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 1hnv_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 SWTVNDIQKL 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 0.000 177.355 177.300 0.091 0.000 1.155 1 P CA 0.000 63.139 63.100 0.064 0.000 0.800 1 P CB 0.000 31.733 31.700 0.055 0.000 0.726 2 I N -0.799 119.825 120.570 0.091 0.000 3.195 2 I HA 0.434 4.604 4.170 0.000 0.000 0.313 2 I C -0.415 175.769 176.117 0.111 0.000 1.237 2 I CA -0.819 60.548 61.300 0.111 0.000 0.963 2 I CB 1.946 40.003 38.000 0.095 0.000 1.278 2 I HN 0.435 nan 8.210 nan 0.000 0.460 3 S N 2.094 117.873 115.700 0.130 0.000 2.525 3 S HA 0.505 4.975 4.470 0.000 0.000 0.290 3 S C -2.303 172.383 174.600 0.144 0.000 1.152 3 S CA -1.333 56.965 58.200 0.164 0.000 1.072 3 S CB 1.426 64.731 63.200 0.176 0.000 1.027 3 S HN 0.320 nan 8.310 nan 0.000 0.500 4 P HA 0.234 nan 4.420 nan 0.000 0.259 4 P C -0.246 177.157 177.300 0.172 0.000 1.480 4 P CA -0.223 62.932 63.100 0.091 0.000 0.842 4 P CB -0.334 31.342 31.700 -0.040 0.000 1.513 5 I N 0.065 120.759 120.570 0.205 0.000 2.575 5 I HA 0.044 4.214 4.170 0.000 0.000 0.285 5 I C 0.644 176.819 176.117 0.096 0.000 1.085 5 I CA -0.867 60.540 61.300 0.178 0.000 1.403 5 I CB 0.138 38.192 38.000 0.091 0.000 1.409 5 I HN -0.096 nan 8.210 nan 0.000 0.557 6 E N 4.396 124.649 120.200 0.088 0.000 2.729 6 E HA -0.095 4.255 4.350 0.000 0.000 0.246 6 E C -0.035 176.584 176.600 0.032 0.000 0.984 6 E CA 0.311 56.743 56.400 0.054 0.000 0.951 6 E CB 0.243 29.969 29.700 0.044 0.000 0.914 6 E HN 0.689 nan 8.360 nan 0.000 0.509 7 T N 2.299 116.871 114.554 0.031 0.000 2.856 7 T HA 0.123 4.473 4.350 0.000 0.000 0.306 7 T C -0.308 174.404 174.700 0.021 0.000 1.062 7 T CA -0.590 61.524 62.100 0.022 0.000 1.083 7 T CB 0.635 69.517 68.868 0.022 0.000 0.984 7 T HN 0.135 nan 8.240 nan 0.000 0.542 8 V N 6.927 126.853 119.914 0.019 0.000 2.417 8 V HA 0.426 4.546 4.120 0.000 0.000 0.291 8 V C -1.913 174.214 176.094 0.055 0.000 1.024 8 V CA -1.732 60.588 62.300 0.032 0.000 0.861 8 V CB 1.707 33.543 31.823 0.021 0.000 0.985 8 V HN 0.832 nan 8.190 nan 0.000 0.436 9 P HA 0.237 nan 4.420 nan 0.000 0.271 9 P C -0.930 176.461 177.300 0.152 0.000 1.226 9 P CA 0.185 63.345 63.100 0.100 0.000 0.765 9 P CB 1.383 33.134 31.700 0.085 0.000 0.835 10 V N 3.886 123.901 119.914 0.169 0.000 2.962 10 V HA 0.596 4.716 4.120 0.000 0.000 0.313 10 V C -0.132 176.184 176.094 0.370 0.000 1.099 10 V CA -0.594 61.832 62.300 0.210 0.000 0.971 10 V CB 2.366 34.171 31.823 -0.031 0.000 1.028 10 V HN 0.461 nan 8.190 nan 0.000 0.430 11 K N 1.866 122.520 120.400 0.424 0.000 2.523 11 K HA 0.644 4.964 4.320 0.000 0.000 0.257 11 K C -1.120 175.780 176.600 0.499 0.000 0.932 11 K CA -0.471 56.121 56.287 0.508 0.000 0.812 11 K CB 1.792 34.444 32.500 0.254 0.000 1.326 11 K HN 0.580 nan 8.250 nan 0.000 0.433 12 L N 2.970 124.432 121.223 0.397 0.000 2.476 12 L HA 0.198 4.538 4.340 0.000 0.000 0.264 12 L C 0.617 177.521 176.870 0.057 0.000 1.224 12 L CA -0.147 54.781 54.840 0.146 0.000 0.821 12 L CB 0.336 42.251 42.059 -0.240 0.000 1.101 12 L HN 0.501 nan 8.230 nan 0.000 0.488 13 K N 1.404 121.808 120.400 0.007 0.000 2.440 13 K HA 0.099 4.419 4.320 0.000 0.000 0.270 13 K C -2.242 174.346 176.600 -0.020 0.000 0.980 13 K CA -1.402 54.876 56.287 -0.015 0.000 0.953 13 K CB -0.296 32.188 32.500 -0.026 0.000 0.925 13 K HN 0.268 nan 8.250 nan 0.000 0.497 14 P HA -0.082 nan 4.420 nan 0.000 0.262 14 P C 0.339 177.629 177.300 -0.016 0.000 1.182 14 P CA 0.862 63.956 63.100 -0.009 0.000 0.761 14 P CB 0.310 32.005 31.700 -0.009 0.000 0.795 15 G N 2.115 110.907 108.800 -0.014 0.000 2.225 15 G HA2 -0.246 3.715 3.960 0.000 0.000 0.267 15 G HA3 -0.246 3.715 3.960 0.000 0.000 0.267 15 G C 0.124 175.006 174.900 -0.031 0.000 1.024 15 G CA -0.133 44.958 45.100 -0.016 0.000 0.784 15 G HN 0.380 nan 8.290 nan 0.000 0.507 16 M N -1.128 118.439 119.600 -0.054 0.000 2.861 16 M HA 0.730 5.210 4.480 0.000 0.000 0.294 16 M C -0.497 175.711 176.300 -0.152 0.000 1.185 16 M CA -0.611 54.634 55.300 -0.092 0.000 0.809 16 M CB 1.767 34.306 32.600 -0.102 0.000 1.722 16 M HN 0.094 nan 8.290 nan 0.000 0.496 17 D N -0.951 119.313 120.400 -0.227 0.000 2.717 17 D HA 0.456 5.096 4.640 0.000 0.000 0.223 17 D C -0.580 175.375 176.300 -0.574 0.000 1.240 17 D CA 0.005 53.800 54.000 -0.343 0.000 0.801 17 D CB 1.744 42.489 40.800 -0.091 0.000 1.556 17 D HN 0.736 nan 8.370 nan 0.000 0.462 18 G N 2.084 110.148 108.800 -1.226 0.000 2.287 18 G HA2 0.253 4.213 3.960 0.000 0.000 0.235 18 G HA3 0.253 4.213 3.960 0.000 0.000 0.235 18 G C -2.139 172.453 174.900 -0.513 0.000 1.258 18 G CA -0.589 43.650 45.100 -1.435 0.000 0.884 18 G HN 0.313 nan 8.290 nan 0.000 0.518 19 P HA 0.222 nan 4.420 nan 0.000 0.271 19 P C -0.469 176.916 177.300 0.140 0.000 1.218 19 P CA -0.259 62.846 63.100 0.008 0.000 0.780 19 P CB 1.218 32.936 31.700 0.030 0.000 0.901 20 K N 0.809 121.283 120.400 0.124 0.000 2.618 20 K HA 0.200 4.520 4.320 0.000 0.000 0.207 20 K C -0.315 176.332 176.600 0.079 0.000 1.058 20 K CA -0.247 56.114 56.287 0.124 0.000 1.086 20 K CB -0.169 32.395 32.500 0.106 0.000 0.827 20 K HN 0.124 nan 8.250 nan 0.000 0.481 21 V N 2.358 122.314 119.914 0.070 0.000 2.416 21 V HA -0.043 4.077 4.120 0.000 0.000 0.260 21 V C 0.648 176.767 176.094 0.042 0.000 1.018 21 V CA 0.116 62.447 62.300 0.053 0.000 1.120 21 V CB -0.495 31.350 31.823 0.037 0.000 1.081 21 V HN 0.185 nan 8.190 nan 0.000 0.474 22 K N 3.826 124.250 120.400 0.040 0.000 2.180 22 K HA 0.275 4.595 4.320 0.000 0.000 0.251 22 K C 0.018 176.635 176.600 0.028 0.000 1.014 22 K CA 0.005 56.304 56.287 0.020 0.000 0.913 22 K CB 0.519 33.013 32.500 -0.009 0.000 1.008 22 K HN 0.732 nan 8.250 nan 0.000 0.490 23 Q N 1.112 120.919 119.800 0.013 0.000 2.348 23 Q HA 0.255 4.595 4.340 0.000 0.000 0.271 23 Q C -1.109 174.925 176.000 0.056 0.000 1.067 23 Q CA -0.826 55.019 55.803 0.070 0.000 0.839 23 Q CB 0.785 29.549 28.738 0.043 0.000 1.354 23 Q HN 0.552 nan 8.270 nan 0.000 0.447 24 W N 4.500 125.865 121.300 0.109 0.000 2.485 24 W HA 0.195 4.855 4.660 0.000 0.000 0.315 24 W C -1.605 174.972 176.519 0.097 0.000 1.304 24 W CA -1.353 56.054 57.345 0.103 0.000 1.345 24 W CB 0.576 30.108 29.460 0.121 0.000 1.368 24 W HN 0.372 nan 8.180 nan 0.000 0.497 25 P HA -0.150 nan 4.420 nan 0.000 0.212 25 P C 0.072 177.465 177.300 0.155 0.000 1.069 25 P CA 0.153 63.308 63.100 0.091 0.000 1.331 25 P CB -0.259 31.445 31.700 0.007 0.000 1.513 26 L N 2.920 124.244 121.223 0.169 0.000 2.489 26 L HA 0.038 4.378 4.340 0.000 0.000 0.285 26 L C 0.910 177.837 176.870 0.096 0.000 1.259 26 L CA 0.568 55.495 54.840 0.145 0.000 0.828 26 L CB -0.204 41.937 42.059 0.136 0.000 1.094 26 L HN 0.221 nan 8.230 nan 0.000 0.524 27 T N 1.942 116.539 114.554 0.073 0.000 2.905 27 T HA -0.015 4.335 4.350 0.000 0.000 0.299 27 T C 1.344 176.070 174.700 0.044 0.000 1.024 27 T CA 0.516 62.647 62.100 0.051 0.000 1.151 27 T CB 0.080 68.968 68.868 0.033 0.000 0.987 27 T HN 0.850 nan 8.240 nan 0.000 0.535 28 E N 3.604 123.827 120.200 0.039 0.000 2.187 28 E HA -0.296 4.055 4.350 0.000 0.000 0.199 28 E C 1.647 178.263 176.600 0.026 0.000 1.004 28 E CA 1.757 58.177 56.400 0.032 0.000 0.813 28 E CB -0.302 29.415 29.700 0.028 0.000 0.736 28 E HN 0.948 nan 8.360 nan 0.000 0.468 29 E N 1.860 122.074 120.200 0.023 0.000 2.007 29 E HA -0.221 4.129 4.350 0.000 0.000 0.203 29 E C 1.919 178.528 176.600 0.015 0.000 1.020 29 E CA 1.340 57.751 56.400 0.017 0.000 0.845 29 E CB -0.016 29.692 29.700 0.014 0.000 0.779 29 E HN 0.094 nan 8.360 nan 0.000 0.466 30 K N 0.222 120.631 120.400 0.016 0.000 2.515 30 K HA -0.026 4.295 4.320 0.000 0.000 0.196 30 K C 2.064 178.673 176.600 0.015 0.000 1.038 30 K CA 0.317 56.612 56.287 0.013 0.000 0.967 30 K CB -0.074 32.434 32.500 0.013 0.000 0.780 30 K HN 0.403 nan 8.250 nan 0.000 0.483 31 I N 0.812 121.395 120.570 0.023 0.000 2.614 31 I HA -0.249 3.921 4.170 0.000 0.000 0.258 31 I C 2.142 178.268 176.117 0.016 0.000 1.189 31 I CA 1.092 62.406 61.300 0.024 0.000 1.462 31 I CB 0.081 38.102 38.000 0.035 0.000 1.092 31 I HN 0.138 nan 8.210 nan 0.000 0.442 32 K N 0.544 120.953 120.400 0.014 0.000 2.031 32 K HA -0.083 4.237 4.320 0.000 0.000 0.205 32 K C 2.233 178.835 176.600 0.003 0.000 1.049 32 K CA 1.299 57.593 56.287 0.013 0.000 0.939 32 K CB -0.169 32.339 32.500 0.013 0.000 0.717 32 K HN 0.247 nan 8.250 nan 0.000 0.438 33 A N 1.593 124.412 122.820 -0.002 0.000 1.940 33 A HA -0.174 4.146 4.320 0.000 0.000 0.219 33 A C 2.072 179.638 177.584 -0.030 0.000 1.176 33 A CA 1.335 53.365 52.037 -0.011 0.000 0.631 33 A CB -0.769 18.226 19.000 -0.008 0.000 0.814 33 A HN 0.204 nan 8.150 nan 0.000 0.446 34 L N -0.436 120.763 121.223 -0.039 0.000 2.081 34 L HA -0.222 4.118 4.340 0.000 0.000 0.212 34 L C 2.496 179.306 176.870 -0.100 0.000 1.080 34 L CA 1.462 56.249 54.840 -0.087 0.000 0.754 34 L CB -0.799 41.206 42.059 -0.091 0.000 0.893 34 L HN 0.327 nan 8.230 nan 0.000 0.433 35 V N -0.029 119.858 119.914 -0.044 0.000 2.232 35 V HA -0.223 3.897 4.120 0.000 0.000 0.239 35 V C 2.945 179.029 176.094 -0.018 0.000 1.040 35 V CA 2.143 64.433 62.300 -0.017 0.000 0.996 35 V CB -1.363 30.477 31.823 0.029 0.000 0.638 35 V HN 0.521 nan 8.190 nan 0.000 0.453 36 E N 0.039 120.237 120.200 -0.003 0.000 2.233 36 E HA -0.274 4.077 4.350 0.000 0.000 0.199 36 E C 1.847 178.440 176.600 -0.012 0.000 1.004 36 E CA 2.259 58.659 56.400 0.001 0.000 0.819 36 E CB -0.854 28.848 29.700 0.003 0.000 0.738 36 E HN 0.713 nan 8.360 nan 0.000 0.478 37 I N -0.775 119.776 120.570 -0.032 0.000 2.339 37 I HA -0.150 4.020 4.170 0.000 0.000 0.245 37 I C 2.659 178.745 176.117 -0.052 0.000 1.096 37 I CA 0.717 61.994 61.300 -0.038 0.000 1.408 37 I CB -0.226 37.748 38.000 -0.044 0.000 1.092 37 I HN 0.370 nan 8.210 nan 0.000 0.423 38 C N 0.607 119.844 119.300 -0.104 0.000 2.413 38 C HA -0.178 4.283 4.460 0.000 0.000 0.276 38 C C 3.065 178.014 174.990 -0.068 0.000 1.248 38 C CA 1.611 60.526 59.018 -0.173 0.000 1.742 38 C CB -1.012 26.486 27.740 -0.403 0.000 2.017 38 C HN 0.508 nan 8.230 nan 0.000 0.481 39 T N 0.185 114.742 114.554 0.006 0.000 2.607 39 T HA -0.219 4.131 4.350 0.000 0.000 0.267 39 T C 1.696 176.434 174.700 0.063 0.000 1.049 39 T CA 2.081 64.229 62.100 0.081 0.000 1.162 39 T CB -0.348 68.563 68.868 0.073 0.000 0.863 39 T HN 0.553 nan 8.240 nan 0.000 0.424 40 E N 0.622 120.841 120.200 0.033 0.000 2.058 40 E HA -0.113 4.237 4.350 0.000 0.000 0.194 40 E C 2.115 178.736 176.600 0.035 0.000 0.997 40 E CA 1.331 57.748 56.400 0.028 0.000 0.801 40 E CB -0.379 29.327 29.700 0.010 0.000 0.746 40 E HN 0.442 nan 8.360 nan 0.000 0.450 41 M N 0.219 119.836 119.600 0.028 0.000 2.108 41 M HA -0.215 4.265 4.480 0.000 0.000 0.261 41 M C 2.231 178.575 176.300 0.074 0.000 1.066 41 M CA 1.993 57.322 55.300 0.049 0.000 1.107 41 M CB -0.129 32.496 32.600 0.041 0.000 1.356 41 M HN 0.181 nan 8.290 nan 0.000 0.406 42 E N 0.121 120.374 120.200 0.089 0.000 2.047 42 E HA -0.268 4.083 4.350 0.000 0.000 0.191 42 E C 1.961 178.621 176.600 0.099 0.000 0.987 42 E CA 1.241 57.724 56.400 0.139 0.000 0.799 42 E CB -0.230 29.637 29.700 0.277 0.000 0.752 42 E HN 0.471 nan 8.360 nan 0.000 0.449 43 K N 0.238 120.688 120.400 0.083 0.000 2.209 43 K HA -0.142 4.179 4.320 0.000 0.000 0.204 43 K C 1.503 178.135 176.600 0.053 0.000 1.048 43 K CA 1.180 57.504 56.287 0.061 0.000 0.940 43 K CB 0.135 32.665 32.500 0.050 0.000 0.729 43 K HN 0.067 nan 8.250 nan 0.000 0.451 44 E N -0.553 119.683 120.200 0.059 0.000 2.418 44 E HA -0.039 4.311 4.350 0.000 0.000 0.197 44 E C 1.212 177.856 176.600 0.073 0.000 1.026 44 E CA 0.952 57.389 56.400 0.061 0.000 0.862 44 E CB 0.134 29.873 29.700 0.065 0.000 0.799 44 E HN 0.589 nan 8.360 nan 0.000 0.518 45 G N 1.084 109.928 108.800 0.074 0.000 2.159 45 G HA2 -0.315 3.645 3.960 0.000 0.000 0.227 45 G HA3 -0.315 3.645 3.960 0.000 0.000 0.227 45 G C 1.047 175.997 174.900 0.083 0.000 0.986 45 G CA 0.478 45.620 45.100 0.070 0.000 0.651 45 G HN 0.299 nan 8.290 nan 0.000 0.523 46 K N -0.427 120.036 120.400 0.104 0.000 2.243 46 K HA 0.411 4.731 4.320 0.000 0.000 0.201 46 K C 1.046 177.647 176.600 0.002 0.000 1.051 46 K CA 0.956 57.311 56.287 0.113 0.000 0.970 46 K CB 0.225 32.869 32.500 0.240 0.000 0.755 46 K HN 0.605 nan 8.250 nan 0.000 0.465 47 I N -1.005 119.574 120.570 0.014 0.000 2.828 47 I HA 0.248 4.418 4.170 0.000 0.000 0.302 47 I C -0.873 175.297 176.117 0.088 0.000 1.101 47 I CA -0.932 60.366 61.300 -0.003 0.000 1.031 47 I CB 2.570 40.611 38.000 0.067 0.000 1.231 47 I HN -0.333 nan 8.210 nan 0.000 0.427 48 S N 2.669 118.393 115.700 0.041 0.000 2.746 48 S HA 0.225 4.695 4.470 0.000 0.000 0.273 48 S C -0.691 173.820 174.600 -0.149 0.000 1.172 48 S CA -0.910 57.275 58.200 -0.026 0.000 1.116 48 S CB 0.881 64.058 63.200 -0.038 0.000 1.057 48 S HN 0.614 nan 8.310 nan 0.000 0.483 49 K N 2.894 123.072 120.400 -0.371 0.000 2.437 49 K HA 0.228 4.548 4.320 0.000 0.000 0.277 49 K C -0.623 175.767 176.600 -0.350 0.000 1.073 49 K CA 0.579 56.445 56.287 -0.701 0.000 1.105 49 K CB -0.136 31.711 32.500 -1.087 0.000 0.881 49 K HN 0.490 nan 8.250 nan 0.000 0.475 50 I N 3.215 123.624 120.570 -0.269 0.000 2.563 50 I HA 0.169 4.339 4.170 0.000 0.000 0.285 50 I C 0.423 176.461 176.117 -0.132 0.000 1.123 50 I CA -0.766 60.435 61.300 -0.165 0.000 1.059 50 I CB 2.222 40.150 38.000 -0.121 0.000 1.229 50 I HN 0.974 nan 8.210 nan 0.000 0.442 51 G N 5.897 114.631 108.800 -0.109 0.000 2.944 51 G HA2 0.195 4.155 3.960 0.000 0.000 0.220 51 G HA3 0.195 4.155 3.960 0.000 0.000 0.220 51 G C -0.824 174.040 174.900 -0.060 0.000 1.100 51 G CA 0.220 45.276 45.100 -0.073 0.000 0.780 51 G HN 0.438 nan 8.290 nan 0.000 0.539 52 P HA 0.036 nan 4.420 nan 0.000 0.204 52 P C 0.109 177.370 177.300 -0.065 0.000 1.215 52 P CA 0.789 63.855 63.100 -0.058 0.000 0.908 52 P CB -0.142 31.526 31.700 -0.054 0.000 0.738 53 E N 0.948 121.108 120.200 -0.066 0.000 2.467 53 E HA 0.229 4.579 4.350 0.000 0.000 0.321 53 E C 0.112 176.659 176.600 -0.088 0.000 1.388 53 E CA -0.005 56.351 56.400 -0.073 0.000 1.508 53 E CB -1.232 28.432 29.700 -0.059 0.000 1.250 53 E HN 0.121 nan 8.360 nan 0.000 0.500 54 N N 1.234 119.870 118.700 -0.107 0.000 3.111 54 N HA 0.100 4.840 4.740 0.000 0.000 0.200 54 N C -2.444 172.974 175.510 -0.154 0.000 1.464 54 N CA -1.270 51.708 53.050 -0.121 0.000 0.758 54 N CB 0.894 39.352 38.487 -0.049 0.000 1.548 54 N HN -0.063 nan 8.380 nan 0.000 0.595 55 P HA 0.005 nan 4.420 nan 0.000 0.225 55 P C -0.103 177.074 177.300 -0.205 0.000 1.148 55 P CA 0.928 63.867 63.100 -0.268 0.000 0.779 55 P CB -0.064 31.423 31.700 -0.355 0.000 0.780 56 Y N 0.289 120.614 120.300 0.042 0.000 2.457 56 Y HA 0.315 4.865 4.550 0.000 0.000 0.341 56 Y C 1.079 177.012 175.900 0.056 0.000 1.240 56 Y CA -0.116 58.018 58.100 0.056 0.000 1.437 56 Y CB -0.216 38.304 38.460 0.099 0.000 1.328 56 Y HN -0.119 nan 8.280 nan 0.000 0.588 57 N N -0.764 118.081 118.700 0.241 0.000 2.647 57 N HA 0.397 5.137 4.740 0.000 0.000 0.259 57 N C -1.793 173.796 175.510 0.131 0.000 1.098 57 N CA -0.488 52.659 53.050 0.163 0.000 0.984 57 N CB 1.246 39.799 38.487 0.109 0.000 1.683 57 N HN 0.592 nan 8.380 nan 0.000 0.501 58 T N 0.947 115.574 114.554 0.121 0.000 2.942 58 T HA 0.660 5.010 4.350 0.000 0.000 0.289 58 T C -2.863 171.808 174.700 -0.048 0.000 1.044 58 T CA -1.533 60.582 62.100 0.026 0.000 1.023 58 T CB 2.025 70.886 68.868 -0.013 0.000 1.123 58 T HN 0.351 nan 8.240 nan 0.000 0.512 59 P HA 0.354 nan 4.420 nan 0.000 0.293 59 P C -0.742 176.239 177.300 -0.530 0.000 1.300 59 P CA -0.469 62.421 63.100 -0.349 0.000 0.792 59 P CB 0.759 32.165 31.700 -0.491 0.000 0.925 60 V N 4.811 124.523 119.914 -0.337 0.000 2.498 60 V HA 0.324 4.444 4.120 0.000 0.000 0.279 60 V C 0.347 176.361 176.094 -0.133 0.000 1.048 60 V CA 0.056 62.183 62.300 -0.287 0.000 0.967 60 V CB -0.390 31.306 31.823 -0.210 0.000 0.988 60 V HN 0.379 nan 8.190 nan 0.000 0.473 61 F N 1.580 121.475 119.950 -0.091 0.000 2.618 61 F HA 0.935 5.462 4.527 0.000 0.000 0.332 61 F C 0.290 176.054 175.800 -0.059 0.000 1.061 61 F CA -1.343 56.625 58.000 -0.053 0.000 0.974 61 F CB 2.068 41.044 39.000 -0.040 0.000 1.310 61 F HN 0.685 nan 8.300 nan 0.000 0.491 62 A N 2.054 124.970 122.820 0.160 0.000 2.577 62 A HA 0.775 5.095 4.320 0.000 0.000 0.297 62 A C -1.629 175.966 177.584 0.019 0.000 1.060 62 A CA -0.472 51.601 52.037 0.060 0.000 0.697 62 A CB 1.739 20.759 19.000 0.033 0.000 1.281 62 A HN 0.790 nan 8.150 nan 0.000 0.402 63 I N 0.450 121.026 120.570 0.011 0.000 2.600 63 I HA 0.343 4.513 4.170 0.000 0.000 0.309 63 I C -1.837 174.280 176.117 0.001 0.000 1.966 63 I CA -0.689 60.609 61.300 -0.004 0.000 0.925 63 I CB 2.186 40.173 38.000 -0.022 0.000 1.481 63 I HN 0.967 nan 8.210 nan 0.000 0.652 64 K N 2.983 123.382 120.400 -0.003 0.000 2.267 64 K HA 0.860 5.180 4.320 0.000 0.000 0.246 64 K C -1.407 175.193 176.600 -0.001 0.000 0.954 64 K CA -0.672 55.615 56.287 0.000 0.000 0.824 64 K CB 2.522 35.022 32.500 -0.001 0.000 1.167 64 K HN 0.543 nan 8.250 nan 0.000 0.431 65 K N -2.101 118.301 120.400 0.004 0.000 2.809 65 K HA 0.420 4.740 4.320 0.000 0.000 0.293 65 K C -1.369 175.237 176.600 0.009 0.000 1.061 65 K CA -0.374 55.915 56.287 0.004 0.000 0.837 65 K CB -0.280 32.222 32.500 0.003 0.000 1.524 65 K HN 0.806 nan 8.250 nan 0.000 0.370 66 K N 1.430 121.835 120.400 0.009 0.000 3.939 66 K HA -0.042 4.278 4.320 0.000 0.000 0.281 66 K C 0.349 176.957 176.600 0.014 0.000 0.981 66 K CA 1.783 58.078 56.287 0.013 0.000 0.833 66 K CB -2.796 29.715 32.500 0.019 0.000 1.501 66 K HN 1.808 nan 8.250 nan 0.000 0.445 67 D N -1.518 118.888 120.400 0.011 0.000 2.735 67 D HA -0.200 4.440 4.640 0.000 0.000 0.235 67 D C -0.166 176.140 176.300 0.010 0.000 1.175 67 D CA 1.324 55.330 54.000 0.010 0.000 0.683 67 D CB -1.923 38.885 40.800 0.012 0.000 1.008 67 D HN 1.974 nan 8.370 nan 0.000 0.416 68 S N -1.223 114.482 115.700 0.008 0.000 2.689 68 S HA 0.720 5.190 4.470 0.000 0.000 0.306 68 S C 0.509 175.111 174.600 0.004 0.000 1.104 68 S CA -0.370 57.834 58.200 0.007 0.000 0.973 68 S CB 2.150 65.354 63.200 0.007 0.000 1.121 68 S HN 0.145 nan 8.310 nan 0.000 0.523 69 T N 0.848 115.404 114.554 0.003 0.000 3.182 69 T HA 0.337 4.688 4.350 0.000 0.000 0.277 69 T C -0.100 174.601 174.700 0.001 0.000 1.013 69 T CA -0.501 61.601 62.100 0.002 0.000 0.900 69 T CB -0.357 68.512 68.868 0.002 0.000 1.098 69 T HN 0.741 nan 8.240 nan 0.000 0.543 70 K N -0.670 119.730 120.400 0.000 0.000 2.533 70 K HA 0.494 4.814 4.320 0.000 0.000 0.284 70 K C -0.845 175.755 176.600 -0.001 0.000 1.025 70 K CA -1.063 55.223 56.287 -0.001 0.000 0.900 70 K CB 0.075 32.573 32.500 -0.004 0.000 1.519 70 K HN 0.140 nan 8.250 nan 0.000 0.432 71 W N -0.333 120.965 121.300 -0.003 0.000 2.184 71 W HA 0.611 5.271 4.660 0.000 0.000 0.338 71 W C 0.367 176.885 176.519 -0.002 0.000 1.257 71 W CA -0.239 57.105 57.345 -0.002 0.000 1.243 71 W CB -0.170 29.288 29.460 -0.004 0.000 1.122 71 W HN 1.036 nan 8.180 nan 0.000 0.585 72 R N 2.344 122.846 120.500 0.004 0.000 2.744 72 R HA 0.662 5.002 4.340 0.000 0.000 0.279 72 R C -0.285 176.025 176.300 0.016 0.000 0.977 72 R CA -0.640 55.466 56.100 0.011 0.000 0.906 72 R CB 1.464 31.775 30.300 0.018 0.000 1.197 72 R HN 0.979 nan 8.270 nan 0.000 0.463 73 K N 1.380 121.794 120.400 0.023 0.000 2.098 73 K HA 0.682 5.002 4.320 0.000 0.000 0.261 73 K C -1.315 175.315 176.600 0.050 0.000 0.987 73 K CA -0.542 55.757 56.287 0.020 0.000 0.916 73 K CB 1.164 33.668 32.500 0.006 0.000 1.039 73 K HN 0.430 nan 8.250 nan 0.000 0.455 74 L N 3.483 124.734 121.223 0.047 0.000 2.431 74 L HA 0.540 4.881 4.340 0.000 0.000 0.266 74 L C -1.858 175.021 176.870 0.014 0.000 0.978 74 L CA -0.589 54.299 54.840 0.080 0.000 0.822 74 L CB 2.192 44.344 42.059 0.154 0.000 1.310 74 L HN 0.424 nan 8.230 nan 0.000 0.409 75 V N 3.654 123.538 119.914 -0.050 0.000 2.775 75 V HA 0.401 4.521 4.120 0.000 0.000 0.295 75 V C -1.782 174.138 176.094 -0.290 0.000 1.226 75 V CA -0.597 61.543 62.300 -0.267 0.000 0.934 75 V CB 2.091 33.715 31.823 -0.332 0.000 1.056 75 V HN 0.751 nan 8.190 nan 0.000 0.436 76 D N 3.229 123.435 120.400 -0.322 0.000 2.505 76 D HA 0.481 5.121 4.640 0.000 0.000 0.250 76 D C 0.193 176.381 176.300 -0.187 0.000 1.164 76 D CA -0.404 53.506 54.000 -0.150 0.000 0.870 76 D CB 1.330 42.138 40.800 0.014 0.000 1.160 76 D HN 0.345 nan 8.370 nan 0.000 0.549 77 F N 2.076 122.053 119.950 0.046 0.000 2.772 77 F HA 0.074 4.601 4.527 0.000 0.000 0.302 77 F C 2.295 178.150 175.800 0.092 0.000 1.225 77 F CA -0.241 57.812 58.000 0.088 0.000 1.429 77 F CB -0.021 39.084 39.000 0.174 0.000 1.104 77 F HN 0.194 nan 8.300 nan 0.000 0.550 78 R N 0.890 121.497 120.500 0.179 0.000 2.178 78 R HA -0.259 4.081 4.340 0.000 0.000 0.257 78 R C 2.115 178.487 176.300 0.120 0.000 1.163 78 R CA 1.735 57.913 56.100 0.131 0.000 0.981 78 R CB -0.465 29.885 30.300 0.083 0.000 0.878 78 R HN 0.316 nan 8.270 nan 0.000 0.454 79 E N 0.147 120.413 120.200 0.110 0.000 2.072 79 E HA -0.098 4.252 4.350 0.000 0.000 0.190 79 E C 1.861 178.526 176.600 0.107 0.000 0.982 79 E CA 0.640 57.092 56.400 0.086 0.000 0.803 79 E CB -0.367 29.370 29.700 0.062 0.000 0.755 79 E HN 0.177 nan 8.360 nan 0.000 0.453 80 L N 0.960 122.294 121.223 0.185 0.000 2.046 80 L HA -0.112 4.228 4.340 0.000 0.000 0.208 80 L C 1.530 178.569 176.870 0.282 0.000 1.077 80 L CA 1.784 56.764 54.840 0.234 0.000 0.747 80 L CB -0.777 41.520 42.059 0.397 0.000 0.896 80 L HN 0.102 nan 8.230 nan 0.000 0.432 81 N N -0.127 118.743 118.700 0.284 0.000 2.272 81 N HA -0.168 4.572 4.740 0.000 0.000 0.185 81 N C 1.648 177.218 175.510 0.100 0.000 1.014 81 N CA 0.955 54.114 53.050 0.182 0.000 0.870 81 N CB -0.169 38.396 38.487 0.130 0.000 0.975 81 N HN 0.366 nan 8.380 nan 0.000 0.433 82 K N 0.676 121.129 120.400 0.088 0.000 2.167 82 K HA 0.070 4.390 4.320 0.000 0.000 0.203 82 K C 1.633 178.251 176.600 0.030 0.000 1.052 82 K CA 0.552 56.865 56.287 0.044 0.000 0.956 82 K CB 0.009 32.529 32.500 0.035 0.000 0.735 82 K HN 0.042 nan 8.250 nan 0.000 0.451 83 R N 0.327 120.849 120.500 0.037 0.000 2.310 83 R HA 0.102 4.442 4.340 0.000 0.000 0.202 83 R C 0.274 176.604 176.300 0.049 0.000 0.933 83 R CA 0.201 56.297 56.100 -0.007 0.000 1.054 83 R CB 0.226 30.468 30.300 -0.097 0.000 0.985 83 R HN -0.030 nan 8.270 nan 0.000 0.489 84 T N 0.906 115.545 114.554 0.142 0.000 2.918 84 T HA 0.143 4.493 4.350 0.000 0.000 0.283 84 T C 0.082 174.788 174.700 0.010 0.000 1.001 84 T CA -0.710 61.535 62.100 0.242 0.000 1.041 84 T CB 1.337 70.447 68.868 0.404 0.000 1.028 84 T HN 0.218 nan 8.240 nan 0.000 0.511 85 Q N 1.084 120.813 119.800 -0.118 0.000 2.500 85 Q HA 0.241 4.581 4.340 0.000 0.000 0.215 85 Q C -1.153 174.495 176.000 -0.586 0.000 1.062 85 Q CA -0.600 55.004 55.803 -0.333 0.000 0.996 85 Q CB 0.405 28.909 28.738 -0.389 0.000 1.239 85 Q HN 0.373 nan 8.270 nan 0.000 0.578 86 D N 0.762 120.888 120.400 -0.456 0.000 2.232 86 D HA 0.341 4.981 4.640 0.000 0.000 0.242 86 D C -0.855 175.174 176.300 -0.452 0.000 1.093 86 D CA -0.171 53.615 54.000 -0.356 0.000 0.845 86 D CB 0.538 41.254 40.800 -0.139 0.000 1.124 86 D HN 0.313 nan 8.370 nan 0.000 0.467 87 F N 0.114 120.051 119.950 -0.023 0.000 2.403 87 F HA 0.328 4.855 4.527 0.000 0.000 0.326 87 F C 0.973 176.870 175.800 0.162 0.000 1.099 87 F CA -1.140 56.876 58.000 0.027 0.000 1.036 87 F CB 0.518 39.485 39.000 -0.054 0.000 1.336 87 F HN 0.282 nan 8.300 nan 0.000 0.497 88 W N 1.869 123.254 121.300 0.142 0.000 2.193 88 W HA 0.050 4.710 4.660 0.000 0.000 0.338 88 W C 0.276 176.819 176.519 0.040 0.000 1.310 88 W CA -0.557 56.821 57.345 0.054 0.000 1.243 88 W CB 0.481 29.961 29.460 0.035 0.000 1.165 88 W HN 0.486 nan 8.180 nan 0.000 0.566 89 E N 5.354 125.255 120.200 -0.498 0.000 1.842 89 E HA 0.015 4.366 4.350 0.000 0.000 0.278 89 E C 1.440 177.590 176.600 -0.750 0.000 1.171 89 E CA -0.245 55.797 56.400 -0.597 0.000 1.127 89 E CB -0.007 29.353 29.700 -0.566 0.000 1.100 89 E HN 0.561 nan 8.360 nan 0.000 0.456 90 V N 2.135 121.799 119.914 -0.416 0.000 2.355 90 V HA -0.342 3.778 4.120 0.000 0.000 0.240 90 V C 0.825 176.733 176.094 -0.309 0.000 1.018 90 V CA 1.809 63.941 62.300 -0.281 0.000 1.109 90 V CB -0.730 30.995 31.823 -0.163 0.000 0.832 90 V HN 0.573 nan 8.190 nan 0.000 0.495 91 Q N 0.285 119.946 119.800 -0.231 0.000 2.771 91 Q HA 0.533 4.873 4.340 0.000 0.000 0.247 91 Q C -0.523 175.403 176.000 -0.123 0.000 0.986 91 Q CA -0.396 55.319 55.803 -0.148 0.000 0.713 91 Q CB 1.048 29.767 28.738 -0.032 0.000 1.241 91 Q HN 0.667 nan 8.270 nan 0.000 0.488 92 L N 1.022 122.126 121.223 -0.199 0.000 2.922 92 L HA 0.600 4.941 4.340 0.000 0.000 0.244 92 L C -0.126 176.705 176.870 -0.064 0.000 1.324 92 L CA 0.373 55.122 54.840 -0.151 0.000 1.172 92 L CB -0.035 41.883 42.059 -0.234 0.000 1.545 92 L HN 0.472 nan 8.230 nan 0.000 0.438 93 G N 1.108 109.904 108.800 -0.006 0.000 1.834 93 G HA2 0.296 4.256 3.960 0.000 0.000 0.247 93 G HA3 0.296 4.256 3.960 0.000 0.000 0.247 93 G C -0.944 174.026 174.900 0.116 0.000 1.691 93 G CA -0.447 44.676 45.100 0.039 0.000 0.922 93 G HN 0.439 nan 8.290 nan 0.000 0.682 94 I N 0.636 121.298 120.570 0.153 0.000 2.677 94 I HA 0.803 4.973 4.170 0.000 0.000 0.305 94 I C -1.942 174.266 176.117 0.151 0.000 0.988 94 I CA -2.248 59.204 61.300 0.254 0.000 1.260 94 I CB 0.729 38.866 38.000 0.228 0.000 1.410 94 I HN 0.215 nan 8.210 nan 0.000 0.523 95 P HA 0.300 nan 4.420 nan 0.000 0.278 95 P C -1.494 175.766 177.300 -0.067 0.000 1.258 95 P CA -0.225 62.834 63.100 -0.070 0.000 0.811 95 P CB 0.461 31.973 31.700 -0.313 0.000 1.063 96 H N 0.793 119.697 119.070 -0.277 0.000 2.551 96 H HA 0.310 4.867 4.556 0.000 0.000 0.321 96 H C -1.911 173.103 175.328 -0.523 0.000 1.028 96 H CA -2.098 53.717 56.048 -0.389 0.000 1.215 96 H CB 0.991 30.543 29.762 -0.351 0.000 1.414 96 H HN 0.192 nan 8.280 nan 0.000 0.480 97 P HA -0.310 nan 4.420 nan 0.000 0.222 97 P C 0.886 177.556 177.300 -1.051 0.000 1.154 97 P CA 2.502 64.930 63.100 -1.119 0.000 0.874 97 P CB 0.089 30.983 31.700 -1.343 0.000 0.787 98 A N -1.272 120.737 122.820 -1.352 0.000 2.259 98 A HA 0.043 4.363 4.320 0.000 0.000 0.212 98 A C 2.144 179.841 177.584 0.188 0.000 1.178 98 A CA 1.650 53.482 52.037 -0.341 0.000 0.734 98 A CB -1.303 17.804 19.000 0.179 0.000 0.774 98 A HN 0.350 nan 8.150 nan 0.000 0.481 99 G N -1.037 107.719 108.800 -0.073 0.000 2.784 99 G HA2 0.333 4.293 3.960 0.000 0.000 0.208 99 G HA3 0.333 4.293 3.960 0.000 0.000 0.208 99 G C 0.663 175.618 174.900 0.092 0.000 1.120 99 G CA -0.295 44.812 45.100 0.012 0.000 0.774 99 G HN 0.367 nan 8.290 nan 0.000 0.528 100 L N 0.288 121.462 121.223 -0.082 0.000 2.456 100 L HA 0.259 4.599 4.340 0.000 0.000 0.266 100 L C 0.421 177.226 176.870 -0.109 0.000 1.258 100 L CA 0.374 55.085 54.840 -0.214 0.000 0.823 100 L CB 0.238 41.981 42.059 -0.526 0.000 1.100 100 L HN 0.034 nan 8.230 nan 0.000 0.531 101 K N 0.290 120.565 120.400 -0.208 0.000 2.295 101 K HA 0.363 4.683 4.320 0.000 0.000 0.239 101 K C -0.937 175.544 176.600 -0.199 0.000 0.991 101 K CA -1.032 55.205 56.287 -0.083 0.000 0.845 101 K CB 1.953 34.429 32.500 -0.040 0.000 1.197 101 K HN 0.421 nan 8.250 nan 0.000 0.441 102 K N 1.817 122.226 120.400 0.014 0.000 2.276 102 K HA 0.215 4.535 4.320 0.000 0.000 0.283 102 K C -0.509 176.109 176.600 0.030 0.000 1.044 102 K CA -0.365 55.975 56.287 0.088 0.000 0.944 102 K CB 0.742 33.379 32.500 0.229 0.000 1.012 102 K HN 0.198 nan 8.250 nan 0.000 0.472 103 K N 2.945 123.361 120.400 0.027 0.000 2.352 103 K HA 0.273 4.593 4.320 0.000 0.000 0.240 103 K C 0.339 176.965 176.600 0.044 0.000 1.017 103 K CA -0.879 55.423 56.287 0.025 0.000 0.851 103 K CB 1.504 34.008 32.500 0.006 0.000 1.261 103 K HN 0.555 nan 8.250 nan 0.000 0.451 104 K N 0.297 120.714 120.400 0.028 0.000 2.021 104 K HA 0.043 4.363 4.320 0.000 0.000 0.205 104 K C 0.896 177.470 176.600 -0.043 0.000 1.047 104 K CA 0.785 57.080 56.287 0.013 0.000 0.943 104 K CB 0.133 32.645 32.500 0.021 0.000 0.725 104 K HN 0.407 nan 8.250 nan 0.000 0.439 105 S N 0.006 115.613 115.700 -0.154 0.000 2.599 105 S HA 0.559 5.029 4.470 0.000 0.000 0.294 105 S C -1.024 173.321 174.600 -0.425 0.000 1.094 105 S CA -0.847 57.112 58.200 -0.401 0.000 0.931 105 S CB 1.613 64.337 63.200 -0.793 0.000 1.093 105 S HN -0.047 nan 8.310 nan 0.000 0.488 106 V N 1.147 120.919 119.914 -0.237 0.000 3.165 106 V HA 0.930 5.050 4.120 0.000 0.000 0.309 106 V C -0.408 175.766 176.094 0.133 0.000 1.267 106 V CA -0.479 61.831 62.300 0.015 0.000 1.067 106 V CB 2.155 34.027 31.823 0.081 0.000 1.082 106 V HN 0.994 nan 8.190 nan 0.000 0.451 107 T N -0.043 114.570 114.554 0.098 0.000 3.033 107 T HA 0.493 4.843 4.350 0.000 0.000 0.362 107 T C -2.216 172.396 174.700 -0.147 0.000 1.723 107 T CA -0.205 61.955 62.100 0.100 0.000 1.110 107 T CB 1.387 70.360 68.868 0.174 0.000 1.515 107 T HN 0.517 nan 8.240 nan 0.000 0.484 108 V N 4.535 124.339 119.914 -0.182 0.000 2.667 108 V HA 0.759 4.879 4.120 0.000 0.000 0.308 108 V C -0.597 175.428 176.094 -0.115 0.000 1.048 108 V CA -0.747 61.334 62.300 -0.364 0.000 0.928 108 V CB 1.733 33.219 31.823 -0.562 0.000 1.004 108 V HN 0.831 nan 8.190 nan 0.000 0.444 109 L N 3.224 124.397 121.223 -0.084 0.000 2.404 109 L HA 0.461 4.801 4.340 0.000 0.000 0.272 109 L C -0.683 176.183 176.870 -0.006 0.000 0.980 109 L CA -0.588 54.236 54.840 -0.026 0.000 0.836 109 L CB 1.839 43.881 42.059 -0.028 0.000 1.238 109 L HN 0.550 nan 8.230 nan 0.000 0.408 110 D N 2.534 122.940 120.400 0.010 0.000 2.401 110 D HA 0.053 4.693 4.640 0.000 0.000 0.254 110 D C -0.065 176.242 176.300 0.012 0.000 1.192 110 D CA 0.022 54.036 54.000 0.024 0.000 0.885 110 D CB 1.513 42.332 40.800 0.031 0.000 1.147 110 D HN 0.183 nan 8.370 nan 0.000 0.478 111 V N 6.207 126.124 119.914 0.006 0.000 2.071 111 V HA 0.282 4.402 4.120 0.000 0.000 0.254 111 V C 1.836 177.916 176.094 -0.024 0.000 1.456 111 V CA 0.200 62.498 62.300 -0.002 0.000 1.383 111 V CB -0.454 31.378 31.823 0.015 0.000 1.433 111 V HN 0.861 nan 8.190 nan 0.000 0.499 112 G N 3.939 112.738 108.800 -0.001 0.000 2.607 112 G HA2 -0.327 3.634 3.960 0.000 0.000 0.664 112 G HA3 -0.327 3.634 3.960 0.000 0.000 0.664 112 G C 0.274 175.170 174.900 -0.006 0.000 1.264 112 G CA 0.855 45.956 45.100 0.001 0.000 0.906 112 G HN 0.618 nan 8.290 nan 0.000 0.599 113 D N 1.262 121.670 120.400 0.013 0.000 3.179 113 D HA 0.543 5.183 4.640 0.000 0.000 0.267 113 D C 1.678 178.087 176.300 0.181 0.000 1.348 113 D CA 0.735 54.782 54.000 0.078 0.000 0.897 113 D CB 0.045 40.781 40.800 -0.106 0.000 1.062 113 D HN 0.675 nan 8.370 nan 0.000 0.494 114 A N 0.012 122.789 122.820 -0.071 0.000 1.957 114 A HA -0.351 3.969 4.320 0.000 0.000 0.224 114 A C 1.592 179.092 177.584 -0.139 0.000 1.287 114 A CA 1.724 53.611 52.037 -0.250 0.000 0.682 114 A CB -1.094 17.313 19.000 -0.989 0.000 0.833 114 A HN 0.466 nan 8.150 nan 0.000 0.482 115 Y N -1.633 118.598 120.300 -0.115 0.000 2.315 115 Y HA -0.164 4.386 4.550 0.000 0.000 0.288 115 Y C 2.099 178.026 175.900 0.045 0.000 1.154 115 Y CA 1.518 59.600 58.100 -0.030 0.000 1.229 115 Y CB -0.636 37.729 38.460 -0.158 0.000 0.980 115 Y HN 0.372 nan 8.280 nan 0.000 0.540 116 F N -0.599 119.487 119.950 0.227 0.000 2.234 116 F HA -0.121 4.406 4.527 0.000 0.000 0.296 116 F C 2.500 178.404 175.800 0.173 0.000 1.089 116 F CA 1.079 59.202 58.000 0.205 0.000 1.343 116 F CB -1.127 37.976 39.000 0.170 0.000 1.040 116 F HN -0.051 nan 8.300 nan 0.000 0.498 117 S N -0.563 115.351 115.700 0.356 0.000 2.584 117 S HA 0.011 4.481 4.470 0.000 0.000 0.240 117 S C 0.548 175.274 174.600 0.209 0.000 0.975 117 S CA 0.146 58.495 58.200 0.249 0.000 0.949 117 S CB -1.168 62.163 63.200 0.219 0.000 0.761 117 S HN -0.016 nan 8.310 nan 0.000 0.536 118 V N 3.584 123.630 119.914 0.221 0.000 2.667 118 V HA 0.533 4.653 4.120 0.000 0.000 0.308 118 V C -2.457 173.706 176.094 0.116 0.000 1.048 118 V CA -2.285 60.107 62.300 0.154 0.000 0.928 118 V CB 1.951 33.876 31.823 0.169 0.000 1.004 118 V HN 0.162 nan 8.190 nan 0.000 0.444 119 P HA 0.372 nan 4.420 nan 0.000 0.300 119 P C -1.014 176.296 177.300 0.015 0.000 1.326 119 P CA -0.565 62.565 63.100 0.050 0.000 0.844 119 P CB 2.078 33.807 31.700 0.049 0.000 0.992 120 L N 3.338 124.550 121.223 -0.019 0.000 2.395 120 L HA 0.247 4.587 4.340 0.000 0.000 0.269 120 L C 0.720 177.563 176.870 -0.045 0.000 1.133 120 L CA -0.052 54.738 54.840 -0.083 0.000 0.812 120 L CB -0.061 41.887 42.059 -0.185 0.000 1.125 120 L HN 0.437 nan 8.230 nan 0.000 0.452 121 D N 2.615 122.990 120.400 -0.042 0.000 2.658 121 D HA -0.176 4.464 4.640 0.000 0.000 0.230 121 D C 0.843 177.150 176.300 0.012 0.000 1.118 121 D CA 0.268 54.272 54.000 0.007 0.000 0.848 121 D CB 0.871 41.694 40.800 0.039 0.000 1.160 121 D HN 0.764 nan 8.370 nan 0.000 0.497 122 E N 3.081 123.287 120.200 0.010 0.000 2.352 122 E HA -0.231 4.119 4.350 0.000 0.000 0.203 122 E C 0.749 177.338 176.600 -0.019 0.000 1.024 122 E CA 1.677 58.076 56.400 -0.003 0.000 0.842 122 E CB 0.222 29.922 29.700 0.001 0.000 0.753 122 E HN 0.491 nan 8.360 nan 0.000 0.508 123 D N -1.604 118.790 120.400 -0.009 0.000 2.490 123 D HA -0.022 4.619 4.640 0.000 0.000 0.244 123 D C 1.347 177.551 176.300 -0.160 0.000 0.979 123 D CA 0.155 54.115 54.000 -0.066 0.000 0.924 123 D CB -0.296 40.485 40.800 -0.033 0.000 1.075 123 D HN 0.215 nan 8.370 nan 0.000 0.488 124 F N 2.852 122.661 119.950 -0.234 0.000 2.236 124 F HA -0.165 4.362 4.527 0.000 0.000 0.302 124 F C 2.301 177.907 175.800 -0.323 0.000 1.073 124 F CA 1.248 59.066 58.000 -0.303 0.000 1.336 124 F CB 0.068 38.987 39.000 -0.136 0.000 1.040 124 F HN -0.168 nan 8.300 nan 0.000 0.507 125 R N 0.608 121.077 120.500 -0.051 0.000 2.178 125 R HA -0.296 4.044 4.340 0.000 0.000 0.257 125 R C 2.211 178.458 176.300 -0.088 0.000 1.163 125 R CA 2.262 58.328 56.100 -0.057 0.000 0.981 125 R CB -0.755 29.519 30.300 -0.044 0.000 0.878 125 R HN 0.439 nan 8.270 nan 0.000 0.454 126 K N -0.079 120.202 120.400 -0.198 0.000 2.009 126 K HA -0.184 4.136 4.320 0.000 0.000 0.210 126 K C 1.475 178.058 176.600 -0.028 0.000 1.049 126 K CA 1.713 57.913 56.287 -0.146 0.000 0.929 126 K CB -0.594 31.778 32.500 -0.213 0.000 0.714 126 K HN 0.155 nan 8.250 nan 0.000 0.440 127 Y N 2.800 123.017 120.300 -0.138 0.000 2.716 127 Y HA -0.054 4.496 4.550 0.000 0.000 0.302 127 Y C 1.030 176.885 175.900 -0.074 0.000 1.160 127 Y CA 0.810 58.751 58.100 -0.265 0.000 1.362 127 Y CB -1.074 36.951 38.460 -0.726 0.000 0.988 127 Y HN 0.257 nan 8.280 nan 0.000 0.546 128 T N -1.684 112.938 114.554 0.114 0.000 3.315 128 T HA 0.765 5.115 4.350 0.000 0.000 0.275 128 T C 0.058 174.920 174.700 0.271 0.000 1.598 128 T CA -0.443 61.796 62.100 0.231 0.000 1.368 128 T CB -0.202 68.725 68.868 0.097 0.000 1.079 128 T HN 0.200 nan 8.240 nan 0.000 0.703 129 A N 2.639 125.594 122.820 0.225 0.000 2.317 129 A HA 0.856 5.176 4.320 0.000 0.000 0.327 129 A C -0.465 177.229 177.584 0.184 0.000 1.178 129 A CA -0.967 51.130 52.037 0.101 0.000 0.817 129 A CB 0.656 19.715 19.000 0.098 0.000 1.189 129 A HN 0.760 nan 8.150 nan 0.000 0.489 130 F N -0.691 119.366 119.950 0.178 0.000 2.603 130 F HA 0.859 5.386 4.527 0.000 0.000 0.317 130 F C -0.357 175.507 175.800 0.107 0.000 1.066 130 F CA -1.316 56.748 58.000 0.106 0.000 0.941 130 F CB 1.447 40.492 39.000 0.075 0.000 1.291 130 F HN 0.293 nan 8.300 nan 0.000 0.472 131 T N 3.161 117.959 114.554 0.406 0.000 2.847 131 T HA 0.626 4.976 4.350 0.000 0.000 0.291 131 T C -0.782 174.038 174.700 0.200 0.000 0.998 131 T CA -0.379 61.892 62.100 0.285 0.000 0.967 131 T CB 0.532 69.490 68.868 0.151 0.000 0.954 131 T HN 0.564 nan 8.240 nan 0.000 0.441 132 I N 6.696 127.401 120.570 0.224 0.000 2.354 132 I HA 0.406 4.576 4.170 0.000 0.000 0.286 132 I C -2.475 173.715 176.117 0.121 0.000 1.007 132 I CA -2.293 59.079 61.300 0.120 0.000 1.167 132 I CB 1.659 39.712 38.000 0.088 0.000 1.320 132 I HN 0.321 nan 8.210 nan 0.000 0.458 133 P HA 0.464 nan 4.420 nan 0.000 0.287 133 P C 0.393 177.725 177.300 0.053 0.000 1.290 133 P CA -0.547 62.590 63.100 0.063 0.000 0.889 133 P CB 1.521 33.247 31.700 0.044 0.000 1.190 134 S N -0.050 115.677 115.700 0.045 0.000 2.425 134 S HA 0.416 4.886 4.470 0.000 0.000 0.225 134 S C 1.009 175.628 174.600 0.031 0.000 1.024 134 S CA 1.828 60.051 58.200 0.039 0.000 0.951 134 S CB -0.716 62.507 63.200 0.037 0.000 0.796 134 S HN 0.579 nan 8.310 nan 0.000 0.498 135 I N -1.805 118.780 120.570 0.026 0.000 3.244 135 I HA 0.672 4.843 4.170 0.000 0.000 0.314 135 I C 0.833 176.962 176.117 0.019 0.000 1.342 135 I CA -0.055 61.259 61.300 0.023 0.000 0.925 135 I CB 0.267 38.279 38.000 0.019 0.000 1.321 135 I HN 0.295 nan 8.210 nan 0.000 0.500 136 N N 0.014 118.725 118.700 0.018 0.000 2.443 136 N HA 0.077 4.817 4.740 0.000 0.000 0.184 136 N C 1.133 176.646 175.510 0.005 0.000 1.037 136 N CA 3.089 56.147 53.050 0.014 0.000 0.896 136 N CB -0.663 37.834 38.487 0.017 0.000 0.959 136 N HN 2.133 nan 8.380 nan 0.000 0.442 137 N N -1.585 117.118 118.700 0.006 0.000 2.266 137 N HA 0.463 5.203 4.740 0.000 0.000 0.217 137 N C 0.561 176.072 175.510 0.002 0.000 1.211 137 N CA 0.952 54.002 53.050 0.001 0.000 0.881 137 N CB 0.333 38.821 38.487 0.002 0.000 1.153 137 N HN 0.952 nan 8.380 nan 0.000 0.489 138 E N -0.172 120.032 120.200 0.007 0.000 2.216 138 E HA 0.684 5.034 4.350 0.000 0.000 0.260 138 E C -0.489 176.119 176.600 0.013 0.000 0.880 138 E CA -0.174 56.231 56.400 0.008 0.000 0.765 138 E CB 0.481 30.186 29.700 0.008 0.000 1.174 138 E HN 1.100 nan 8.360 nan 0.000 0.417 139 T N 1.955 116.517 114.554 0.012 0.000 3.348 139 T HA 0.586 4.936 4.350 0.000 0.000 0.328 139 T C -1.955 172.756 174.700 0.018 0.000 0.913 139 T CA -1.174 60.938 62.100 0.021 0.000 1.043 139 T CB 0.831 69.714 68.868 0.024 0.000 1.021 139 T HN 0.181 nan 8.240 nan 0.000 0.461 140 P HA 0.249 nan 4.420 nan 0.000 0.242 140 P C 1.184 178.494 177.300 0.016 0.000 1.198 140 P CA 1.138 64.245 63.100 0.011 0.000 0.756 140 P CB -0.136 31.569 31.700 0.008 0.000 0.911 141 G N 1.443 110.261 108.800 0.030 0.000 2.272 141 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 141 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 141 G C 0.185 175.122 174.900 0.062 0.000 1.067 141 G CA 0.022 45.148 45.100 0.043 0.000 0.902 141 G HN 0.630 nan 8.290 nan 0.000 0.500 142 I N -1.552 119.068 120.570 0.082 0.000 2.943 142 I HA 0.277 4.447 4.170 0.000 0.000 0.296 142 I C 0.396 176.622 176.117 0.180 0.000 1.220 142 I CA 0.238 61.598 61.300 0.099 0.000 1.409 142 I CB 0.264 38.356 38.000 0.154 0.000 1.374 142 I HN 0.249 nan 8.210 nan 0.000 0.545 143 R N 5.375 125.913 120.500 0.063 0.000 2.514 143 R HA 0.607 4.947 4.340 0.000 0.000 0.301 143 R C -1.638 174.617 176.300 -0.074 0.000 0.962 143 R CA -0.702 55.443 56.100 0.074 0.000 0.882 143 R CB 1.789 32.087 30.300 -0.003 0.000 1.143 143 R HN 0.652 nan 8.270 nan 0.000 0.452 144 Y N 0.928 121.015 120.300 -0.355 0.000 2.512 144 Y HA 0.228 4.778 4.550 0.000 0.000 0.348 144 Y C -0.146 175.245 175.900 -0.848 0.000 0.990 144 Y CA -0.821 56.929 58.100 -0.584 0.000 1.033 144 Y CB 2.233 40.308 38.460 -0.642 0.000 1.259 144 Y HN 0.490 nan 8.280 nan 0.000 0.461 145 Q N 0.378 119.992 119.800 -0.310 0.000 2.416 145 Q HA 0.595 4.935 4.340 0.000 0.000 0.279 145 Q C -1.764 174.161 176.000 -0.125 0.000 1.101 145 Q CA -1.094 54.595 55.803 -0.191 0.000 0.830 145 Q CB 2.133 30.823 28.738 -0.079 0.000 1.402 145 Q HN 0.613 nan 8.270 nan 0.000 0.445 146 Y N 0.555 120.819 120.300 -0.061 0.000 2.326 146 Y HA 0.257 4.807 4.550 0.000 0.000 0.324 146 Y C 0.765 176.638 175.900 -0.045 0.000 1.291 146 Y CA 0.069 58.159 58.100 -0.017 0.000 1.348 146 Y CB 1.088 39.526 38.460 -0.037 0.000 1.294 146 Y HN 0.763 nan 8.280 nan 0.000 0.525 147 N N -0.597 118.172 118.700 0.115 0.000 2.324 147 N HA 0.058 4.798 4.740 0.000 0.000 0.235 147 N C -0.439 175.113 175.510 0.070 0.000 1.162 147 N CA 0.459 53.545 53.050 0.060 0.000 0.834 147 N CB 0.621 39.134 38.487 0.044 0.000 1.354 147 N HN 0.359 nan 8.380 nan 0.000 0.471 148 V N -0.510 119.478 119.914 0.123 0.000 3.302 148 V HA 0.525 4.645 4.120 0.000 0.000 0.316 148 V C 0.465 176.571 176.094 0.020 0.000 1.111 148 V CA -0.949 61.409 62.300 0.095 0.000 1.029 148 V CB 1.008 32.916 31.823 0.142 0.000 1.170 148 V HN -0.072 nan 8.190 nan 0.000 0.452 149 L N 2.337 123.548 121.223 -0.021 0.000 2.456 149 L HA 0.305 4.645 4.340 0.000 0.000 0.277 149 L C -2.101 174.599 176.870 -0.283 0.000 1.124 149 L CA -1.242 53.546 54.840 -0.086 0.000 0.880 149 L CB 0.238 42.383 42.059 0.142 0.000 1.192 149 L HN 0.514 nan 8.230 nan 0.000 0.463 150 P HA -0.141 nan 4.420 nan 0.000 0.264 150 P C 0.336 177.385 177.300 -0.419 0.000 1.173 150 P CA 0.369 62.978 63.100 -0.818 0.000 0.761 150 P CB 0.497 31.397 31.700 -1.334 0.000 0.794 151 Q N 2.193 121.851 119.800 -0.238 0.000 2.291 151 Q HA -0.079 4.261 4.340 0.000 0.000 0.206 151 Q C 0.976 176.929 176.000 -0.079 0.000 0.976 151 Q CA 1.667 57.408 55.803 -0.102 0.000 0.875 151 Q CB -0.265 28.578 28.738 0.176 0.000 0.927 151 Q HN 0.680 nan 8.270 nan 0.000 0.450 152 G N -0.486 108.386 108.800 0.121 0.000 5.077 152 G HA2 0.176 4.136 3.960 0.000 0.000 0.230 152 G HA3 0.176 4.136 3.960 0.000 0.000 0.230 152 G C -1.458 173.606 174.900 0.273 0.000 0.924 152 G CA -0.647 44.537 45.100 0.140 0.000 0.770 152 G HN 0.241 nan 8.290 nan 0.000 0.512 153 W N 0.891 122.063 121.300 -0.214 0.000 2.509 153 W HA 0.562 5.222 4.660 0.000 0.000 0.351 153 W C 1.136 177.540 176.519 -0.190 0.000 1.107 153 W CA -1.164 55.996 57.345 -0.308 0.000 1.264 153 W CB 1.629 30.611 29.460 -0.797 0.000 1.312 153 W HN -0.022 nan 8.180 nan 0.000 0.608 154 K N 1.539 121.413 120.400 -0.878 0.000 2.209 154 K HA -0.056 4.265 4.320 0.000 0.000 0.204 154 K C 1.775 177.722 176.600 -1.088 0.000 1.048 154 K CA 1.866 57.692 56.287 -0.768 0.000 0.940 154 K CB -0.495 31.777 32.500 -0.380 0.000 0.729 154 K HN 0.785 nan 8.250 nan 0.000 0.451 155 G N -0.294 107.008 108.800 -2.498 0.000 2.426 155 G HA2 -0.150 3.810 3.960 0.000 0.000 0.214 155 G HA3 -0.150 3.810 3.960 0.000 0.000 0.214 155 G C 1.299 175.527 174.900 -1.120 0.000 1.156 155 G CA 0.532 44.182 45.100 -2.416 0.000 0.802 155 G HN 0.266 nan 8.290 nan 0.000 0.534 156 S N 2.097 117.449 115.700 -0.578 0.000 2.427 156 S HA -0.209 4.261 4.470 0.000 0.000 0.261 156 S C 0.186 174.870 174.600 0.140 0.000 1.091 156 S CA 2.162 60.362 58.200 -0.000 0.000 1.251 156 S CB -1.355 61.781 63.200 -0.107 0.000 1.160 156 S HN 0.316 nan 8.310 nan 0.000 0.436 157 P HA -0.045 nan 4.420 nan 0.000 0.216 157 P C 1.492 178.825 177.300 0.055 0.000 1.150 157 P CA 1.637 64.844 63.100 0.178 0.000 0.837 157 P CB -0.138 31.578 31.700 0.026 0.000 0.786 158 A N -0.651 122.104 122.820 -0.107 0.000 1.872 158 A HA -0.144 4.176 4.320 0.000 0.000 0.214 158 A C 2.091 179.628 177.584 -0.078 0.000 1.187 158 A CA 1.265 53.247 52.037 -0.090 0.000 0.614 158 A CB -1.436 17.501 19.000 -0.105 0.000 0.826 158 A HN -0.010 nan 8.150 nan 0.000 0.442 159 I N -1.236 119.237 120.570 -0.163 0.000 2.076 159 I HA -0.240 3.930 4.170 0.000 0.000 0.237 159 I C 2.371 178.454 176.117 -0.058 0.000 1.059 159 I CA 1.674 62.908 61.300 -0.109 0.000 1.317 159 I CB -1.692 36.260 38.000 -0.080 0.000 1.037 159 I HN 0.411 nan 8.210 nan 0.000 0.398 160 F N 1.564 121.472 119.950 -0.071 0.000 2.087 160 F HA -0.331 4.196 4.527 0.000 0.000 0.299 160 F C 2.928 178.649 175.800 -0.132 0.000 1.100 160 F CA 2.462 60.400 58.000 -0.102 0.000 1.226 160 F CB -0.491 38.416 39.000 -0.155 0.000 0.983 160 F HN 0.183 nan 8.300 nan 0.000 0.479 161 Q N -0.487 119.321 119.800 0.014 0.000 2.045 161 Q HA -0.274 4.066 4.340 0.000 0.000 0.206 161 Q C 2.446 178.334 176.000 -0.188 0.000 0.991 161 Q CA 2.369 58.132 55.803 -0.066 0.000 0.851 161 Q CB -0.598 28.119 28.738 -0.036 0.000 0.911 161 Q HN 0.467 nan 8.270 nan 0.000 0.418 162 S N -0.433 115.182 115.700 -0.142 0.000 2.354 162 S HA -0.179 4.291 4.470 0.000 0.000 0.219 162 S C 2.074 176.533 174.600 -0.236 0.000 1.035 162 S CA 1.656 59.772 58.200 -0.140 0.000 1.037 162 S CB -0.459 62.697 63.200 -0.072 0.000 0.956 162 S HN 0.544 nan 8.310 nan 0.000 0.428 163 S N 1.343 116.862 115.700 -0.302 0.000 2.389 163 S HA -0.271 4.199 4.470 0.000 0.000 0.229 163 S C 1.883 176.208 174.600 -0.458 0.000 1.048 163 S CA 2.138 60.123 58.200 -0.357 0.000 1.117 163 S CB -0.677 62.286 63.200 -0.396 0.000 1.020 163 S HN 0.619 nan 8.310 nan 0.000 0.430 164 M N 1.856 121.064 119.600 -0.652 0.000 2.088 164 M HA -0.161 4.319 4.480 0.000 0.000 0.256 164 M C 1.960 178.027 176.300 -0.388 0.000 1.071 164 M CA 2.058 57.023 55.300 -0.559 0.000 1.097 164 M CB -1.506 30.757 32.600 -0.562 0.000 1.315 164 M HN 0.272 nan 8.290 nan 0.000 0.406 165 T N 0.860 115.232 114.554 -0.302 0.000 2.721 165 T HA -0.223 4.127 4.350 0.000 0.000 0.268 165 T C 1.712 176.289 174.700 -0.204 0.000 1.038 165 T CA 2.060 64.036 62.100 -0.206 0.000 1.145 165 T CB -0.324 68.455 68.868 -0.149 0.000 0.858 165 T HN 0.508 nan 8.240 nan 0.000 0.459 166 K N 0.642 120.896 120.400 -0.244 0.000 1.973 166 K HA 0.080 4.400 4.320 0.000 0.000 0.210 166 K C 2.270 178.650 176.600 -0.367 0.000 1.045 166 K CA 1.212 57.356 56.287 -0.239 0.000 0.937 166 K CB -0.447 31.922 32.500 -0.219 0.000 0.721 166 K HN 0.230 nan 8.250 nan 0.000 0.438 167 I N 1.738 121.949 120.570 -0.599 0.000 2.229 167 I HA -0.343 3.828 4.170 0.000 0.000 0.250 167 I C 2.097 177.866 176.117 -0.580 0.000 1.096 167 I CA 1.415 62.124 61.300 -0.986 0.000 1.358 167 I CB -0.406 36.967 38.000 -1.044 0.000 1.047 167 I HN 0.211 nan 8.210 nan 0.000 0.422 168 L N -0.394 120.634 121.223 -0.326 0.000 2.313 168 L HA -0.124 4.216 4.340 0.000 0.000 0.214 168 L C 2.405 179.325 176.870 0.084 0.000 1.119 168 L CA 0.452 55.235 54.840 -0.094 0.000 0.809 168 L CB -0.597 41.398 42.059 -0.105 0.000 0.933 168 L HN 0.174 nan 8.230 nan 0.000 0.449 169 E N 1.317 121.514 120.200 -0.005 0.000 2.068 169 E HA -0.224 4.126 4.350 0.000 0.000 0.207 169 E C -0.491 176.153 176.600 0.074 0.000 1.032 169 E CA 2.339 58.755 56.400 0.028 0.000 0.839 169 E CB -1.161 28.530 29.700 -0.016 0.000 0.758 169 E HN 0.298 nan 8.360 nan 0.000 0.457 170 P HA -0.145 nan 4.420 nan 0.000 0.216 170 P C 1.680 179.005 177.300 0.040 0.000 1.153 170 P CA 1.250 64.391 63.100 0.069 0.000 0.844 170 P CB -0.309 31.452 31.700 0.103 0.000 0.787 171 F N 3.485 123.377 119.950 -0.096 0.000 2.046 171 F HA -0.221 4.306 4.527 0.000 0.000 0.297 171 F C 2.310 178.088 175.800 -0.037 0.000 1.123 171 F CA 2.584 60.507 58.000 -0.129 0.000 1.199 171 F CB -0.746 38.250 39.000 -0.006 0.000 0.972 171 F HN -0.157 nan 8.300 nan 0.000 0.474 172 K N 0.512 121.082 120.400 0.282 0.000 2.519 172 K HA -0.180 4.140 4.320 0.000 0.000 0.196 172 K C 1.951 178.530 176.600 -0.036 0.000 1.041 172 K CA 1.541 57.893 56.287 0.108 0.000 0.954 172 K CB -0.352 32.257 32.500 0.182 0.000 0.774 172 K HN 0.376 nan 8.250 nan 0.000 0.480 173 K N 0.809 121.183 120.400 -0.044 0.000 2.137 173 K HA -0.069 4.251 4.320 0.000 0.000 0.202 173 K C 1.761 178.296 176.600 -0.109 0.000 1.052 173 K CA 1.102 57.356 56.287 -0.054 0.000 0.961 173 K CB 0.164 32.648 32.500 -0.027 0.000 0.741 173 K HN 0.332 nan 8.250 nan 0.000 0.452 174 Q N -0.050 119.640 119.800 -0.184 0.000 2.331 174 Q HA 0.055 4.395 4.340 0.000 0.000 0.203 174 Q C -0.234 175.588 176.000 -0.297 0.000 0.944 174 Q CA 0.547 56.215 55.803 -0.226 0.000 0.892 174 Q CB 0.424 29.009 28.738 -0.256 0.000 0.983 174 Q HN 0.192 nan 8.270 nan 0.000 0.482 175 N N 1.146 119.604 118.700 -0.404 0.000 2.623 175 N HA 0.145 4.885 4.740 0.000 0.000 0.256 175 N C -2.316 173.082 175.510 -0.186 0.000 1.045 175 N CA -1.004 51.822 53.050 -0.373 0.000 0.863 175 N CB 1.824 39.876 38.487 -0.724 0.000 1.182 175 N HN 0.045 nan 8.380 nan 0.000 0.523 176 P HA 0.040 nan 4.420 nan 0.000 0.238 176 P C -0.407 176.881 177.300 -0.020 0.000 1.183 176 P CA 0.674 63.744 63.100 -0.050 0.000 0.813 176 P CB 0.290 31.962 31.700 -0.046 0.000 0.944 177 D N 0.606 120.994 120.400 -0.020 0.000 3.163 177 D HA 0.303 4.943 4.640 0.000 0.000 0.284 177 D C -0.016 176.298 176.300 0.023 0.000 1.368 177 D CA -0.250 53.751 54.000 0.002 0.000 0.895 177 D CB -0.482 40.317 40.800 -0.002 0.000 1.061 177 D HN 0.151 nan 8.370 nan 0.000 0.496 178 I N 1.045 121.637 120.570 0.038 0.000 2.540 178 I HA 0.138 4.308 4.170 0.000 0.000 0.280 178 I C -0.413 175.747 176.117 0.072 0.000 1.083 178 I CA -1.090 60.250 61.300 0.067 0.000 1.080 178 I CB 2.036 40.088 38.000 0.086 0.000 1.205 178 I HN -0.079 nan 8.210 nan 0.000 0.459 179 V N 7.031 126.980 119.914 0.058 0.000 2.585 179 V HA 0.239 4.359 4.120 0.000 0.000 0.296 179 V C 0.331 176.459 176.094 0.057 0.000 1.035 179 V CA 0.372 62.698 62.300 0.043 0.000 1.084 179 V CB 1.051 32.880 31.823 0.010 0.000 0.953 179 V HN 0.424 nan 8.190 nan 0.000 0.483 180 I N 5.391 125.997 120.570 0.060 0.000 2.466 180 I HA 0.473 4.643 4.170 0.000 0.000 0.289 180 I C -1.061 175.106 176.117 0.083 0.000 1.026 180 I CA -0.658 60.682 61.300 0.067 0.000 1.078 180 I CB 1.842 39.868 38.000 0.043 0.000 1.249 180 I HN 0.596 nan 8.210 nan 0.000 0.429 181 Y N 5.249 125.522 120.300 -0.044 0.000 2.576 181 Y HA 0.478 5.028 4.550 0.000 0.000 0.346 181 Y C -1.009 174.871 175.900 -0.033 0.000 1.018 181 Y CA -0.584 57.464 58.100 -0.086 0.000 1.050 181 Y CB 2.090 40.418 38.460 -0.221 0.000 1.280 181 Y HN 0.542 nan 8.280 nan 0.000 0.474 182 Q N 5.111 124.589 119.800 -0.537 0.000 2.290 182 Q HA 0.446 4.786 4.340 0.000 0.000 0.269 182 Q C -2.320 173.540 176.000 -0.232 0.000 1.016 182 Q CA -0.520 55.157 55.803 -0.210 0.000 0.754 182 Q CB 1.925 30.563 28.738 -0.167 0.000 1.247 182 Q HN 0.830 nan 8.270 nan 0.000 0.451 183 Y N 3.296 123.590 120.300 -0.011 0.000 0.000 183 Y HA 0.334 4.885 4.550 0.000 0.000 0.000 183 Y C -1.355 nan 175.900 nan 0.000 0.000 183 Y CA -0.376 57.794 58.100 0.118 0.000 0.000 183 Y CB 1.146 39.792 38.460 0.310 0.000 0.000 183 Y HN 0.704 nan 8.280 nan 0.000 0.000 184 M N 0.383 119.751 119.600 -0.387 0.000 0.000 184 M HA 0.088 4.568 4.480 0.000 0.000 0.000 184 M C -1.362 174.868 176.300 -0.117 0.000 0.000 184 M CA 0.690 55.845 55.300 -0.241 0.000 0.000 184 M CB -0.567 31.951 32.600 -0.137 0.000 0.000 184 M HN 0.655 nan 8.290 nan 0.000 0.000 185 D N 0.425 120.788 120.400 -0.062 0.000 2.945 185 D HA 0.517 5.157 4.640 0.000 0.000 0.366 185 D C -1.332 174.975 176.300 0.012 0.000 1.352 185 D CA -0.179 53.743 54.000 -0.130 0.000 0.810 185 D CB 0.229 40.875 40.800 -0.256 0.000 1.170 185 D HN 0.120 nan 8.370 nan 0.000 0.461 186 D N 0.165 120.629 120.400 0.107 0.000 2.879 186 D HA 0.405 5.045 4.640 0.000 0.000 0.236 186 D C -1.356 175.077 176.300 0.222 0.000 1.171 186 D CA -0.490 53.623 54.000 0.189 0.000 0.868 186 D CB 2.291 43.303 40.800 0.354 0.000 1.598 186 D HN 0.105 nan 8.370 nan 0.000 0.497 187 L N 3.260 124.567 121.223 0.139 0.000 2.298 187 L HA 0.419 4.759 4.340 0.000 0.000 0.284 187 L C -1.224 175.714 176.870 0.113 0.000 1.013 187 L CA -0.741 54.173 54.840 0.124 0.000 0.824 187 L CB 0.546 42.618 42.059 0.022 0.000 1.221 187 L HN 0.430 nan 8.230 nan 0.000 0.418 188 Y N 4.235 124.506 120.300 -0.048 0.000 2.504 188 Y HA 0.360 4.910 4.550 0.000 0.000 0.339 188 Y C 0.020 175.869 175.900 -0.086 0.000 0.974 188 Y CA -0.579 57.442 58.100 -0.131 0.000 1.232 188 Y CB 1.196 39.529 38.460 -0.213 0.000 1.108 188 Y HN 0.145 nan 8.280 nan 0.000 0.509 189 V N 3.282 123.207 119.914 0.020 0.000 2.427 189 V HA 0.895 5.015 4.120 0.000 0.000 0.286 189 V C 0.397 176.553 176.094 0.103 0.000 1.034 189 V CA -0.537 61.797 62.300 0.058 0.000 0.893 189 V CB 1.429 33.274 31.823 0.037 0.000 0.982 189 V HN 0.856 nan 8.190 nan 0.000 0.452 190 G N 2.520 111.395 108.800 0.124 0.000 2.690 190 G HA2 0.827 4.787 3.960 0.000 0.000 0.291 190 G HA3 0.827 4.787 3.960 0.000 0.000 0.291 190 G C -0.875 174.147 174.900 0.204 0.000 1.403 190 G CA 0.126 45.332 45.100 0.176 0.000 0.864 190 G HN 1.167 nan 8.290 nan 0.000 0.480 191 S N -1.091 114.752 115.700 0.238 0.000 2.660 191 S HA 0.412 4.882 4.470 0.000 0.000 0.264 191 S C -1.816 172.866 174.600 0.136 0.000 1.131 191 S CA -0.697 57.611 58.200 0.180 0.000 0.846 191 S CB 1.512 64.839 63.200 0.213 0.000 1.151 191 S HN 0.359 nan 8.310 nan 0.000 0.486 192 D N 1.468 121.934 120.400 0.111 0.000 3.179 192 D HA 0.415 5.055 4.640 0.000 0.000 0.267 192 D C -0.661 175.699 176.300 0.100 0.000 1.348 192 D CA 0.125 54.173 54.000 0.080 0.000 0.897 192 D CB -0.006 40.824 40.800 0.049 0.000 1.062 192 D HN 0.373 nan 8.370 nan 0.000 0.494 193 L N 0.496 121.821 121.223 0.169 0.000 2.365 193 L HA 0.303 4.643 4.340 0.000 0.000 0.273 193 L C 0.676 177.635 176.870 0.148 0.000 1.000 193 L CA -0.939 54.000 54.840 0.165 0.000 0.819 193 L CB 2.358 44.536 42.059 0.198 0.000 1.284 193 L HN -0.140 nan 8.230 nan 0.000 0.418 194 E N 2.185 122.444 120.200 0.099 0.000 2.481 194 E HA -0.042 4.309 4.350 0.000 0.000 0.263 194 E C 1.047 177.707 176.600 0.101 0.000 0.992 194 E CA -0.015 56.429 56.400 0.074 0.000 0.938 194 E CB 1.049 30.783 29.700 0.055 0.000 0.933 194 E HN 0.452 nan 8.360 nan 0.000 0.453 195 I N 2.216 122.825 120.570 0.065 0.000 2.181 195 I HA -0.401 3.769 4.170 0.000 0.000 0.240 195 I C 2.200 178.388 176.117 0.118 0.000 1.006 195 I CA 1.962 63.306 61.300 0.073 0.000 1.284 195 I CB -0.742 37.283 38.000 0.040 0.000 0.990 195 I HN 0.775 nan 8.210 nan 0.000 0.408 196 G N -0.633 108.219 108.800 0.086 0.000 2.424 196 G HA2 -0.283 3.677 3.960 0.000 0.000 0.214 196 G HA3 -0.283 3.677 3.960 0.000 0.000 0.214 196 G C 1.480 176.434 174.900 0.090 0.000 1.202 196 G CA 0.732 45.879 45.100 0.078 0.000 0.793 196 G HN 0.484 nan 8.290 nan 0.000 0.534 197 Q N -0.482 119.368 119.800 0.083 0.000 2.308 197 Q HA -0.261 4.079 4.340 0.000 0.000 0.209 197 Q C 2.069 178.129 176.000 0.100 0.000 0.985 197 Q CA 1.944 57.792 55.803 0.075 0.000 0.881 197 Q CB -0.174 28.603 28.738 0.066 0.000 0.917 197 Q HN 0.782 nan 8.270 nan 0.000 0.443 198 H N -0.560 118.535 119.070 0.041 0.000 2.370 198 H HA 0.086 4.642 4.556 0.000 0.000 0.304 198 H C 1.943 177.304 175.328 0.055 0.000 1.055 198 H CA 1.272 57.350 56.048 0.049 0.000 1.373 198 H CB 0.174 29.966 29.762 0.051 0.000 1.423 198 H HN 0.063 nan 8.280 nan 0.000 0.533 199 R N -0.065 120.530 120.500 0.157 0.000 2.293 199 R HA -0.086 4.254 4.340 0.000 0.000 0.219 199 R C 1.610 177.932 176.300 0.036 0.000 1.091 199 R CA 1.373 57.528 56.100 0.092 0.000 1.004 199 R CB -0.151 30.211 30.300 0.102 0.000 0.865 199 R HN 0.359 nan 8.270 nan 0.000 0.469 200 T N 0.707 115.279 114.554 0.030 0.000 2.545 200 T HA -0.144 4.206 4.350 0.000 0.000 0.261 200 T C 1.515 176.226 174.700 0.019 0.000 1.097 200 T CA 1.252 63.367 62.100 0.025 0.000 1.189 200 T CB -0.072 68.810 68.868 0.023 0.000 0.863 200 T HN 0.151 nan 8.240 nan 0.000 0.405 201 K N 0.972 121.366 120.400 -0.010 0.000 2.059 201 K HA -0.046 4.274 4.320 0.000 0.000 0.212 201 K C 2.201 178.837 176.600 0.059 0.000 1.050 201 K CA 0.941 57.247 56.287 0.033 0.000 0.927 201 K CB -0.897 31.594 32.500 -0.015 0.000 0.714 201 K HN 0.273 nan 8.250 nan 0.000 0.447 202 I N 1.565 122.103 120.570 -0.053 0.000 2.381 202 I HA -0.263 3.907 4.170 0.000 0.000 0.255 202 I C 2.210 178.334 176.117 0.012 0.000 1.140 202 I CA 1.439 62.721 61.300 -0.030 0.000 1.404 202 I CB -0.582 37.401 38.000 -0.028 0.000 1.075 202 I HN 0.225 nan 8.210 nan 0.000 0.433 203 E N 0.967 121.190 120.200 0.038 0.000 2.076 203 E HA -0.152 4.199 4.350 0.000 0.000 0.190 203 E C 2.026 178.677 176.600 0.084 0.000 0.979 203 E CA 1.124 57.553 56.400 0.049 0.000 0.807 203 E CB -0.039 29.690 29.700 0.049 0.000 0.761 203 E HN 0.450 nan 8.360 nan 0.000 0.454 204 E N 0.099 120.384 120.200 0.142 0.000 2.085 204 E HA -0.214 4.136 4.350 0.000 0.000 0.194 204 E C 2.129 178.916 176.600 0.312 0.000 0.994 204 E CA 1.226 57.779 56.400 0.254 0.000 0.801 204 E CB -0.249 29.628 29.700 0.296 0.000 0.743 204 E HN 0.220 nan 8.360 nan 0.000 0.453 205 L N 1.322 122.623 121.223 0.130 0.000 1.988 205 L HA -0.141 4.200 4.340 0.000 0.000 0.207 205 L C 2.453 179.191 176.870 -0.220 0.000 1.071 205 L CA 1.720 56.255 54.840 -0.509 0.000 0.744 205 L CB -0.341 41.394 42.059 -0.539 0.000 0.893 205 L HN -0.110 nan 8.230 nan 0.000 0.433 206 R N -1.113 119.331 120.500 -0.094 0.000 2.185 206 R HA -0.206 4.134 4.340 0.000 0.000 0.247 206 R C 2.085 178.384 176.300 -0.003 0.000 1.159 206 R CA 1.691 57.761 56.100 -0.049 0.000 0.988 206 R CB -0.046 30.246 30.300 -0.013 0.000 0.871 206 R HN 0.553 nan 8.270 nan 0.000 0.458 207 Q N -1.442 118.386 119.800 0.047 0.000 2.297 207 Q HA -0.094 4.246 4.340 0.000 0.000 0.203 207 Q C 1.727 177.819 176.000 0.153 0.000 0.931 207 Q CA 0.882 56.736 55.803 0.086 0.000 0.885 207 Q CB -0.152 28.643 28.738 0.094 0.000 0.991 207 Q HN 0.464 nan 8.270 nan 0.000 0.498 208 H N 1.557 120.654 119.070 0.044 0.000 2.319 208 H HA -0.082 4.474 4.556 0.000 0.000 0.297 208 H C 1.875 177.308 175.328 0.175 0.000 1.097 208 H CA 1.701 57.818 56.048 0.116 0.000 1.285 208 H CB -0.373 29.401 29.762 0.020 0.000 1.368 208 H HN 0.112 nan 8.280 nan 0.000 0.495 209 L N -0.568 120.583 121.223 -0.120 0.000 2.083 209 L HA -0.137 4.203 4.340 0.000 0.000 0.209 209 L C 2.480 179.380 176.870 0.050 0.000 1.083 209 L CA 0.661 55.404 54.840 -0.161 0.000 0.752 209 L CB -0.450 41.496 42.059 -0.188 0.000 0.899 209 L HN 0.266 nan 8.230 nan 0.000 0.433 210 L N 0.149 121.410 121.223 0.063 0.000 2.265 210 L HA -0.166 4.174 4.340 0.000 0.000 0.215 210 L C 2.605 179.534 176.870 0.098 0.000 1.117 210 L CA 1.587 56.471 54.840 0.073 0.000 0.782 210 L CB -0.717 41.376 42.059 0.056 0.000 0.914 210 L HN 0.133 nan 8.230 nan 0.000 0.441 211 R N -2.032 118.561 120.500 0.155 0.000 2.075 211 R HA -0.177 4.163 4.340 0.000 0.000 0.232 211 R C 1.164 177.478 176.300 0.023 0.000 1.126 211 R CA 1.813 57.967 56.100 0.089 0.000 0.963 211 R CB -0.383 30.006 30.300 0.149 0.000 0.858 211 R HN 0.364 nan 8.270 nan 0.000 0.435 212 W N 0.249 121.532 121.300 -0.028 0.000 3.433 212 W HA 0.285 4.946 4.660 0.000 0.000 0.376 212 W C 1.015 177.518 176.519 -0.025 0.000 1.160 212 W CA 0.493 57.816 57.345 -0.037 0.000 1.832 212 W CB -0.162 29.246 29.460 -0.088 0.000 1.011 212 W HN 0.318 nan 8.180 nan 0.000 0.766 213 G N 0.268 109.162 108.800 0.156 0.000 2.189 213 G HA2 -0.342 3.619 3.960 0.000 0.000 0.267 213 G HA3 -0.342 3.619 3.960 0.000 0.000 0.267 213 G C 0.250 175.214 174.900 0.107 0.000 0.975 213 G CA -0.016 45.151 45.100 0.112 0.000 0.644 213 G HN 0.271 nan 8.290 nan 0.000 0.537 214 L N 2.770 124.056 121.223 0.104 0.000 2.384 214 L HA 0.230 4.570 4.340 0.000 0.000 0.258 214 L C 0.690 177.586 176.870 0.044 0.000 1.266 214 L CA -0.324 54.558 54.840 0.070 0.000 1.162 214 L CB -0.038 42.035 42.059 0.024 0.000 1.375 214 L HN 0.081 nan 8.230 nan 0.000 0.420 215 T N 0.770 115.354 114.554 0.049 0.000 2.792 215 T HA 0.016 4.366 4.350 0.000 0.000 0.286 215 T C 0.641 175.355 174.700 0.022 0.000 0.970 215 T CA 0.268 62.388 62.100 0.033 0.000 1.187 215 T CB 0.078 68.964 68.868 0.031 0.000 0.915 215 T HN 0.358 nan 8.240 nan 0.000 0.529 216 T N 7.161 121.722 114.554 0.012 0.000 2.770 216 T HA 0.297 4.647 4.350 0.000 0.000 0.297 216 T C -1.189 173.517 174.700 0.009 0.000 0.997 216 T CA -1.311 60.792 62.100 0.005 0.000 0.949 216 T CB 1.429 70.290 68.868 -0.011 0.000 0.941 216 T HN 0.374 nan 8.240 nan 0.000 0.457 217 P HA 0.077 nan 4.420 nan 0.000 0.239 217 P C 0.291 177.600 177.300 0.016 0.000 1.184 217 P CA 0.261 63.369 63.100 0.013 0.000 0.760 217 P CB -0.480 31.227 31.700 0.012 0.000 0.884 218 D N 0.594 121.003 120.400 0.015 0.000 2.434 218 D HA 0.378 5.018 4.640 0.000 0.000 0.252 218 D C 0.515 176.828 176.300 0.021 0.000 1.185 218 D CA -0.048 53.963 54.000 0.020 0.000 0.886 218 D CB -0.286 40.525 40.800 0.018 0.000 1.148 218 D HN 0.290 nan 8.370 nan 0.000 0.483 219 K N 0.895 121.310 120.400 0.024 0.000 2.285 219 K HA 0.704 5.024 4.320 0.000 0.000 0.286 219 K C 1.367 177.986 176.600 0.031 0.000 1.072 219 K CA 0.216 56.518 56.287 0.025 0.000 0.913 219 K CB -0.296 32.218 32.500 0.023 0.000 1.067 219 K HN 1.938 nan 8.250 nan 0.000 0.479 220 K N 0.226 120.646 120.400 0.032 0.000 3.016 220 K HA -0.064 4.256 4.320 0.000 0.000 0.262 220 K C 1.125 177.755 176.600 0.050 0.000 1.043 220 K CA 2.721 59.032 56.287 0.040 0.000 0.761 220 K CB -3.062 29.462 32.500 0.041 0.000 1.230 220 K HN 2.955 nan 8.250 nan 0.000 0.485 221 H N -5.677 113.419 119.070 0.043 0.000 2.886 221 H HA 0.312 4.868 4.556 0.000 0.000 0.294 221 H C 1.297 176.661 175.328 0.060 0.000 1.246 221 H CA 1.809 57.888 56.048 0.051 0.000 1.142 221 H CB -2.898 26.907 29.762 0.073 0.000 1.358 221 H HN 2.664 nan 8.280 nan 0.000 0.406 222 Q N -0.097 119.732 119.800 0.048 0.000 2.317 222 Q HA 0.615 4.955 4.340 0.000 0.000 0.286 222 Q C 0.545 176.580 176.000 0.057 0.000 1.198 222 Q CA 1.500 57.332 55.803 0.047 0.000 0.973 222 Q CB -0.994 27.766 28.738 0.036 0.000 1.207 222 Q HN 2.481 nan 8.270 nan 0.000 0.416 223 K N 2.045 122.489 120.400 0.074 0.000 2.525 223 K HA 0.549 4.869 4.320 0.000 0.000 0.254 223 K C -0.723 175.902 176.600 0.042 0.000 0.934 223 K CA -0.807 55.545 56.287 0.109 0.000 0.802 223 K CB 0.986 33.609 32.500 0.206 0.000 1.295 223 K HN 0.697 nan 8.250 nan 0.000 0.433 224 E N 3.398 123.581 120.200 -0.029 0.000 2.383 224 E HA 0.063 4.413 4.350 0.000 0.000 0.257 224 E C -1.828 174.426 176.600 -0.576 0.000 1.079 224 E CA -2.016 54.276 56.400 -0.181 0.000 0.934 224 E CB 1.024 30.653 29.700 -0.117 0.000 0.978 224 E HN 0.369 nan 8.360 nan 0.000 0.462 225 P HA -0.110 nan 4.420 nan 0.000 0.218 225 P C -1.995 174.921 177.300 -0.641 0.000 1.146 225 P CA 1.189 63.981 63.100 -0.513 0.000 0.820 225 P CB -0.416 31.194 31.700 -0.150 0.000 0.778 226 P HA 0.168 nan 4.420 nan 0.000 0.270 226 P C -0.809 176.286 177.300 -0.342 0.000 1.551 226 P CA -0.531 62.426 63.100 -0.238 0.000 1.049 226 P CB 0.126 31.848 31.700 0.037 0.000 1.397 227 F N 2.636 122.608 119.950 0.036 0.000 2.443 227 F HA 0.235 4.762 4.527 0.000 0.000 0.353 227 F C 1.219 177.133 175.800 0.191 0.000 1.101 227 F CA -0.338 57.737 58.000 0.124 0.000 1.226 227 F CB 0.598 39.708 39.000 0.182 0.000 1.140 227 F HN 0.095 nan 8.300 nan 0.000 0.557 228 L N 3.543 125.001 121.223 0.393 0.000 2.321 228 L HA 0.276 4.616 4.340 0.000 0.000 0.272 228 L C -1.232 175.891 176.870 0.422 0.000 1.050 228 L CA -0.355 54.684 54.840 0.333 0.000 0.893 228 L CB 0.338 42.528 42.059 0.219 0.000 1.272 228 L HN 0.700 nan 8.230 nan 0.000 0.435 229 W N 6.075 127.507 121.300 0.220 0.000 2.781 229 W HA 0.456 5.116 4.660 0.000 0.000 0.333 229 W C 0.020 176.628 176.519 0.149 0.000 1.047 229 W CA -0.847 56.571 57.345 0.122 0.000 1.236 229 W CB 1.362 30.837 29.460 0.024 0.000 1.394 229 W HN 0.251 nan 8.180 nan 0.000 0.466 230 M N 6.045 125.230 119.600 -0.692 0.000 2.140 230 M HA -0.235 4.245 4.480 0.000 0.000 0.191 230 M C 1.265 177.548 176.300 -0.028 0.000 0.454 230 M CA 1.971 56.897 55.300 -0.622 0.000 0.403 230 M CB -2.112 29.698 32.600 -1.315 0.000 1.031 230 M HN 1.380 nan 8.290 nan 0.000 0.937 231 G N -1.621 107.189 108.800 0.016 0.000 2.435 231 G HA2 -0.355 3.605 3.960 0.000 0.000 0.245 231 G HA3 -0.355 3.605 3.960 0.000 0.000 0.245 231 G C 0.043 175.121 174.900 0.297 0.000 1.073 231 G CA 0.653 45.833 45.100 0.132 0.000 0.638 231 G HN 0.598 nan 8.290 nan 0.000 0.521 232 Y N 1.221 121.723 120.300 0.337 0.000 2.330 232 Y HA 0.547 5.097 4.550 0.000 0.000 0.341 232 Y C 0.968 177.052 175.900 0.308 0.000 1.278 232 Y CA 0.291 58.603 58.100 0.353 0.000 1.453 232 Y CB 0.586 39.279 38.460 0.389 0.000 1.342 232 Y HN 0.256 nan 8.280 nan 0.000 0.590 233 E N 1.973 122.441 120.200 0.446 0.000 2.244 233 E HA 0.485 4.835 4.350 0.000 0.000 0.260 233 E C -2.035 174.657 176.600 0.153 0.000 0.884 233 E CA -0.459 56.088 56.400 0.245 0.000 0.777 233 E CB 0.827 30.625 29.700 0.163 0.000 1.197 233 E HN 0.599 nan 8.360 nan 0.000 0.416 234 L N 3.432 124.697 121.223 0.071 0.000 2.319 234 L HA 0.617 4.957 4.340 0.000 0.000 0.267 234 L C -0.640 176.055 176.870 -0.292 0.000 1.011 234 L CA -0.678 54.204 54.840 0.071 0.000 0.818 234 L CB 1.865 44.130 42.059 0.343 0.000 1.316 234 L HN 0.618 nan 8.230 nan 0.000 0.432 235 H N -0.608 118.712 119.070 0.417 0.000 3.008 235 H HA 0.278 4.834 4.556 0.000 0.000 0.354 235 H C -2.064 173.518 175.328 0.423 0.000 1.252 235 H CA -1.440 54.797 56.048 0.315 0.000 1.117 235 H CB 1.299 31.158 29.762 0.160 0.000 1.857 235 H HN 0.296 nan 8.280 nan 0.000 0.547 236 P HA -0.147 nan 4.420 nan 0.000 0.223 236 P C 0.107 177.651 177.300 0.407 0.000 1.144 236 P CA 1.558 64.848 63.100 0.317 0.000 0.783 236 P CB 0.421 32.229 31.700 0.181 0.000 0.771 237 D N -1.814 118.857 120.400 0.452 0.000 2.525 237 D HA 0.056 4.696 4.640 0.000 0.000 0.231 237 D C 0.528 176.913 176.300 0.141 0.000 1.216 237 D CA 0.108 54.333 54.000 0.375 0.000 0.813 237 D CB 0.373 41.281 40.800 0.180 0.000 1.108 237 D HN 0.285 nan 8.370 nan 0.000 0.524 238 K N -0.500 119.927 120.400 0.044 0.000 2.555 238 K HA 0.549 4.869 4.320 0.000 0.000 0.279 238 K C -1.478 175.090 176.600 -0.053 0.000 0.986 238 K CA -0.995 55.153 56.287 -0.232 0.000 0.880 238 K CB 2.070 34.530 32.500 -0.066 0.000 1.474 238 K HN 0.125 nan 8.250 nan 0.000 0.433 239 W N -0.134 121.059 121.300 -0.179 0.000 3.296 239 W HA 0.667 5.327 4.660 0.000 0.000 0.314 239 W C -1.972 174.589 176.519 0.069 0.000 1.238 239 W CA -0.779 56.578 57.345 0.020 0.000 1.193 239 W CB 1.330 30.808 29.460 0.030 0.000 1.383 239 W HN 0.715 nan 8.180 nan 0.000 0.545 240 T N 0.889 115.460 114.554 0.029 0.000 2.886 240 T HA 0.216 4.566 4.350 0.000 0.000 0.341 240 T C -0.899 173.825 174.700 0.040 0.000 1.839 240 T CA -0.719 61.214 62.100 -0.279 0.000 1.052 240 T CB 1.585 70.183 68.868 -0.450 0.000 1.715 240 T HN 0.425 nan 8.240 nan 0.000 0.504 241 V N 1.832 121.689 119.914 -0.094 0.000 2.881 241 V HA 0.403 4.523 4.120 0.000 0.000 0.303 241 V C 1.063 177.159 176.094 0.004 0.000 1.070 241 V CA 0.144 62.438 62.300 -0.010 0.000 1.074 241 V CB 1.557 33.325 31.823 -0.092 0.000 1.012 241 V HN 0.990 nan 8.190 nan 0.000 0.482 242 Q N 1.478 121.333 119.800 0.092 0.000 2.360 242 Q HA 0.214 4.554 4.340 0.000 0.000 0.261 242 Q C -1.783 174.286 176.000 0.115 0.000 0.802 242 Q CA -0.282 55.581 55.803 0.100 0.000 0.983 242 Q CB 0.757 29.558 28.738 0.106 0.000 1.211 242 Q HN 0.735 nan 8.270 nan 0.000 0.523 243 P HA 0.327 nan 4.420 nan 0.000 0.226 243 P C -1.191 176.171 177.300 0.103 0.000 1.832 243 P CA 0.309 63.466 63.100 0.095 0.000 1.092 243 P CB -0.004 31.741 31.700 0.075 0.000 1.873 244 I N 2.209 122.856 120.570 0.127 0.000 2.411 244 I HA 0.358 4.528 4.170 0.000 0.000 0.284 244 I C -0.083 176.105 176.117 0.119 0.000 1.012 244 I CA -1.217 60.166 61.300 0.138 0.000 1.119 244 I CB 2.125 40.245 38.000 0.201 0.000 1.261 244 I HN -0.029 nan 8.210 nan 0.000 0.448 245 V N 5.232 125.204 119.914 0.096 0.000 2.531 245 V HA 0.567 4.687 4.120 0.000 0.000 0.301 245 V C -0.501 175.651 176.094 0.097 0.000 1.034 245 V CA -0.760 61.591 62.300 0.085 0.000 0.865 245 V CB 1.782 33.645 31.823 0.068 0.000 0.995 245 V HN 0.544 nan 8.190 nan 0.000 0.424 246 L N 6.016 127.300 121.223 0.103 0.000 2.295 246 L HA 0.458 4.798 4.340 0.000 0.000 0.288 246 L C -2.123 174.853 176.870 0.176 0.000 1.079 246 L CA -1.529 53.394 54.840 0.138 0.000 0.830 246 L CB 0.792 42.917 42.059 0.111 0.000 1.200 246 L HN 0.469 nan 8.230 nan 0.000 0.438 247 P HA 0.040 nan 4.420 nan 0.000 0.266 247 P C -0.657 176.751 177.300 0.180 0.000 1.215 247 P CA -0.131 63.060 63.100 0.152 0.000 0.763 247 P CB 0.313 32.086 31.700 0.122 0.000 0.806 248 E N 1.710 121.951 120.200 0.067 0.000 2.174 248 E HA 0.730 5.080 4.350 0.000 0.000 0.282 248 E C -0.146 176.363 176.600 -0.152 0.000 0.992 248 E CA -0.956 55.478 56.400 0.056 0.000 0.803 248 E CB 0.868 30.613 29.700 0.074 0.000 1.090 248 E HN 0.449 nan 8.360 nan 0.000 0.396 249 K N 2.799 123.004 120.400 -0.326 0.000 2.999 249 K HA 0.241 4.561 4.320 0.000 0.000 0.295 249 K C -1.756 174.512 176.600 -0.554 0.000 1.082 249 K CA -0.309 55.736 56.287 -0.404 0.000 0.816 249 K CB 0.610 32.847 32.500 -0.438 0.000 1.492 249 K HN 0.691 nan 8.250 nan 0.000 0.362 250 D N -0.400 119.787 120.400 -0.355 0.000 2.437 250 D HA 0.609 5.249 4.640 0.000 0.000 0.259 250 D C 0.196 176.300 176.300 -0.326 0.000 1.118 250 D CA 1.150 54.990 54.000 -0.268 0.000 1.017 250 D CB 1.408 42.140 40.800 -0.113 0.000 1.120 250 D HN 1.278 nan 8.370 nan 0.000 0.541 251 S N 0.307 115.906 115.700 -0.168 0.000 4.044 251 S HA -0.183 4.287 4.470 0.000 0.000 0.371 251 S C -1.123 173.436 174.600 -0.069 0.000 0.977 251 S CA -0.127 58.017 58.200 -0.094 0.000 1.092 251 S CB -1.613 61.521 63.200 -0.109 0.000 0.845 251 S HN 0.472 nan 8.310 nan 0.000 0.496 252 W N 2.744 124.044 121.300 0.000 0.000 2.437 252 W HA 0.396 5.056 4.660 0.000 0.000 0.312 252 W C 1.135 177.655 176.519 0.001 0.000 1.242 252 W CA -0.051 57.295 57.345 0.001 0.000 1.340 252 W CB 0.724 30.186 29.460 0.002 0.000 1.327 252 W HN 0.485 nan 8.180 nan 0.000 0.476 253 T N -0.685 114.066 114.554 0.327 0.000 2.944 253 T HA 0.254 4.604 4.350 0.000 0.000 0.284 253 T C 1.004 175.795 174.700 0.152 0.000 1.010 253 T CA -0.971 61.236 62.100 0.178 0.000 1.025 253 T CB 1.492 70.430 68.868 0.116 0.000 1.079 253 T HN 0.163 nan 8.240 nan 0.000 0.516 254 V N 1.483 121.448 119.914 0.086 0.000 2.219 254 V HA -0.284 3.836 4.120 0.000 0.000 0.248 254 V C 2.789 178.913 176.094 0.050 0.000 1.053 254 V CA 2.422 64.752 62.300 0.050 0.000 1.009 254 V CB -1.265 30.577 31.823 0.032 0.000 0.636 254 V HN 1.047 nan 8.190 nan 0.000 0.445 255 N N -0.061 118.673 118.700 0.056 0.000 2.049 255 N HA -0.297 4.443 4.740 0.000 0.000 0.198 255 N C 1.619 177.173 175.510 0.075 0.000 1.030 255 N CA 2.009 55.090 53.050 0.051 0.000 0.870 255 N CB -0.205 38.311 38.487 0.048 0.000 1.045 255 N HN 0.503 nan 8.380 nan 0.000 0.434 256 D N 0.432 120.916 120.400 0.141 0.000 2.190 256 D HA -0.144 4.496 4.640 0.000 0.000 0.200 256 D C 1.952 178.329 176.300 0.128 0.000 0.992 256 D CA 0.676 54.823 54.000 0.245 0.000 0.854 256 D CB -0.100 41.012 40.800 0.519 0.000 0.936 256 D HN 0.375 nan 8.370 nan 0.000 0.462 257 I N 0.875 121.455 120.570 0.018 0.000 2.235 257 I HA -0.166 4.004 4.170 0.000 0.000 0.241 257 I C 2.374 178.444 176.117 -0.078 0.000 1.085 257 I CA 0.894 62.113 61.300 -0.136 0.000 1.378 257 I CB -1.235 36.683 38.000 -0.137 0.000 1.076 257 I HN 0.062 nan 8.210 nan 0.000 0.415 258 Q N 0.911 120.694 119.800 -0.029 0.000 2.014 258 Q HA -0.256 4.084 4.340 0.000 0.000 0.207 258 Q C 2.257 178.249 176.000 -0.013 0.000 0.993 258 Q CA 1.894 57.685 55.803 -0.019 0.000 0.850 258 Q CB -0.325 28.410 28.738 -0.004 0.000 0.916 258 Q HN 0.403 nan 8.270 nan 0.000 0.417 259 K N 0.380 120.783 120.400 0.004 0.000 2.034 259 K HA -0.223 4.097 4.320 0.000 0.000 0.214 259 K C 2.074 178.679 176.600 0.009 0.000 1.051 259 K CA 1.471 57.765 56.287 0.013 0.000 0.931 259 K CB -0.370 32.156 32.500 0.045 0.000 0.715 259 K HN 0.062 nan 8.250 nan 0.000 0.446 260 L N 0.627 121.848 121.223 -0.003 0.000 2.081 260 L HA -0.226 4.114 4.340 0.000 0.000 0.212 260 L C 1.995 178.849 176.870 -0.027 0.000 1.080 260 L CA 1.502 56.324 54.840 -0.029 0.000 0.754 260 L CB -0.202 41.766 42.059 -0.151 0.000 0.893 260 L HN 0.007 nan 8.230 nan 0.000 0.433 261 V N -0.880 119.012 119.914 -0.036 0.000 2.453 261 V HA -0.105 4.016 4.120 0.000 0.000 0.247 261 V C 2.524 178.629 176.094 0.018 0.000 1.048 261 V CA 1.472 63.762 62.300 -0.018 0.000 1.049 261 V CB -1.424 30.381 31.823 -0.029 0.000 0.672 261 V HN 0.586 nan 8.190 nan 0.000 0.457 262 G N -0.016 108.794 108.800 0.015 0.000 2.480 262 G HA2 -0.261 3.699 3.960 0.000 0.000 0.216 262 G HA3 -0.261 3.699 3.960 0.000 0.000 0.216 262 G C 1.616 176.558 174.900 0.070 0.000 1.200 262 G CA 0.975 46.093 45.100 0.030 0.000 0.782 262 G HN 0.420 nan 8.290 nan 0.000 0.554 263 K N -0.174 120.256 120.400 0.051 0.000 2.097 263 K HA -0.162 4.158 4.320 0.000 0.000 0.214 263 K C 2.570 179.263 176.600 0.155 0.000 1.052 263 K CA 1.511 57.853 56.287 0.092 0.000 0.932 263 K CB -0.404 32.138 32.500 0.070 0.000 0.716 263 K HN 0.302 nan 8.250 nan 0.000 0.455 264 L N 0.967 122.257 121.223 0.111 0.000 2.005 264 L HA -0.218 4.122 4.340 0.000 0.000 0.207 264 L C 2.164 179.115 176.870 0.136 0.000 1.072 264 L CA 1.058 55.968 54.840 0.116 0.000 0.744 264 L CB -0.631 41.465 42.059 0.062 0.000 0.895 264 L HN 0.234 nan 8.230 nan 0.000 0.433 265 N N -0.258 118.516 118.700 0.124 0.000 2.036 265 N HA -0.320 4.420 4.740 0.000 0.000 0.199 265 N C 1.589 177.199 175.510 0.167 0.000 1.036 265 N CA 2.064 55.189 53.050 0.126 0.000 0.870 265 N CB -0.671 37.895 38.487 0.132 0.000 1.055 265 N HN 0.521 nan 8.380 nan 0.000 0.436 266 W N 1.883 123.181 121.300 -0.004 0.000 2.302 266 W HA -0.263 4.397 4.660 0.000 0.000 0.320 266 W C 2.317 178.816 176.519 -0.034 0.000 1.241 266 W CA 2.084 59.409 57.345 -0.033 0.000 1.264 266 W CB -0.305 29.118 29.460 -0.061 0.000 1.154 266 W HN 0.110 nan 8.180 nan 0.000 0.483 267 A N 0.624 123.510 122.820 0.111 0.000 1.940 267 A HA -0.257 4.063 4.320 0.000 0.000 0.219 267 A C 1.948 179.497 177.584 -0.058 0.000 1.176 267 A CA 2.524 54.561 52.037 -0.000 0.000 0.631 267 A CB -1.256 17.919 19.000 0.292 0.000 0.814 267 A HN 0.367 nan 8.150 nan 0.000 0.446 268 S N 0.129 115.848 115.700 0.033 0.000 2.420 268 S HA -0.304 4.166 4.470 0.000 0.000 0.237 268 S C 1.847 176.428 174.600 -0.033 0.000 1.023 268 S CA 1.637 59.852 58.200 0.026 0.000 0.991 268 S CB -0.475 62.739 63.200 0.024 0.000 0.792 268 S HN 0.756 nan 8.310 nan 0.000 0.488 269 Q N -0.016 119.727 119.800 -0.094 0.000 2.096 269 Q HA -0.134 4.207 4.340 0.000 0.000 0.208 269 Q C 2.085 178.135 176.000 0.084 0.000 0.993 269 Q CA 1.681 57.477 55.803 -0.012 0.000 0.862 269 Q CB -0.227 28.484 28.738 -0.045 0.000 0.915 269 Q HN 0.541 nan 8.270 nan 0.000 0.416 270 I N -1.772 118.770 120.570 -0.046 0.000 3.616 270 I HA 0.001 4.171 4.170 0.000 0.000 0.296 270 I C -0.352 175.737 176.117 -0.046 0.000 1.226 270 I CA -0.008 61.232 61.300 -0.101 0.000 1.394 270 I CB 0.512 38.258 38.000 -0.423 0.000 1.171 270 I HN -0.016 nan 8.210 nan 0.000 0.442 271 Y N 3.998 124.257 120.300 -0.069 0.000 2.680 271 Y HA 0.299 4.849 4.550 0.000 0.000 0.356 271 Y C -2.028 173.844 175.900 -0.045 0.000 1.122 271 Y CA -3.371 54.694 58.100 -0.059 0.000 1.509 271 Y CB -1.053 37.380 38.460 -0.045 0.000 1.245 271 Y HN 0.133 nan 8.280 nan 0.000 0.513 272 P HA 0.174 nan 4.420 nan 0.000 0.263 272 P C 0.895 178.213 177.300 0.031 0.000 1.276 272 P CA 0.967 64.100 63.100 0.054 0.000 0.986 272 P CB 0.333 32.062 31.700 0.048 0.000 1.105 273 G N 3.186 111.998 108.800 0.021 0.000 3.006 273 G HA2 -0.168 3.792 3.960 0.000 0.000 0.195 273 G HA3 -0.168 3.792 3.960 0.000 0.000 0.195 273 G C 0.191 175.094 174.900 0.005 0.000 1.034 273 G CA -0.595 44.510 45.100 0.008 0.000 0.807 273 G HN 0.422 nan 8.290 nan 0.000 0.469 274 I N 2.311 122.891 120.570 0.017 0.000 3.089 274 I HA -0.013 4.157 4.170 0.000 0.000 0.321 274 I C 0.706 176.829 176.117 0.010 0.000 1.222 274 I CA 1.082 62.393 61.300 0.018 0.000 1.452 274 I CB 0.222 38.254 38.000 0.053 0.000 1.321 274 I HN 0.138 nan 8.210 nan 0.000 0.539 275 K N 5.020 125.420 120.400 -0.001 0.000 2.166 275 K HA 0.606 4.926 4.320 0.000 0.000 0.245 275 K C 0.027 176.622 176.600 -0.008 0.000 0.967 275 K CA -0.712 55.572 56.287 -0.005 0.000 0.863 275 K CB 2.430 34.921 32.500 -0.014 0.000 1.107 275 K HN 0.373 nan 8.250 nan 0.000 0.436 276 V N 0.751 120.657 119.914 -0.012 0.000 3.544 276 V HA 0.056 4.176 4.120 0.000 0.000 0.298 276 V C 1.462 177.539 176.094 -0.028 0.000 1.580 276 V CA -0.330 61.958 62.300 -0.020 0.000 1.122 276 V CB 0.187 32.004 31.823 -0.010 0.000 0.951 276 V HN 0.743 nan 8.190 nan 0.000 0.448 277 R N 1.348 121.832 120.500 -0.026 0.000 2.196 277 R HA -0.243 4.098 4.340 0.000 0.000 0.227 277 R C 2.249 178.530 176.300 -0.032 0.000 1.108 277 R CA 2.697 58.781 56.100 -0.027 0.000 0.884 277 R CB -0.142 30.145 30.300 -0.023 0.000 0.839 277 R HN 0.474 nan 8.270 nan 0.000 0.431 278 Q N 0.509 120.287 119.800 -0.035 0.000 2.045 278 Q HA -0.195 4.145 4.340 0.000 0.000 0.206 278 Q C 2.395 178.361 176.000 -0.056 0.000 0.991 278 Q CA 1.668 57.446 55.803 -0.040 0.000 0.851 278 Q CB -0.580 28.133 28.738 -0.041 0.000 0.911 278 Q HN 0.498 nan 8.270 nan 0.000 0.418 279 L N 0.438 121.617 121.223 -0.073 0.000 2.131 279 L HA -0.169 4.171 4.340 0.000 0.000 0.210 279 L C 2.657 179.480 176.870 -0.080 0.000 1.092 279 L CA 1.097 55.876 54.840 -0.101 0.000 0.759 279 L CB -0.379 41.604 42.059 -0.126 0.000 0.903 279 L HN 0.194 nan 8.230 nan 0.000 0.435 280 S N -0.289 115.378 115.700 -0.056 0.000 2.357 280 S HA -0.183 4.287 4.470 0.000 0.000 0.221 280 S C 2.411 176.990 174.600 -0.035 0.000 1.031 280 S CA 1.573 59.749 58.200 -0.041 0.000 0.982 280 S CB -0.036 63.145 63.200 -0.031 0.000 0.853 280 S HN 0.403 nan 8.310 nan 0.000 0.458 281 K N 1.264 121.645 120.400 -0.032 0.000 2.063 281 K HA 0.009 4.329 4.320 0.000 0.000 0.208 281 K C 2.484 179.070 176.600 -0.025 0.000 1.048 281 K CA 1.890 58.162 56.287 -0.024 0.000 0.928 281 K CB -2.153 30.335 32.500 -0.020 0.000 0.713 281 K HN 0.635 nan 8.250 nan 0.000 0.442 282 L N 0.583 121.786 121.223 -0.035 0.000 2.013 282 L HA 0.168 4.508 4.340 0.000 0.000 0.212 282 L C 3.320 180.174 176.870 -0.026 0.000 1.073 282 L CA 3.184 58.004 54.840 -0.033 0.000 0.753 282 L CB -2.077 39.951 42.059 -0.052 0.000 0.890 282 L HN 0.921 nan 8.230 nan 0.000 0.432 283 L N -0.456 120.749 121.223 -0.031 0.000 2.642 283 L HA 0.261 4.601 4.340 0.000 0.000 0.236 283 L C 2.963 179.826 176.870 -0.012 0.000 1.169 283 L CA 2.231 57.058 54.840 -0.021 0.000 0.851 283 L CB -2.869 39.175 42.059 -0.025 0.000 0.968 283 L HN 0.931 nan 8.230 nan 0.000 0.453 284 R N 0.577 121.070 120.500 -0.011 0.000 2.425 284 R HA 0.333 4.673 4.340 0.000 0.000 0.206 284 R C 1.172 177.471 176.300 -0.002 0.000 1.117 284 R CA 0.906 57.002 56.100 -0.006 0.000 1.098 284 R CB -1.899 28.398 30.300 -0.005 0.000 0.843 284 R HN 1.089 nan 8.270 nan 0.000 0.480 285 G N -2.060 106.740 108.800 -0.001 0.000 2.531 285 G HA2 0.562 4.522 3.960 0.000 0.000 0.313 285 G HA3 0.562 4.522 3.960 0.000 0.000 0.313 285 G C 0.473 175.375 174.900 0.003 0.000 1.238 285 G CA 0.271 45.372 45.100 0.002 0.000 0.994 285 G HN 0.709 nan 8.290 nan 0.000 0.493 286 T N -1.508 113.049 114.554 0.004 0.000 2.810 286 T HA 0.639 4.989 4.350 0.000 0.000 0.277 286 T C 0.770 175.473 174.700 0.005 0.000 0.973 286 T CA 0.325 62.428 62.100 0.004 0.000 0.949 286 T CB -0.092 68.779 68.868 0.005 0.000 1.075 286 T HN 1.048 nan 8.240 nan 0.000 0.537 287 K N 0.355 120.758 120.400 0.005 0.000 2.319 287 K HA 0.541 4.861 4.320 0.000 0.000 0.277 287 K C 0.501 177.105 176.600 0.007 0.000 1.111 287 K CA 0.283 56.574 56.287 0.006 0.000 1.093 287 K CB -1.126 31.377 32.500 0.005 0.000 0.910 287 K HN 1.640 nan 8.250 nan 0.000 0.452 288 A N 1.600 124.426 122.820 0.010 0.000 2.602 288 A HA 0.506 4.826 4.320 0.000 0.000 0.238 288 A C 1.904 179.497 177.584 0.015 0.000 0.863 288 A CA 0.546 52.590 52.037 0.011 0.000 1.148 288 A CB -0.749 18.258 19.000 0.012 0.000 1.227 288 A HN 1.707 nan 8.150 nan 0.000 0.460 289 L N -1.138 120.094 121.223 0.014 0.000 2.211 289 L HA -0.070 4.270 4.340 0.000 0.000 0.216 289 L C 2.566 179.451 176.870 0.024 0.000 1.092 289 L CA 3.570 58.421 54.840 0.019 0.000 0.767 289 L CB -2.275 39.793 42.059 0.015 0.000 0.894 289 L HN 0.855 nan 8.230 nan 0.000 0.437 290 T N -1.450 113.116 114.554 0.020 0.000 2.985 290 T HA 0.335 4.685 4.350 0.000 0.000 0.266 290 T C 1.315 176.030 174.700 0.025 0.000 1.076 290 T CA 1.765 63.878 62.100 0.021 0.000 1.135 290 T CB -0.532 68.345 68.868 0.014 0.000 0.890 290 T HN 1.126 nan 8.240 nan 0.000 0.480 291 E N -0.089 120.126 120.200 0.025 0.000 2.605 291 E HA 0.702 5.053 4.350 0.000 0.000 0.255 291 E C 0.280 176.904 176.600 0.041 0.000 1.369 291 E CA -0.037 56.380 56.400 0.028 0.000 1.017 291 E CB -0.491 29.223 29.700 0.023 0.000 1.086 291 E HN 1.104 nan 8.360 nan 0.000 0.605 292 V N -1.310 118.629 119.914 0.043 0.000 2.481 292 V HA 0.688 4.808 4.120 0.000 0.000 0.286 292 V C 0.531 176.659 176.094 0.057 0.000 1.042 292 V CA 0.003 62.339 62.300 0.061 0.000 0.928 292 V CB 0.912 32.770 31.823 0.058 0.000 0.986 292 V HN 1.430 nan 8.190 nan 0.000 0.462 293 I N 4.109 124.724 120.570 0.075 0.000 2.388 293 I HA 0.699 4.869 4.170 0.000 0.000 0.281 293 I C -2.395 173.759 176.117 0.061 0.000 1.046 293 I CA -2.403 58.927 61.300 0.050 0.000 1.187 293 I CB 0.624 38.641 38.000 0.029 0.000 1.351 293 I HN 0.674 nan 8.210 nan 0.000 0.472 294 P HA 0.363 nan 4.420 nan 0.000 0.267 294 P C -0.557 176.759 177.300 0.027 0.000 1.328 294 P CA -0.203 62.929 63.100 0.052 0.000 0.990 294 P CB 0.207 31.930 31.700 0.038 0.000 1.168 295 L N 3.588 124.826 121.223 0.025 0.000 2.361 295 L HA 0.157 4.497 4.340 0.000 0.000 0.278 295 L C 1.555 178.426 176.870 0.002 0.000 1.113 295 L CA 0.557 55.383 54.840 -0.023 0.000 0.849 295 L CB -0.075 41.926 42.059 -0.097 0.000 1.155 295 L HN 0.338 nan 8.230 nan 0.000 0.452 296 T N 0.178 114.727 114.554 -0.008 0.000 2.715 296 T HA 0.315 4.666 4.350 0.000 0.000 0.320 296 T C 1.357 176.057 174.700 -0.000 0.000 1.046 296 T CA 0.386 62.487 62.100 0.001 0.000 0.983 296 T CB 0.488 69.355 68.868 -0.002 0.000 1.183 296 T HN 0.641 nan 8.240 nan 0.000 0.522 297 E N -0.318 119.883 120.200 0.003 0.000 2.072 297 E HA 0.042 4.392 4.350 0.000 0.000 0.190 297 E C 2.492 179.088 176.600 -0.006 0.000 0.982 297 E CA 1.935 58.337 56.400 0.003 0.000 0.803 297 E CB -1.812 27.891 29.700 0.005 0.000 0.755 297 E HN 0.969 nan 8.360 nan 0.000 0.453 298 E N 0.419 120.613 120.200 -0.010 0.000 2.130 298 E HA 0.071 4.421 4.350 0.000 0.000 0.196 298 E C 2.416 179.001 176.600 -0.025 0.000 0.998 298 E CA 2.156 58.547 56.400 -0.015 0.000 0.806 298 E CB -0.854 28.837 29.700 -0.014 0.000 0.738 298 E HN 0.859 nan 8.360 nan 0.000 0.459 299 A N 0.417 123.216 122.820 -0.034 0.000 1.843 299 A HA 0.230 4.550 4.320 0.000 0.000 0.213 299 A C 2.576 180.126 177.584 -0.057 0.000 1.202 299 A CA 2.342 54.345 52.037 -0.056 0.000 0.607 299 A CB -0.941 18.012 19.000 -0.078 0.000 0.847 299 A HN 0.744 nan 8.150 nan 0.000 0.445 300 E N -0.490 119.684 120.200 -0.042 0.000 2.233 300 E HA -0.044 4.306 4.350 0.000 0.000 0.199 300 E C 2.156 178.750 176.600 -0.011 0.000 1.004 300 E CA 2.331 58.719 56.400 -0.020 0.000 0.819 300 E CB -1.738 27.971 29.700 0.015 0.000 0.738 300 E HN 1.281 nan 8.360 nan 0.000 0.478 301 L N -0.119 121.096 121.223 -0.014 0.000 2.093 301 L HA 0.278 4.618 4.340 0.000 0.000 0.208 301 L C 2.724 179.584 176.870 -0.017 0.000 1.085 301 L CA 2.946 57.779 54.840 -0.011 0.000 0.755 301 L CB -1.790 40.262 42.059 -0.012 0.000 0.904 301 L HN 0.737 nan 8.230 nan 0.000 0.435 302 E N -0.123 120.060 120.200 -0.027 0.000 2.086 302 E HA -0.005 4.345 4.350 0.000 0.000 0.190 302 E C 2.170 178.751 176.600 -0.032 0.000 0.975 302 E CA 1.046 57.428 56.400 -0.030 0.000 0.813 302 E CB -0.651 29.027 29.700 -0.036 0.000 0.768 302 E HN 0.713 nan 8.360 nan 0.000 0.457 303 L N 1.528 122.725 121.223 -0.043 0.000 1.941 303 L HA -0.084 4.257 4.340 0.000 0.000 0.224 303 L C 2.755 179.618 176.870 -0.012 0.000 1.081 303 L CA 3.301 58.117 54.840 -0.040 0.000 0.784 303 L CB -1.376 40.647 42.059 -0.060 0.000 0.894 303 L HN 0.344 nan 8.230 nan 0.000 0.436 304 A N -1.214 121.608 122.820 0.002 0.000 2.093 304 A HA -0.307 4.013 4.320 0.000 0.000 0.222 304 A C 2.279 179.860 177.584 -0.005 0.000 1.162 304 A CA 2.040 54.084 52.037 0.011 0.000 0.655 304 A CB -0.796 18.215 19.000 0.017 0.000 0.805 304 A HN 0.759 nan 8.150 nan 0.000 0.461 305 E N -0.304 119.888 120.200 -0.014 0.000 2.033 305 E HA -0.156 4.194 4.350 0.000 0.000 0.189 305 E C 1.777 178.359 176.600 -0.031 0.000 0.979 305 E CA 0.989 57.376 56.400 -0.022 0.000 0.802 305 E CB -0.107 29.580 29.700 -0.022 0.000 0.763 305 E HN 0.561 nan 8.360 nan 0.000 0.449 306 N N 0.785 119.467 118.700 -0.029 0.000 2.166 306 N HA -0.185 4.555 4.740 0.000 0.000 0.186 306 N C 1.751 177.231 175.510 -0.050 0.000 1.019 306 N CA 0.859 53.887 53.050 -0.037 0.000 0.856 306 N CB -0.358 38.118 38.487 -0.019 0.000 0.993 306 N HN 0.161 nan 8.380 nan 0.000 0.426 307 R N 1.064 121.548 120.500 -0.027 0.000 2.139 307 R HA -0.191 4.149 4.340 0.000 0.000 0.243 307 R C 1.831 178.105 176.300 -0.044 0.000 1.145 307 R CA 1.540 57.628 56.100 -0.020 0.000 0.976 307 R CB -0.002 30.302 30.300 0.007 0.000 0.866 307 R HN 0.128 nan 8.270 nan 0.000 0.449 308 E N 0.505 120.676 120.200 -0.049 0.000 2.046 308 E HA -0.115 4.236 4.350 0.000 0.000 0.190 308 E C 1.800 178.341 176.600 -0.098 0.000 0.982 308 E CA 1.565 57.931 56.400 -0.058 0.000 0.800 308 E CB -0.124 29.550 29.700 -0.044 0.000 0.756 308 E HN 0.439 nan 8.360 nan 0.000 0.449 309 I N 0.097 120.593 120.570 -0.124 0.000 2.163 309 I HA -0.187 3.983 4.170 0.000 0.000 0.240 309 I C 2.293 178.198 176.117 -0.354 0.000 1.081 309 I CA 0.659 61.840 61.300 -0.197 0.000 1.353 309 I CB -0.312 37.584 38.000 -0.174 0.000 1.054 309 I HN 0.158 nan 8.210 nan 0.000 0.407 310 L N 1.598 122.614 121.223 -0.345 0.000 2.447 310 L HA -0.230 4.110 4.340 0.000 0.000 0.225 310 L C 2.664 179.374 176.870 -0.267 0.000 1.148 310 L CA 1.999 56.583 54.840 -0.426 0.000 0.808 310 L CB -0.795 41.180 42.059 -0.140 0.000 0.928 310 L HN 0.198 nan 8.230 nan 0.000 0.448 311 K N -0.103 120.188 120.400 -0.183 0.000 2.044 311 K HA 0.204 4.525 4.320 0.000 0.000 0.204 311 K C 1.162 177.705 176.600 -0.095 0.000 1.049 311 K CA 1.208 57.436 56.287 -0.097 0.000 0.945 311 K CB -1.261 31.200 32.500 -0.066 0.000 0.724 311 K HN 0.497 nan 8.250 nan 0.000 0.440 312 E N 3.105 123.225 120.200 -0.134 0.000 2.044 312 E HA 0.394 4.744 4.350 0.000 0.000 0.282 312 E C -2.444 174.099 176.600 -0.096 0.000 1.031 312 E CA -2.401 53.946 56.400 -0.089 0.000 0.824 312 E CB -0.108 29.546 29.700 -0.076 0.000 1.076 312 E HN 0.514 nan 8.360 nan 0.000 0.395 313 P HA 0.113 nan 4.420 nan 0.000 0.262 313 P C -0.375 177.033 177.300 0.180 0.000 1.182 313 P CA 0.039 63.228 63.100 0.149 0.000 0.761 313 P CB 0.896 32.669 31.700 0.122 0.000 0.795 314 V N 4.192 124.312 119.914 0.343 0.000 2.815 314 V HA 0.443 4.563 4.120 0.000 0.000 0.314 314 V C 0.340 176.431 176.094 -0.006 0.000 1.064 314 V CA -0.623 61.764 62.300 0.146 0.000 0.952 314 V CB 1.838 33.775 31.823 0.191 0.000 1.020 314 V HN 0.796 nan 8.190 nan 0.000 0.439 315 H N 0.936 119.924 119.070 -0.136 0.000 2.690 315 H HA 0.788 5.344 4.556 0.000 0.000 0.368 315 H C -0.453 174.658 175.328 -0.361 0.000 1.150 315 H CA -0.686 55.190 56.048 -0.287 0.000 1.174 315 H CB 2.361 32.005 29.762 -0.197 0.000 1.684 315 H HN 0.795 nan 8.280 nan 0.000 0.538 316 G N 1.210 109.633 108.800 -0.627 0.000 2.432 316 G HA2 0.498 4.458 3.960 0.000 0.000 0.331 316 G HA3 0.498 4.458 3.960 0.000 0.000 0.331 316 G C 0.054 174.807 174.900 -0.245 0.000 1.170 316 G CA -0.310 44.488 45.100 -0.504 0.000 0.943 316 G HN 0.722 nan 8.290 nan 0.000 0.483 317 V N -0.816 119.130 119.914 0.054 0.000 3.463 317 V HA 0.730 4.850 4.120 0.000 0.000 0.302 317 V C -0.494 175.739 176.094 0.231 0.000 1.097 317 V CA -1.236 61.112 62.300 0.081 0.000 1.003 317 V CB 0.933 32.838 31.823 0.137 0.000 1.229 317 V HN 0.551 nan 8.190 nan 0.000 0.444 318 Y N -0.983 119.520 120.300 0.338 0.000 2.545 318 Y HA 0.570 5.120 4.550 0.000 0.000 0.324 318 Y C -0.063 176.013 175.900 0.293 0.000 1.220 318 Y CA -1.058 57.227 58.100 0.309 0.000 1.290 318 Y CB 0.683 39.280 38.460 0.230 0.000 1.355 318 Y HN 0.722 nan 8.280 nan 0.000 0.516 319 Y N 1.770 122.275 120.300 0.341 0.000 2.304 319 Y HA 0.298 4.848 4.550 0.000 0.000 0.327 319 Y C -0.489 175.493 175.900 0.136 0.000 1.209 319 Y CA -1.232 56.988 58.100 0.201 0.000 1.299 319 Y CB 0.730 39.368 38.460 0.297 0.000 1.249 319 Y HN 0.602 nan 8.280 nan 0.000 0.519 320 D N 6.902 127.174 120.400 -0.214 0.000 2.375 320 D HA 0.367 5.008 4.640 0.000 0.000 0.259 320 D C -2.545 173.330 176.300 -0.708 0.000 1.235 320 D CA -2.365 51.446 54.000 -0.316 0.000 0.924 320 D CB 1.658 42.410 40.800 -0.080 0.000 1.143 320 D HN 0.232 nan 8.370 nan 0.000 0.529 321 P HA -0.118 nan 4.420 nan 0.000 0.231 321 P C 0.964 178.076 177.300 -0.313 0.000 1.154 321 P CA 0.854 63.483 63.100 -0.786 0.000 0.762 321 P CB 0.136 31.580 31.700 -0.427 0.000 0.790 322 S N -2.816 112.744 115.700 -0.234 0.000 2.528 322 S HA 0.174 4.644 4.470 0.000 0.000 0.219 322 S C 0.964 175.523 174.600 -0.069 0.000 0.985 322 S CA 0.066 58.199 58.200 -0.110 0.000 0.914 322 S CB -0.678 62.474 63.200 -0.079 0.000 0.776 322 S HN 0.083 nan 8.310 nan 0.000 0.526 323 K N 0.870 121.227 120.400 -0.072 0.000 2.318 323 K HA 0.593 4.913 4.320 0.000 0.000 0.249 323 K C -1.224 175.395 176.600 0.031 0.000 0.942 323 K CA -0.776 55.504 56.287 -0.013 0.000 0.808 323 K CB 0.322 32.822 32.500 -0.000 0.000 1.189 323 K HN 0.207 nan 8.250 nan 0.000 0.428 324 D N 1.337 121.738 120.400 0.000 0.000 2.425 324 D HA 0.208 4.848 4.640 0.000 0.000 0.247 324 D C -0.017 176.228 176.300 -0.092 0.000 1.147 324 D CA 0.137 54.117 54.000 -0.033 0.000 0.879 324 D CB 0.475 41.242 40.800 -0.054 0.000 1.179 324 D HN 0.458 nan 8.370 nan 0.000 0.456 325 L N 3.325 124.444 121.223 -0.174 0.000 2.397 325 L HA 0.375 4.715 4.340 0.000 0.000 0.271 325 L C 0.049 176.669 176.870 -0.417 0.000 1.148 325 L CA -0.215 54.398 54.840 -0.378 0.000 0.825 325 L CB 0.592 42.322 42.059 -0.548 0.000 1.117 325 L HN 0.272 nan 8.230 nan 0.000 0.456 326 I N 2.375 122.615 120.570 -0.551 0.000 2.582 326 I HA 0.578 4.748 4.170 0.000 0.000 0.292 326 I C -0.528 175.117 176.117 -0.786 0.000 1.066 326 I CA -0.408 60.485 61.300 -0.679 0.000 1.053 326 I CB 2.153 39.665 38.000 -0.813 0.000 1.241 326 I HN 0.581 nan 8.210 nan 0.000 0.421 327 A N 4.913 127.364 122.820 -0.616 0.000 2.353 327 A HA 0.677 4.997 4.320 0.000 0.000 0.299 327 A C -0.931 176.610 177.584 -0.072 0.000 1.089 327 A CA -0.456 51.366 52.037 -0.359 0.000 0.736 327 A CB 1.272 20.015 19.000 -0.428 0.000 1.195 327 A HN 0.741 nan 8.150 nan 0.000 0.447 328 E N 2.524 122.737 120.200 0.021 0.000 2.199 328 E HA 0.718 5.068 4.350 0.000 0.000 0.269 328 E C -1.419 175.319 176.600 0.229 0.000 0.899 328 E CA -0.474 56.014 56.400 0.147 0.000 0.772 328 E CB 1.246 31.062 29.700 0.194 0.000 1.155 328 E HN 0.631 nan 8.360 nan 0.000 0.408 329 I N 3.421 124.129 120.570 0.229 0.000 2.689 329 I HA 0.297 4.467 4.170 0.000 0.000 0.299 329 I C -0.746 175.538 176.117 0.277 0.000 1.059 329 I CA -0.770 60.698 61.300 0.280 0.000 1.055 329 I CB 1.982 40.117 38.000 0.226 0.000 1.243 329 I HN 0.514 nan 8.210 nan 0.000 0.425 330 Q N 4.535 124.525 119.800 0.317 0.000 2.379 330 Q HA 0.390 4.730 4.340 0.000 0.000 0.278 330 Q C -1.394 174.709 176.000 0.172 0.000 1.068 330 Q CA -1.140 54.793 55.803 0.216 0.000 0.816 330 Q CB 2.751 31.560 28.738 0.118 0.000 1.387 330 Q HN 0.532 nan 8.270 nan 0.000 0.413 331 K N 2.523 122.813 120.400 -0.182 0.000 2.219 331 K HA 0.032 4.352 4.320 0.000 0.000 0.280 331 K C 1.089 177.451 176.600 -0.397 0.000 1.104 331 K CA 0.152 55.970 56.287 -0.782 0.000 0.925 331 K CB 0.646 32.388 32.500 -1.264 0.000 1.261 331 K HN 0.791 nan 8.250 nan 0.000 0.445 332 Q N 2.577 122.239 119.800 -0.230 0.000 2.050 332 Q HA -0.047 4.293 4.340 0.000 0.000 0.202 332 Q C 0.276 176.183 176.000 -0.154 0.000 0.980 332 Q CA 1.112 56.839 55.803 -0.127 0.000 0.840 332 Q CB 0.055 28.767 28.738 -0.044 0.000 0.898 332 Q HN 0.565 nan 8.270 nan 0.000 0.424 333 G N 0.015 108.693 108.800 -0.203 0.000 2.658 333 G HA2 0.281 4.241 3.960 0.000 0.000 0.301 333 G HA3 0.281 4.241 3.960 0.000 0.000 0.301 333 G C -1.044 173.765 174.900 -0.151 0.000 1.481 333 G CA -0.245 44.762 45.100 -0.155 0.000 0.931 333 G HN 0.476 nan 8.290 nan 0.000 0.573 334 Q N 0.050 119.775 119.800 -0.125 0.000 1.802 334 Q HA -0.281 4.059 4.340 0.000 0.000 0.387 334 Q C 1.499 177.457 176.000 -0.071 0.000 0.822 334 Q CA 2.161 57.922 55.803 -0.070 0.000 0.840 334 Q CB -1.594 27.127 28.738 -0.029 0.000 3.553 334 Q HN 1.984 nan 8.270 nan 0.000 0.735 335 G N 0.733 109.536 108.800 0.006 0.000 2.920 335 G HA2 0.057 4.017 3.960 0.000 0.000 0.208 335 G HA3 0.057 4.017 3.960 0.000 0.000 0.208 335 G C 0.398 175.388 174.900 0.150 0.000 1.159 335 G CA 0.226 45.388 45.100 0.104 0.000 0.784 335 G HN 0.349 nan 8.290 nan 0.000 0.535 336 Q N -0.140 119.674 119.800 0.023 0.000 2.256 336 Q HA 0.366 4.706 4.340 0.000 0.000 0.254 336 Q C -1.162 174.853 176.000 0.024 0.000 0.916 336 Q CA -0.337 55.505 55.803 0.066 0.000 0.932 336 Q CB 1.283 30.024 28.738 0.005 0.000 1.207 336 Q HN 0.354 nan 8.270 nan 0.000 0.426 337 W N 0.537 121.862 121.300 0.042 0.000 2.929 337 W HA 0.524 5.185 4.660 0.000 0.000 0.345 337 W C -0.268 176.310 176.519 0.099 0.000 1.151 337 W CA -0.380 57.025 57.345 0.100 0.000 1.111 337 W CB 1.585 31.159 29.460 0.191 0.000 1.449 337 W HN 0.517 nan 8.180 nan 0.000 0.572 338 T N -0.957 113.841 114.554 0.406 0.000 2.868 338 T HA 0.748 5.099 4.350 0.000 0.000 0.306 338 T C -1.489 173.383 174.700 0.286 0.000 1.224 338 T CA -0.898 61.326 62.100 0.207 0.000 1.012 338 T CB 2.006 70.921 68.868 0.078 0.000 1.221 338 T HN 0.613 nan 8.240 nan 0.000 0.499 339 Y N -1.054 119.352 120.300 0.176 0.000 2.638 339 Y HA 0.788 5.338 4.550 0.000 0.000 0.335 339 Y C -1.476 174.506 175.900 0.137 0.000 1.155 339 Y CA -1.277 56.917 58.100 0.157 0.000 1.046 339 Y CB 1.557 40.110 38.460 0.156 0.000 1.303 339 Y HN 0.899 nan 8.280 nan 0.000 0.460 340 Q N 2.219 122.220 119.800 0.335 0.000 2.345 340 Q HA 0.598 4.938 4.340 0.000 0.000 0.275 340 Q C -2.008 174.089 176.000 0.162 0.000 1.063 340 Q CA -0.859 55.091 55.803 0.244 0.000 0.819 340 Q CB 3.052 31.911 28.738 0.201 0.000 1.356 340 Q HN 0.791 nan 8.270 nan 0.000 0.418 341 I N 2.894 123.527 120.570 0.105 0.000 2.382 341 I HA 0.400 4.570 4.170 0.000 0.000 0.286 341 I C -0.873 175.154 176.117 -0.150 0.000 1.002 341 I CA -0.658 60.541 61.300 -0.169 0.000 1.135 341 I CB 0.725 38.586 38.000 -0.232 0.000 1.288 341 I HN 0.534 nan 8.210 nan 0.000 0.448 342 Y N 3.367 123.576 120.300 -0.151 0.000 2.562 342 Y HA 0.661 5.211 4.550 0.000 0.000 0.343 342 Y C 0.555 176.353 175.900 -0.170 0.000 1.025 342 Y CA -0.978 57.042 58.100 -0.133 0.000 1.082 342 Y CB 0.995 39.388 38.460 -0.112 0.000 1.264 342 Y HN 0.383 nan 8.280 nan 0.000 0.478 343 Q N 0.940 120.801 119.800 0.102 0.000 2.274 343 Q HA 0.163 4.503 4.340 0.000 0.000 0.198 343 Q C -0.710 175.359 176.000 0.115 0.000 0.955 343 Q CA 0.955 56.786 55.803 0.047 0.000 0.859 343 Q CB 0.451 29.228 28.738 0.064 0.000 0.956 343 Q HN 0.958 nan 8.270 nan 0.000 0.516 344 E N 0.046 120.315 120.200 0.115 0.000 2.238 344 E HA 0.245 4.595 4.350 0.000 0.000 0.267 344 E C -2.216 174.358 176.600 -0.043 0.000 0.887 344 E CA -1.975 54.459 56.400 0.056 0.000 0.769 344 E CB 1.370 31.100 29.700 0.049 0.000 1.187 344 E HN -0.218 nan 8.360 nan 0.000 0.416 345 P HA -0.261 nan 4.420 nan 0.000 0.238 345 P C 0.016 176.959 177.300 -0.594 0.000 1.056 345 P CA 1.951 64.863 63.100 -0.315 0.000 1.038 345 P CB -0.024 31.676 31.700 0.001 0.000 0.721 346 F N -4.628 115.214 119.950 -0.181 0.000 3.022 346 F HA 0.169 4.696 4.527 0.000 0.000 0.351 346 F C 0.511 176.249 175.800 -0.103 0.000 1.170 346 F CA -0.351 57.544 58.000 -0.174 0.000 1.066 346 F CB 0.638 39.560 39.000 -0.130 0.000 1.297 346 F HN -0.422 nan 8.300 nan 0.000 0.519 347 K N 1.721 122.172 120.400 0.084 0.000 2.267 347 K HA 0.254 4.574 4.320 0.000 0.000 0.282 347 K C -0.494 176.141 176.600 0.060 0.000 1.078 347 K CA -0.378 55.949 56.287 0.066 0.000 0.903 347 K CB 0.839 33.396 32.500 0.096 0.000 1.111 347 K HN -0.062 nan 8.250 nan 0.000 0.475 348 N N 2.066 120.775 118.700 0.016 0.000 2.492 348 N HA 0.000 4.740 4.740 0.000 0.000 0.260 348 N C 0.712 176.301 175.510 0.132 0.000 1.215 348 N CA -0.094 52.999 53.050 0.073 0.000 0.923 348 N CB 0.709 39.212 38.487 0.028 0.000 1.092 348 N HN 0.391 nan 8.380 nan 0.000 0.448 349 L N 2.365 123.712 121.223 0.207 0.000 2.356 349 L HA 0.365 4.705 4.340 0.000 0.000 0.193 349 L C 0.264 177.429 176.870 0.493 0.000 1.087 349 L CA 1.296 56.328 54.840 0.320 0.000 0.817 349 L CB -0.082 42.074 42.059 0.160 0.000 1.035 349 L HN 0.505 nan 8.230 nan 0.000 0.482 350 K N -1.070 119.566 120.400 0.393 0.000 2.498 350 K HA 0.513 4.833 4.320 0.000 0.000 0.254 350 K C -1.579 175.206 176.600 0.309 0.000 0.933 350 K CA -0.425 56.138 56.287 0.461 0.000 0.806 350 K CB 1.813 34.665 32.500 0.587 0.000 1.301 350 K HN 0.010 nan 8.250 nan 0.000 0.432 351 T N 0.894 115.583 114.554 0.225 0.000 2.893 351 T HA 0.754 5.104 4.350 0.000 0.000 0.291 351 T C -0.478 174.128 174.700 -0.156 0.000 1.028 351 T CA -0.790 61.328 62.100 0.030 0.000 0.995 351 T CB 1.811 70.688 68.868 0.015 0.000 1.051 351 T HN 0.759 nan 8.240 nan 0.000 0.470 352 G N 0.995 109.359 108.800 -0.727 0.000 2.706 352 G HA2 0.805 4.765 3.960 0.000 0.000 0.307 352 G HA3 0.805 4.765 3.960 0.000 0.000 0.307 352 G C -2.119 172.145 174.900 -1.060 0.000 1.307 352 G CA -1.127 43.437 45.100 -0.894 0.000 0.790 352 G HN 0.863 nan 8.290 nan 0.000 0.503 353 K N -1.135 119.046 120.400 -0.365 0.000 2.569 353 K HA 0.499 4.819 4.320 0.000 0.000 0.259 353 K C -2.189 174.602 176.600 0.318 0.000 0.932 353 K CA -0.957 55.355 56.287 0.043 0.000 0.833 353 K CB 2.091 34.600 32.500 0.014 0.000 1.340 353 K HN 0.577 nan 8.250 nan 0.000 0.429 354 Y N 1.907 122.384 120.300 0.296 0.000 2.376 354 Y HA 0.685 5.236 4.550 0.000 0.000 0.325 354 Y C -1.237 174.775 175.900 0.186 0.000 1.199 354 Y CA -0.417 57.785 58.100 0.171 0.000 1.206 354 Y CB 1.958 40.423 38.460 0.009 0.000 1.229 354 Y HN 0.879 nan 8.280 nan 0.000 0.480 355 A N 3.839 126.008 122.820 -1.084 0.000 2.398 355 A HA 0.633 4.953 4.320 0.000 0.000 0.301 355 A C 0.188 177.221 177.584 -0.918 0.000 1.041 355 A CA -0.435 51.209 52.037 -0.655 0.000 0.711 355 A CB 0.766 19.601 19.000 -0.276 0.000 1.240 355 A HN 1.089 nan 8.150 nan 0.000 0.420 356 R N 1.212 121.512 120.500 -0.334 0.000 2.514 356 R HA 0.300 4.640 4.340 0.000 0.000 0.216 356 R C 1.541 177.829 176.300 -0.019 0.000 1.295 356 R CA 1.675 57.746 56.100 -0.048 0.000 1.246 356 R CB -1.865 28.533 30.300 0.164 0.000 1.057 356 R HN 1.865 nan 8.270 nan 0.000 0.490 357 M N -0.437 119.110 119.600 -0.089 0.000 2.260 357 M HA -0.036 4.444 4.480 0.000 0.000 0.261 357 M C 2.624 178.933 176.300 0.016 0.000 1.066 357 M CA 2.594 57.876 55.300 -0.029 0.000 1.082 357 M CB -1.958 30.617 32.600 -0.040 0.000 1.388 357 M HN 0.982 nan 8.290 nan 0.000 0.419 358 R N -0.046 120.490 120.500 0.060 0.000 2.715 358 R HA -0.028 4.312 4.340 0.000 0.000 0.161 358 R C 2.486 178.823 176.300 0.061 0.000 0.621 358 R CA 3.468 59.624 56.100 0.092 0.000 0.944 358 R CB -2.092 28.302 30.300 0.157 0.000 0.540 358 R HN 1.386 nan 8.270 nan 0.000 0.515 359 G N -2.373 106.468 108.800 0.068 0.000 2.587 359 G HA2 0.360 4.320 3.960 0.000 0.000 0.197 359 G HA3 0.360 4.320 3.960 0.000 0.000 0.197 359 G C 1.404 176.288 174.900 -0.026 0.000 1.540 359 G CA 2.359 47.484 45.100 0.042 0.000 0.910 359 G HN 1.610 nan 8.290 nan 0.000 0.437 360 A N -2.409 120.354 122.820 -0.094 0.000 1.714 360 A HA 0.434 4.754 4.320 0.000 0.000 0.158 360 A C 0.161 177.501 177.584 -0.406 0.000 1.763 360 A CA -0.137 51.697 52.037 -0.339 0.000 1.419 360 A CB -0.053 18.636 19.000 -0.519 0.000 1.113 360 A HN 0.437 nan 8.150 nan 0.000 0.895 361 H N 1.295 120.424 119.070 0.098 0.000 2.581 361 H HA 0.583 5.139 4.556 0.000 0.000 0.308 361 H C -1.131 174.259 175.328 0.104 0.000 1.040 361 H CA 0.052 56.153 56.048 0.089 0.000 1.231 361 H CB 0.762 30.567 29.762 0.072 0.000 1.396 361 H HN 0.313 nan 8.280 nan 0.000 0.467 362 T N 2.529 117.185 114.554 0.170 0.000 2.908 362 T HA 0.114 4.464 4.350 0.000 0.000 0.290 362 T C 0.714 175.474 174.700 0.100 0.000 1.034 362 T CA -1.020 61.167 62.100 0.145 0.000 1.010 362 T CB 2.221 71.172 68.868 0.139 0.000 1.068 362 T HN 0.556 nan 8.240 nan 0.000 0.481 363 N N 0.911 119.628 118.700 0.029 0.000 2.326 363 N HA 0.006 4.746 4.740 0.000 0.000 0.239 363 N C 0.109 175.558 175.510 -0.103 0.000 1.301 363 N CA 0.079 53.051 53.050 -0.130 0.000 0.909 363 N CB 1.060 39.306 38.487 -0.402 0.000 1.156 363 N HN 0.502 nan 8.380 nan 0.000 0.462 364 D N 0.902 121.214 120.400 -0.148 0.000 2.201 364 D HA 0.006 4.647 4.640 0.000 0.000 0.209 364 D C 1.896 178.161 176.300 -0.058 0.000 0.961 364 D CA 0.736 54.757 54.000 0.034 0.000 0.861 364 D CB -0.028 40.783 40.800 0.019 0.000 0.997 364 D HN 0.333 nan 8.370 nan 0.000 0.486 365 V N 1.491 121.177 119.914 -0.380 0.000 2.255 365 V HA -0.283 3.837 4.120 0.000 0.000 0.247 365 V C 2.780 178.625 176.094 -0.415 0.000 1.051 365 V CA 2.776 64.785 62.300 -0.486 0.000 1.018 365 V CB -1.142 30.053 31.823 -1.048 0.000 0.641 365 V HN 0.325 nan 8.190 nan 0.000 0.445 366 K N -0.285 119.793 120.400 -0.537 0.000 2.034 366 K HA -0.364 3.956 4.320 0.000 0.000 0.214 366 K C 2.093 178.624 176.600 -0.115 0.000 1.051 366 K CA 2.587 58.838 56.287 -0.061 0.000 0.931 366 K CB -1.154 31.371 32.500 0.042 0.000 0.715 366 K HN 0.625 nan 8.250 nan 0.000 0.446 367 Q N -0.722 119.001 119.800 -0.128 0.000 2.077 367 Q HA -0.159 4.181 4.340 0.000 0.000 0.206 367 Q C 2.245 177.889 176.000 -0.593 0.000 0.989 367 Q CA 1.844 57.519 55.803 -0.213 0.000 0.853 367 Q CB -0.293 28.485 28.738 0.066 0.000 0.907 367 Q HN 0.513 nan 8.270 nan 0.000 0.418 368 L N 0.145 121.040 121.223 -0.546 0.000 1.978 368 L HA -0.263 4.077 4.340 0.000 0.000 0.218 368 L C 2.126 178.684 176.870 -0.520 0.000 1.075 368 L CA 2.499 56.943 54.840 -0.659 0.000 0.767 368 L CB -1.132 40.773 42.059 -0.257 0.000 0.890 368 L HN 0.257 nan 8.230 nan 0.000 0.434 369 T N -0.637 113.783 114.554 -0.224 0.000 2.607 369 T HA -0.277 4.073 4.350 0.000 0.000 0.267 369 T C 1.710 176.208 174.700 -0.337 0.000 1.049 369 T CA 1.878 63.892 62.100 -0.144 0.000 1.162 369 T CB -0.450 68.489 68.868 0.117 0.000 0.863 369 T HN 0.446 nan 8.240 nan 0.000 0.424 370 E N 0.704 120.681 120.200 -0.371 0.000 2.233 370 E HA -0.182 4.168 4.350 0.000 0.000 0.199 370 E C 2.309 178.445 176.600 -0.774 0.000 1.004 370 E CA 1.049 57.140 56.400 -0.515 0.000 0.819 370 E CB -0.199 29.179 29.700 -0.536 0.000 0.738 370 E HN 0.536 nan 8.360 nan 0.000 0.478 371 A N 0.222 122.530 122.820 -0.855 0.000 1.878 371 A HA -0.065 4.255 4.320 0.000 0.000 0.213 371 A C 2.394 179.645 177.584 -0.555 0.000 1.192 371 A CA 0.635 52.223 52.037 -0.749 0.000 0.619 371 A CB -0.416 18.177 19.000 -0.679 0.000 0.837 371 A HN 0.120 nan 8.150 nan 0.000 0.446 372 V N 0.555 120.091 119.914 -0.629 0.000 2.439 372 V HA -0.344 3.776 4.120 0.000 0.000 0.253 372 V C 2.724 178.528 176.094 -0.483 0.000 1.074 372 V CA 2.550 64.356 62.300 -0.822 0.000 1.076 372 V CB -0.834 30.422 31.823 -0.946 0.000 0.664 372 V HN 0.735 nan 8.190 nan 0.000 0.461 373 Q N 1.050 120.626 119.800 -0.373 0.000 1.941 373 Q HA -0.198 4.142 4.340 0.000 0.000 0.201 373 Q C 2.192 178.083 176.000 -0.181 0.000 0.982 373 Q CA 2.155 57.822 55.803 -0.228 0.000 0.839 373 Q CB -0.594 28.020 28.738 -0.207 0.000 0.904 373 Q HN 0.433 nan 8.270 nan 0.000 0.427 374 K N 0.435 120.701 120.400 -0.223 0.000 2.127 374 K HA -0.184 4.136 4.320 0.000 0.000 0.212 374 K C 1.864 178.369 176.600 -0.158 0.000 1.050 374 K CA 2.058 58.256 56.287 -0.149 0.000 0.929 374 K CB -0.833 31.609 32.500 -0.096 0.000 0.715 374 K HN 0.467 nan 8.250 nan 0.000 0.457 375 I N -0.180 120.250 120.570 -0.234 0.000 2.090 375 I HA -0.317 3.853 4.170 0.000 0.000 0.236 375 I C 2.073 178.181 176.117 -0.015 0.000 1.064 375 I CA 1.935 63.121 61.300 -0.190 0.000 1.324 375 I CB -0.885 37.079 38.000 -0.060 0.000 1.044 375 I HN 0.223 nan 8.210 nan 0.000 0.399 376 T N 0.502 115.107 114.554 0.085 0.000 2.649 376 T HA -0.240 4.110 4.350 0.000 0.000 0.268 376 T C 1.861 176.562 174.700 0.001 0.000 1.036 376 T CA 2.398 64.540 62.100 0.069 0.000 1.157 376 T CB -0.488 68.418 68.868 0.064 0.000 0.861 376 T HN 0.418 nan 8.240 nan 0.000 0.445 377 T N 1.244 115.780 114.554 -0.029 0.000 2.622 377 T HA -0.148 4.202 4.350 0.000 0.000 0.266 377 T C 1.897 176.558 174.700 -0.066 0.000 1.047 377 T CA 1.676 63.751 62.100 -0.042 0.000 1.159 377 T CB -0.417 68.423 68.868 -0.047 0.000 0.863 377 T HN 0.558 nan 8.240 nan 0.000 0.422 378 E N 0.457 120.608 120.200 -0.081 0.000 2.130 378 E HA -0.197 4.153 4.350 0.000 0.000 0.196 378 E C 2.374 178.851 176.600 -0.206 0.000 0.998 378 E CA 1.400 57.718 56.400 -0.137 0.000 0.806 378 E CB -0.202 29.438 29.700 -0.099 0.000 0.738 378 E HN 0.392 nan 8.360 nan 0.000 0.459 379 S N -0.239 115.423 115.700 -0.063 0.000 2.348 379 S HA -0.156 4.314 4.470 0.000 0.000 0.221 379 S C 1.947 176.488 174.600 -0.097 0.000 1.033 379 S CA 1.251 59.469 58.200 0.030 0.000 1.010 379 S CB -0.270 63.057 63.200 0.212 0.000 0.891 379 S HN 0.287 nan 8.310 nan 0.000 0.442 380 I N 2.053 122.590 120.570 -0.055 0.000 2.074 380 I HA -0.172 3.999 4.170 0.000 0.000 0.238 380 I C 2.476 178.526 176.117 -0.110 0.000 1.037 380 I CA 1.330 62.599 61.300 -0.052 0.000 1.301 380 I CB -1.837 36.144 38.000 -0.033 0.000 1.016 380 I HN 0.200 nan 8.210 nan 0.000 0.400 381 V N 0.486 120.315 119.914 -0.141 0.000 2.660 381 V HA -0.259 3.861 4.120 0.000 0.000 0.257 381 V C 2.193 178.129 176.094 -0.264 0.000 1.088 381 V CA 1.711 63.911 62.300 -0.167 0.000 1.106 381 V CB -0.445 31.282 31.823 -0.160 0.000 0.686 381 V HN 0.354 nan 8.190 nan 0.000 0.481 382 I N -2.770 117.533 120.570 -0.444 0.000 3.393 382 I HA 0.051 4.221 4.170 0.000 0.000 0.250 382 I C 1.820 177.556 176.117 -0.636 0.000 1.122 382 I CA 0.407 61.292 61.300 -0.691 0.000 1.484 382 I CB -0.036 37.170 38.000 -1.324 0.000 1.468 382 I HN 0.263 nan 8.210 nan 0.000 0.461 383 W N 1.432 122.609 121.300 -0.206 0.000 3.256 383 W HA 0.306 4.966 4.660 0.000 0.000 0.269 383 W C 1.594 178.046 176.519 -0.113 0.000 1.310 383 W CA 0.797 57.956 57.345 -0.310 0.000 1.673 383 W CB -0.777 28.271 29.460 -0.686 0.000 1.115 383 W HN 0.445 nan 8.180 nan 0.000 0.686 384 G N 1.110 109.927 108.800 0.027 0.000 2.196 384 G HA2 -0.306 3.654 3.960 0.000 0.000 0.268 384 G HA3 -0.306 3.654 3.960 0.000 0.000 0.268 384 G C 0.591 175.536 174.900 0.075 0.000 0.975 384 G CA 0.855 45.985 45.100 0.049 0.000 0.648 384 G HN 0.158 nan 8.290 nan 0.000 0.538 385 K N -0.117 120.343 120.400 0.101 0.000 2.303 385 K HA 0.722 5.042 4.320 0.000 0.000 0.233 385 K C 0.062 176.685 176.600 0.037 0.000 1.046 385 K CA 0.154 56.485 56.287 0.073 0.000 0.895 385 K CB 1.274 33.823 32.500 0.082 0.000 1.220 385 K HN 0.427 nan 8.250 nan 0.000 0.470 386 T N -0.457 114.086 114.554 -0.018 0.000 2.840 386 T HA 0.398 4.748 4.350 0.000 0.000 0.287 386 T C -2.440 172.141 174.700 -0.198 0.000 0.991 386 T CA -1.831 60.224 62.100 -0.075 0.000 0.964 386 T CB 1.406 70.250 68.868 -0.039 0.000 0.954 386 T HN 0.266 nan 8.240 nan 0.000 0.438 387 P HA 0.280 nan 4.420 nan 0.000 0.275 387 P C -0.478 176.421 177.300 -0.667 0.000 1.227 387 P CA -0.606 62.175 63.100 -0.531 0.000 0.781 387 P CB 1.026 32.318 31.700 -0.680 0.000 0.906 388 K N 2.290 122.423 120.400 -0.446 0.000 2.350 388 K HA 0.244 4.564 4.320 0.000 0.000 0.279 388 K C -0.249 176.135 176.600 -0.360 0.000 1.027 388 K CA -0.157 55.956 56.287 -0.290 0.000 0.969 388 K CB 0.084 32.478 32.500 -0.177 0.000 0.954 388 K HN 0.323 nan 8.250 nan 0.000 0.474 389 F N 2.150 122.053 119.950 -0.078 0.000 2.399 389 F HA 0.280 4.807 4.527 0.000 0.000 0.328 389 F C 0.845 176.645 175.800 0.000 0.000 1.084 389 F CA -0.498 57.462 58.000 -0.066 0.000 1.053 389 F CB 1.049 40.001 39.000 -0.080 0.000 1.209 389 F HN 0.092 nan 8.300 nan 0.000 0.502 390 K N 4.231 124.762 120.400 0.219 0.000 2.423 390 K HA 0.399 4.719 4.320 0.000 0.000 0.234 390 K C -1.177 175.536 176.600 0.189 0.000 1.051 390 K CA -0.092 56.286 56.287 0.151 0.000 1.021 390 K CB 0.740 33.301 32.500 0.102 0.000 1.474 390 K HN 0.545 nan 8.250 nan 0.000 0.474 391 L N 3.996 125.361 121.223 0.236 0.000 2.295 391 L HA 0.374 4.715 4.340 0.000 0.000 0.285 391 L C -1.847 175.177 176.870 0.257 0.000 1.035 391 L CA -2.028 52.912 54.840 0.166 0.000 0.806 391 L CB 1.697 43.731 42.059 -0.041 0.000 1.214 391 L HN 0.152 nan 8.230 nan 0.000 0.426 392 P HA 0.232 nan 4.420 nan 0.000 0.231 392 P C -0.675 176.794 177.300 0.281 0.000 1.811 392 P CA 0.268 63.530 63.100 0.269 0.000 1.051 392 P CB 0.394 32.208 31.700 0.190 0.000 1.951 393 I N -0.259 120.556 120.570 0.409 0.000 2.739 393 I HA 0.174 4.344 4.170 0.000 0.000 0.288 393 I C -1.266 174.882 176.117 0.051 0.000 1.582 393 I CA -0.790 60.601 61.300 0.152 0.000 1.035 393 I CB 2.561 40.593 38.000 0.052 0.000 1.432 393 I HN 0.004 nan 8.210 nan 0.000 0.444 394 Q N 5.252 124.810 119.800 -0.402 0.000 2.443 394 Q HA 0.205 4.545 4.340 0.000 0.000 0.232 394 Q C 0.372 176.391 176.000 0.033 0.000 1.026 394 Q CA -0.233 55.164 55.803 -0.677 0.000 0.924 394 Q CB 1.232 29.579 28.738 -0.651 0.000 1.256 394 Q HN 0.594 nan 8.270 nan 0.000 0.519 395 K N 1.789 122.259 120.400 0.117 0.000 2.155 395 K HA -0.133 4.187 4.320 0.000 0.000 0.203 395 K C 1.445 178.231 176.600 0.309 0.000 1.052 395 K CA 1.220 57.737 56.287 0.383 0.000 0.948 395 K CB 0.260 32.847 32.500 0.146 0.000 0.728 395 K HN 0.547 nan 8.250 nan 0.000 0.448 396 E N -0.243 120.031 120.200 0.124 0.000 2.216 396 E HA -0.050 4.300 4.350 0.000 0.000 0.192 396 E C 1.789 178.432 176.600 0.072 0.000 0.988 396 E CA 1.003 57.453 56.400 0.083 0.000 0.834 396 E CB -0.058 29.653 29.700 0.017 0.000 0.772 396 E HN 0.171 nan 8.360 nan 0.000 0.479 397 T N 0.387 114.983 114.554 0.069 0.000 2.770 397 T HA -0.135 4.215 4.350 0.000 0.000 0.263 397 T C 1.310 176.078 174.700 0.113 0.000 1.039 397 T CA 0.989 63.108 62.100 0.031 0.000 1.142 397 T CB -0.298 68.550 68.868 -0.033 0.000 0.868 397 T HN 0.407 nan 8.240 nan 0.000 0.435 398 W N 2.417 123.747 121.300 0.050 0.000 2.407 398 W HA -0.002 4.658 4.660 0.000 0.000 0.305 398 W C 1.916 178.568 176.519 0.221 0.000 1.196 398 W CA 1.111 58.545 57.345 0.148 0.000 1.311 398 W CB -0.388 29.125 29.460 0.088 0.000 1.135 398 W HN 0.330 nan 8.180 nan 0.000 0.514 399 E N 0.041 120.453 120.200 0.352 0.000 2.331 399 E HA -0.211 4.139 4.350 0.000 0.000 0.199 399 E C 1.766 178.090 176.600 -0.459 0.000 1.008 399 E CA 1.890 58.282 56.400 -0.015 0.000 0.843 399 E CB -0.018 29.793 29.700 0.184 0.000 0.761 399 E HN 0.280 nan 8.360 nan 0.000 0.507 400 T N -3.076 111.343 114.554 -0.224 0.000 3.040 400 T HA -0.003 4.347 4.350 0.000 0.000 0.250 400 T C 1.294 175.911 174.700 -0.138 0.000 1.058 400 T CA -0.532 61.444 62.100 -0.208 0.000 0.988 400 T CB -0.267 68.550 68.868 -0.085 0.000 0.993 400 T HN 0.370 nan 8.240 nan 0.000 0.519 401 W N 1.684 122.742 121.300 -0.404 0.000 2.501 401 W HA 0.049 4.709 4.660 0.000 0.000 0.309 401 W C 2.078 178.386 176.519 -0.352 0.000 1.165 401 W CA 0.385 57.496 57.345 -0.390 0.000 1.381 401 W CB -0.259 28.912 29.460 -0.482 0.000 1.142 401 W HN 0.398 nan 8.180 nan 0.000 0.509 402 W N 1.761 122.663 121.300 -0.663 0.000 2.363 402 W HA -0.133 4.527 4.660 0.000 0.000 0.296 402 W C 1.458 177.763 176.519 -0.356 0.000 1.212 402 W CA 1.643 58.603 57.345 -0.642 0.000 1.260 402 W CB -1.639 27.496 29.460 -0.542 0.000 1.131 402 W HN -0.200 nan 8.180 nan 0.000 0.530 403 T N 1.494 115.691 114.554 -0.595 0.000 2.833 403 T HA -0.201 4.149 4.350 0.000 0.000 0.269 403 T C 1.452 176.010 174.700 -0.237 0.000 1.054 403 T CA 2.013 63.809 62.100 -0.507 0.000 1.135 403 T CB -0.266 68.190 68.868 -0.688 0.000 0.869 403 T HN 0.325 nan 8.240 nan 0.000 0.466 404 E N -0.615 119.428 120.200 -0.261 0.000 2.318 404 E HA 0.053 4.404 4.350 0.000 0.000 0.193 404 E C 0.148 176.662 176.600 -0.143 0.000 0.998 404 E CA -0.144 56.150 56.400 -0.176 0.000 0.859 404 E CB 0.092 29.703 29.700 -0.149 0.000 0.812 404 E HN 0.390 nan 8.360 nan 0.000 0.492 405 Y N 1.905 121.901 120.300 -0.508 0.000 2.578 405 Y HA -0.180 4.370 4.550 0.000 0.000 0.339 405 Y C 1.138 176.897 175.900 -0.236 0.000 1.231 405 Y CA -0.797 56.990 58.100 -0.522 0.000 1.461 405 Y CB 0.296 38.271 38.460 -0.808 0.000 1.323 405 Y HN 0.162 nan 8.280 nan 0.000 0.590 406 W N 2.933 123.955 121.300 -0.464 0.000 2.770 406 W HA 0.122 4.782 4.660 0.000 0.000 0.256 406 W C -0.186 176.042 176.519 -0.485 0.000 1.291 406 W CA 0.025 57.128 57.345 -0.403 0.000 1.396 406 W CB -0.187 29.059 29.460 -0.356 0.000 1.114 406 W HN 0.495 nan 8.180 nan 0.000 0.637 407 Q N 0.946 119.804 119.800 -1.570 0.000 2.180 407 Q HA 0.583 4.923 4.340 0.000 0.000 0.241 407 Q C -0.535 175.102 176.000 -0.604 0.000 0.970 407 Q CA -0.418 54.574 55.803 -1.352 0.000 0.919 407 Q CB 2.178 29.760 28.738 -1.927 0.000 1.222 407 Q HN 0.012 nan 8.270 nan 0.000 0.482 408 A N 0.637 123.217 122.820 -0.399 0.000 2.294 408 A HA 0.801 5.121 4.320 0.000 0.000 0.330 408 A C -0.719 176.777 177.584 -0.148 0.000 1.133 408 A CA -0.213 51.700 52.037 -0.206 0.000 0.836 408 A CB 1.191 20.093 19.000 -0.163 0.000 1.190 408 A HN 0.766 nan 8.150 nan 0.000 0.492 409 T N -2.176 112.323 114.554 -0.091 0.000 2.792 409 T HA 0.642 4.992 4.350 0.000 0.000 0.303 409 T C -1.121 173.638 174.700 0.098 0.000 1.310 409 T CA -0.543 61.547 62.100 -0.016 0.000 1.007 409 T CB 1.220 70.073 68.868 -0.025 0.000 1.335 409 T HN 1.034 nan 8.240 nan 0.000 0.504 410 W N 1.696 122.917 121.300 -0.131 0.000 3.042 410 W HA 0.574 5.234 4.660 0.000 0.000 0.337 410 W C -2.100 174.369 176.519 -0.084 0.000 1.086 410 W CA -1.512 55.752 57.345 -0.135 0.000 1.236 410 W CB 1.291 30.687 29.460 -0.107 0.000 1.381 410 W HN 0.669 nan 8.180 nan 0.000 0.472 411 I N 7.763 127.975 120.570 -0.597 0.000 2.310 411 I HA 0.254 4.425 4.170 0.000 0.000 0.287 411 I C -1.822 173.638 176.117 -1.094 0.000 1.073 411 I CA -1.915 58.920 61.300 -0.774 0.000 1.216 411 I CB 0.245 38.036 38.000 -0.350 0.000 1.415 411 I HN 0.027 nan 8.210 nan 0.000 0.480 412 P HA 0.085 nan 4.420 nan 0.000 0.272 412 P C -0.286 176.965 177.300 -0.082 0.000 1.240 412 P CA -0.421 62.382 63.100 -0.495 0.000 0.791 412 P CB 0.495 32.085 31.700 -0.184 0.000 0.978 413 E N 1.311 121.476 120.200 -0.058 0.000 2.694 413 E HA -0.027 4.323 4.350 0.000 0.000 0.250 413 E C -0.383 176.297 176.600 0.133 0.000 0.963 413 E CA 0.827 57.218 56.400 -0.014 0.000 0.949 413 E CB 0.002 29.667 29.700 -0.059 0.000 0.911 413 E HN 0.441 nan 8.360 nan 0.000 0.500 414 W N 2.277 123.511 121.300 -0.110 0.000 3.217 414 W HA 0.516 5.176 4.660 0.000 0.000 0.323 414 W C -0.873 175.610 176.519 -0.060 0.000 1.216 414 W CA -0.949 56.356 57.345 -0.066 0.000 1.194 414 W CB 0.485 29.856 29.460 -0.148 0.000 1.397 414 W HN 0.308 nan 8.180 nan 0.000 0.537 415 E N 1.908 122.080 120.200 -0.046 0.000 2.195 415 E HA 0.363 4.713 4.350 0.000 0.000 0.271 415 E C -1.121 175.516 176.600 0.061 0.000 0.923 415 E CA -1.067 55.225 56.400 -0.179 0.000 0.790 415 E CB 2.608 32.238 29.700 -0.116 0.000 1.155 415 E HN 0.277 nan 8.360 nan 0.000 0.402 416 F N 3.056 122.946 119.950 -0.101 0.000 2.418 416 F HA 0.439 4.966 4.527 0.000 0.000 0.341 416 F C -0.840 175.001 175.800 0.069 0.000 1.120 416 F CA -0.354 57.712 58.000 0.110 0.000 1.232 416 F CB 0.770 39.823 39.000 0.088 0.000 1.175 416 F HN 0.159 nan 8.300 nan 0.000 0.569 417 V N 5.178 124.608 119.914 -0.806 0.000 3.012 417 V HA 0.304 4.424 4.120 0.000 0.000 0.307 417 V C -1.308 174.398 176.094 -0.646 0.000 1.166 417 V CA -0.975 60.833 62.300 -0.820 0.000 0.974 417 V CB 2.106 33.774 31.823 -0.259 0.000 1.040 417 V HN 0.926 nan 8.190 nan 0.000 0.428 418 N N 2.892 121.323 118.700 -0.449 0.000 2.472 418 N HA 0.732 5.473 4.740 0.000 0.000 0.277 418 N C -0.656 174.853 175.510 -0.003 0.000 1.081 418 N CA 0.483 53.485 53.050 -0.080 0.000 0.973 418 N CB 1.345 39.817 38.487 -0.026 0.000 1.105 418 N HN 0.998 nan 8.380 nan 0.000 0.470 419 T N 0.445 115.038 114.554 0.064 0.000 2.775 419 T HA 0.361 4.711 4.350 0.000 0.000 0.320 419 T C -2.289 172.446 174.700 0.058 0.000 1.597 419 T CA -1.002 61.129 62.100 0.052 0.000 1.022 419 T CB 1.037 69.933 68.868 0.047 0.000 1.485 419 T HN 0.215 nan 8.240 nan 0.000 0.494 420 P HA -0.038 nan 4.420 nan 0.000 0.224 420 P C -2.104 175.205 177.300 0.014 0.000 0.880 420 P CA 1.027 64.143 63.100 0.026 0.000 1.070 420 P CB -2.250 29.457 31.700 0.013 0.000 0.652 421 P HA 0.058 nan 4.420 nan 0.000 0.256 421 P C -0.379 176.898 177.300 -0.039 0.000 1.173 421 P CA 0.570 63.640 63.100 -0.050 0.000 0.768 421 P CB -0.256 31.367 31.700 -0.127 0.000 0.758 422 L N 5.431 126.629 121.223 -0.043 0.000 2.309 422 L HA 0.293 4.633 4.340 0.000 0.000 0.282 422 L C -0.476 176.310 176.870 -0.141 0.000 1.036 422 L CA -0.548 54.265 54.840 -0.045 0.000 0.806 422 L CB 1.769 43.813 42.059 -0.024 0.000 1.220 422 L HN 0.072 nan 8.230 nan 0.000 0.429 423 V N 5.687 125.545 119.914 -0.094 0.000 2.408 423 V HA 0.444 4.564 4.120 0.000 0.000 0.267 423 V C -0.080 175.876 176.094 -0.231 0.000 1.047 423 V CA -0.370 61.845 62.300 -0.142 0.000 0.937 423 V CB 0.231 32.045 31.823 -0.016 0.000 0.999 423 V HN 0.844 nan 8.190 nan 0.000 0.472 424 K N 4.475 124.640 120.400 -0.391 0.000 2.597 424 K HA 0.526 4.846 4.320 0.000 0.000 0.282 424 K C -1.473 174.805 176.600 -0.537 0.000 0.975 424 K CA -1.120 54.913 56.287 -0.424 0.000 0.867 424 K CB 1.671 33.916 32.500 -0.424 0.000 1.465 424 K HN 0.316 nan 8.250 nan 0.000 0.417 425 L N 2.380 123.377 121.223 -0.376 0.000 2.530 425 L HA 0.100 4.440 4.340 0.000 0.000 0.273 425 L C 0.799 177.561 176.870 -0.180 0.000 1.141 425 L CA -0.375 54.282 54.840 -0.305 0.000 0.905 425 L CB -0.252 41.687 42.059 -0.200 0.000 1.202 425 L HN 0.662 nan 8.230 nan 0.000 0.473 426 W N 2.737 123.963 121.300 -0.122 0.000 2.273 426 W HA -0.155 4.505 4.660 0.000 0.000 0.320 426 W C 1.154 177.706 176.519 0.055 0.000 1.173 426 W CA 0.179 57.524 57.345 -0.000 0.000 1.199 426 W CB -0.090 29.422 29.460 0.087 0.000 1.195 426 W HN 0.478 nan 8.180 nan 0.000 0.454 427 Y N -0.393 120.070 120.300 0.273 0.000 2.436 427 Y HA 0.546 5.096 4.550 0.000 0.000 0.336 427 Y C -0.338 175.625 175.900 0.105 0.000 1.318 427 Y CA -1.534 56.654 58.100 0.147 0.000 1.493 427 Y CB -0.013 38.498 38.460 0.085 0.000 1.547 427 Y HN 0.113 nan 8.280 nan 0.000 0.549 428 Q N 1.230 121.145 119.800 0.193 0.000 2.536 428 Q HA 0.329 4.669 4.340 0.000 0.000 0.231 428 Q C -1.807 174.280 176.000 0.146 0.000 0.811 428 Q CA -0.301 55.543 55.803 0.068 0.000 0.966 428 Q CB 1.114 29.870 28.738 0.030 0.000 1.512 428 Q HN 0.882 nan 8.270 nan 0.000 0.456 429 L N 1.430 122.752 121.223 0.164 0.000 2.483 429 L HA 0.143 4.483 4.340 0.000 0.000 0.277 429 L C 1.041 177.999 176.870 0.147 0.000 1.248 429 L CA 0.197 55.134 54.840 0.163 0.000 0.825 429 L CB 0.101 42.246 42.059 0.144 0.000 1.096 429 L HN 0.565 nan 8.230 nan 0.000 0.512 430 E N 0.628 120.946 120.200 0.196 0.000 2.322 430 E HA 0.152 4.502 4.350 0.000 0.000 0.257 430 E C 0.314 177.063 176.600 0.248 0.000 1.155 430 E CA -0.423 56.093 56.400 0.192 0.000 0.936 430 E CB 1.074 30.879 29.700 0.175 0.000 1.130 430 E HN 0.417 nan 8.360 nan 0.000 0.465 431 K N 0.347 120.838 120.400 0.151 0.000 2.370 431 K HA 0.201 4.521 4.320 0.000 0.000 0.194 431 K C 0.098 176.776 176.600 0.130 0.000 1.070 431 K CA 0.481 56.856 56.287 0.148 0.000 0.998 431 K CB 0.928 33.469 32.500 0.068 0.000 0.911 431 K HN 0.386 nan 8.250 nan 0.000 0.533 432 E N 0.684 120.811 120.200 -0.123 0.000 2.383 432 E HA 0.316 4.666 4.350 0.000 0.000 0.275 432 E C -2.845 173.153 176.600 -1.003 0.000 0.918 432 E CA -2.310 53.888 56.400 -0.338 0.000 0.764 432 E CB 2.128 31.736 29.700 -0.154 0.000 1.252 432 E HN -0.250 nan 8.360 nan 0.000 0.449 433 P HA -0.016 nan 4.420 nan 0.000 0.260 433 P C -0.396 176.631 177.300 -0.455 0.000 1.172 433 P CA 0.638 63.166 63.100 -0.952 0.000 0.760 433 P CB 0.119 31.651 31.700 -0.280 0.000 0.773 434 I N 3.617 123.995 120.570 -0.320 0.000 2.556 434 I HA 0.019 4.189 4.170 0.000 0.000 0.284 434 I C 0.847 176.929 176.117 -0.059 0.000 1.114 434 I CA -0.421 60.801 61.300 -0.130 0.000 1.418 434 I CB 0.451 38.426 38.000 -0.041 0.000 1.394 434 I HN 0.146 nan 8.210 nan 0.000 0.552 435 V N 3.720 123.608 119.914 -0.043 0.000 2.649 435 V HA 0.832 4.952 4.120 0.000 0.000 0.292 435 V C 0.870 176.968 176.094 0.006 0.000 1.055 435 V CA 0.370 62.662 62.300 -0.013 0.000 1.023 435 V CB 0.555 32.370 31.823 -0.014 0.000 0.992 435 V HN 1.120 nan 8.190 nan 0.000 0.480 436 G N 2.605 111.419 108.800 0.022 0.000 5.005 436 G HA2 -0.076 3.885 3.960 0.000 0.000 0.251 436 G HA3 -0.076 3.885 3.960 0.000 0.000 0.251 436 G C 0.826 175.758 174.900 0.052 0.000 1.536 436 G CA 0.066 45.184 45.100 0.031 0.000 1.060 436 G HN 2.301 nan 8.290 nan 0.000 0.683 437 A N 1.150 124.004 122.820 0.057 0.000 2.632 437 A HA 0.363 4.684 4.320 0.000 0.000 0.229 437 A C 0.611 178.274 177.584 0.133 0.000 1.047 437 A CA 1.517 53.606 52.037 0.087 0.000 0.754 437 A CB -0.081 18.965 19.000 0.077 0.000 0.969 437 A HN 1.105 nan 8.150 nan 0.000 0.509 438 E N 1.471 121.786 120.200 0.191 0.000 1.985 438 E HA 0.153 4.503 4.350 0.000 0.000 0.268 438 E C -0.267 176.568 176.600 0.391 0.000 1.219 438 E CA -0.105 56.452 56.400 0.262 0.000 0.942 438 E CB -0.147 29.756 29.700 0.339 0.000 1.045 438 E HN 0.626 nan 8.360 nan 0.000 0.413 439 T N 4.693 119.418 114.554 0.285 0.000 2.822 439 T HA -0.045 4.305 4.350 0.000 0.000 0.288 439 T C -0.367 174.604 174.700 0.453 0.000 0.991 439 T CA 0.446 62.761 62.100 0.358 0.000 1.176 439 T CB -0.125 68.961 68.868 0.364 0.000 0.951 439 T HN 0.220 nan 8.240 nan 0.000 0.526 440 F N 3.009 123.074 119.950 0.192 0.000 2.402 440 F HA 0.334 4.862 4.527 0.000 0.000 0.355 440 F C -0.263 175.703 175.800 0.276 0.000 1.123 440 F CA -1.366 56.739 58.000 0.174 0.000 1.021 440 F CB 0.981 39.943 39.000 -0.063 0.000 1.160 440 F HN 0.503 nan 8.300 nan 0.000 0.451 441 Y N 4.076 124.468 120.300 0.154 0.000 2.636 441 Y HA 0.307 4.857 4.550 0.000 0.000 0.341 441 Y C 0.389 176.376 175.900 0.146 0.000 1.169 441 Y CA -0.838 57.329 58.100 0.112 0.000 1.498 441 Y CB -0.377 38.115 38.460 0.054 0.000 1.362 441 Y HN 0.155 nan 8.280 nan 0.000 0.494 442 V N 3.055 123.109 119.914 0.233 0.000 3.096 442 V HA 0.190 4.310 4.120 0.000 0.000 0.306 442 V C 0.218 176.399 176.094 0.146 0.000 1.088 442 V CA 0.271 62.689 62.300 0.197 0.000 1.129 442 V CB 1.382 33.270 31.823 0.108 0.000 1.014 442 V HN 0.711 nan 8.190 nan 0.000 0.486 443 D N -0.545 119.943 120.400 0.147 0.000 2.804 443 D HA 0.593 5.234 4.640 0.000 0.000 0.309 443 D C -0.599 175.759 176.300 0.096 0.000 1.311 443 D CA 0.703 54.761 54.000 0.097 0.000 0.765 443 D CB 1.544 42.385 40.800 0.068 0.000 1.293 443 D HN 1.069 nan 8.370 nan 0.000 0.434 444 G N -0.919 107.923 108.800 0.070 0.000 2.345 444 G HA2 0.709 4.669 3.960 0.000 0.000 0.310 444 G HA3 0.709 4.669 3.960 0.000 0.000 0.310 444 G C -1.572 173.369 174.900 0.068 0.000 1.476 444 G CA 0.273 45.415 45.100 0.069 0.000 0.978 444 G HN 1.119 nan 8.290 nan 0.000 0.656 445 A N -0.873 121.986 122.820 0.064 0.000 2.557 445 A HA 1.196 5.516 4.320 0.000 0.000 0.292 445 A C -0.333 177.286 177.584 0.057 0.000 1.139 445 A CA 0.201 52.279 52.037 0.068 0.000 0.665 445 A CB 0.939 19.984 19.000 0.075 0.000 1.285 445 A HN 2.745 nan 8.150 nan 0.000 0.433 446 A N 0.134 122.986 122.820 0.053 0.000 2.587 446 A HA 0.730 5.050 4.320 0.000 0.000 0.293 446 A C -1.245 176.361 177.584 0.036 0.000 1.087 446 A CA -0.516 51.546 52.037 0.042 0.000 0.692 446 A CB 1.256 20.281 19.000 0.041 0.000 1.291 446 A HN 1.038 nan 8.150 nan 0.000 0.407 447 N N 0.725 119.443 118.700 0.030 0.000 2.462 447 N HA 0.156 4.896 4.740 0.000 0.000 0.242 447 N C 0.837 176.358 175.510 0.019 0.000 1.010 447 N CA -0.351 52.714 53.050 0.024 0.000 0.939 447 N CB 0.714 39.214 38.487 0.021 0.000 1.127 447 N HN 0.676 nan 8.380 nan 0.000 0.509 448 R N 2.083 122.593 120.500 0.017 0.000 2.113 448 R HA -0.239 4.101 4.340 0.000 0.000 0.244 448 R C 1.185 177.492 176.300 0.011 0.000 1.142 448 R CA 1.873 57.980 56.100 0.012 0.000 0.953 448 R CB -0.046 30.259 30.300 0.008 0.000 0.860 448 R HN 0.570 nan 8.270 nan 0.000 0.438 449 E N 0.052 120.258 120.200 0.010 0.000 2.051 449 E HA -0.136 4.214 4.350 0.000 0.000 0.192 449 E C 1.807 178.413 176.600 0.010 0.000 0.991 449 E CA 2.014 58.419 56.400 0.008 0.000 0.799 449 E CB -0.000 29.704 29.700 0.007 0.000 0.748 449 E HN 0.465 nan 8.360 nan 0.000 0.449 450 T N -3.386 111.175 114.554 0.012 0.000 3.107 450 T HA 0.186 4.536 4.350 0.000 0.000 0.249 450 T C 1.166 175.875 174.700 0.015 0.000 1.096 450 T CA 0.840 62.948 62.100 0.013 0.000 1.012 450 T CB -0.322 68.554 68.868 0.013 0.000 0.977 450 T HN 0.289 nan 8.240 nan 0.000 0.527 451 K N 0.446 120.855 120.400 0.016 0.000 2.975 451 K HA -0.141 4.179 4.320 0.000 0.000 0.257 451 K C 0.164 176.777 176.600 0.022 0.000 1.005 451 K CA 1.641 57.939 56.287 0.018 0.000 0.738 451 K CB -2.831 29.679 32.500 0.017 0.000 1.236 451 K HN 0.763 nan 8.250 nan 0.000 0.483 452 L N -0.431 120.806 121.223 0.022 0.000 2.322 452 L HA 0.774 5.114 4.340 0.000 0.000 0.281 452 L C 1.116 178.004 176.870 0.029 0.000 1.014 452 L CA -0.562 54.293 54.840 0.024 0.000 0.815 452 L CB 2.284 44.356 42.059 0.021 0.000 1.247 452 L HN 0.453 nan 8.230 nan 0.000 0.421 453 G N 2.208 111.028 108.800 0.033 0.000 3.105 453 G HA2 0.801 4.761 3.960 0.000 0.000 0.277 453 G HA3 0.801 4.761 3.960 0.000 0.000 0.277 453 G C -1.679 173.245 174.900 0.040 0.000 1.375 453 G CA -0.594 44.529 45.100 0.039 0.000 0.962 453 G HN 0.563 nan 8.290 nan 0.000 0.541 454 K N -1.138 119.289 120.400 0.046 0.000 2.587 454 K HA 0.669 4.989 4.320 0.000 0.000 0.256 454 K C -0.789 175.848 176.600 0.060 0.000 0.974 454 K CA -0.738 55.577 56.287 0.046 0.000 0.855 454 K CB 1.743 34.263 32.500 0.034 0.000 1.292 454 K HN 0.801 nan 8.250 nan 0.000 0.444 455 A N 1.938 124.802 122.820 0.073 0.000 2.281 455 A HA 0.997 5.317 4.320 0.000 0.000 0.329 455 A C 0.172 177.819 177.584 0.105 0.000 1.122 455 A CA -0.040 52.056 52.037 0.098 0.000 0.850 455 A CB 1.293 20.361 19.000 0.114 0.000 1.207 455 A HN 1.105 nan 8.150 nan 0.000 0.495 456 G N -1.539 107.355 108.800 0.156 0.000 2.317 456 G HA2 0.602 4.562 3.960 0.000 0.000 0.293 456 G HA3 0.602 4.562 3.960 0.000 0.000 0.293 456 G C -1.097 173.987 174.900 0.307 0.000 1.287 456 G CA 0.322 45.522 45.100 0.167 0.000 0.850 456 G HN 2.252 nan 8.290 nan 0.000 0.515 457 Y N -3.844 116.490 120.300 0.057 0.000 2.952 457 Y HA 0.725 5.275 4.550 0.000 0.000 0.346 457 Y C -1.531 174.373 175.900 0.007 0.000 1.388 457 Y CA -1.289 56.854 58.100 0.072 0.000 1.097 457 Y CB 1.059 39.616 38.460 0.162 0.000 1.732 457 Y HN 0.999 nan 8.280 nan 0.000 0.431 458 V N 2.246 122.350 119.914 0.317 0.000 2.675 458 V HA 0.327 4.447 4.120 0.000 0.000 0.266 458 V C 0.128 176.223 176.094 0.000 0.000 0.974 458 V CA -0.154 62.165 62.300 0.032 0.000 0.890 458 V CB 0.905 32.694 31.823 -0.055 0.000 1.055 458 V HN 1.181 nan 8.190 nan 0.000 0.477 459 T N 0.684 115.142 114.554 -0.159 0.000 2.589 459 T HA 0.009 4.359 4.350 0.000 0.000 0.342 459 T C 1.213 175.764 174.700 -0.248 0.000 1.044 459 T CA 0.664 62.482 62.100 -0.471 0.000 1.020 459 T CB 0.328 68.716 68.868 -0.799 0.000 1.070 459 T HN 0.741 nan 8.240 nan 0.000 0.524 460 N N -0.545 118.045 118.700 -0.184 0.000 2.336 460 N HA -0.004 4.736 4.740 0.000 0.000 0.189 460 N C 0.306 175.748 175.510 -0.113 0.000 1.113 460 N CA -0.206 52.757 53.050 -0.145 0.000 0.858 460 N CB 0.086 38.542 38.487 -0.052 0.000 0.970 460 N HN 0.626 nan 8.380 nan 0.000 0.471 461 K N 0.475 120.803 120.400 -0.120 0.000 2.981 461 K HA 0.247 4.567 4.320 0.000 0.000 0.213 461 K C 0.534 177.079 176.600 -0.091 0.000 1.154 461 K CA 0.017 56.254 56.287 -0.084 0.000 1.111 461 K CB 0.414 32.880 32.500 -0.056 0.000 0.975 461 K HN 0.219 nan 8.250 nan 0.000 0.462 462 G N 1.774 110.509 108.800 -0.109 0.000 2.257 462 G HA2 -0.380 3.580 3.960 0.000 0.000 0.267 462 G HA3 -0.380 3.580 3.960 0.000 0.000 0.267 462 G C 0.294 175.123 174.900 -0.118 0.000 0.984 462 G CA 0.160 45.198 45.100 -0.103 0.000 0.626 462 G HN 0.465 nan 8.290 nan 0.000 0.540 463 R N 1.399 121.820 120.500 -0.131 0.000 2.399 463 R HA 0.322 4.662 4.340 0.000 0.000 0.324 463 R C 0.559 176.722 176.300 -0.228 0.000 1.030 463 R CA 0.386 56.398 56.100 -0.147 0.000 0.984 463 R CB 0.022 30.251 30.300 -0.118 0.000 0.961 463 R HN 0.623 nan 8.270 nan 0.000 0.433 464 Q N 2.817 122.458 119.800 -0.265 0.000 2.527 464 Q HA 0.565 4.905 4.340 0.000 0.000 0.220 464 Q C -0.959 174.720 176.000 -0.536 0.000 1.014 464 Q CA -0.915 54.654 55.803 -0.389 0.000 0.978 464 Q CB 1.866 30.461 28.738 -0.238 0.000 1.245 464 Q HN 0.479 nan 8.270 nan 0.000 0.513 465 K N -0.805 119.270 120.400 -0.541 0.000 2.894 465 K HA 0.481 4.801 4.320 0.000 0.000 0.293 465 K C -2.192 174.255 176.600 -0.255 0.000 1.091 465 K CA -0.350 55.688 56.287 -0.416 0.000 0.865 465 K CB 1.460 33.628 32.500 -0.553 0.000 1.441 465 K HN 0.391 nan 8.250 nan 0.000 0.361 466 V N 1.019 120.863 119.914 -0.115 0.000 3.282 466 V HA 0.622 4.743 4.120 0.000 0.000 0.295 466 V C -1.560 174.529 176.094 -0.008 0.000 1.451 466 V CA -0.825 61.451 62.300 -0.040 0.000 1.062 466 V CB 2.389 34.187 31.823 -0.041 0.000 1.128 466 V HN 0.525 nan 8.190 nan 0.000 0.456 467 V N 2.733 122.656 119.914 0.016 0.000 2.817 467 V HA 0.461 4.581 4.120 0.000 0.000 0.303 467 V C -2.651 173.459 176.094 0.026 0.000 1.151 467 V CA -1.165 61.148 62.300 0.021 0.000 0.929 467 V CB 2.968 34.813 31.823 0.036 0.000 1.030 467 V HN 0.827 nan 8.190 nan 0.000 0.427 468 P HA 0.429 nan 4.420 nan 0.000 0.275 468 P C -1.380 175.938 177.300 0.029 0.000 1.227 468 P CA -0.152 62.961 63.100 0.021 0.000 0.781 468 P CB 1.300 33.009 31.700 0.015 0.000 0.906 469 L N 2.125 123.367 121.223 0.031 0.000 2.409 469 L HA 0.440 4.780 4.340 0.000 0.000 0.272 469 L C 0.149 177.038 176.870 0.031 0.000 0.980 469 L CA -0.368 54.493 54.840 0.036 0.000 0.826 469 L CB 2.345 44.431 42.059 0.045 0.000 1.268 469 L HN 0.255 nan 8.230 nan 0.000 0.407 470 T N 1.789 116.361 114.554 0.030 0.000 2.797 470 T HA 0.345 4.695 4.350 0.000 0.000 0.279 470 T C 0.268 174.985 174.700 0.027 0.000 0.991 470 T CA -0.382 61.733 62.100 0.025 0.000 0.979 470 T CB 0.995 69.876 68.868 0.022 0.000 0.943 470 T HN 0.721 nan 8.240 nan 0.000 0.444 471 N N 1.090 119.805 118.700 0.025 0.000 2.816 471 N HA -0.150 4.590 4.740 0.000 0.000 0.247 471 N C -0.731 174.797 175.510 0.030 0.000 1.100 471 N CA 0.603 53.668 53.050 0.025 0.000 0.687 471 N CB -0.443 38.059 38.487 0.024 0.000 1.003 471 N HN 0.644 nan 8.380 nan 0.000 0.554 472 T N -0.215 114.359 114.554 0.033 0.000 2.921 472 T HA 0.449 4.799 4.350 0.000 0.000 0.297 472 T C -0.251 174.471 174.700 0.037 0.000 1.013 472 T CA -0.124 61.999 62.100 0.039 0.000 0.990 472 T CB 1.677 70.573 68.868 0.048 0.000 1.023 472 T HN 0.073 nan 8.240 nan 0.000 0.447 473 T N 4.004 118.579 114.554 0.036 0.000 2.927 473 T HA 0.328 4.678 4.350 0.000 0.000 0.281 473 T C 1.796 176.520 174.700 0.041 0.000 0.998 473 T CA -0.905 61.212 62.100 0.029 0.000 1.019 473 T CB 0.915 69.790 68.868 0.012 0.000 1.061 473 T HN 0.692 nan 8.240 nan 0.000 0.518 474 N N 0.736 119.460 118.700 0.039 0.000 2.242 474 N HA -0.223 4.517 4.740 0.000 0.000 0.191 474 N C 1.612 177.168 175.510 0.076 0.000 1.005 474 N CA 1.357 54.441 53.050 0.058 0.000 0.877 474 N CB 0.026 38.546 38.487 0.055 0.000 0.983 474 N HN 0.611 nan 8.380 nan 0.000 0.439 475 Q N 0.647 120.478 119.800 0.051 0.000 2.212 475 Q HA 0.016 4.356 4.340 0.000 0.000 0.199 475 Q C 1.725 177.853 176.000 0.213 0.000 0.950 475 Q CA 0.768 56.632 55.803 0.102 0.000 0.863 475 Q CB 0.184 28.815 28.738 -0.177 0.000 0.944 475 Q HN 0.394 nan 8.270 nan 0.000 0.465 476 K N 0.353 120.833 120.400 0.134 0.000 2.007 476 K HA -0.092 4.228 4.320 0.000 0.000 0.206 476 K C 2.389 179.055 176.600 0.109 0.000 1.047 476 K CA 1.810 58.172 56.287 0.124 0.000 0.937 476 K CB -0.502 32.048 32.500 0.083 0.000 0.718 476 K HN 0.246 nan 8.250 nan 0.000 0.438 477 T N 0.177 114.789 114.554 0.097 0.000 2.699 477 T HA -0.233 4.117 4.350 0.000 0.000 0.268 477 T C 1.814 176.578 174.700 0.106 0.000 1.036 477 T CA 1.575 63.732 62.100 0.095 0.000 1.147 477 T CB -0.450 68.468 68.868 0.083 0.000 0.862 477 T HN 0.256 nan 8.240 nan 0.000 0.446 478 E N 1.068 121.339 120.200 0.119 0.000 2.049 478 E HA -0.103 4.247 4.350 0.000 0.000 0.198 478 E C 2.277 178.937 176.600 0.100 0.000 1.007 478 E CA 1.680 58.154 56.400 0.122 0.000 0.809 478 E CB -0.412 29.386 29.700 0.164 0.000 0.749 478 E HN 0.509 nan 8.360 nan 0.000 0.450 479 L N 0.348 121.626 121.223 0.092 0.000 2.027 479 L HA -0.215 4.125 4.340 0.000 0.000 0.206 479 L C 2.717 179.626 176.870 0.065 0.000 1.074 479 L CA 1.046 55.905 54.840 0.032 0.000 0.745 479 L CB -0.326 41.719 42.059 -0.023 0.000 0.898 479 L HN 0.133 nan 8.230 nan 0.000 0.433 480 Q N 0.500 120.357 119.800 0.094 0.000 2.234 480 Q HA -0.200 4.140 4.340 0.000 0.000 0.206 480 Q C 2.059 178.159 176.000 0.167 0.000 0.980 480 Q CA 1.940 57.837 55.803 0.156 0.000 0.869 480 Q CB -0.176 28.645 28.738 0.138 0.000 0.912 480 Q HN 0.462 nan 8.270 nan 0.000 0.436 481 A N -0.459 122.438 122.820 0.129 0.000 2.014 481 A HA -0.011 4.310 4.320 0.000 0.000 0.218 481 A C 1.958 179.599 177.584 0.095 0.000 1.163 481 A CA 0.999 53.116 52.037 0.133 0.000 0.652 481 A CB -0.398 18.679 19.000 0.128 0.000 0.808 481 A HN 0.461 nan 8.150 nan 0.000 0.449 482 I N -1.979 118.635 120.570 0.072 0.000 2.439 482 I HA -0.167 4.003 4.170 0.000 0.000 0.251 482 I C 2.369 178.512 176.117 0.044 0.000 1.139 482 I CA 0.873 62.184 61.300 0.018 0.000 1.438 482 I CB -0.330 37.667 38.000 -0.005 0.000 1.085 482 I HN 0.427 nan 8.210 nan 0.000 0.427 483 Y N 2.009 122.273 120.300 -0.060 0.000 2.097 483 Y HA -0.247 4.303 4.550 0.000 0.000 0.282 483 Y C 2.235 178.098 175.900 -0.061 0.000 1.152 483 Y CA 1.436 59.497 58.100 -0.066 0.000 1.136 483 Y CB -0.683 37.756 38.460 -0.036 0.000 0.975 483 Y HN 0.018 nan 8.280 nan 0.000 0.498 484 L N -0.320 120.882 121.223 -0.036 0.000 1.944 484 L HA -0.295 4.045 4.340 0.000 0.000 0.218 484 L C 2.750 179.521 176.870 -0.165 0.000 1.075 484 L CA 1.657 56.448 54.840 -0.080 0.000 0.767 484 L CB -1.387 40.761 42.059 0.148 0.000 0.890 484 L HN 0.229 nan 8.230 nan 0.000 0.434 485 A N -0.351 122.310 122.820 -0.265 0.000 2.104 485 A HA -0.221 4.099 4.320 0.000 0.000 0.223 485 A C 2.218 179.461 177.584 -0.568 0.000 1.164 485 A CA 1.804 53.485 52.037 -0.592 0.000 0.659 485 A CB -0.789 17.890 19.000 -0.536 0.000 0.808 485 A HN 0.459 nan 8.150 nan 0.000 0.465 486 L N -1.903 119.131 121.223 -0.315 0.000 2.341 486 L HA -0.104 4.236 4.340 0.000 0.000 0.214 486 L C 2.726 179.464 176.870 -0.219 0.000 1.115 486 L CA 0.741 55.429 54.840 -0.253 0.000 0.820 486 L CB -0.269 41.718 42.059 -0.121 0.000 0.944 486 L HN 0.480 nan 8.230 nan 0.000 0.452 487 Q N -0.056 119.600 119.800 -0.240 0.000 2.008 487 Q HA -0.160 4.181 4.340 0.000 0.000 0.196 487 Q C 1.455 177.384 176.000 -0.118 0.000 0.973 487 Q CA 1.446 57.130 55.803 -0.199 0.000 0.826 487 Q CB 0.065 28.647 28.738 -0.260 0.000 0.894 487 Q HN 0.351 nan 8.270 nan 0.000 0.439 488 D N 0.823 121.181 120.400 -0.069 0.000 2.351 488 D HA -0.068 4.572 4.640 0.000 0.000 0.216 488 D C 0.651 176.978 176.300 0.044 0.000 0.968 488 D CA 0.583 54.627 54.000 0.075 0.000 0.899 488 D CB -0.190 40.803 40.800 0.322 0.000 0.907 488 D HN 0.170 nan 8.370 nan 0.000 0.514 489 S N -0.777 114.797 115.700 -0.210 0.000 2.652 489 S HA 0.599 5.069 4.470 0.000 0.000 0.267 489 S C 0.737 175.280 174.600 -0.094 0.000 1.201 489 S CA -0.522 57.508 58.200 -0.283 0.000 0.996 489 S CB 1.504 64.378 63.200 -0.544 0.000 1.054 489 S HN 0.165 nan 8.310 nan 0.000 0.561 490 G N -1.311 107.451 108.800 -0.064 0.000 3.209 490 G HA2 0.510 4.470 3.960 0.000 0.000 0.236 490 G HA3 0.510 4.470 3.960 0.000 0.000 0.236 490 G C 0.524 175.401 174.900 -0.039 0.000 1.329 490 G CA -0.960 44.126 45.100 -0.023 0.000 1.015 490 G HN 0.589 nan 8.290 nan 0.000 0.571 491 L N -0.439 120.774 121.223 -0.016 0.000 1.990 491 L HA -0.022 4.318 4.340 0.000 0.000 0.213 491 L C 1.012 177.875 176.870 -0.012 0.000 1.072 491 L CA 1.542 56.373 54.840 -0.014 0.000 0.755 491 L CB -0.279 41.779 42.059 -0.001 0.000 0.889 491 L HN 0.455 nan 8.230 nan 0.000 0.432 492 E N -0.413 119.787 120.200 0.000 0.000 2.133 492 E HA 0.381 4.731 4.350 0.000 0.000 0.274 492 E C -1.050 175.554 176.600 0.006 0.000 0.930 492 E CA -0.197 56.209 56.400 0.010 0.000 0.770 492 E CB 2.643 32.357 29.700 0.022 0.000 1.104 492 E HN -0.083 nan 8.360 nan 0.000 0.403 493 V N 3.593 123.504 119.914 -0.006 0.000 2.888 493 V HA 0.393 4.513 4.120 0.000 0.000 0.309 493 V C -1.813 174.296 176.094 0.025 0.000 1.114 493 V CA -0.783 61.495 62.300 -0.036 0.000 0.940 493 V CB 2.277 33.974 31.823 -0.210 0.000 1.021 493 V HN 0.599 nan 8.190 nan 0.000 0.426 494 N N 6.606 125.360 118.700 0.089 0.000 2.511 494 N HA 0.560 5.300 4.740 0.000 0.000 0.249 494 N C -0.609 174.967 175.510 0.109 0.000 0.971 494 N CA -0.185 52.966 53.050 0.168 0.000 0.938 494 N CB 1.610 40.245 38.487 0.247 0.000 1.131 494 N HN 0.664 nan 8.380 nan 0.000 0.505 495 I N 0.518 121.094 120.570 0.011 0.000 2.783 495 I HA 0.516 4.686 4.170 0.000 0.000 0.312 495 I C 0.003 176.081 176.117 -0.064 0.000 0.988 495 I CA -1.095 60.191 61.300 -0.023 0.000 1.182 495 I CB 1.455 39.403 38.000 -0.087 0.000 1.368 495 I HN -0.044 nan 8.210 nan 0.000 0.511 496 V N 2.265 122.130 119.914 -0.082 0.000 2.610 496 V HA 0.306 4.426 4.120 0.000 0.000 0.298 496 V C -0.455 175.569 176.094 -0.118 0.000 1.067 496 V CA -0.424 61.764 62.300 -0.186 0.000 0.894 496 V CB 2.034 33.575 31.823 -0.470 0.000 1.015 496 V HN 0.902 nan 8.190 nan 0.000 0.432 497 T N 1.346 115.857 114.554 -0.072 0.000 2.942 497 T HA 0.396 4.746 4.350 0.000 0.000 0.289 497 T C 0.647 175.314 174.700 -0.055 0.000 1.044 497 T CA -0.401 61.691 62.100 -0.014 0.000 1.023 497 T CB 1.995 70.901 68.868 0.064 0.000 1.123 497 T HN 0.767 nan 8.240 nan 0.000 0.512 498 D N -0.381 120.007 120.400 -0.020 0.000 2.301 498 D HA -0.005 4.635 4.640 0.000 0.000 0.206 498 D C 0.984 177.361 176.300 0.127 0.000 0.979 498 D CA 0.067 54.032 54.000 -0.059 0.000 0.874 498 D CB -0.225 40.539 40.800 -0.059 0.000 0.968 498 D HN 0.378 nan 8.370 nan 0.000 0.510 499 S N 0.120 115.935 115.700 0.192 0.000 2.549 499 S HA 0.009 4.479 4.470 0.000 0.000 0.283 499 S C 0.856 175.684 174.600 0.380 0.000 1.320 499 S CA -0.248 58.113 58.200 0.269 0.000 1.058 499 S CB 1.521 64.848 63.200 0.212 0.000 0.882 499 S HN 0.084 nan 8.310 nan 0.000 0.498 500 Q N 3.985 123.979 119.800 0.323 0.000 2.165 500 Q HA 0.042 4.382 4.340 0.000 0.000 0.197 500 Q C 1.521 177.585 176.000 0.108 0.000 0.952 500 Q CA 1.369 57.257 55.803 0.140 0.000 0.848 500 Q CB -0.542 28.268 28.738 0.120 0.000 0.931 500 Q HN 0.916 nan 8.270 nan 0.000 0.470 501 Y N 0.465 120.786 120.300 0.035 0.000 2.036 501 Y HA -0.206 4.344 4.550 0.000 0.000 0.273 501 Y C 2.026 177.941 175.900 0.024 0.000 1.135 501 Y CA 2.176 60.292 58.100 0.025 0.000 1.106 501 Y CB -1.025 37.461 38.460 0.044 0.000 0.976 501 Y HN 0.136 nan 8.280 nan 0.000 0.483 502 A N 0.351 123.158 122.820 -0.022 0.000 1.940 502 A HA -0.197 4.123 4.320 0.000 0.000 0.219 502 A C 2.276 179.808 177.584 -0.087 0.000 1.176 502 A CA 1.816 53.754 52.037 -0.166 0.000 0.631 502 A CB -1.388 17.599 19.000 -0.023 0.000 0.814 502 A HN 0.662 nan 8.150 nan 0.000 0.446 503 L N 0.050 121.273 121.223 -0.001 0.000 1.989 503 L HA -0.037 4.303 4.340 0.000 0.000 0.211 503 L C 2.310 179.141 176.870 -0.065 0.000 1.071 503 L CA 2.624 57.456 54.840 -0.013 0.000 0.749 503 L CB -1.232 40.808 42.059 -0.031 0.000 0.890 503 L HN 0.274 nan 8.230 nan 0.000 0.431 504 G N 0.285 109.037 108.800 -0.078 0.000 2.639 504 G HA2 -0.283 3.678 3.960 0.000 0.000 0.216 504 G HA3 -0.283 3.678 3.960 0.000 0.000 0.216 504 G C 1.587 176.456 174.900 -0.052 0.000 1.267 504 G CA 1.400 46.460 45.100 -0.067 0.000 0.801 504 G HN 0.490 nan 8.290 nan 0.000 0.592 505 I N 0.878 121.371 120.570 -0.130 0.000 2.091 505 I HA -0.283 3.887 4.170 0.000 0.000 0.240 505 I C 2.836 178.935 176.117 -0.031 0.000 1.046 505 I CA 1.472 62.699 61.300 -0.121 0.000 1.306 505 I CB -0.522 37.275 38.000 -0.338 0.000 1.018 505 I HN 0.199 nan 8.210 nan 0.000 0.404 506 I N 0.205 120.744 120.570 -0.051 0.000 2.248 506 I HA -0.359 3.811 4.170 0.000 0.000 0.248 506 I C 2.608 178.810 176.117 0.142 0.000 1.107 506 I CA 1.636 62.961 61.300 0.042 0.000 1.373 506 I CB -0.459 37.537 38.000 -0.006 0.000 1.055 506 I HN 0.424 nan 8.210 nan 0.000 0.418 507 Q N 0.220 120.065 119.800 0.076 0.000 2.230 507 Q HA -0.077 4.263 4.340 0.000 0.000 0.202 507 Q C 2.248 178.322 176.000 0.123 0.000 0.963 507 Q CA 1.152 57.009 55.803 0.089 0.000 0.866 507 Q CB -0.119 28.642 28.738 0.038 0.000 0.931 507 Q HN 0.554 nan 8.270 nan 0.000 0.452 508 A N 0.636 123.537 122.820 0.135 0.000 2.259 508 A HA -0.168 4.152 4.320 0.000 0.000 0.212 508 A C 0.498 178.169 177.584 0.145 0.000 1.178 508 A CA 0.448 52.597 52.037 0.186 0.000 0.734 508 A CB -0.274 18.837 19.000 0.186 0.000 0.774 508 A HN 0.441 nan 8.150 nan 0.000 0.481 509 Q N -2.052 117.789 119.800 0.069 0.000 2.434 509 Q HA -0.169 4.171 4.340 0.000 0.000 0.299 509 Q C -2.138 173.815 176.000 -0.079 0.000 1.286 509 Q CA 0.393 56.070 55.803 -0.210 0.000 0.872 509 Q CB -1.715 26.847 28.738 -0.295 0.000 1.193 509 Q HN 0.554 nan 8.270 nan 0.000 0.466 510 P HA 0.212 nan 4.420 nan 0.000 0.286 510 P C -0.534 176.884 177.300 0.197 0.000 1.293 510 P CA -0.009 63.176 63.100 0.142 0.000 0.770 510 P CB 0.638 32.438 31.700 0.168 0.000 1.206 511 D N -3.057 117.442 120.400 0.165 0.000 2.694 511 D HA 0.096 4.736 4.640 0.000 0.000 0.260 511 D C -1.064 175.316 176.300 0.133 0.000 1.250 511 D CA -0.748 53.358 54.000 0.176 0.000 0.763 511 D CB 0.600 41.533 40.800 0.221 0.000 1.311 511 D HN 0.388 nan 8.370 nan 0.000 0.420 512 K N 0.092 120.556 120.400 0.106 0.000 3.071 512 K HA -0.139 4.181 4.320 0.000 0.000 0.262 512 K C 0.147 176.798 176.600 0.085 0.000 0.977 512 K CA 0.766 57.099 56.287 0.077 0.000 0.721 512 K CB -1.888 30.658 32.500 0.076 0.000 1.293 512 K HN 0.406 nan 8.250 nan 0.000 0.475 513 S N 1.564 117.319 115.700 0.092 0.000 2.617 513 S HA 0.028 4.498 4.470 0.000 0.000 0.255 513 S C 1.117 175.779 174.600 0.103 0.000 1.318 513 S CA -0.386 57.904 58.200 0.151 0.000 0.978 513 S CB 0.460 63.758 63.200 0.163 0.000 0.961 513 S HN 0.445 nan 8.310 nan 0.000 0.582 514 E N 0.379 120.663 120.200 0.141 0.000 2.542 514 E HA 0.229 4.579 4.350 0.000 0.000 0.224 514 E C -0.751 175.901 176.600 0.086 0.000 1.110 514 E CA -0.150 56.303 56.400 0.089 0.000 1.350 514 E CB 0.266 30.016 29.700 0.083 0.000 1.302 514 E HN 0.159 nan 8.360 nan 0.000 0.435 515 S N 1.007 116.737 115.700 0.050 0.000 2.496 515 S HA 0.127 4.597 4.470 0.000 0.000 0.221 515 S C 0.724 175.286 174.600 -0.064 0.000 1.260 515 S CA -0.481 57.719 58.200 0.000 0.000 1.181 515 S CB 0.768 63.947 63.200 -0.036 0.000 1.136 515 S HN 0.097 nan 8.310 nan 0.000 0.467 516 E N 2.096 122.260 120.200 -0.060 0.000 2.086 516 E HA -0.198 4.152 4.350 0.000 0.000 0.200 516 E C 1.868 178.352 176.600 -0.193 0.000 1.012 516 E CA 1.381 57.720 56.400 -0.101 0.000 0.812 516 E CB -0.249 29.408 29.700 -0.072 0.000 0.743 516 E HN 0.696 nan 8.360 nan 0.000 0.453 517 L N 0.690 121.795 121.223 -0.196 0.000 2.010 517 L HA -0.250 4.090 4.340 0.000 0.000 0.219 517 L C 2.422 179.082 176.870 -0.351 0.000 1.077 517 L CA 1.755 56.413 54.840 -0.303 0.000 0.773 517 L CB -0.646 41.317 42.059 -0.160 0.000 0.892 517 L HN -0.036 nan 8.230 nan 0.000 0.436 518 V N 0.185 119.954 119.914 -0.242 0.000 2.237 518 V HA -0.315 3.805 4.120 0.000 0.000 0.245 518 V C 2.385 178.349 176.094 -0.216 0.000 1.046 518 V CA 2.044 64.201 62.300 -0.238 0.000 1.007 518 V CB -1.113 30.553 31.823 -0.261 0.000 0.638 518 V HN 0.533 nan 8.190 nan 0.000 0.445 519 N N 0.147 118.747 118.700 -0.168 0.000 2.096 519 N HA -0.267 4.473 4.740 0.000 0.000 0.195 519 N C 1.907 177.308 175.510 -0.181 0.000 1.017 519 N CA 1.829 54.801 53.050 -0.130 0.000 0.870 519 N CB -0.407 38.025 38.487 -0.092 0.000 1.024 519 N HN 0.604 nan 8.380 nan 0.000 0.434 520 Q N 0.052 119.686 119.800 -0.277 0.000 2.083 520 Q HA 0.139 4.479 4.340 0.000 0.000 0.198 520 Q C 2.197 178.008 176.000 -0.315 0.000 0.969 520 Q CA 0.635 56.233 55.803 -0.341 0.000 0.838 520 Q CB 0.016 28.363 28.738 -0.652 0.000 0.900 520 Q HN 0.367 nan 8.270 nan 0.000 0.436 521 I N 0.486 120.831 120.570 -0.376 0.000 2.151 521 I HA -0.340 3.830 4.170 0.000 0.000 0.243 521 I C 2.045 178.001 176.117 -0.268 0.000 1.080 521 I CA 1.299 62.453 61.300 -0.243 0.000 1.339 521 I CB -0.450 37.412 38.000 -0.229 0.000 1.039 521 I HN 0.265 nan 8.210 nan 0.000 0.409 522 I N 0.546 120.945 120.570 -0.285 0.000 2.099 522 I HA -0.342 3.828 4.170 0.000 0.000 0.239 522 I C 2.591 178.527 176.117 -0.301 0.000 1.066 522 I CA 1.662 62.752 61.300 -0.351 0.000 1.324 522 I CB -0.640 37.275 38.000 -0.143 0.000 1.037 522 I HN 0.253 nan 8.210 nan 0.000 0.401 523 E N 0.407 120.486 120.200 -0.200 0.000 2.114 523 E HA -0.294 4.056 4.350 0.000 0.000 0.199 523 E C 2.294 178.807 176.600 -0.146 0.000 1.008 523 E CA 1.492 57.792 56.400 -0.167 0.000 0.810 523 E CB 0.076 29.701 29.700 -0.124 0.000 0.739 523 E HN 0.451 nan 8.360 nan 0.000 0.456 524 Q N 0.037 119.766 119.800 -0.119 0.000 1.993 524 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 524 Q C 2.570 178.489 176.000 -0.135 0.000 0.984 524 Q CA 1.089 56.839 55.803 -0.088 0.000 0.837 524 Q CB -0.618 28.094 28.738 -0.043 0.000 0.902 524 Q HN 0.342 nan 8.270 nan 0.000 0.423 525 L N 0.573 121.666 121.223 -0.216 0.000 2.034 525 L HA -0.255 4.085 4.340 0.000 0.000 0.217 525 L C 2.554 179.351 176.870 -0.122 0.000 1.077 525 L CA 1.315 56.010 54.840 -0.243 0.000 0.769 525 L CB -0.646 41.049 42.059 -0.607 0.000 0.890 525 L HN 0.186 nan 8.230 nan 0.000 0.435 526 I N -0.399 120.085 120.570 -0.144 0.000 2.163 526 I HA -0.337 3.834 4.170 0.000 0.000 0.243 526 I C 2.530 178.599 176.117 -0.080 0.000 1.085 526 I CA 1.557 62.814 61.300 -0.071 0.000 1.347 526 I CB -0.235 37.642 38.000 -0.205 0.000 1.044 526 I HN 0.262 nan 8.210 nan 0.000 0.408 527 K N 0.882 121.221 120.400 -0.103 0.000 2.555 527 K HA -0.050 4.270 4.320 0.000 0.000 0.193 527 K C 0.499 177.069 176.600 -0.050 0.000 1.032 527 K CA 0.408 56.647 56.287 -0.080 0.000 1.004 527 K CB 0.247 32.698 32.500 -0.081 0.000 0.804 527 K HN 0.175 nan 8.250 nan 0.000 0.496 528 K N -0.036 120.339 120.400 -0.041 0.000 2.177 528 K HA 0.048 4.368 4.320 0.000 0.000 0.238 528 K C 0.557 177.160 176.600 0.005 0.000 1.015 528 K CA -0.256 56.015 56.287 -0.026 0.000 0.922 528 K CB 1.455 33.930 32.500 -0.042 0.000 1.127 528 K HN 0.030 nan 8.250 nan 0.000 0.469 529 E N 0.659 120.863 120.200 0.006 0.000 2.244 529 E HA 0.013 4.363 4.350 0.000 0.000 0.196 529 E C -0.328 176.293 176.600 0.034 0.000 0.939 529 E CA 0.517 56.930 56.400 0.022 0.000 0.884 529 E CB 0.662 30.370 29.700 0.014 0.000 0.850 529 E HN 0.298 nan 8.360 nan 0.000 0.481 530 K N 1.143 121.561 120.400 0.031 0.000 2.805 530 K HA 0.211 4.531 4.320 0.000 0.000 0.276 530 K C -1.545 175.090 176.600 0.058 0.000 1.209 530 K CA -0.320 55.996 56.287 0.049 0.000 1.065 530 K CB 1.486 34.009 32.500 0.038 0.000 1.363 530 K HN -0.066 nan 8.250 nan 0.000 0.546 531 V N 2.245 122.203 119.914 0.075 0.000 3.134 531 V HA 0.438 4.558 4.120 0.000 0.000 0.313 531 V C -0.618 175.580 176.094 0.174 0.000 1.069 531 V CA -0.551 61.794 62.300 0.076 0.000 1.048 531 V CB 1.220 33.065 31.823 0.038 0.000 1.119 531 V HN 0.658 nan 8.190 nan 0.000 0.461 532 Y N 1.501 121.806 120.300 0.008 0.000 2.472 532 Y HA 0.386 4.937 4.550 0.000 0.000 0.324 532 Y C -0.950 174.959 175.900 0.016 0.000 1.160 532 Y CA -0.715 57.398 58.100 0.021 0.000 1.381 532 Y CB 0.197 38.670 38.460 0.022 0.000 1.125 532 Y HN 0.441 nan 8.280 nan 0.000 0.541 533 L N 3.748 124.807 121.223 -0.274 0.000 2.473 533 L HA 0.681 5.021 4.340 0.000 0.000 0.268 533 L C 0.390 176.966 176.870 -0.490 0.000 1.215 533 L CA 0.688 55.369 54.840 -0.266 0.000 0.823 533 L CB 0.819 42.800 42.059 -0.130 0.000 1.099 533 L HN 0.813 nan 8.230 nan 0.000 0.483 534 A N 2.702 125.349 122.820 -0.288 0.000 2.594 534 A HA 0.605 4.925 4.320 0.000 0.000 0.291 534 A C -2.140 175.442 177.584 -0.004 0.000 1.105 534 A CA -0.528 51.366 52.037 -0.239 0.000 0.694 534 A CB 1.396 20.238 19.000 -0.263 0.000 1.291 534 A HN 0.683 nan 8.150 nan 0.000 0.410 535 W N 1.261 122.469 121.300 -0.154 0.000 2.756 535 W HA 0.574 5.234 4.660 0.000 0.000 0.333 535 W C -1.504 174.972 176.519 -0.072 0.000 1.025 535 W CA -0.441 56.844 57.345 -0.100 0.000 1.246 535 W CB 1.965 31.380 29.460 -0.076 0.000 1.358 535 W HN 0.782 nan 8.180 nan 0.000 0.444 536 V N 5.265 124.671 119.914 -0.847 0.000 2.483 536 V HA 0.592 4.712 4.120 0.000 0.000 0.297 536 V C -2.104 173.288 176.094 -1.171 0.000 1.027 536 V CA -2.672 59.126 62.300 -0.836 0.000 0.855 536 V CB 1.306 32.883 31.823 -0.410 0.000 0.995 536 V HN 0.482 nan 8.190 nan 0.000 0.424 537 P HA 0.048 nan 4.420 nan 0.000 0.258 537 P C 0.328 177.409 177.300 -0.364 0.000 1.172 537 P CA 0.770 63.410 63.100 -0.767 0.000 0.762 537 P CB 0.467 31.944 31.700 -0.371 0.000 0.764 538 A N 3.809 126.504 122.820 -0.207 0.000 2.466 538 A HA 0.038 4.358 4.320 0.000 0.000 0.238 538 A C 0.739 178.340 177.584 0.030 0.000 1.074 538 A CA 0.279 52.254 52.037 -0.105 0.000 0.774 538 A CB -0.962 18.053 19.000 0.026 0.000 1.015 538 A HN 0.776 nan 8.150 nan 0.000 0.498 539 H N -1.158 117.886 119.070 -0.043 0.000 3.329 539 H HA -0.169 4.388 4.556 0.000 0.000 0.245 539 H C 1.024 176.334 175.328 -0.030 0.000 1.099 539 H CA 1.473 57.507 56.048 -0.023 0.000 1.186 539 H CB -1.054 28.704 29.762 -0.007 0.000 1.243 539 H HN 0.618 nan 8.280 nan 0.000 0.319 540 K N 0.854 121.264 120.400 0.017 0.000 2.525 540 K HA 0.157 4.477 4.320 0.000 0.000 0.192 540 K C 1.471 178.069 176.600 -0.004 0.000 1.029 540 K CA 0.961 57.247 56.287 -0.001 0.000 1.029 540 K CB -0.046 32.425 32.500 -0.048 0.000 0.814 540 K HN 0.604 nan 8.250 nan 0.000 0.503 541 G N 0.932 109.727 108.800 -0.007 0.000 2.140 541 G HA2 -0.244 3.716 3.960 0.000 0.000 0.211 541 G HA3 -0.244 3.716 3.960 0.000 0.000 0.211 541 G C 0.052 174.945 174.900 -0.012 0.000 1.013 541 G CA 0.159 45.256 45.100 -0.004 0.000 0.705 541 G HN 0.395 nan 8.290 nan 0.000 0.508 542 I N 0.503 121.058 120.570 -0.025 0.000 2.519 542 I HA 0.570 4.741 4.170 0.000 0.000 0.287 542 I C 1.451 177.575 176.117 0.012 0.000 1.047 542 I CA 0.248 61.544 61.300 -0.006 0.000 1.381 542 I CB 1.021 39.007 38.000 -0.022 0.000 1.417 542 I HN 0.068 nan 8.210 nan 0.000 0.540 543 G N 4.958 113.773 108.800 0.026 0.000 2.442 543 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 543 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 543 G C 1.301 176.221 174.900 0.033 0.000 1.141 543 G CA 0.757 45.864 45.100 0.011 0.000 0.763 543 G HN 0.918 nan 8.290 nan 0.000 0.554 544 G N 0.079 108.959 108.800 0.134 0.000 2.462 544 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 544 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 544 G C 1.622 176.645 174.900 0.204 0.000 1.121 544 G CA 1.107 46.412 45.100 0.342 0.000 0.758 544 G HN 0.481 nan 8.290 nan 0.000 0.559 545 N N -0.161 118.577 118.700 0.064 0.000 2.244 545 N HA -0.070 4.670 4.740 0.000 0.000 0.189 545 N C 1.988 177.475 175.510 -0.038 0.000 1.047 545 N CA 0.649 53.683 53.050 -0.028 0.000 0.870 545 N CB -0.209 38.218 38.487 -0.100 0.000 1.041 545 N HN 0.269 nan 8.380 nan 0.000 0.448 546 E N 1.067 121.246 120.200 -0.035 0.000 2.246 546 E HA -0.386 3.965 4.350 0.000 0.000 0.232 546 E C 1.731 178.317 176.600 -0.024 0.000 1.087 546 E CA 2.178 58.562 56.400 -0.028 0.000 0.964 546 E CB -0.236 29.456 29.700 -0.015 0.000 0.827 546 E HN 0.297 nan 8.360 nan 0.000 0.476 547 Q N 0.568 120.357 119.800 -0.019 0.000 1.942 547 Q HA -0.137 4.203 4.340 0.000 0.000 0.203 547 Q C 2.405 178.395 176.000 -0.015 0.000 0.987 547 Q CA 3.007 58.796 55.803 -0.024 0.000 0.844 547 Q CB -0.916 27.797 28.738 -0.042 0.000 0.911 547 Q HN 0.335 nan 8.270 nan 0.000 0.423 548 V N -0.638 119.279 119.914 0.006 0.000 2.660 548 V HA -0.222 3.898 4.120 0.000 0.000 0.257 548 V C 1.254 177.351 176.094 0.004 0.000 1.088 548 V CA 2.249 64.562 62.300 0.022 0.000 1.106 548 V CB -0.880 30.988 31.823 0.075 0.000 0.686 548 V HN 0.222 nan 8.190 nan 0.000 0.481 549 D N 0.030 120.418 120.400 -0.020 0.000 2.137 549 D HA -0.020 4.621 4.640 0.000 0.000 0.202 549 D C 2.155 178.447 176.300 -0.013 0.000 0.970 549 D CA 0.900 54.878 54.000 -0.036 0.000 0.837 549 D CB -0.329 40.419 40.800 -0.087 0.000 0.981 549 D HN 0.273 nan 8.370 nan 0.000 0.475 550 K N 0.604 120.996 120.400 -0.013 0.000 2.280 550 K HA 0.007 4.327 4.320 0.000 0.000 0.202 550 K C 2.118 178.713 176.600 -0.009 0.000 1.047 550 K CA 0.216 56.498 56.287 -0.009 0.000 0.942 550 K CB -0.378 32.114 32.500 -0.014 0.000 0.739 550 K HN 0.268 nan 8.250 nan 0.000 0.457 551 L N 0.299 121.515 121.223 -0.012 0.000 2.131 551 L HA -0.168 4.172 4.340 0.000 0.000 0.210 551 L C 2.156 179.023 176.870 -0.005 0.000 1.092 551 L CA 0.681 55.512 54.840 -0.015 0.000 0.759 551 L CB -0.606 41.442 42.059 -0.018 0.000 0.903 551 L HN -0.140 nan 8.230 nan 0.000 0.435 552 V N -1.339 118.578 119.914 0.004 0.000 2.568 552 V HA -0.270 3.850 4.120 0.000 0.000 0.253 552 V C 2.518 178.620 176.094 0.013 0.000 1.072 552 V CA 1.734 64.042 62.300 0.014 0.000 1.084 552 V CB -0.564 31.273 31.823 0.024 0.000 0.676 552 V HN 0.368 nan 8.190 nan 0.000 0.469 553 S N 0.056 115.761 115.700 0.008 0.000 2.465 553 S HA -0.153 4.317 4.470 0.000 0.000 0.241 553 S C 2.093 176.696 174.600 0.005 0.000 1.000 553 S CA 1.133 59.338 58.200 0.008 0.000 0.964 553 S CB -0.364 62.838 63.200 0.004 0.000 0.763 553 S HN 0.699 nan 8.310 nan 0.000 0.512 554 A N 0.546 123.367 122.820 0.002 0.000 2.172 554 A HA 0.148 4.468 4.320 0.000 0.000 0.216 554 A C 2.046 179.633 177.584 0.004 0.000 1.154 554 A CA 1.401 53.437 52.037 -0.001 0.000 0.701 554 A CB -0.670 18.327 19.000 -0.005 0.000 0.789 554 A HN 0.531 nan 8.150 nan 0.000 0.465 555 G N -1.335 107.470 108.800 0.009 0.000 2.490 555 G HA2 0.436 4.396 3.960 0.000 0.000 0.211 555 G HA3 0.436 4.396 3.960 0.000 0.000 0.211 555 G C 0.507 175.414 174.900 0.011 0.000 1.159 555 G CA 1.318 46.425 45.100 0.012 0.000 0.819 555 G HN 1.483 nan 8.290 nan 0.000 0.539 556 I N -2.919 117.658 120.570 0.012 0.000 2.298 556 I HA 0.767 4.937 4.170 0.000 0.000 0.315 556 I C -0.763 175.362 176.117 0.013 0.000 2.427 556 I CA -0.334 60.972 61.300 0.011 0.000 0.946 556 I CB 0.600 38.607 38.000 0.012 0.000 1.762 556 I HN 0.785 nan 8.210 nan 0.000 0.688 557 R N 0.896 121.403 120.500 0.012 0.000 2.795 557 R HA 1.217 5.557 4.340 0.000 0.000 0.275 557 R C -0.290 176.019 176.300 0.014 0.000 0.981 557 R CA 0.732 56.841 56.100 0.014 0.000 0.917 557 R CB 0.837 31.144 30.300 0.011 0.000 1.202 557 R HN 2.874 nan 8.270 nan 0.000 0.469 558 K N 0.000 120.411 120.400 0.018 0.000 2.780 558 K HA 0.000 4.320 4.320 0.000 0.000 0.191 558 K CA 0.000 56.296 56.287 0.015 0.000 0.838 558 K CB 0.000 32.509 32.500 0.015 0.000 1.064 558 K HN 0.000 nan 8.250 nan 0.000 0.543