 404 E CA -0.354 55.996 56.400 -0.082 0.000 0.840 404 E CB 0.061 29.761 29.700 0.000 0.000 0.809 404 E HN 0.359 nan 8.360 nan 0.000 0.465 405 Y N 1.446 121.479 120.300 -0.444 0.000 2.895 405 Y HA -0.198 4.352 4.550 -0.000 0.000 0.334 405 Y C 0.481 176.159 175.900 -0.370 0.000 1.261 405 Y CA -0.140 57.558 58.100 -0.670 0.000 1.560 405 Y CB 0.050 37.677 38.460 -1.388 0.000 1.253 405 Y HN 0.243 nan 8.280 nan 0.000 0.582 406 W N 2.634 123.956 121.300 0.037 0.000 2.937 406 W HA 0.175 4.835 4.660 -0.000 0.000 0.245 406 W C -0.016 176.326 176.519 -0.295 0.000 1.306 406 W CA -0.177 57.097 57.345 -0.117 0.000 1.470 406 W CB -0.332 29.102 29.460 -0.044 0.000 1.132 406 W HN 0.438 nan 8.180 nan 0.000 0.675 407 Q N 1.877 121.008 119.800 -1.116 0.000 2.257 407 Q HA 0.538 4.878 4.340 -0.000 0.000 0.255 407 Q C 0.029 175.653 176.000 -0.626 0.000 0.920 407 Q CA -0.246 54.984 55.803 -0.955 0.000 0.927 407 Q CB 1.429 29.210 28.738 -1.596 0.000 1.229 407 Q HN 0.214 nan 8.270 nan 0.000 0.433 408 A N 3.038 125.666 122.820 -0.321 0.000 2.386 408 A HA 0.667 4.987 4.320 -0.000 0.000 0.248 408 A C -0.381 177.096 177.584 -0.178 0.000 1.082 408 A CA 0.496 52.417 52.037 -0.194 0.000 0.789 408 A CB 0.276 19.207 19.000 -0.115 0.000 1.025 408 A HN 0.865 nan 8.150 nan 0.000 0.490 409 T N -1.239 113.257 114.554 -0.096 0.000 2.722 409 T HA 0.639 4.989 4.350 -0.000 0.000 0.314 409 T C -0.930 173.860 174.700 0.150 0.000 1.675 409 T CA -0.295 61.817 62.100 0.020 0.000 1.003 409 T CB 1.053 69.938 68.868 0.029 0.000 1.602 409 T HN 2.166 nan 8.240 nan 0.000 0.496 410 W N 0.662 121.981 121.300 0.031 0.000 2.929 410 W HA 0.645 5.305 4.660 -0.000 0.000 0.363 410 W C -3.062 173.459 176.519 0.005 0.000 1.168 410 W CA -1.502 55.895 57.345 0.086 0.000 1.163 410 W CB -0.063 29.321 29.460 -0.127 0.000 1.455 410 W HN 0.917 nan 8.180 nan 0.000 0.568 411 I N 3.141 122.975 120.570 -1.226 0.000 2.722 411 I HA 0.349 4.519 4.170 -0.000 0.000 0.295 411 I C -1.990 172.841 176.117 -2.144 0.000 1.161 411 I CA -2.159 58.204 61.300 -1.561 0.000 1.032 411 I CB 2.686 39.778 38.000 -1.513 0.000 1.244 411 I HN 0.018 nan 8.210 nan 0.000 0.421 412 P HA 0.046 nan 4.420 nan 0.000 0.275 412 P C -0.498 176.667 177.300 -0.225 0.000 1.266 412 P CA -0.307 62.393 63.100 -0.667 0.000 0.793 412 P CB 0.563 32.217 31.700 -0.078 0.000 1.074 413 E N 1.214 121.451 120.200 0.062 0.000 3.056 413 E HA -0.081 4.269 4.350 -0.000 0.000 0.264 413 E C -0.676 176.080 176.600 0.260 0.000 0.899 413 E CA 0.492 56.985 56.400 0.155 0.000 0.966 413 E CB -0.029 29.753 29.700 0.136 0.000 0.913 413 E HN 0.371 nan 8.360 nan 0.000 0.522 414 W N 3.124 124.395 121.300 -0.049 0.000 3.005 414 W HA 0.591 5.251 4.660 -0.000 0.000 0.343 414 W C -1.274 175.253 176.519 0.013 0.000 1.243 414 W CA -0.818 56.521 57.345 -0.011 0.000 1.186 414 W CB 0.658 30.072 29.460 -0.077 0.000 1.453 414 W HN 0.363 nan 8.180 nan 0.000 0.575 415 E N 0.634 120.824 120.200 -0.015 0.000 2.423 415 E HA 0.552 4.902 4.350 -0.000 0.000 0.269 415 E C -1.833 174.805 176.600 0.064 0.000 0.948 415 E CA -1.069 55.202 56.400 -0.215 0.000 0.802 415 E CB 2.907 32.564 29.700 -0.071 0.000 1.339 415 E HN 0.320 nan 8.360 nan 0.000 0.445 416 F N 1.692 121.579 119.950 -0.105 0.000 2.427 416 F HA 0.421 4.948 4.527 -0.000 0.000 0.346 416 F C -0.916 174.942 175.800 0.097 0.000 1.120 416 F CA -0.866 57.205 58.000 0.118 0.000 1.033 416 F CB 1.010 40.060 39.000 0.083 0.000 1.126 416 F HN 0.054 nan 8.300 nan 0.000 0.462 417 V N 7.523 127.026 119.914 -0.686 0.000 2.370 417 V HA 0.340 4.460 4.120 -0.000 0.000 0.279 417 V C -0.537 174.825 176.094 -1.220 0.000 1.029 417 V CA -0.621 61.275 62.300 -0.673 0.000 0.870 417 V CB 0.925 32.614 31.823 -0.224 0.000 0.984 417 V HN 0.814 nan 8.190 nan 0.000 0.451 418 N N 4.686 122.835 118.700 -0.918 0.000 2.415 418 N HA 0.235 4.975 4.740 -0.000 0.000 0.250 418 N C -0.568 174.842 175.510 -0.167 0.000 1.127 418 N CA 0.439 53.194 53.050 -0.491 0.000 0.945 418 N CB 0.696 39.116 38.487 -0.112 0.000 1.196 418 N HN 0.824 nan 8.380 nan 0.000 0.499 419 T N 4.351 118.867 114.554 -0.065 0.000 3.888 419 T HA 0.249 4.599 4.350 -0.000 0.000 0.274 419 T C -2.905 171.825 174.700 0.050 0.000 0.639 419 T CA -0.906 61.193 62.100 -0.000 0.000 1.047 419 T CB 0.291 69.148 68.868 -0.019 0.000 1.111 419 T HN 0.201 nan 8.240 nan 0.000 0.497 420 P HA 0.234 nan 4.420 nan 0.000 0.271 420 P C -2.354 174.971 177.300 0.041 0.000 1.238 420 P CA -0.726 62.416 63.100 0.071 0.000 0.794 420 P CB -0.027 31.714 31.700 0.068 0.000 0.959 421 P HA 0.058 nan 4.420 nan 0.000 0.267 421 P C -0.608 176.722 177.300 0.050 0.000 1.209 421 P CA 0.600 63.723 63.100 0.039 0.000 0.763 421 P CB 0.386 32.094 31.700 0.015 0.000 0.816 422 L N 2.790 124.055 121.223 0.070 0.000 2.439 422 L HA 0.417 4.756 4.340 -0.000 0.000 0.259 422 L C 0.437 177.320 176.870 0.023 0.000 1.129 422 L CA -1.220 53.673 54.840 0.089 0.000 0.803 422 L CB 1.011 43.138 42.059 0.113 0.000 1.161 422 L HN 0.137 nan 8.230 nan 0.000 0.462 423 V N 0.795 120.728 119.914 0.032 0.000 2.398 423 V HA 0.779 4.899 4.120 -0.000 0.000 0.286 423 V C 0.222 176.249 176.094 -0.111 0.000 1.026 423 V CA -0.433 61.860 62.300 -0.012 0.000 0.868 423 V CB 1.067 32.946 31.823 0.094 0.000 0.982 423 V HN 0.891 nan 8.190 nan 0.000 0.443 424 K N 3.560 123.805 120.400 -0.259 0.000 2.575 424 K HA 0.751 5.071 4.320 -0.000 0.000 0.279 424 K C -1.176 175.133 176.600 -0.485 0.000 0.969 424 K CA -0.736 55.341 56.287 -0.350 0.000 0.868 424 K CB 1.088 33.345 32.500 -0.404 0.000 1.457 424 K HN 0.569 nan 8.250 nan 0.000 0.426 425 L N 1.871 122.865 121.223 -0.381 0.000 2.410 425 L HA 0.209 4.549 4.340 -0.000 0.000 0.273 425 L C 0.582 177.259 176.870 -0.322 0.000 1.144 425 L CA -0.097 54.539 54.840 -0.338 0.000 0.863 425 L CB 0.630 42.498 42.059 -0.318 0.000 1.140 425 L HN 0.937 nan 8.230 nan 0.000 0.463 426 W N 3.133 124.396 121.300 -0.061 0.000 2.658 426 W HA -0.024 4.636 4.660 -0.000 0.000 0.263 426 W C 0.386 177.002 176.519 0.161 0.000 1.274 426 W CA -0.027 57.353 57.345 0.057 0.000 1.343 426 W CB -0.019 29.503 29.460 0.104 0.000 1.106 426 W HN 0.517 nan 8.180 nan 0.000 0.615 427 Y N -2.172 118.212 120.300 0.140 0.000 2.889 427 Y HA 0.683 5.233 4.550 -0.000 0.000 0.317 427 Y C -0.859 175.068 175.900 0.045 0.000 1.414 427 Y CA -2.408 55.746 58.100 0.091 0.000 1.091 427 Y CB 0.789 39.307 38.460 0.097 0.000 1.358 427 Y HN -0.161 nan 8.280 nan 0.000 0.487 428 Q N 1.678 121.629 119.800 0.253 0.000 2.548 428 Q HA 0.364 4.704 4.340 -0.000 0.000 0.232 428 Q C -1.998 174.111 176.000 0.183 0.000 0.838 428 Q CA -0.413 55.439 55.803 0.082 0.000 1.032 428 Q CB 1.295 30.049 28.738 0.026 0.000 1.548 428 Q HN 0.872 nan 8.270 nan 0.000 0.479 429 L N 1.785 123.119 121.223 0.185 0.000 2.472 429 L HA 0.184 4.524 4.340 -0.000 0.000 0.273 429 L C 0.729 177.685 176.870 0.143 0.000 1.254 429 L CA 0.085 55.029 54.840 0.173 0.000 0.823 429 L CB 0.178 42.316 42.059 0.131 0.000 1.096 429 L HN 0.627 nan 8.230 nan 0.000 0.521 430 E N 0.541 120.849 120.200 0.180 0.000 2.283 430 E HA 0.177 4.527 4.350 -0.000 0.000 0.267 430 E C 0.291 177.033 176.600 0.238 0.000 1.045 430 E CA -0.376 56.152 56.400 0.214 0.000 0.884 430 E CB 1.522 31.389 29.700 0.278 0.000 1.106 430 E HN 0.399 nan 8.360 nan 0.000 0.408 431 K N 0.559 121.079 120.400 0.201 0.000 2.211 431 K HA 0.068 4.388 4.320 -0.000 0.000 0.201 431 K C 0.180 176.954 176.600 0.289 0.000 1.052 431 K CA 0.575 56.972 56.287 0.182 0.000 0.973 431 K CB 0.452 33.015 32.500 0.106 0.000 0.766 431 K HN 0.287 nan 8.250 nan 0.000 0.466 432 E N 0.959 121.311 120.200 0.253 0.000 2.256 432 E HA 0.265 4.615 4.350 -0.000 0.000 0.267 432 E C -2.660 173.801 176.600 -0.232 0.000 0.892 432 E CA -2.807 53.667 56.400 0.123 0.000 0.775 432 E CB 1.390 31.108 29.700 0.030 0.000 1.207 432 E HN -0.073 nan 8.360 nan 0.000 0.420 433 P HA 0.036 nan 4.420 nan 0.000 0.265 433 P C -0.058 176.971 177.300 -0.451 0.000 1.193 433 P CA -0.246 62.153 63.100 -1.169 0.000 0.765 433 P CB 0.617 31.832 31.700 -0.809 0.000 0.823 434 I N 4.307 124.686 120.570 -0.319 0.000 2.612 434 I HA 0.127 4.297 4.170 -0.000 0.000 0.295 434 I C -0.456 175.595 176.117 -0.110 0.000 1.011 434 I CA -0.686 60.534 61.300 -0.134 0.000 1.326 434 I CB 1.319 39.289 38.000 -0.050 0.000 1.427 434 I HN 0.093 nan 8.210 nan 0.000 0.537 435 V N 6.155 126.027 119.914 -0.070 0.000 2.435 435 V HA 0.716 4.836 4.120 -0.000 0.000 0.290 435 V C 0.637 176.708 176.094 -0.039 0.000 1.030 435 V CA 0.095 62.361 62.300 -0.056 0.000 0.881 435 V CB 0.562 32.356 31.823 -0.048 0.000 0.983 435 V HN 1.028 nan 8.190 nan 0.000 0.445 436 G N 3.009 111.786 108.800 -0.039 0.000 2.141 436 G HA2 0.272 4.232 3.960 -0.000 0.000 0.164 436 G HA3 0.272 4.232 3.960 -0.000 0.000 0.164 436 G C -0.111 174.770 174.900 -0.030 0.000 1.009 436 G CA 0.124 45.206 45.100 -0.031 0.000 0.677 436 G HN 1.643 nan 8.290 nan 0.000 0.508 437 A N -0.083 122.712 122.820 -0.041 0.000 2.488 437 A HA 0.766 5.086 4.320 -0.000 0.000 0.298 437 A C -0.165 177.372 177.584 -0.078 0.000 1.044 437 A CA -0.516 51.497 52.037 -0.041 0.000 0.693 437 A CB 1.078 20.073 19.000 -0.009 0.000 1.272 437 A HN 0.392 nan 8.150 nan 0.000 0.402 438 E N 1.074 121.188 120.200 -0.143 0.000 2.413 438 E HA 0.252 4.602 4.350 -0.000 0.000 0.263 438 E C 0.265 176.729 176.600 -0.227 0.000 1.015 438 E CA 0.498 56.730 56.400 -0.281 0.000 0.916 438 E CB 0.520 29.860 29.700 -0.601 0.000 0.947 438 E HN 0.609 nan 8.360 nan 0.000 0.440 439 T N 1.653 116.126 114.554 -0.135 0.000 3.400 439 T HA 0.229 4.579 4.350 -0.000 0.000 0.364 439 T C -0.237 174.596 174.700 0.221 0.000 1.636 439 T CA -0.798 61.341 62.100 0.064 0.000 1.211 439 T CB -0.765 68.196 68.868 0.156 0.000 1.180 439 T HN 0.190 nan 8.240 nan 0.000 0.730 440 F N 2.618 122.657 119.950 0.149 0.000 2.642 440 F HA 0.178 4.705 4.527 -0.000 0.000 0.371 440 F C 0.391 176.401 175.800 0.350 0.000 1.120 440 F CA 0.094 58.197 58.000 0.172 0.000 1.331 440 F CB 0.226 39.192 39.000 -0.057 0.000 1.044 440 F HN 0.462 nan 8.300 nan 0.000 0.594 441 Y N 2.756 123.227 120.300 0.285 0.000 2.842 441 Y HA 0.391 4.941 4.550 -0.000 0.000 0.334 441 Y C 0.004 176.026 175.900 0.205 0.000 1.019 441 Y CA -1.406 56.804 58.100 0.184 0.000 1.258 441 Y CB 0.138 38.670 38.460 0.119 0.000 1.106 441 Y HN 0.338 nan 8.280 nan 0.000 0.545 442 V N -0.770 119.300 119.914 0.260 0.000 3.264 442 V HA 0.710 4.830 4.120 -0.000 0.000 0.304 442 V C -0.043 176.136 176.094 0.142 0.000 1.086 442 V CA -0.201 62.224 62.300 0.209 0.000 1.090 442 V CB 1.763 33.671 31.823 0.142 0.000 1.112 442 V HN 0.571 nan 8.190 nan 0.000 0.472 443 D N -1.443 119.029 120.400 0.119 0.000 3.024 443 D HA 0.635 5.275 4.640 -0.000 0.000 0.354 443 D C -0.519 175.829 176.300 0.081 0.000 1.431 443 D CA 0.582 54.637 54.000 0.093 0.000 0.842 443 D CB 1.071 41.923 40.800 0.086 0.000 1.437 443 D HN 1.358 nan 8.370 nan 0.000 0.507 444 G N -1.150 107.696 108.800 0.076 0.000 2.325 444 G HA2 0.765 4.725 3.960 -0.000 0.000 0.297 444 G HA3 0.765 4.725 3.960 -0.000 0.000 0.297 444 G C -1.636 173.308 174.900 0.074 0.000 1.448 444 G CA 0.332 45.472 45.100 0.066 0.000 0.838 444 G HN 1.150 nan 8.290 nan 0.000 0.579 445 A N -1.251 121.607 122.820 0.063 0.000 2.467 445 A HA 1.233 5.553 4.320 -0.000 0.000 0.301 445 A C -0.433 177.183 177.584 0.053 0.000 1.126 445 A CA 0.342 52.419 52.037 0.066 0.000 0.632 445 A CB 0.840 19.877 19.000 0.061 0.000 1.331 445 A HN 2.823 nan 8.150 nan 0.000 0.482 446 A N -0.440 122.411 122.820 0.050 0.000 2.544 446 A HA 0.696 5.016 4.320 -0.000 0.000 0.291 446 A C -1.605 176.001 177.584 0.037 0.000 1.055 446 A CA -0.145 51.916 52.037 0.040 0.000 0.651 446 A CB 0.827 19.852 19.000 0.042 0.000 1.296 446 A HN 1.578 nan 8.150 nan 0.000 0.431 447 N N -0.509 118.209 118.700 0.030 0.000 2.407 447 N HA 0.461 5.201 4.740 -0.000 0.000 0.277 447 N C 0.850 176.374 175.510 0.023 0.000 0.995 447 N CA -0.667 52.399 53.050 0.026 0.000 0.903 447 N CB 1.286 39.786 38.487 0.022 0.000 1.218 447 N HN 0.560 nan 8.380 nan 0.000 0.487 448 R N 1.821 122.334 120.500 0.022 0.000 2.105 448 R HA -0.112 4.228 4.340 -0.000 0.000 0.239 448 R C 0.600 176.909 176.300 0.016 0.000 1.135 448 R CA 1.453 57.564 56.100 0.018 0.000 0.967 448 R CB 0.033 30.342 30.300 0.016 0.000 0.861 448 R HN 0.699 nan 8.270 nan 0.000 0.442 449 E N -0.365 119.844 120.200 0.015 0.000 2.347 449 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 449 E C 1.537 178.145 176.600 0.013 0.000 1.008 449 E CA 1.510 57.918 56.400 0.013 0.000 0.852 449 E CB 0.176 29.884 29.700 0.013 0.000 0.783 449 E HN 0.493 nan 8.360 nan 0.000 0.505 450 T N -1.858 112.704 114.554 0.014 0.000 2.978 450 T HA 0.063 4.413 4.350 -0.000 0.000 0.248 450 T C 1.155 175.864 174.700 0.015 0.000 1.018 450 T CA 0.360 62.468 62.100 0.014 0.000 1.026 450 T CB 0.178 69.054 68.868 0.014 0.000 1.032 450 T HN 0.218 nan 8.240 nan 0.000 0.485 451 K N 0.599 121.009 120.400 0.017 0.000 3.512 451 K HA -0.187 4.133 4.320 -0.000 0.000 0.309 451 K C -0.498 176.114 176.600 0.020 0.000 1.350 451 K CA 1.264 57.562 56.287 0.018 0.000 0.960 451 K CB -2.818 29.692 32.500 0.016 0.000 1.290 451 K HN 0.572 nan 8.250 nan 0.000 0.454 452 L N -2.082 119.153 121.223 0.019 0.000 2.303 452 L HA 1.021 5.361 4.340 -0.000 0.000 0.266 452 L C 0.319 177.202 176.870 0.022 0.000 1.011 452 L CA 0.090 54.941 54.840 0.019 0.000 0.818 452 L CB 2.123 44.191 42.059 0.015 0.000 1.326 452 L HN 0.251 nan 8.230 nan 0.000 0.435 453 G N 0.082 108.895 108.800 0.021 0.000 2.356 453 G HA2 0.482 4.442 3.960 -0.000 0.000 0.294 453 G HA3 0.482 4.442 3.960 -0.000 0.000 0.294 453 G C -1.802 173.110 174.900 0.020 0.000 1.423 453 G CA -0.953 44.161 45.100 0.023 0.000 0.806 453 G HN 0.668 nan 8.290 nan 0.000 0.527 454 K N -0.945 119.466 120.400 0.017 0.000 2.316 454 K HA 0.907 5.227 4.320 -0.000 0.000 0.234 454 K C -0.609 176.000 176.600 0.015 0.000 1.054 454 K CA -0.524 55.768 56.287 0.009 0.000 0.879 454 K CB 2.446 34.944 32.500 -0.003 0.000 1.252 454 K HN 1.298 nan 8.250 nan 0.000 0.471 455 A N 0.333 123.155 122.820 0.003 0.000 2.521 455 A HA 0.635 4.955 4.320 -0.000 0.000 0.298 455 A C -0.973 176.597 177.584 -0.023 0.000 1.044 455 A CA -0.200 51.844 52.037 0.011 0.000 0.911 455 A CB 1.172 20.195 19.000 0.038 0.000 1.376 455 A HN 0.737 nan 8.150 nan 0.000 0.392 456 G N 0.571 109.351 108.800 -0.034 0.000 2.559 456 G HA2 0.689 4.649 3.960 -0.000 0.000 0.291 456 G HA3 0.689 4.649 3.960 -0.000 0.000 0.291 456 G C -0.802 174.073 174.900 -0.041 0.000 1.424 456 G CA 0.033 45.054 45.100 -0.131 0.000 0.786 456 G HN 1.616 nan 8.290 nan 0.000 0.485 457 Y N -1.879 118.460 120.300 0.066 0.000 2.534 457 Y HA 0.804 5.354 4.550 -0.000 0.000 0.338 457 Y C 0.027 176.025 175.900 0.163 0.000 1.279 457 Y CA -1.438 56.752 58.100 0.150 0.000 1.436 457 Y CB 1.379 39.972 38.460 0.221 0.000 1.573 457 Y HN 0.413 nan 8.280 nan 0.000 0.567 458 V N 0.758 121.004 119.914 0.552 0.000 3.161 458 V HA 0.070 4.190 4.120 -0.000 0.000 0.263 458 V C 0.043 176.235 176.094 0.163 0.000 0.838 458 V CA -0.404 62.067 62.300 0.283 0.000 1.057 458 V CB 0.292 32.176 31.823 0.103 0.000 0.943 458 V HN 1.086 nan 8.190 nan 0.000 0.500 459 T N 1.744 116.398 114.554 0.168 0.000 2.636 459 T HA -0.048 4.302 4.350 -0.000 0.000 0.348 459 T C 1.661 176.242 174.700 -0.198 0.000 1.076 459 T CA 1.160 63.158 62.100 -0.170 0.000 1.064 459 T CB 0.378 68.982 68.868 -0.441 0.000 0.995 459 T HN 0.847 nan 8.240 nan 0.000 0.547 460 N N 1.566 120.128 118.700 -0.229 0.000 2.409 460 N HA -0.039 4.701 4.740 -0.000 0.000 0.179 460 N C 1.399 176.821 175.510 -0.147 0.000 1.032 460 N CA 0.887 53.814 53.050 -0.205 0.000 0.898 460 N CB -0.115 38.286 38.487 -0.142 0.000 0.971 460 N HN 0.611 nan 8.380 nan 0.000 0.441 461 K N -0.460 119.855 120.400 -0.142 0.000 2.296 461 K HA 0.109 4.429 4.320 -0.000 0.000 0.200 461 K C 0.948 177.505 176.600 -0.071 0.000 1.048 461 K CA 0.827 57.054 56.287 -0.100 0.000 0.966 461 K CB 0.196 32.633 32.500 -0.104 0.000 0.754 461 K HN 0.452 nan 8.250 nan 0.000 0.466 462 G N 1.395 110.155 108.800 -0.067 0.000 2.545 462 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.195 462 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.195 462 G C 0.127 175.034 174.900 0.012 0.000 1.009 462 G CA -0.181 44.899 45.100 -0.034 0.000 0.703 462 G HN 0.251 nan 8.290 nan 0.000 0.479 463 R N 0.926 121.447 120.500 0.035 0.000 2.767 463 R HA 0.383 4.723 4.340 -0.000 0.000 0.264 463 R C 0.411 176.835 176.300 0.206 0.000 0.987 463 R CA 1.360 57.537 56.100 0.128 0.000 1.114 463 R CB 0.170 30.574 30.300 0.173 0.000 0.976 463 R HN 0.477 nan 8.270 nan 0.000 0.437 464 Q N 0.578 120.497 119.800 0.198 0.000 3.019 464 Q HA 0.585 4.925 4.340 -0.000 0.000 0.337 464 Q C -1.699 174.213 176.000 -0.147 0.000 0.900 464 Q CA -0.852 54.994 55.803 0.072 0.000 0.800 464 Q CB 1.604 30.342 28.738 -0.000 0.000 1.437 464 Q HN 0.545 nan 8.270 nan 0.000 0.505 465 K N -1.554 118.645 120.400 -0.334 0.000 3.120 465 K HA 0.450 4.770 4.320 -0.000 0.000 0.337 465 K C -2.158 174.237 176.600 -0.342 0.000 1.147 465 K CA -0.130 55.898 56.287 -0.431 0.000 0.901 465 K CB 0.667 32.634 32.500 -0.889 0.000 1.386 465 K HN 0.285 nan 8.250 nan 0.000 0.391 466 V N 2.903 122.688 119.914 -0.216 0.000 4.911 466 V HA 0.117 4.237 4.120 -0.000 0.000 0.659 466 V C -0.519 175.524 176.094 -0.084 0.000 1.968 466 V CA -0.221 61.998 62.300 -0.135 0.000 3.229 466 V CB 0.831 32.601 31.823 -0.088 0.000 0.706 466 V HN 0.741 nan 8.190 nan 0.000 0.593 467 V N 1.064 120.927 119.914 -0.084 0.000 2.752 467 V HA 0.279 4.399 4.120 -0.000 0.000 0.306 467 V C -1.588 174.494 176.094 -0.021 0.000 1.099 467 V CA -0.470 61.804 62.300 -0.042 0.000 1.240 467 V CB 0.250 32.056 31.823 -0.027 0.000 0.887 467 V HN 0.497 nan 8.190 nan 0.000 0.499 468 P HA 0.662 nan 4.420 nan 0.000 0.284 468 P C -1.267 176.038 177.300 0.009 0.000 1.258 468 P CA -0.691 62.408 63.100 -0.001 0.000 0.824 468 P CB 1.792 33.490 31.700 -0.002 0.000 1.038 469 L N 1.252 122.484 121.223 0.014 0.000 2.401 469 L HA 0.622 4.962 4.340 -0.000 0.000 0.266 469 L C 0.452 177.334 176.870 0.020 0.000 0.991 469 L CA -0.395 54.458 54.840 0.021 0.000 0.818 469 L CB 2.143 44.220 42.059 0.029 0.000 1.321 469 L HN 0.394 nan 8.230 nan 0.000 0.413 470 T N -1.361 113.205 114.554 0.020 0.000 2.824 470 T HA 0.561 4.911 4.350 -0.000 0.000 0.282 470 T C -0.130 174.582 174.700 0.020 0.000 0.993 470 T CA -0.772 61.339 62.100 0.018 0.000 0.967 470 T CB 1.321 70.198 68.868 0.015 0.000 0.960 470 T HN 0.632 nan 8.240 nan 0.000 0.441 471 N N 1.418 120.130 118.700 0.020 0.000 2.525 471 N HA -0.159 4.581 4.740 -0.000 0.000 0.283 471 N C -0.481 175.045 175.510 0.026 0.000 1.259 471 N CA 1.556 54.619 53.050 0.021 0.000 0.689 471 N CB -1.130 37.368 38.487 0.018 0.000 0.899 471 N HN 1.397 nan 8.380 nan 0.000 0.541 472 T N -1.476 113.096 114.554 0.030 0.000 2.770 472 T HA 0.667 5.017 4.350 -0.000 0.000 0.323 472 T C -0.834 173.890 174.700 0.041 0.000 1.683 472 T CA -0.691 61.432 62.100 0.038 0.000 1.024 472 T CB 1.704 70.598 68.868 0.043 0.000 1.557 472 T HN 0.201 nan 8.240 nan 0.000 0.494 473 T N 1.644 116.228 114.554 0.050 0.000 2.916 473 T HA 0.456 4.806 4.350 -0.000 0.000 0.298 473 T C 0.896 175.636 174.700 0.068 0.000 1.031 473 T CA -0.825 61.304 62.100 0.048 0.000 0.993 473 T CB 1.681 70.569 68.868 0.033 0.000 1.045 473 T HN 0.780 nan 8.240 nan 0.000 0.454 474 N N 1.980 120.721 118.700 0.068 0.000 1.643 474 N HA -0.376 4.364 4.740 -0.000 0.000 0.123 474 N C 1.668 177.255 175.510 0.129 0.000 0.476 474 N CA 2.445 55.549 53.050 0.090 0.000 0.796 474 N CB -0.631 37.905 38.487 0.082 0.000 0.712 474 N HN 0.711 nan 8.380 nan 0.000 1.360 475 Q N 0.273 120.159 119.800 0.143 0.000 2.173 475 Q HA -0.127 4.213 4.340 -0.000 0.000 0.208 475 Q C 1.753 177.931 176.000 0.296 0.000 0.989 475 Q CA 1.641 57.612 55.803 0.281 0.000 0.872 475 Q CB -0.024 28.776 28.738 0.104 0.000 0.909 475 Q HN 0.405 nan 8.270 nan 0.000 0.420 476 K N -0.130 120.380 120.400 0.182 0.000 1.973 476 K HA -0.129 4.191 4.320 -0.000 0.000 0.212 476 K C 2.413 179.079 176.600 0.109 0.000 1.047 476 K CA 1.948 58.318 56.287 0.138 0.000 0.937 476 K CB -1.300 31.255 32.500 0.093 0.000 0.721 476 K HN 0.489 nan 8.250 nan 0.000 0.440 477 T N 0.100 114.712 114.554 0.096 0.000 2.652 477 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 477 T C 1.985 176.739 174.700 0.090 0.000 1.039 477 T CA 1.889 64.038 62.100 0.082 0.000 1.153 477 T CB -0.289 68.621 68.868 0.071 0.000 0.863 477 T HN 0.254 nan 8.240 nan 0.000 0.428 478 E N 0.095 120.361 120.200 0.109 0.000 2.331 478 E HA -0.036 4.314 4.350 -0.000 0.000 0.199 478 E C 1.850 178.500 176.600 0.084 0.000 1.008 478 E CA 0.687 57.151 56.400 0.107 0.000 0.843 478 E CB -0.318 29.463 29.700 0.136 0.000 0.761 478 E HN 0.526 nan 8.360 nan 0.000 0.507 479 L N -0.014 121.255 121.223 0.077 0.000 2.162 479 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 479 L C 2.125 179.018 176.870 0.040 0.000 1.086 479 L CA 1.387 56.237 54.840 0.017 0.000 0.778 479 L CB -0.315 41.740 42.059 -0.007 0.000 0.928 479 L HN 0.036 nan 8.230 nan 0.000 0.446 480 Q N -0.041 119.800 119.800 0.069 0.000 2.061 480 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 480 Q C 2.195 178.273 176.000 0.131 0.000 0.984 480 Q CA 2.257 58.121 55.803 0.102 0.000 0.846 480 Q CB -0.450 28.341 28.738 0.088 0.000 0.902 480 Q HN 0.586 nan 8.270 nan 0.000 0.421 481 A N 0.764 123.643 122.820 0.099 0.000 1.859 481 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 481 A C 2.060 179.706 177.584 0.103 0.000 1.209 481 A CA 2.077 54.177 52.037 0.104 0.000 0.639 481 A CB -1.288 17.774 19.000 0.104 0.000 0.835 481 A HN 0.541 nan 8.150 nan 0.000 0.450 482 I N -1.635 118.984 120.570 0.081 0.000 2.597 482 I HA -0.305 3.865 4.170 -0.000 0.000 0.262 482 I C 2.379 178.547 176.117 0.085 0.000 1.194 482 I CA 1.742 63.072 61.300 0.051 0.000 1.437 482 I CB -0.489 37.530 38.000 0.032 0.000 1.096 482 I HN 0.579 nan 8.210 nan 0.000 0.451 483 Y N 1.709 121.984 120.300 -0.041 0.000 2.206 483 Y HA -0.106 4.444 4.550 -0.000 0.000 0.292 483 Y C 2.193 178.058 175.900 -0.059 0.000 1.123 483 Y CA 1.122 59.190 58.100 -0.053 0.000 1.142 483 Y CB -0.510 37.928 38.460 -0.036 0.000 1.006 483 Y HN -0.022 nan 8.280 nan 0.000 0.518 484 L N 0.278 121.438 121.223 -0.104 0.000 1.933 484 L HA -0.292 4.048 4.340 -0.000 0.000 0.220 484 L C 2.709 179.404 176.870 -0.291 0.000 1.078 484 L CA 1.741 56.487 54.840 -0.157 0.000 0.773 484 L CB -1.491 40.653 42.059 0.141 0.000 0.890 484 L HN 0.212 nan 8.230 nan 0.000 0.434 485 A N -0.265 122.308 122.820 -0.411 0.000 2.225 485 A HA -0.186 4.134 4.320 -0.000 0.000 0.222 485 A C 1.869 179.122 177.584 -0.552 0.000 1.170 485 A CA 1.648 53.099 52.037 -0.977 0.000 0.672 485 A CB -0.909 17.593 19.000 -0.830 0.000 0.802 485 A HN 0.494 nan 8.150 nan 0.000 0.481 486 L N -2.038 118.993 121.223 -0.320 0.000 2.872 486 L HA 0.181 4.521 4.340 -0.000 0.000 0.245 486 L C 1.480 178.217 176.870 -0.221 0.000 1.211 486 L CA -0.006 54.717 54.840 -0.195 0.000 1.013 486 L CB 0.021 42.038 42.059 -0.070 0.000 1.326 486 L HN 0.445 nan 8.230 nan 0.000 0.525 487 Q N -1.197 118.431 119.800 -0.286 0.000 2.536 487 Q HA 0.099 4.439 4.340 -0.000 0.000 0.212 487 Q C -0.207 175.695 176.000 -0.162 0.000 0.743 487 Q CA -0.183 55.475 55.803 -0.242 0.000 0.929 487 Q CB 0.964 29.488 28.738 -0.357 0.000 1.313 487 Q HN 0.241 nan 8.270 nan 0.000 0.524 488 D N 1.560 121.842 120.400 -0.198 0.000 2.845 488 D HA 0.277 4.916 4.640 -0.000 0.000 0.235 488 D C -0.636 175.603 176.300 -0.101 0.000 1.158 488 D CA 0.436 54.372 54.000 -0.107 0.000 0.990 488 D CB 0.726 41.517 40.800 -0.015 0.000 1.094 488 D HN -0.062 nan 8.370 nan 0.000 0.486 489 S N -1.282 114.411 115.700 -0.012 0.000 2.627 489 S HA 0.547 5.017 4.470 -0.000 0.000 0.268 489 S C 0.239 174.877 174.600 0.063 0.000 1.130 489 S CA -0.600 57.677 58.200 0.129 0.000 0.819 489 S CB 0.920 64.240 63.200 0.199 0.000 1.100 489 S HN 0.263 nan 8.310 nan 0.000 0.465 490 G N 0.548 109.394 108.800 0.077 0.000 2.485 490 G HA2 0.402 4.362 3.960 -0.000 0.000 0.260 490 G HA3 0.402 4.362 3.960 -0.000 0.000 0.260 490 G C 0.317 175.236 174.900 0.031 0.000 1.459 490 G CA -0.269 44.855 45.100 0.040 0.000 1.060 490 G HN 0.570 nan 8.290 nan 0.000 0.546 491 L N -0.172 121.066 121.223 0.026 0.000 2.611 491 L HA 0.354 4.694 4.340 -0.000 0.000 0.229 491 L C 0.578 177.469 176.870 0.035 0.000 1.137 491 L CA 0.538 55.394 54.840 0.026 0.000 0.901 491 L CB -0.456 41.616 42.059 0.022 0.000 1.098 491 L HN 0.460 nan 8.230 nan 0.000 0.456 492 E N -1.699 118.525 120.200 0.039 0.000 2.343 492 E HA 0.653 5.003 4.350 -0.000 0.000 0.278 492 E C -1.659 174.978 176.600 0.061 0.000 0.910 492 E CA -0.493 55.935 56.400 0.046 0.000 0.757 492 E CB 3.090 32.806 29.700 0.028 0.000 1.218 492 E HN -0.226 nan 8.360 nan 0.000 0.435 493 V N 1.777 121.740 119.914 0.081 0.000 3.216 493 V HA 0.309 4.429 4.120 -0.000 0.000 0.273 493 V C -1.997 174.184 176.094 0.146 0.000 1.664 493 V CA -0.591 61.780 62.300 0.118 0.000 1.021 493 V CB 2.343 34.283 31.823 0.195 0.000 1.250 493 V HN 0.802 nan 8.190 nan 0.000 0.463 494 N N 3.836 122.631 118.700 0.158 0.000 2.384 494 N HA 0.820 5.560 4.740 -0.000 0.000 0.301 494 N C -1.306 174.345 175.510 0.235 0.000 1.133 494 N CA -0.735 52.440 53.050 0.208 0.000 0.853 494 N CB 2.212 40.764 38.487 0.109 0.000 1.241 494 N HN 0.564 nan 8.380 nan 0.000 0.502 495 I N 0.818 121.517 120.570 0.216 0.000 2.969 495 I HA 0.496 4.666 4.170 -0.000 0.000 0.307 495 I C -1.042 175.096 176.117 0.034 0.000 1.149 495 I CA -1.048 60.336 61.300 0.139 0.000 1.008 495 I CB 2.479 40.538 38.000 0.100 0.000 1.232 495 I HN 0.118 nan 8.210 nan 0.000 0.435 496 V N 2.267 122.157 119.914 -0.041 0.000 2.610 496 V HA 0.450 4.570 4.120 -0.000 0.000 0.298 496 V C -0.410 175.627 176.094 -0.094 0.000 1.067 496 V CA -0.399 61.811 62.300 -0.150 0.000 0.894 496 V CB 2.084 33.629 31.823 -0.464 0.000 1.015 496 V HN 0.934 nan 8.190 nan 0.000 0.432 497 T N 0.372 114.890 114.554 -0.059 0.000 2.926 497 T HA 0.529 4.879 4.350 -0.000 0.000 0.289 497 T C 0.068 174.685 174.700 -0.139 0.000 1.054 497 T CA -0.518 61.569 62.100 -0.022 0.000 1.015 497 T CB 2.154 71.064 68.868 0.071 0.000 1.167 497 T HN 0.718 nan 8.240 nan 0.000 0.526 498 D N -0.895 119.459 120.400 -0.077 0.000 2.433 498 D HA 0.071 4.711 4.640 -0.000 0.000 0.211 498 D C 0.468 176.921 176.300 0.255 0.000 1.114 498 D CA -0.275 53.614 54.000 -0.186 0.000 0.837 498 D CB 0.025 40.767 40.800 -0.096 0.000 0.984 498 D HN 0.482 nan 8.370 nan 0.000 0.505 499 S N 0.323 116.214 115.700 0.319 0.000 2.422 499 S HA 0.259 4.729 4.470 -0.000 0.000 0.308 499 S C 0.757 175.566 174.600 0.347 0.000 1.097 499 S CA -0.512 57.899 58.200 0.352 0.000 1.099 499 S CB 2.125 65.472 63.200 0.246 0.000 0.976 499 S HN -0.221 nan 8.310 nan 0.000 0.471 500 Q N 2.704 122.655 119.800 0.252 0.000 2.079 500 Q HA -0.038 4.302 4.340 -0.000 0.000 0.200 500 Q C 1.463 177.508 176.000 0.075 0.000 0.974 500 Q CA 1.694 57.480 55.803 -0.028 0.000 0.840 500 Q CB -0.813 27.807 28.738 -0.197 0.000 0.898 500 Q HN 0.899 nan 8.270 nan 0.000 0.430 501 Y N 1.468 121.794 120.300 0.042 0.000 1.977 501 Y HA -0.379 4.171 4.550 -0.000 0.000 0.264 501 Y C 2.258 178.206 175.900 0.079 0.000 1.167 501 Y CA 1.894 60.032 58.100 0.063 0.000 1.102 501 Y CB -1.105 37.400 38.460 0.076 0.000 0.948 501 Y HN 0.085 nan 8.280 nan 0.000 0.489 502 A N 0.397 123.000 122.820 -0.362 0.000 1.877 502 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 502 A C 2.265 179.751 177.584 -0.164 0.000 1.186 502 A CA 1.745 53.536 52.037 -0.409 0.000 0.620 502 A CB -1.374 17.512 19.000 -0.189 0.000 0.822 502 A HN 0.593 nan 8.150 nan 0.000 0.443 503 L N 0.353 121.554 121.223 -0.037 0.000 1.963 503 L HA -0.148 4.192 4.340 -0.000 0.000 0.220 503 L C 2.396 179.256 176.870 -0.016 0.000 1.076 503 L CA 2.717 57.557 54.840 0.000 0.000 0.772 503 L CB -1.543 40.541 42.059 0.041 0.000 0.892 503 L HN 0.332 nan 8.230 nan 0.000 0.435 504 G N -0.117 108.663 108.800 -0.033 0.000 2.545 504 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 504 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 504 G C 1.690 176.681 174.900 0.150 0.000 1.218 504 G CA 1.426 46.536 45.100 0.016 0.000 0.787 504 G HN 0.558 nan 8.290 nan 0.000 0.571 505 I N 0.846 121.470 120.570 0.091 0.000 2.191 505 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 505 I C 2.612 178.791 176.117 0.103 0.000 1.061 505 I CA 1.187 62.543 61.300 0.093 0.000 1.329 505 I CB -0.432 37.485 38.000 -0.138 0.000 1.024 505 I HN 0.150 nan 8.210 nan 0.000 0.423 506 I N 0.236 120.845 120.570 0.066 0.000 2.193 506 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 506 I C 2.607 178.844 176.117 0.201 0.000 1.084 506 I CA 1.509 62.882 61.300 0.122 0.000 1.365 506 I CB -1.375 36.672 38.000 0.078 0.000 1.064 506 I HN 0.358 nan 8.210 nan 0.000 0.410 507 Q N 0.909 120.827 119.800 0.196 0.000 2.133 507 Q HA -0.209 4.131 4.340 -0.000 0.000 0.208 507 Q C 2.172 178.360 176.000 0.313 0.000 0.991 507 Q CA 2.071 58.028 55.803 0.257 0.000 0.867 507 Q CB -0.374 28.522 28.738 0.263 0.000 0.911 507 Q HN 0.563 nan 8.270 nan 0.000 0.417 508 A N 0.738 123.786 122.820 0.378 0.000 2.285 508 A HA -0.211 4.109 4.320 -0.000 0.000 0.214 508 A C 0.351 177.933 177.584 -0.003 0.000 1.188 508 A CA 0.924 53.076 52.037 0.193 0.000 0.707 508 A CB -0.303 18.864 19.000 0.280 0.000 0.771 508 A HN 0.479 nan 8.150 nan 0.000 0.488 509 Q N -2.322 117.468 119.800 -0.017 0.000 2.468 509 Q HA -0.142 4.197 4.340 -0.000 0.000 0.289 509 Q C -2.190 173.699 176.000 -0.186 0.000 1.299 509 Q CA 0.771 56.391 55.803 -0.306 0.000 0.838 509 Q CB -2.287 26.169 28.738 -0.470 0.000 1.195 509 Q HN 0.671 nan 8.270 nan 0.000 0.456 510 P HA -0.078 nan 4.420 nan 0.000 0.265 510 P C 0.318 177.738 177.300 0.200 0.000 1.187 510 P CA 0.839 64.017 63.100 0.130 0.000 0.766 510 P CB 0.542 32.334 31.700 0.154 0.000 0.820 511 D N 1.348 121.833 120.400 0.142 0.000 2.527 511 D HA 0.141 4.781 4.640 -0.000 0.000 0.224 511 D C -0.119 176.235 176.300 0.089 0.000 1.217 511 D CA -0.118 53.984 54.000 0.169 0.000 0.819 511 D CB 0.285 41.210 40.800 0.208 0.000 1.061 511 D HN 0.202 nan 8.370 nan 0.000 0.515 512 K N -0.602 119.851 120.400 0.089 0.000 2.774 512 K HA 0.457 4.777 4.320 -0.000 0.000 0.283 512 K C -2.086 174.576 176.600 0.104 0.000 1.050 512 K CA -0.391 55.934 56.287 0.064 0.000 0.872 512 K CB 1.150 33.686 32.500 0.060 0.000 1.434 512 K HN -0.098 nan 8.250 nan 0.000 0.372 513 S N 0.830 116.588 115.700 0.096 0.000 2.790 513 S HA 0.450 4.920 4.470 -0.000 0.000 0.292 513 S C -0.355 174.317 174.600 0.119 0.000 1.197 513 S CA -0.036 58.267 58.200 0.171 0.000 0.851 513 S CB 1.404 64.749 63.200 0.241 0.000 1.217 513 S HN 0.647 nan 8.310 nan 0.000 0.526 514 E N 0.876 121.164 120.200 0.146 0.000 2.127 514 E HA 0.307 4.657 4.350 -0.000 0.000 0.191 514 E C 0.426 177.071 176.600 0.075 0.000 0.964 514 E CA 0.471 56.921 56.400 0.084 0.000 0.832 514 E CB 0.234 29.971 29.700 0.062 0.000 0.790 514 E HN 0.389 nan 8.360 nan 0.000 0.465 515 S N 0.160 115.927 115.700 0.111 0.000 2.562 515 S HA 0.084 4.554 4.470 -0.000 0.000 0.275 515 S C 0.815 175.418 174.600 0.005 0.000 1.281 515 S CA -0.580 57.658 58.200 0.063 0.000 1.045 515 S CB 0.744 63.998 63.200 0.091 0.000 0.962 515 S HN 0.122 nan 8.310 nan 0.000 0.503 516 E N 2.786 122.969 120.200 -0.027 0.000 2.046 516 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 516 E C 1.897 178.412 176.600 -0.141 0.000 0.982 516 E CA 0.648 57.006 56.400 -0.069 0.000 0.800 516 E CB -0.469 29.195 29.700 -0.060 0.000 0.756 516 E HN 0.667 nan 8.360 nan 0.000 0.449 517 L N 1.053 122.181 121.223 -0.157 0.000 2.011 517 L HA -0.246 4.093 4.340 -0.000 0.000 0.225 517 L C 2.347 179.027 176.870 -0.316 0.000 1.084 517 L CA 1.718 56.394 54.840 -0.273 0.000 0.791 517 L CB -0.653 41.302 42.059 -0.172 0.000 0.898 517 L HN -0.049 nan 8.230 nan 0.000 0.440 518 V N -0.315 119.476 119.914 -0.206 0.000 2.667 518 V HA -0.195 3.925 4.120 -0.000 0.000 0.252 518 V C 2.353 178.346 176.094 -0.168 0.000 1.065 518 V CA 1.608 63.780 62.300 -0.213 0.000 1.083 518 V CB -0.940 30.717 31.823 -0.276 0.000 0.692 518 V HN 0.551 nan 8.190 nan 0.000 0.468 519 N N 0.105 118.726 118.700 -0.132 0.000 2.270 519 N HA -0.139 4.601 4.740 -0.000 0.000 0.181 519 N C 1.930 177.361 175.510 -0.132 0.000 1.016 519 N CA 1.295 54.286 53.050 -0.098 0.000 0.870 519 N CB 0.090 38.534 38.487 -0.070 0.000 0.979 519 N HN 0.601 nan 8.380 nan 0.000 0.431 520 Q N 0.018 119.696 119.800 -0.204 0.000 2.096 520 Q HA 0.100 4.440 4.340 -0.000 0.000 0.197 520 Q C 2.120 178.012 176.000 -0.180 0.000 0.964 520 Q CA 0.707 56.379 55.803 -0.218 0.000 0.838 520 Q CB 0.143 28.640 28.738 -0.402 0.000 0.906 520 Q HN 0.384 nan 8.270 nan 0.000 0.444 521 I N 0.691 121.101 120.570 -0.266 0.000 2.530 521 I HA -0.265 3.905 4.170 -0.000 0.000 0.257 521 I C 2.053 178.089 176.117 -0.134 0.000 1.179 521 I CA 1.016 62.246 61.300 -0.117 0.000 1.440 521 I CB -0.257 37.664 38.000 -0.132 0.000 1.087 521 I HN 0.253 nan 8.210 nan 0.000 0.440 522 I N 0.503 120.984 120.570 -0.148 0.000 2.233 522 I HA -0.229 3.940 4.170 -0.000 0.000 0.243 522 I C 2.586 178.594 176.117 -0.183 0.000 1.093 522 I CA 1.091 62.291 61.300 -0.167 0.000 1.380 522 I CB -0.134 37.826 38.000 -0.067 0.000 1.067 522 I HN 0.134 nan 8.210 nan 0.000 0.413 523 E N 1.055 121.185 120.200 -0.117 0.000 2.160 523 E HA -0.272 4.078 4.350 -0.000 0.000 0.195 523 E C 2.221 178.779 176.600 -0.070 0.000 0.991 523 E CA 2.016 58.362 56.400 -0.089 0.000 0.810 523 E CB -0.236 29.430 29.700 -0.057 0.000 0.742 523 E HN 0.508 nan 8.360 nan 0.000 0.466 524 Q N -0.060 119.713 119.800 -0.045 0.000 2.016 524 Q HA -0.066 4.274 4.340 -0.000 0.000 0.200 524 Q C 2.222 178.158 176.000 -0.107 0.000 0.978 524 Q CA 1.578 57.360 55.803 -0.035 0.000 0.833 524 Q CB -0.957 27.793 28.738 0.021 0.000 0.895 524 Q HN 0.276 nan 8.270 nan 0.000 0.427 525 L N 0.577 121.665 121.223 -0.226 0.000 2.043 525 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 525 L C 2.513 179.238 176.870 -0.242 0.000 1.075 525 L CA 2.071 56.691 54.840 -0.368 0.000 0.752 525 L CB -0.908 40.581 42.059 -0.950 0.000 0.891 525 L HN 0.667 nan 8.230 nan 0.000 0.432 526 I N -1.046 119.412 120.570 -0.188 0.000 2.439 526 I HA -0.292 3.878 4.170 -0.000 0.000 0.251 526 I C 2.594 178.730 176.117 0.031 0.000 1.139 526 I CA 1.157 62.467 61.300 0.016 0.000 1.438 526 I CB -0.077 37.950 38.000 0.046 0.000 1.085 526 I HN 0.318 nan 8.210 nan 0.000 0.427 527 K N 1.359 121.751 120.400 -0.014 0.000 1.984 527 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 527 K C 1.155 177.764 176.600 0.014 0.000 1.046 527 K CA 0.904 57.192 56.287 0.001 0.000 0.934 527 K CB 0.016 32.508 32.500 -0.013 0.000 0.717 527 K HN 0.228 nan 8.250 nan 0.000 0.438 528 K N 0.212 120.613 120.400 0.002 0.000 2.251 528 K HA -0.126 4.194 4.320 -0.000 0.000 0.247 528 K C 0.812 177.435 176.600 0.038 0.000 1.098 528 K CA 0.849 57.145 56.287 0.016 0.000 0.800 528 K CB 0.143 32.648 32.500 0.009 0.000 1.086 528 K HN 0.228 nan 8.250 nan 0.000 0.520 529 E N -0.087 120.140 120.200 0.045 0.000 2.801 529 E HA 0.101 4.451 4.350 -0.000 0.000 0.212 529 E C -1.274 175.363 176.600 0.063 0.000 0.963 529 E CA 0.071 56.504 56.400 0.055 0.000 1.247 529 E CB 0.595 30.321 29.700 0.044 0.000 1.076 529 E HN 0.301 nan 8.360 nan 0.000 0.504 530 K N 0.685 121.127 120.400 0.069 0.000 2.426 530 K HA 0.190 4.510 4.320 -0.000 0.000 0.332 530 K C -1.661 174.999 176.600 0.099 0.000 1.275 530 K CA -0.241 56.096 56.287 0.083 0.000 1.121 530 K CB 1.605 34.145 32.500 0.065 0.000 1.395 530 K HN -0.093 nan 8.250 nan 0.000 0.468 531 V N 2.422 122.414 119.914 0.130 0.000 3.074 531 V HA 0.652 4.772 4.120 -0.000 0.000 0.314 531 V C -1.154 175.083 176.094 0.238 0.000 1.117 531 V CA -0.965 61.427 62.300 0.153 0.000 1.014 531 V CB 2.154 34.044 31.823 0.112 0.000 1.057 531 V HN 0.727 nan 8.190 nan 0.000 0.438 532 Y N 2.193 122.533 120.300 0.067 0.000 2.357 532 Y HA 0.672 5.222 4.550 -0.000 0.000 0.319 532 Y C -2.292 173.643 175.900 0.058 0.000 1.225 532 Y CA -0.846 57.293 58.100 0.065 0.000 1.095 532 Y CB 1.240 39.731 38.460 0.053 0.000 1.302 532 Y HN 0.517 nan 8.280 nan 0.000 0.429 533 L N 5.544 126.558 121.223 -0.349 0.000 2.341 533 L HA 1.039 5.379 4.340 -0.000 0.000 0.267 533 L C -0.361 176.251 176.870 -0.429 0.000 1.009 533 L CA -0.652 54.062 54.840 -0.211 0.000 0.819 533 L CB 1.860 43.871 42.059 -0.079 0.000 1.323 533 L HN 0.760 nan 8.230 nan 0.000 0.425 534 A N 0.214 122.948 122.820 -0.142 0.000 2.486 534 A HA 0.853 5.173 4.320 -0.000 0.000 0.289 534 A C -2.204 175.416 177.584 0.060 0.000 1.176 534 A CA -0.510 51.491 52.037 -0.060 0.000 0.757 534 A CB 1.319 20.363 19.000 0.074 0.000 1.337 534 A HN 0.708 nan 8.150 nan 0.000 0.423 535 W N -0.032 121.221 121.300 -0.077 0.000 2.882 535 W HA 0.683 5.343 4.660 -0.000 0.000 0.345 535 W C -1.729 174.769 176.519 -0.035 0.000 1.125 535 W CA -0.417 56.895 57.345 -0.056 0.000 1.167 535 W CB 1.889 31.313 29.460 -0.059 0.000 1.431 535 W HN 0.588 nan 8.180 nan 0.000 0.543 536 V N 4.382 123.582 119.914 -1.191 0.000 2.969 536 V HA 0.301 4.421 4.120 -0.000 0.000 0.304 536 V C -2.364 172.771 176.094 -1.598 0.000 1.192 536 V CA -1.969 59.693 62.300 -1.064 0.000 0.962 536 V CB 2.441 33.976 31.823 -0.480 0.000 1.045 536 V HN 0.402 nan 8.190 nan 0.000 0.428 537 P HA 0.235 nan 4.420 nan 0.000 0.263 537 P C -0.066 177.080 177.300 -0.257 0.000 1.276 537 P CA 0.266 63.004 63.100 -0.604 0.000 0.986 537 P CB 0.258 31.867 31.700 -0.153 0.000 1.105 538 A N 3.377 126.098 122.820 -0.164 0.000 2.492 538 A HA 0.023 4.343 4.320 -0.000 0.000 0.236 538 A C 0.792 178.549 177.584 0.288 0.000 1.078 538 A CA 0.213 52.310 52.037 0.101 0.000 0.773 538 A CB -0.778 18.378 19.000 0.260 0.000 1.023 538 A HN 0.808 nan 8.150 nan 0.000 0.504 539 H N -0.747 118.307 119.070 -0.027 0.000 2.992 539 H HA -0.234 4.322 4.556 -0.000 0.000 0.266 539 H C 1.231 176.555 175.328 -0.007 0.000 1.200 539 H CA 1.125 57.170 56.048 -0.006 0.000 1.135 539 H CB -1.915 27.853 29.762 0.010 0.000 1.282 539 H HN 0.899 nan 8.280 nan 0.000 0.351 540 K N 0.597 121.049 120.400 0.085 0.000 2.391 540 K HA 0.442 4.762 4.320 -0.000 0.000 0.197 540 K C 1.781 178.393 176.600 0.020 0.000 1.087 540 K CA 1.315 57.627 56.287 0.042 0.000 1.012 540 K CB 0.472 32.980 32.500 0.013 0.000 0.925 540 K HN 0.815 nan 8.250 nan 0.000 0.547 541 G N 0.259 109.065 108.800 0.010 0.000 2.157 541 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.239 541 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.239 541 G C 0.124 175.027 174.900 0.006 0.000 0.982 541 G CA 0.022 45.124 45.100 0.004 0.000 0.650 541 G HN 0.374 nan 8.290 nan 0.000 0.527 542 I N 1.767 122.336 120.570 -0.002 0.000 2.948 542 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 542 I C 2.165 178.305 176.117 0.038 0.000 1.226 542 I CA 1.214 62.517 61.300 0.004 0.000 1.413 542 I CB -0.059 37.922 38.000 -0.033 0.000 1.352 542 I HN 0.399 nan 8.210 nan 0.000 0.597 543 G N 4.140 112.976 108.800 0.059 0.000 4.046 543 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.427 543 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.427 543 G C 1.117 176.098 174.900 0.135 0.000 0.851 543 G CA 0.639 45.796 45.100 0.096 0.000 0.724 543 G HN 1.088 nan 8.290 nan 0.000 1.467 544 G N -0.061 108.913 108.800 0.290 0.000 3.079 544 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.205 544 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.205 544 G C 1.163 176.307 174.900 0.406 0.000 1.203 544 G CA 0.905 46.090 45.100 0.143 0.000 0.929 544 G HN 0.616 nan 8.290 nan 0.000 0.498 545 N N -0.012 118.827 118.700 0.233 0.000 2.245 545 N HA -0.063 4.677 4.740 -0.000 0.000 0.185 545 N C 1.912 177.465 175.510 0.072 0.000 1.036 545 N CA 0.501 53.635 53.050 0.140 0.000 0.857 545 N CB 0.192 38.705 38.487 0.043 0.000 1.015 545 N HN 0.392 nan 8.380 nan 0.000 0.436 546 E N 0.740 120.959 120.200 0.032 0.000 2.136 546 E HA -0.313 4.037 4.350 -0.000 0.000 0.208 546 E C 1.901 178.501 176.600 0.001 0.000 1.035 546 E CA 1.511 57.910 56.400 -0.002 0.000 0.838 546 E CB -0.117 29.578 29.700 -0.008 0.000 0.748 546 E HN 0.320 nan 8.360 nan 0.000 0.459 547 Q N 0.021 119.825 119.800 0.008 0.000 1.858 547 Q HA -0.217 4.123 4.340 -0.000 0.000 0.240 547 Q C 2.428 178.439 176.000 0.018 0.000 1.014 547 Q CA 2.238 58.040 55.803 -0.001 0.000 0.884 547 Q CB -0.813 27.909 28.738 -0.027 0.000 0.957 547 Q HN 0.358 nan 8.270 nan 0.000 0.419 548 V N -0.188 119.759 119.914 0.055 0.000 2.370 548 V HA -0.305 3.815 4.120 -0.000 0.000 0.252 548 V C 1.893 178.007 176.094 0.032 0.000 1.068 548 V CA 2.214 64.551 62.300 0.062 0.000 1.061 548 V CB -1.103 30.792 31.823 0.120 0.000 0.656 548 V HN 0.379 nan 8.190 nan 0.000 0.455 549 D N 1.004 121.416 120.400 0.020 0.000 2.108 549 D HA -0.260 4.380 4.640 -0.000 0.000 0.190 549 D C 2.134 178.417 176.300 -0.028 0.000 0.995 549 D CA 2.236 56.225 54.000 -0.018 0.000 0.834 549 D CB -0.262 40.501 40.800 -0.062 0.000 0.967 549 D HN 0.444 nan 8.370 nan 0.000 0.446 550 K N -0.533 119.849 120.400 -0.030 0.000 2.032 550 K HA -0.102 4.218 4.320 -0.000 0.000 0.209 550 K C 2.110 178.700 176.600 -0.018 0.000 1.048 550 K CA 0.863 57.133 56.287 -0.028 0.000 0.927 550 K CB -0.683 31.802 32.500 -0.025 0.000 0.712 550 K HN 0.183 nan 8.250 nan 0.000 0.441 551 L N 0.023 121.239 121.223 -0.012 0.000 2.351 551 L HA -0.107 4.233 4.340 -0.000 0.000 0.220 551 L C 1.045 177.907 176.870 -0.013 0.000 1.127 551 L CA 1.430 56.263 54.840 -0.012 0.000 0.786 551 L CB 0.188 42.242 42.059 -0.010 0.000 0.914 551 L HN 0.099 nan 8.230 nan 0.000 0.443 552 V N -3.246 116.664 119.914 -0.007 0.000 3.432 552 V HA 0.192 4.312 4.120 -0.000 0.000 0.298 552 V C 1.560 177.653 176.094 -0.001 0.000 1.464 552 V CA 0.504 62.803 62.300 -0.002 0.000 1.046 552 V CB 0.354 32.183 31.823 0.011 0.000 0.887 552 V HN 0.218 nan 8.190 nan 0.000 0.441 553 S N 2.060 117.753 115.700 -0.010 0.000 2.840 553 S HA 0.323 4.793 4.470 -0.000 0.000 0.235 553 S C 1.086 175.681 174.600 -0.008 0.000 0.968 553 S CA 0.462 58.654 58.200 -0.013 0.000 1.026 553 S CB -0.281 62.899 63.200 -0.033 0.000 0.788 553 S HN 0.564 nan 8.310 nan 0.000 0.487 554 A N 1.723 124.540 122.820 -0.005 0.000 2.671 554 A HA 0.577 4.897 4.320 -0.000 0.000 0.306 554 A C 0.957 178.542 177.584 0.002 0.000 1.473 554 A CA -0.046 51.989 52.037 -0.003 0.000 1.155 554 A CB -0.904 18.093 19.000 -0.005 0.000 1.123 554 A HN 0.683 nan 8.150 nan 0.000 0.545 555 G N 1.452 110.254 108.800 0.003 0.000 2.943 555 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.250 555 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.250 555 G C -0.082 174.825 174.900 0.013 0.000 0.996 555 G CA -0.032 45.073 45.100 0.008 0.000 1.248 555 G HN 1.168 nan 8.290 nan 0.000 0.589 556 I N -0.088 120.490 120.570 0.012 0.000 4.050 556 I HA 0.650 4.820 4.170 -0.000 0.000 0.327 556 I C 0.786 176.916 176.117 0.021 0.000 1.473 556 I CA 0.592 61.903 61.300 0.018 0.000 1.124 556 I CB -0.080 37.926 38.000 0.010 0.000 1.129 556 I HN 0.946 nan 8.210 nan 0.000 0.428 557 R N 0.628 121.138 120.500 0.018 0.000 2.765 557 R HA 0.643 4.983 4.340 -0.000 0.000 0.277 557 R C 0.122 176.430 176.300 0.014 0.000 1.028 557 R CA 0.161 56.271 56.100 0.018 0.000 0.860 557 R CB 0.152 30.462 30.300 0.016 0.000 1.270 557 R HN 0.316 nan 8.270 nan 0.000 0.484 558 K N 0.000 120.408 120.400 0.014 0.000 2.780 558 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 558 K CA 0.000 56.294 56.287 0.012 0.000 0.838 558 K CB 0.000 32.506 32.500 0.010 0.000 1.064 558 K HN 0.000 nan 8.250 nan 0.000 0.543