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 2hmi_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 0.000 177.346 177.300 0.077 0.000 1.155 1 P CA 0.000 63.139 63.100 0.066 0.000 0.800 1 P CB 0.000 31.727 31.700 0.046 0.000 0.726 2 I N 0.619 121.224 120.570 0.057 0.000 2.533 2 I HA 0.212 4.382 4.170 -0.000 0.000 0.284 2 I C 0.769 176.929 176.117 0.073 0.000 1.109 2 I CA 0.116 61.453 61.300 0.063 0.000 1.412 2 I CB 0.832 38.855 38.000 0.039 0.000 1.396 2 I HN 0.271 nan 8.210 nan 0.000 0.543 3 S N 8.347 124.115 115.700 0.113 0.000 2.548 3 S HA 0.277 4.747 4.470 -0.000 0.000 0.277 3 S C -1.425 173.250 174.600 0.125 0.000 1.315 3 S CA -1.222 57.069 58.200 0.152 0.000 1.050 3 S CB 0.774 64.106 63.200 0.220 0.000 0.918 3 S HN 0.475 nan 8.310 nan 0.000 0.497 4 P HA 0.192 nan 4.420 nan 0.000 0.253 4 P C 0.049 177.452 177.300 0.171 0.000 1.459 4 P CA -0.281 62.817 63.100 -0.004 0.000 0.908 4 P CB -0.229 31.322 31.700 -0.249 0.000 1.470 5 I N 0.521 121.326 120.570 0.392 0.000 2.638 5 I HA 0.087 4.257 4.170 -0.000 0.000 0.286 5 I C 0.481 176.740 176.117 0.236 0.000 1.088 5 I CA -0.967 60.622 61.300 0.482 0.000 1.397 5 I CB 0.291 38.477 38.000 0.310 0.000 1.414 5 I HN -0.119 nan 8.210 nan 0.000 0.566 6 E N 3.374 123.690 120.200 0.193 0.000 2.413 6 E HA 0.026 4.376 4.350 -0.000 0.000 0.263 6 E C -0.285 176.373 176.600 0.096 0.000 1.015 6 E CA 0.157 56.630 56.400 0.121 0.000 0.916 6 E CB 0.340 30.098 29.700 0.096 0.000 0.947 6 E HN 0.609 nan 8.360 nan 0.000 0.440 7 T N 2.090 116.697 114.554 0.088 0.000 2.832 7 T HA 0.161 4.511 4.350 -0.000 0.000 0.296 7 T C -0.350 174.399 174.700 0.081 0.000 0.968 7 T CA -0.669 61.484 62.100 0.088 0.000 1.107 7 T CB 0.524 69.447 68.868 0.091 0.000 0.916 7 T HN 0.121 nan 8.240 nan 0.000 0.517 8 V N 9.741 129.705 119.914 0.084 0.000 2.488 8 V HA 0.315 4.435 4.120 -0.000 0.000 0.277 8 V C -1.489 174.670 176.094 0.108 0.000 1.046 8 V CA -1.451 60.900 62.300 0.086 0.000 0.986 8 V CB 1.035 32.906 31.823 0.079 0.000 0.989 8 V HN 0.825 nan 8.190 nan 0.000 0.475 9 P HA 0.336 nan 4.420 nan 0.000 0.274 9 P C -0.936 176.422 177.300 0.098 0.000 1.237 9 P CA -0.011 63.149 63.100 0.099 0.000 0.793 9 P CB 1.795 33.543 31.700 0.080 0.000 0.977 10 V N 0.924 120.886 119.914 0.079 0.000 3.000 10 V HA 0.554 4.674 4.120 -0.000 0.000 0.300 10 V C -1.200 174.920 176.094 0.044 0.000 1.251 10 V CA -0.738 61.559 62.300 -0.005 0.000 0.972 10 V CB 2.186 33.950 31.823 -0.098 0.000 1.065 10 V HN 0.866 nan 8.190 nan 0.000 0.431 11 K N 5.532 125.941 120.400 0.014 0.000 2.378 11 K HA 0.784 5.104 4.320 -0.000 0.000 0.244 11 K C -1.435 175.216 176.600 0.085 0.000 1.039 11 K CA -1.069 55.293 56.287 0.125 0.000 0.863 11 K CB 2.400 34.945 32.500 0.076 0.000 1.326 11 K HN 0.640 nan 8.250 nan 0.000 0.460 12 L N 1.304 122.584 121.223 0.096 0.000 2.334 12 L HA 0.381 4.721 4.340 -0.000 0.000 0.277 12 L C 0.524 177.381 176.870 -0.022 0.000 1.075 12 L CA -0.819 54.024 54.840 0.005 0.000 0.804 12 L CB 1.138 43.116 42.059 -0.135 0.000 1.174 12 L HN 0.893 nan 8.230 nan 0.000 0.438 13 K N 3.800 124.177 120.400 -0.039 0.000 2.530 13 K HA 0.085 4.405 4.320 -0.000 0.000 0.280 13 K C -2.139 174.448 176.600 -0.022 0.000 1.004 13 K CA -0.952 55.312 56.287 -0.039 0.000 1.071 13 K CB -1.215 31.261 32.500 -0.039 0.000 0.876 13 K HN 0.505 nan 8.250 nan 0.000 0.487 14 P HA 0.068 nan 4.420 nan 0.000 0.250 14 P C 0.780 178.079 177.300 -0.002 0.000 1.198 14 P CA 1.323 64.421 63.100 -0.003 0.000 1.118 14 P CB -0.106 31.591 31.700 -0.004 0.000 1.208 15 G N 2.433 111.234 108.800 0.001 0.000 3.611 15 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.217 15 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.217 15 G C 0.090 174.993 174.900 0.005 0.000 1.023 15 G CA -0.245 44.858 45.100 0.004 0.000 0.887 15 G HN 0.383 nan 8.290 nan 0.000 0.420 16 M N 0.133 119.729 119.600 -0.007 0.000 2.416 16 M HA 0.755 5.234 4.480 -0.000 0.000 0.227 16 M C 0.073 176.360 176.300 -0.022 0.000 1.063 16 M CA -0.304 54.989 55.300 -0.012 0.000 1.192 16 M CB 0.906 33.492 32.600 -0.024 0.000 1.274 16 M HN 0.171 nan 8.290 nan 0.000 0.645 17 D N -1.505 118.867 120.400 -0.047 0.000 2.921 17 D HA 0.431 5.071 4.640 -0.000 0.000 0.329 17 D C -0.885 175.279 176.300 -0.226 0.000 1.293 17 D CA -0.196 53.765 54.000 -0.064 0.000 0.964 17 D CB 0.817 41.672 40.800 0.093 0.000 1.435 17 D HN 0.667 nan 8.370 nan 0.000 0.548 18 G N 0.130 108.751 108.800 -0.299 0.000 2.554 18 G HA2 0.394 4.354 3.960 -0.000 0.000 0.238 18 G HA3 0.394 4.354 3.960 -0.000 0.000 0.238 18 G C -2.185 172.655 174.900 -0.100 0.000 1.259 18 G CA -0.683 43.997 45.100 -0.700 0.000 0.843 18 G HN 0.378 nan 8.290 nan 0.000 0.582 19 P HA 0.266 nan 4.420 nan 0.000 0.287 19 P C -0.977 176.425 177.300 0.170 0.000 1.307 19 P CA -0.209 62.937 63.100 0.076 0.000 0.777 19 P CB 1.011 32.756 31.700 0.075 0.000 0.883 20 K N 2.868 123.352 120.400 0.141 0.000 2.473 20 K HA 0.476 4.796 4.320 -0.000 0.000 0.246 20 K C -0.784 175.833 176.600 0.027 0.000 1.011 20 K CA -0.733 55.617 56.287 0.105 0.000 0.984 20 K CB 1.526 34.086 32.500 0.099 0.000 1.250 20 K HN 0.214 nan 8.250 nan 0.000 0.454 21 V N 3.908 123.817 119.914 -0.008 0.000 2.656 21 V HA 0.236 4.356 4.120 -0.000 0.000 0.307 21 V C -0.161 175.828 176.094 -0.175 0.000 1.051 21 V CA -1.264 60.991 62.300 -0.076 0.000 0.893 21 V CB 1.725 33.518 31.823 -0.050 0.000 0.999 21 V HN 0.645 nan 8.190 nan 0.000 0.426 22 K N 2.978 123.192 120.400 -0.310 0.000 2.451 22 K HA 0.096 4.416 4.320 -0.000 0.000 0.280 22 K C -0.282 175.935 176.600 -0.639 0.000 1.020 22 K CA -0.232 55.763 56.287 -0.486 0.000 1.008 22 K CB 0.838 32.925 32.500 -0.688 0.000 0.917 22 K HN 0.667 nan 8.250 nan 0.000 0.478 23 Q N 4.024 123.588 119.800 -0.394 0.000 2.389 23 Q HA 0.133 4.473 4.340 -0.000 0.000 0.244 23 Q C -1.294 174.591 176.000 -0.192 0.000 1.056 23 Q CA -0.109 55.544 55.803 -0.249 0.000 0.908 23 Q CB 0.091 28.785 28.738 -0.073 0.000 1.273 23 Q HN 0.530 nan 8.270 nan 0.000 0.471 24 W N 5.599 126.908 121.300 0.015 0.000 2.148 24 W HA 0.202 4.862 4.660 -0.000 0.000 0.347 24 W C -1.644 174.884 176.519 0.015 0.000 1.288 24 W CA -1.644 55.708 57.345 0.012 0.000 1.252 24 W CB 0.167 29.630 29.460 0.006 0.000 1.156 24 W HN 0.517 nan 8.180 nan 0.000 0.580 25 P HA 0.074 nan 4.420 nan 0.000 0.282 25 P C -0.346 177.032 177.300 0.129 0.000 1.262 25 P CA -0.008 63.187 63.100 0.159 0.000 0.773 25 P CB 0.954 32.733 31.700 0.132 0.000 0.879 26 L N 3.102 124.384 121.223 0.099 0.000 2.490 26 L HA 0.281 4.621 4.340 -0.000 0.000 0.245 26 L C 1.148 178.048 176.870 0.051 0.000 1.185 26 L CA 0.057 54.940 54.840 0.072 0.000 0.813 26 L CB 0.258 42.356 42.059 0.064 0.000 1.233 26 L HN 0.374 nan 8.230 nan 0.000 0.489 27 T N -0.329 114.247 114.554 0.037 0.000 2.919 27 T HA 0.185 4.534 4.350 -0.000 0.000 0.302 27 T C 1.432 176.150 174.700 0.029 0.000 1.031 27 T CA 0.198 62.314 62.100 0.027 0.000 1.127 27 T CB 0.724 69.602 68.868 0.018 0.000 0.952 27 T HN 0.701 nan 8.240 nan 0.000 0.540 28 E N 1.905 122.121 120.200 0.025 0.000 2.114 28 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 28 E C 2.333 178.948 176.600 0.024 0.000 1.008 28 E CA 2.327 58.742 56.400 0.025 0.000 0.810 28 E CB -1.655 28.057 29.700 0.020 0.000 0.739 28 E HN 0.943 nan 8.360 nan 0.000 0.456 29 E N 0.216 120.428 120.200 0.020 0.000 2.072 29 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 29 E C 2.507 179.120 176.600 0.021 0.000 0.982 29 E CA 2.482 58.893 56.400 0.018 0.000 0.803 29 E CB -1.270 28.438 29.700 0.013 0.000 0.755 29 E HN 0.855 nan 8.360 nan 0.000 0.453 30 K N 0.727 121.140 120.400 0.022 0.000 2.044 30 K HA -0.045 4.275 4.320 -0.000 0.000 0.210 30 K C 2.330 178.949 176.600 0.032 0.000 1.049 30 K CA 1.585 57.886 56.287 0.024 0.000 0.927 30 K CB -1.011 31.503 32.500 0.024 0.000 0.713 30 K HN 0.541 nan 8.250 nan 0.000 0.443 31 I N 1.170 121.764 120.570 0.039 0.000 2.127 31 I HA -0.294 3.876 4.170 -0.000 0.000 0.241 31 I C 3.231 179.377 176.117 0.049 0.000 1.075 31 I CA 2.305 63.635 61.300 0.051 0.000 1.334 31 I CB -0.685 37.346 38.000 0.051 0.000 1.040 31 I HN 0.518 nan 8.210 nan 0.000 0.405 32 K N 1.087 121.511 120.400 0.039 0.000 2.059 32 K HA -0.214 4.106 4.320 -0.000 0.000 0.212 32 K C 2.279 178.899 176.600 0.034 0.000 1.050 32 K CA 2.014 58.323 56.287 0.036 0.000 0.927 32 K CB -1.574 30.942 32.500 0.027 0.000 0.714 32 K HN 0.513 nan 8.250 nan 0.000 0.447 33 A N 0.879 123.716 122.820 0.028 0.000 1.851 33 A HA -0.039 4.280 4.320 -0.000 0.000 0.216 33 A C 2.533 180.132 177.584 0.025 0.000 1.195 33 A CA 1.728 53.779 52.037 0.022 0.000 0.622 33 A CB -0.510 18.499 19.000 0.016 0.000 0.831 33 A HN 0.482 nan 8.150 nan 0.000 0.444 34 L N -0.300 120.942 121.223 0.032 0.000 2.081 34 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 34 L C 2.542 179.442 176.870 0.050 0.000 1.080 34 L CA 1.394 56.257 54.840 0.038 0.000 0.754 34 L CB -0.705 41.389 42.059 0.058 0.000 0.893 34 L HN 0.303 nan 8.230 nan 0.000 0.433 35 V N -0.045 119.907 119.914 0.064 0.000 2.237 35 V HA -0.310 3.810 4.120 -0.000 0.000 0.245 35 V C 3.040 179.161 176.094 0.045 0.000 1.046 35 V CA 2.384 64.730 62.300 0.077 0.000 1.007 35 V CB -1.395 30.474 31.823 0.076 0.000 0.638 35 V HN 0.605 nan 8.190 nan 0.000 0.445 36 E N 0.567 120.787 120.200 0.034 0.000 2.108 36 E HA -0.291 4.059 4.350 -0.000 0.000 0.203 36 E C 1.941 178.546 176.600 0.009 0.000 1.022 36 E CA 2.295 58.708 56.400 0.023 0.000 0.823 36 E CB -0.664 29.047 29.700 0.020 0.000 0.744 36 E HN 0.516 nan 8.360 nan 0.000 0.456 37 I N 0.707 121.278 120.570 0.002 0.000 2.090 37 I HA -0.220 3.950 4.170 -0.000 0.000 0.236 37 I C 2.896 178.979 176.117 -0.057 0.000 1.064 37 I CA 1.080 62.374 61.300 -0.011 0.000 1.324 37 I CB -1.725 36.272 38.000 -0.005 0.000 1.044 37 I HN 0.469 nan 8.210 nan 0.000 0.399 38 C N 0.799 120.032 119.300 -0.113 0.000 2.385 38 C HA -0.220 4.240 4.460 -0.000 0.000 0.275 38 C C 3.069 177.878 174.990 -0.302 0.000 1.207 38 C CA 1.740 60.544 59.018 -0.357 0.000 1.760 38 C CB -1.344 26.037 27.740 -0.598 0.000 2.051 38 C HN 0.572 nan 8.230 nan 0.000 0.467 39 T N 0.277 114.779 114.554 -0.087 0.000 2.684 39 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 39 T C 2.153 176.851 174.700 -0.002 0.000 1.036 39 T CA 2.327 64.439 62.100 0.019 0.000 1.148 39 T CB -0.571 68.332 68.868 0.058 0.000 0.863 39 T HN 0.825 nan 8.240 nan 0.000 0.436 40 E N 1.743 121.938 120.200 -0.009 0.000 2.021 40 E HA -0.211 4.139 4.350 -0.000 0.000 0.200 40 E C 2.045 178.643 176.600 -0.004 0.000 1.015 40 E CA 1.909 58.312 56.400 0.003 0.000 0.824 40 E CB -1.116 28.591 29.700 0.012 0.000 0.762 40 E HN 0.642 nan 8.360 nan 0.000 0.454 41 M N -0.228 119.357 119.600 -0.025 0.000 2.106 41 M HA -0.181 4.299 4.480 -0.000 0.000 0.259 41 M C 2.535 178.800 176.300 -0.058 0.000 1.068 41 M CA 2.264 57.541 55.300 -0.038 0.000 1.100 41 M CB -0.362 32.186 32.600 -0.086 0.000 1.351 41 M HN 0.577 nan 8.290 nan 0.000 0.404 42 E N 1.258 121.419 120.200 -0.065 0.000 2.017 42 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 42 E C 2.314 178.922 176.600 0.013 0.000 0.997 42 E CA 2.201 58.599 56.400 -0.004 0.000 0.804 42 E CB -0.051 29.704 29.700 0.090 0.000 0.757 42 E HN 0.449 nan 8.360 nan 0.000 0.448 43 K N 0.240 120.652 120.400 0.020 0.000 2.173 43 K HA -0.262 4.058 4.320 -0.000 0.000 0.207 43 K C 2.028 178.637 176.600 0.015 0.000 1.046 43 K CA 2.473 58.772 56.287 0.020 0.000 0.929 43 K CB -1.655 30.858 32.500 0.021 0.000 0.720 43 K HN 0.536 nan 8.250 nan 0.000 0.453 44 E N -1.290 118.917 120.200 0.012 0.000 2.004 44 E HA 0.305 4.655 4.350 -0.000 0.000 0.192 44 E C 1.954 178.559 176.600 0.007 0.000 0.987 44 E CA 1.777 58.186 56.400 0.016 0.000 0.822 44 E CB -0.617 29.099 29.700 0.027 0.000 0.779 44 E HN 1.463 nan 8.360 nan 0.000 0.458 45 G N -1.178 107.617 108.800 -0.009 0.000 3.216 45 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.221 45 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.221 45 G C 0.954 175.826 174.900 -0.047 0.000 0.949 45 G CA 0.565 45.656 45.100 -0.016 0.000 0.952 45 G HN 0.278 nan 8.290 nan 0.000 0.657 46 K N -0.130 120.216 120.400 -0.089 0.000 2.243 46 K HA 0.370 4.690 4.320 -0.000 0.000 0.201 46 K C 1.233 177.681 176.600 -0.253 0.000 1.051 46 K CA 1.205 57.372 56.287 -0.200 0.000 0.970 46 K CB 0.252 32.581 32.500 -0.286 0.000 0.755 46 K HN 0.708 nan 8.250 nan 0.000 0.465 47 I N -4.115 116.337 120.570 -0.197 0.000 3.239 47 I HA 0.479 4.649 4.170 -0.000 0.000 0.314 47 I C -0.806 175.283 176.117 -0.046 0.000 1.126 47 I CA -1.152 60.043 61.300 -0.175 0.000 0.973 47 I CB 2.293 40.128 38.000 -0.274 0.000 1.252 47 I HN -0.339 nan 8.210 nan 0.000 0.463 48 S N 1.146 116.851 115.700 0.008 0.000 2.540 48 S HA 0.434 4.903 4.470 -0.000 0.000 0.275 48 S C -0.930 173.695 174.600 0.041 0.000 1.123 48 S CA -0.855 57.366 58.200 0.035 0.000 0.907 48 S CB 1.458 64.655 63.200 -0.005 0.000 1.081 48 S HN 0.545 nan 8.310 nan 0.000 0.476 49 K N 3.358 123.750 120.400 -0.014 0.000 2.436 49 K HA 0.258 4.577 4.320 -0.000 0.000 0.275 49 K C 0.478 176.983 176.600 -0.158 0.000 0.999 49 K CA 0.009 56.175 56.287 -0.202 0.000 0.980 49 K CB 0.214 32.575 32.500 -0.232 0.000 0.919 49 K HN 0.721 nan 8.250 nan 0.000 0.484 50 I N -2.291 118.158 120.570 -0.203 0.000 3.205 50 I HA 0.603 4.773 4.170 -0.000 0.000 0.310 50 I C 0.378 176.414 176.117 -0.135 0.000 1.089 50 I CA -0.930 60.284 61.300 -0.142 0.000 1.023 50 I CB 1.719 39.640 38.000 -0.132 0.000 1.269 50 I HN 0.440 nan 8.210 nan 0.000 0.512 51 G N 0.721 109.458 108.800 -0.105 0.000 2.462 51 G HA2 0.587 4.547 3.960 -0.000 0.000 0.319 51 G HA3 0.587 4.547 3.960 -0.000 0.000 0.319 51 G C -2.432 172.410 174.900 -0.097 0.000 1.171 51 G CA -1.488 43.555 45.100 -0.095 0.000 0.920 51 G HN 0.633 nan 8.290 nan 0.000 0.499 52 P HA 0.154 nan 4.420 nan 0.000 0.218 52 P C -0.115 177.134 177.300 -0.084 0.000 1.793 52 P CA 0.090 63.138 63.100 -0.086 0.000 0.941 52 P CB 0.460 32.114 31.700 -0.076 0.000 1.919 53 E N -0.685 119.459 120.200 -0.094 0.000 2.653 53 E HA 0.016 4.366 4.350 -0.000 0.000 0.218 53 E C -0.009 176.508 176.600 -0.139 0.000 0.911 53 E CA -0.109 56.230 56.400 -0.102 0.000 1.355 53 E CB -0.609 29.040 29.700 -0.085 0.000 1.314 53 E HN 0.029 nan 8.360 nan 0.000 0.686 54 N N 4.254 122.875 118.700 -0.133 0.000 2.400 54 N HA 0.076 4.816 4.740 -0.000 0.000 0.267 54 N C -1.644 173.742 175.510 -0.206 0.000 1.208 54 N CA -1.300 51.655 53.050 -0.159 0.000 0.951 54 N CB 1.047 39.488 38.487 -0.077 0.000 1.227 54 N HN 0.005 nan 8.380 nan 0.000 0.488 55 P HA 0.095 nan 4.420 nan 0.000 0.256 55 P C -0.893 176.212 177.300 -0.325 0.000 1.384 55 P CA 0.046 62.941 63.100 -0.342 0.000 0.879 55 P CB -0.163 31.308 31.700 -0.382 0.000 1.403 56 Y N 0.824 121.123 120.300 -0.001 0.000 2.387 56 Y HA 0.592 5.141 4.550 -0.000 0.000 0.330 56 Y C 0.725 176.639 175.900 0.024 0.000 1.133 56 Y CA -1.078 57.041 58.100 0.031 0.000 1.152 56 Y CB 1.119 39.624 38.460 0.076 0.000 1.215 56 Y HN -0.100 nan 8.280 nan 0.000 0.466 57 N N -0.292 118.528 118.700 0.200 0.000 2.635 57 N HA 0.330 5.070 4.740 -0.000 0.000 0.260 57 N C -1.607 173.944 175.510 0.069 0.000 1.078 57 N CA -0.489 52.634 53.050 0.121 0.000 1.012 57 N CB 1.146 39.669 38.487 0.059 0.000 1.677 57 N HN 0.648 nan 8.380 nan 0.000 0.514 58 T N 0.363 114.942 114.554 0.042 0.000 2.944 58 T HA 0.737 5.086 4.350 -0.000 0.000 0.284 58 T C -2.785 171.863 174.700 -0.087 0.000 1.010 58 T CA -1.821 60.232 62.100 -0.079 0.000 1.025 58 T CB 1.938 70.611 68.868 -0.325 0.000 1.079 58 T HN 0.210 nan 8.240 nan 0.000 0.516 59 P HA 0.596 nan 4.420 nan 0.000 0.285 59 P C -1.195 176.032 177.300 -0.122 0.000 1.269 59 P CA -0.799 62.258 63.100 -0.071 0.000 0.844 59 P CB 1.224 32.919 31.700 -0.009 0.000 1.094 60 V N 0.358 120.227 119.914 -0.074 0.000 2.876 60 V HA 0.866 4.986 4.120 -0.000 0.000 0.312 60 V C -1.524 174.554 176.094 -0.027 0.000 1.085 60 V CA -0.554 61.676 62.300 -0.117 0.000 0.945 60 V CB 1.142 32.844 31.823 -0.202 0.000 1.017 60 V HN 0.494 nan 8.190 nan 0.000 0.428 61 F N 3.753 123.684 119.950 -0.032 0.000 2.562 61 F HA 0.956 5.483 4.527 -0.000 0.000 0.319 61 F C -0.028 175.764 175.800 -0.013 0.000 1.154 61 F CA -0.521 57.480 58.000 0.000 0.000 0.931 61 F CB 1.123 40.131 39.000 0.014 0.000 1.198 61 F HN 1.246 nan 8.300 nan 0.000 0.444 62 A N 1.782 124.600 122.820 -0.004 0.000 2.281 62 A HA 0.942 5.262 4.320 -0.000 0.000 0.329 62 A C -0.671 176.911 177.584 -0.003 0.000 1.122 62 A CA -0.611 51.422 52.037 -0.006 0.000 0.850 62 A CB 1.434 20.434 19.000 -0.001 0.000 1.207 62 A HN 2.085 nan 8.150 nan 0.000 0.495 63 I N -0.104 120.463 120.570 -0.006 0.000 2.538 63 I HA 0.314 4.484 4.170 -0.000 0.000 0.244 63 I C 0.416 176.528 176.117 -0.008 0.000 1.500 63 I CA 0.472 61.768 61.300 -0.006 0.000 1.019 63 I CB 0.413 38.408 38.000 -0.008 0.000 1.507 63 I HN 0.659 nan 8.210 nan 0.000 0.476 64 K N 4.083 124.480 120.400 -0.005 0.000 3.225 64 K HA 0.538 4.858 4.320 -0.000 0.000 0.282 64 K C 1.029 177.626 176.600 -0.006 0.000 1.060 64 K CA 0.578 56.861 56.287 -0.006 0.000 1.186 64 K CB -0.815 31.684 32.500 -0.003 0.000 1.214 64 K HN 0.686 nan 8.250 nan 0.000 0.428 65 K N 0.264 120.660 120.400 -0.008 0.000 2.487 65 K HA 0.260 4.580 4.320 -0.000 0.000 0.192 65 K C 1.492 178.087 176.600 -0.009 0.000 1.027 65 K CA 1.019 57.302 56.287 -0.007 0.000 1.054 65 K CB -0.963 31.532 32.500 -0.008 0.000 0.824 65 K HN 0.880 nan 8.250 nan 0.000 0.510 66 K N 0.553 120.946 120.400 -0.011 0.000 2.136 66 K HA 0.477 4.797 4.320 -0.000 0.000 0.237 66 K C 0.587 177.182 176.600 -0.009 0.000 1.048 66 K CA 0.173 56.453 56.287 -0.012 0.000 0.880 66 K CB -0.986 31.504 32.500 -0.016 0.000 1.105 66 K HN 0.733 nan 8.250 nan 0.000 0.507 67 D N -0.437 119.958 120.400 -0.009 0.000 2.363 67 D HA 0.482 5.122 4.640 -0.000 0.000 0.240 67 D C 0.943 177.240 176.300 -0.005 0.000 1.236 67 D CA 0.279 54.275 54.000 -0.006 0.000 0.927 67 D CB -0.325 40.472 40.800 -0.005 0.000 1.150 67 D HN 1.198 nan 8.370 nan 0.000 0.458 68 S N -1.430 114.269 115.700 -0.002 0.000 2.554 68 S HA 0.521 4.991 4.470 -0.000 0.000 0.290 68 S C 1.862 176.461 174.600 -0.001 0.000 1.309 68 S CA 1.518 59.718 58.200 -0.001 0.000 1.047 68 S CB -0.958 62.243 63.200 0.002 0.000 0.828 68 S HN 2.282 nan 8.310 nan 0.000 0.509 69 T N -1.947 112.606 114.554 -0.000 0.000 5.221 69 T HA 0.275 4.625 4.350 -0.000 0.000 0.299 69 T C 0.447 175.143 174.700 -0.007 0.000 1.489 69 T CA 2.655 64.754 62.100 -0.001 0.000 2.593 69 T CB -2.681 66.189 68.868 0.002 0.000 1.859 69 T HN 2.251 nan 8.240 nan 0.000 0.982 70 K N -1.944 118.450 120.400 -0.010 0.000 2.553 70 K HA 0.736 5.056 4.320 -0.000 0.000 0.250 70 K C -0.616 175.974 176.600 -0.017 0.000 0.953 70 K CA 0.485 56.761 56.287 -0.018 0.000 0.800 70 K CB 0.271 32.760 32.500 -0.019 0.000 1.243 70 K HN 2.044 nan 8.250 nan 0.000 0.435 71 W N -1.165 120.122 121.300 -0.022 0.000 3.305 71 W HA 0.874 5.533 4.660 -0.000 0.000 0.398 71 W C -0.248 176.257 176.519 -0.023 0.000 1.077 71 W CA 0.049 57.383 57.345 -0.018 0.000 1.137 71 W CB 0.072 29.526 29.460 -0.010 0.000 1.501 71 W HN 1.602 nan 8.180 nan 0.000 0.612 72 R N -0.269 120.220 120.500 -0.018 0.000 2.515 72 R HA 0.819 5.159 4.340 -0.000 0.000 0.278 72 R C -0.524 175.767 176.300 -0.014 0.000 1.107 72 R CA 0.256 56.344 56.100 -0.019 0.000 0.945 72 R CB 0.650 30.938 30.300 -0.020 0.000 1.219 72 R HN 2.376 nan 8.270 nan 0.000 0.434 73 K N 0.784 121.175 120.400 -0.015 0.000 3.529 73 K HA 0.703 5.023 4.320 -0.000 0.000 0.163 73 K C -0.165 176.410 176.600 -0.043 0.000 1.066 73 K CA 0.465 56.736 56.287 -0.026 0.000 0.748 73 K CB -0.574 31.916 32.500 -0.018 0.000 0.839 73 K HN 2.092 nan 8.250 nan 0.000 0.503 74 L N -0.367 120.839 121.223 -0.030 0.000 2.440 74 L HA 0.956 5.296 4.340 -0.000 0.000 0.262 74 L C 0.719 177.533 176.870 -0.093 0.000 1.072 74 L CA -0.877 53.958 54.840 -0.008 0.000 0.798 74 L CB 0.963 43.049 42.059 0.045 0.000 1.307 74 L HN 0.289 nan 8.230 nan 0.000 0.475 75 V N -0.133 119.721 119.914 -0.100 0.000 2.630 75 V HA 0.442 4.561 4.120 -0.000 0.000 0.305 75 V C -0.441 175.557 176.094 -0.161 0.000 1.046 75 V CA -0.399 61.721 62.300 -0.301 0.000 0.934 75 V CB 1.604 32.952 31.823 -0.791 0.000 1.003 75 V HN 0.944 nan 8.190 nan 0.000 0.451 76 D N 2.101 122.397 120.400 -0.173 0.000 2.638 76 D HA 0.269 4.909 4.640 -0.000 0.000 0.245 76 D C 0.542 176.836 176.300 -0.010 0.000 1.176 76 D CA -0.382 53.601 54.000 -0.028 0.000 0.996 76 D CB -0.138 40.661 40.800 -0.002 0.000 1.012 76 D HN 0.387 nan 8.370 nan 0.000 0.515 77 F N 1.215 121.191 119.950 0.042 0.000 2.754 77 F HA -0.037 4.490 4.527 -0.000 0.000 0.298 77 F C 2.559 178.420 175.800 0.101 0.000 1.234 77 F CA 0.547 58.590 58.000 0.072 0.000 1.460 77 F CB -0.585 38.474 39.000 0.097 0.000 1.120 77 F HN 0.331 nan 8.300 nan 0.000 0.592 78 R N 0.589 121.214 120.500 0.208 0.000 2.159 78 R HA -0.294 4.046 4.340 -0.000 0.000 0.249 78 R C 2.005 178.396 176.300 0.151 0.000 1.136 78 R CA 2.183 58.376 56.100 0.155 0.000 0.951 78 R CB -1.485 28.875 30.300 0.100 0.000 0.876 78 R HN 0.357 nan 8.270 nan 0.000 0.440 79 E N 0.364 120.643 120.200 0.131 0.000 2.077 79 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 79 E C 2.052 178.734 176.600 0.137 0.000 0.989 79 E CA 1.270 57.736 56.400 0.110 0.000 0.800 79 E CB -0.365 29.384 29.700 0.082 0.000 0.746 79 E HN 0.531 nan 8.360 nan 0.000 0.452 80 L N 0.629 121.979 121.223 0.211 0.000 1.971 80 L HA -0.282 4.058 4.340 -0.000 0.000 0.215 80 L C 2.069 179.102 176.870 0.270 0.000 1.072 80 L CA 1.897 56.888 54.840 0.252 0.000 0.758 80 L CB -0.580 41.733 42.059 0.425 0.000 0.889 80 L HN 0.310 nan 8.230 nan 0.000 0.433 81 N N 0.198 119.085 118.700 0.312 0.000 2.060 81 N HA -0.298 4.442 4.740 -0.000 0.000 0.195 81 N C 1.587 177.176 175.510 0.132 0.000 1.028 81 N CA 1.565 54.755 53.050 0.234 0.000 0.861 81 N CB -0.262 38.331 38.487 0.176 0.000 1.029 81 N HN 0.318 nan 8.380 nan 0.000 0.428 82 K N 0.892 121.357 120.400 0.108 0.000 2.633 82 K HA -0.029 4.291 4.320 -0.000 0.000 0.193 82 K C 1.305 177.931 176.600 0.043 0.000 1.033 82 K CA 0.607 56.932 56.287 0.063 0.000 0.980 82 K CB 0.243 32.778 32.500 0.059 0.000 0.800 82 K HN 0.230 nan 8.250 nan 0.000 0.493 83 R N -2.014 118.518 120.500 0.053 0.000 2.561 83 R HA 0.077 4.417 4.340 -0.000 0.000 0.213 83 R C 0.094 176.405 176.300 0.019 0.000 0.885 83 R CA -0.025 56.082 56.100 0.011 0.000 1.002 83 R CB 0.341 30.619 30.300 -0.037 0.000 1.432 83 R HN -0.054 nan 8.270 nan 0.000 0.651 84 T N 4.326 118.942 114.554 0.104 0.000 2.902 84 T HA -0.024 4.326 4.350 -0.000 0.000 0.301 84 T C 0.415 175.077 174.700 -0.064 0.000 1.012 84 T CA 0.189 62.362 62.100 0.121 0.000 1.151 84 T CB 0.742 69.820 68.868 0.349 0.000 0.946 84 T HN 0.204 nan 8.240 nan 0.000 0.542 85 Q N 3.444 123.152 119.800 -0.153 0.000 2.593 85 Q HA -0.012 4.328 4.340 -0.000 0.000 0.285 85 Q C -0.413 175.332 176.000 -0.425 0.000 1.185 85 Q CA 0.137 55.783 55.803 -0.263 0.000 1.012 85 Q CB 0.425 28.974 28.738 -0.316 0.000 1.322 85 Q HN 0.555 nan 8.270 nan 0.000 0.500 86 D N -0.362 119.823 120.400 -0.357 0.000 2.466 86 D HA 0.407 5.046 4.640 -0.000 0.000 0.262 86 D C -0.417 175.574 176.300 -0.515 0.000 1.177 86 D CA -0.229 53.582 54.000 -0.316 0.000 1.035 86 D CB 0.472 41.210 40.800 -0.103 0.000 1.105 86 D HN 0.383 nan 8.370 nan 0.000 0.551 87 F N -1.203 118.721 119.950 -0.043 0.000 3.064 87 F HA 0.431 4.958 4.527 -0.000 0.000 0.353 87 F C -0.534 175.340 175.800 0.124 0.000 1.393 87 F CA -0.948 57.051 58.000 -0.002 0.000 1.080 87 F CB 1.318 40.265 39.000 -0.087 0.000 1.619 87 F HN 0.271 nan 8.300 nan 0.000 0.465 88 W N 1.970 123.375 121.300 0.175 0.000 2.538 88 W HA 0.240 4.900 4.660 -0.000 0.000 0.291 88 W C -0.063 176.466 176.519 0.016 0.000 1.020 88 W CA -0.489 56.889 57.345 0.055 0.000 1.375 88 W CB 1.155 30.631 29.460 0.027 0.000 1.247 88 W HN 0.499 nan 8.180 nan 0.000 0.377 89 E N 2.044 122.041 120.200 -0.339 0.000 2.370 89 E HA -0.168 4.182 4.350 -0.000 0.000 0.205 89 E C 1.451 177.908 176.600 -0.238 0.000 1.037 89 E CA 1.234 57.464 56.400 -0.284 0.000 0.845 89 E CB -0.216 29.311 29.700 -0.290 0.000 0.753 89 E HN 0.425 nan 8.360 nan 0.000 0.507 90 V N 0.705 120.467 119.914 -0.253 0.000 5.961 90 V HA -0.248 3.872 4.120 -0.000 0.000 0.311 90 V C -0.164 175.873 176.094 -0.094 0.000 0.552 90 V CA 1.103 63.384 62.300 -0.030 0.000 0.641 90 V CB -1.526 30.311 31.823 0.024 0.000 0.286 90 V HN 0.318 nan 8.190 nan 0.000 0.939 91 Q N -0.183 119.525 119.800 -0.154 0.000 2.263 91 Q HA 0.452 4.792 4.340 -0.000 0.000 0.262 91 Q C -0.048 175.893 176.000 -0.098 0.000 0.984 91 Q CA -0.592 55.143 55.803 -0.113 0.000 0.813 91 Q CB 2.367 31.031 28.738 -0.124 0.000 1.299 91 Q HN 0.417 nan 8.270 nan 0.000 0.428 92 L N 1.099 122.290 121.223 -0.054 0.000 2.741 92 L HA 0.457 4.797 4.340 -0.000 0.000 0.237 92 L C 0.240 177.083 176.870 -0.044 0.000 1.178 92 L CA 0.780 55.593 54.840 -0.044 0.000 0.973 92 L CB 0.365 42.408 42.059 -0.027 0.000 1.255 92 L HN 0.821 nan 8.230 nan 0.000 0.498 93 G N 0.001 108.783 108.800 -0.031 0.000 2.392 93 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.677 93 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.677 93 G C -0.785 174.128 174.900 0.021 0.000 1.334 93 G CA -0.430 44.665 45.100 -0.009 0.000 0.961 93 G HN 0.486 nan 8.290 nan 0.000 0.616 94 I N 0.594 121.176 120.570 0.021 0.000 2.823 94 I HA 0.725 4.895 4.170 -0.000 0.000 0.290 94 I C -1.030 175.005 176.117 -0.136 0.000 1.091 94 I CA -1.520 59.753 61.300 -0.045 0.000 1.365 94 I CB 0.957 38.862 38.000 -0.158 0.000 1.427 94 I HN 0.631 nan 8.210 nan 0.000 0.583 95 P HA 0.209 nan 4.420 nan 0.000 0.279 95 P C -1.389 175.740 177.300 -0.286 0.000 1.282 95 P CA -0.006 62.972 63.100 -0.204 0.000 0.788 95 P CB 0.546 32.197 31.700 -0.080 0.000 1.139 96 H N -0.121 118.737 119.070 -0.353 0.000 2.856 96 H HA 0.188 4.743 4.556 -0.000 0.000 0.355 96 H C -1.969 173.070 175.328 -0.481 0.000 1.079 96 H CA -1.667 54.054 56.048 -0.544 0.000 1.240 96 H CB 2.580 32.043 29.762 -0.498 0.000 1.701 96 H HN 0.140 nan 8.280 nan 0.000 0.527 97 P HA -0.185 nan 4.420 nan 0.000 0.215 97 P C 1.181 178.356 177.300 -0.209 0.000 1.157 97 P CA 1.958 64.693 63.100 -0.608 0.000 0.874 97 P CB 0.003 30.835 31.700 -1.447 0.000 0.790 98 A N 0.031 122.860 122.820 0.015 0.000 2.042 98 A HA -0.139 4.181 4.320 -0.000 0.000 0.222 98 A C 2.555 180.446 177.584 0.512 0.000 1.167 98 A CA 2.186 54.515 52.037 0.486 0.000 0.649 98 A CB -1.787 17.558 19.000 0.575 0.000 0.809 98 A HN 0.380 nan 8.150 nan 0.000 0.457 99 G N -1.112 107.728 108.800 0.067 0.000 2.453 99 G HA2 0.250 4.210 3.960 -0.000 0.000 0.215 99 G HA3 0.250 4.210 3.960 -0.000 0.000 0.215 99 G C 0.630 175.649 174.900 0.199 0.000 1.147 99 G CA 0.445 45.505 45.100 -0.067 0.000 0.802 99 G HN 0.486 nan 8.290 nan 0.000 0.535 100 L N 1.831 123.100 121.223 0.077 0.000 2.485 100 L HA 0.302 4.642 4.340 -0.000 0.000 0.275 100 L C 0.540 177.412 176.870 0.004 0.000 1.207 100 L CA -0.685 54.087 54.840 -0.112 0.000 0.855 100 L CB 0.542 42.283 42.059 -0.531 0.000 1.114 100 L HN 0.172 nan 8.230 nan 0.000 0.485 101 K N 3.934 124.317 120.400 -0.028 0.000 2.210 101 K HA 0.365 4.685 4.320 -0.000 0.000 0.236 101 K C -0.866 175.685 176.600 -0.082 0.000 1.016 101 K CA -0.800 55.515 56.287 0.047 0.000 0.913 101 K CB 0.668 33.220 32.500 0.086 0.000 1.141 101 K HN 0.601 nan 8.250 nan 0.000 0.462 102 K N 1.056 121.483 120.400 0.045 0.000 2.234 102 K HA 0.143 4.462 4.320 -0.000 0.000 0.282 102 K C -0.599 176.020 176.600 0.032 0.000 1.039 102 K CA -0.379 55.955 56.287 0.078 0.000 0.928 102 K CB 0.635 33.277 32.500 0.238 0.000 1.039 102 K HN 0.388 nan 8.250 nan 0.000 0.470 103 K N 2.795 123.200 120.400 0.008 0.000 2.331 103 K HA 0.201 4.521 4.320 -0.000 0.000 0.238 103 K C 0.324 176.932 176.600 0.014 0.000 1.058 103 K CA -0.790 55.497 56.287 0.001 0.000 0.871 103 K CB 1.278 33.759 32.500 -0.032 0.000 1.292 103 K HN 0.304 nan 8.250 nan 0.000 0.470 104 K N 0.498 120.899 120.400 0.002 0.000 2.021 104 K HA 0.116 4.436 4.320 -0.000 0.000 0.205 104 K C 0.140 176.707 176.600 -0.055 0.000 1.047 104 K CA 1.190 57.476 56.287 -0.002 0.000 0.943 104 K CB 0.147 32.652 32.500 0.008 0.000 0.725 104 K HN 0.443 nan 8.250 nan 0.000 0.439 105 S N -0.577 115.019 115.700 -0.175 0.000 2.526 105 S HA 0.644 5.114 4.470 -0.000 0.000 0.293 105 S C -1.270 172.938 174.600 -0.652 0.000 1.092 105 S CA -0.960 56.972 58.200 -0.446 0.000 0.980 105 S CB 2.444 65.218 63.200 -0.709 0.000 1.048 105 S HN -0.069 nan 8.310 nan 0.000 0.483 106 V N 1.603 121.243 119.914 -0.455 0.000 3.130 106 V HA 0.816 4.936 4.120 -0.000 0.000 0.310 106 V C -0.358 175.506 176.094 -0.383 0.000 1.158 106 V CA -0.573 61.435 62.300 -0.487 0.000 1.029 106 V CB 2.586 34.001 31.823 -0.681 0.000 1.057 106 V HN 0.985 nan 8.190 nan 0.000 0.436 107 T N 0.622 114.873 114.554 -0.503 0.000 2.792 107 T HA 0.658 5.008 4.350 -0.000 0.000 0.303 107 T C -1.521 172.934 174.700 -0.407 0.000 1.310 107 T CA -0.539 61.424 62.100 -0.229 0.000 1.007 107 T CB 2.124 70.995 68.868 0.005 0.000 1.335 107 T HN 0.415 nan 8.240 nan 0.000 0.504 108 V N 2.133 121.958 119.914 -0.148 0.000 2.498 108 V HA 0.396 4.516 4.120 -0.000 0.000 0.283 108 V C -0.733 175.302 176.094 -0.098 0.000 1.015 108 V CA -0.601 61.574 62.300 -0.209 0.000 0.867 108 V CB 0.982 32.600 31.823 -0.341 0.000 1.025 108 V HN 0.638 nan 8.190 nan 0.000 0.441 109 L N 3.627 124.821 121.223 -0.047 0.000 2.416 109 L HA 0.730 5.069 4.340 -0.000 0.000 0.262 109 L C -0.580 176.317 176.870 0.045 0.000 1.093 109 L CA -0.414 54.435 54.840 0.016 0.000 0.801 109 L CB 1.567 43.630 42.059 0.005 0.000 1.191 109 L HN 0.573 nan 8.230 nan 0.000 0.459 110 D N -0.374 120.069 120.400 0.071 0.000 2.859 110 D HA 0.431 5.071 4.640 -0.000 0.000 0.223 110 D C -1.091 175.260 176.300 0.085 0.000 1.218 110 D CA -0.431 53.625 54.000 0.093 0.000 0.850 110 D CB 2.386 43.252 40.800 0.109 0.000 1.656 110 D HN 0.259 nan 8.370 nan 0.000 0.484 111 V N -0.726 119.246 119.914 0.097 0.000 2.472 111 V HA 0.935 5.055 4.120 -0.000 0.000 0.290 111 V C 0.591 176.725 176.094 0.067 0.000 1.037 111 V CA -0.613 61.743 62.300 0.093 0.000 0.908 111 V CB 1.305 33.214 31.823 0.143 0.000 0.985 111 V HN 0.570 nan 8.190 nan 0.000 0.454 112 G N 1.686 110.520 108.800 0.056 0.000 2.389 112 G HA2 0.542 4.501 3.960 -0.000 0.000 0.317 112 G HA3 0.542 4.501 3.960 -0.000 0.000 0.317 112 G C -0.014 174.905 174.900 0.031 0.000 1.137 112 G CA 0.016 45.137 45.100 0.035 0.000 0.870 112 G HN 1.070 nan 8.290 nan 0.000 0.496 113 D N -0.430 119.972 120.400 0.003 0.000 3.079 113 D HA -0.247 4.393 4.640 -0.000 0.000 0.214 113 D C 1.900 178.219 176.300 0.032 0.000 1.145 113 D CA 1.393 55.413 54.000 0.033 0.000 0.958 113 D CB -1.078 39.785 40.800 0.105 0.000 1.117 113 D HN 0.729 nan 8.370 nan 0.000 0.416 114 A N -0.224 122.527 122.820 -0.115 0.000 1.883 114 A HA -0.335 3.984 4.320 -0.000 0.000 0.222 114 A C 1.907 179.194 177.584 -0.494 0.000 1.339 114 A CA 2.430 54.168 52.037 -0.499 0.000 0.692 114 A CB -1.309 17.049 19.000 -1.071 0.000 0.845 114 A HN 0.458 nan 8.150 nan 0.000 0.467 115 Y N -2.025 118.019 120.300 -0.426 0.000 2.207 115 Y HA -0.171 4.379 4.550 -0.000 0.000 0.287 115 Y C 1.740 177.817 175.900 0.296 0.000 1.156 115 Y CA 1.596 59.661 58.100 -0.059 0.000 1.182 115 Y CB -0.364 38.116 38.460 0.033 0.000 0.979 115 Y HN 0.331 nan 8.280 nan 0.000 0.521 116 F N -1.033 118.993 119.950 0.126 0.000 2.697 116 F HA 0.077 4.604 4.527 -0.000 0.000 0.297 116 F C 1.566 177.426 175.800 0.100 0.000 1.203 116 F CA -0.008 58.067 58.000 0.125 0.000 1.421 116 F CB -0.419 38.640 39.000 0.099 0.000 1.033 116 F HN -0.096 nan 8.300 nan 0.000 0.512 117 S N -1.627 114.222 115.700 0.249 0.000 2.670 117 S HA 0.188 4.658 4.470 -0.000 0.000 0.241 117 S C 0.504 175.225 174.600 0.201 0.000 1.077 117 S CA -0.052 58.269 58.200 0.202 0.000 0.899 117 S CB 0.654 63.977 63.200 0.204 0.000 0.835 117 S HN -0.150 nan 8.310 nan 0.000 0.481 118 V N 5.670 125.727 119.914 0.238 0.000 2.498 118 V HA 0.322 4.442 4.120 -0.000 0.000 0.279 118 V C -2.297 173.897 176.094 0.167 0.000 1.048 118 V CA -1.849 60.579 62.300 0.215 0.000 0.967 118 V CB 1.081 33.056 31.823 0.255 0.000 0.988 118 V HN 0.220 nan 8.190 nan 0.000 0.473 119 P HA 0.253 nan 4.420 nan 0.000 0.277 119 P C -0.744 176.628 177.300 0.121 0.000 1.240 119 P CA -0.495 62.671 63.100 0.110 0.000 0.798 119 P CB 1.515 33.272 31.700 0.094 0.000 0.979 120 L N 1.936 123.224 121.223 0.109 0.000 2.379 120 L HA 0.388 4.728 4.340 -0.000 0.000 0.269 120 L C 0.216 177.158 176.870 0.120 0.000 1.084 120 L CA -0.394 54.514 54.840 0.113 0.000 0.802 120 L CB 0.116 42.211 42.059 0.059 0.000 1.175 120 L HN 0.233 nan 8.230 nan 0.000 0.448 121 D N 2.246 122.732 120.400 0.144 0.000 2.536 121 D HA -0.117 4.523 4.640 -0.000 0.000 0.260 121 D C 1.136 177.527 176.300 0.151 0.000 1.270 121 D CA 0.920 55.011 54.000 0.152 0.000 0.934 121 D CB 0.633 41.544 40.800 0.185 0.000 1.129 121 D HN 0.749 nan 8.370 nan 0.000 0.533 122 E N 2.644 122.905 120.200 0.102 0.000 2.187 122 E HA -0.295 4.054 4.350 -0.000 0.000 0.199 122 E C 1.356 177.993 176.600 0.062 0.000 1.004 122 E CA 1.217 57.658 56.400 0.069 0.000 0.813 122 E CB -0.164 29.564 29.700 0.048 0.000 0.736 122 E HN 0.629 nan 8.360 nan 0.000 0.468 123 D N 0.130 120.585 120.400 0.092 0.000 2.144 123 D HA -0.179 4.461 4.640 -0.000 0.000 0.200 123 D C 1.612 177.970 176.300 0.096 0.000 0.978 123 D CA 0.809 54.859 54.000 0.083 0.000 0.833 123 D CB -0.086 40.782 40.800 0.112 0.000 0.961 123 D HN 0.304 nan 8.370 nan 0.000 0.470 124 F N 1.434 121.392 119.950 0.013 0.000 2.473 124 F HA 0.173 4.700 4.527 -0.000 0.000 0.294 124 F C 2.429 178.192 175.800 -0.062 0.000 1.103 124 F CA 0.177 58.208 58.000 0.051 0.000 1.442 124 F CB -0.029 39.057 39.000 0.143 0.000 1.097 124 F HN -0.227 nan 8.300 nan 0.000 0.547 125 R N 0.387 120.910 120.500 0.039 0.000 2.159 125 R HA -0.309 4.031 4.340 -0.000 0.000 0.249 125 R C 2.026 178.226 176.300 -0.167 0.000 1.136 125 R CA 2.056 58.135 56.100 -0.035 0.000 0.951 125 R CB -0.698 29.608 30.300 0.010 0.000 0.876 125 R HN 0.046 nan 8.270 nan 0.000 0.440 126 K N -0.055 120.184 120.400 -0.268 0.000 2.366 126 K HA -0.180 4.140 4.320 -0.000 0.000 0.202 126 K C 1.499 177.911 176.600 -0.313 0.000 1.045 126 K CA 1.439 57.561 56.287 -0.274 0.000 0.934 126 K CB -0.212 32.102 32.500 -0.309 0.000 0.746 126 K HN 0.284 nan 8.250 nan 0.000 0.470 127 Y N -0.577 119.482 120.300 -0.401 0.000 2.314 127 Y HA -0.061 4.489 4.550 -0.000 0.000 0.294 127 Y C 2.409 178.177 175.900 -0.221 0.000 1.119 127 Y CA 1.430 59.195 58.100 -0.558 0.000 1.179 127 Y CB -0.966 36.786 38.460 -1.181 0.000 1.025 127 Y HN 0.244 nan 8.280 nan 0.000 0.541 128 T N -1.316 113.243 114.554 0.008 0.000 2.962 128 T HA 0.063 4.413 4.350 -0.000 0.000 0.270 128 T C 1.218 176.213 174.700 0.492 0.000 1.088 128 T CA 0.306 62.623 62.100 0.361 0.000 1.127 128 T CB -0.922 68.075 68.868 0.216 0.000 0.883 128 T HN 0.269 nan 8.240 nan 0.000 0.493 129 A N 1.888 124.874 122.820 0.278 0.000 2.622 129 A HA 0.377 4.697 4.320 -0.000 0.000 0.236 129 A C 0.161 177.926 177.584 0.303 0.000 1.003 129 A CA 0.253 52.415 52.037 0.209 0.000 0.781 129 A CB -0.875 18.189 19.000 0.106 0.000 0.902 129 A HN 0.895 nan 8.150 nan 0.000 0.496 130 F N -0.579 119.450 119.950 0.131 0.000 2.692 130 F HA 0.876 5.403 4.527 -0.000 0.000 0.320 130 F C -0.230 175.619 175.800 0.082 0.000 1.123 130 F CA -0.789 57.253 58.000 0.070 0.000 0.961 130 F CB 1.283 40.311 39.000 0.047 0.000 1.383 130 F HN 0.379 nan 8.300 nan 0.000 0.483 131 T N 2.191 116.983 114.554 0.397 0.000 2.861 131 T HA 0.481 4.831 4.350 -0.000 0.000 0.287 131 T C -1.097 173.803 174.700 0.333 0.000 1.003 131 T CA -0.423 61.821 62.100 0.238 0.000 0.977 131 T CB 1.704 70.630 68.868 0.097 0.000 0.996 131 T HN 0.854 nan 8.240 nan 0.000 0.448 132 I N 5.282 126.030 120.570 0.297 0.000 2.310 132 I HA 0.341 4.511 4.170 -0.000 0.000 0.287 132 I C -2.078 174.127 176.117 0.147 0.000 1.073 132 I CA -2.683 58.770 61.300 0.255 0.000 1.216 132 I CB 0.969 39.156 38.000 0.311 0.000 1.415 132 I HN 0.347 nan 8.210 nan 0.000 0.480 133 P HA -0.072 nan 4.420 nan 0.000 0.265 133 P C -0.583 176.760 177.300 0.072 0.000 1.167 133 P CA 0.320 63.468 63.100 0.080 0.000 0.760 133 P CB 0.320 32.070 31.700 0.083 0.000 0.783 134 S N 2.242 117.974 115.700 0.053 0.000 2.651 134 S HA 0.623 5.093 4.470 -0.000 0.000 0.291 134 S C 0.585 175.209 174.600 0.040 0.000 1.141 134 S CA -1.096 57.131 58.200 0.044 0.000 1.027 134 S CB 0.866 64.083 63.200 0.029 0.000 1.043 134 S HN 0.486 nan 8.310 nan 0.000 0.530 135 I N -0.868 119.723 120.570 0.035 0.000 2.496 135 I HA 0.449 4.619 4.170 -0.000 0.000 0.285 135 I C 1.438 177.569 176.117 0.024 0.000 1.080 135 I CA -0.309 61.009 61.300 0.030 0.000 1.404 135 I CB -0.362 37.655 38.000 0.027 0.000 1.403 135 I HN 0.847 nan 8.210 nan 0.000 0.539 136 N N 3.968 122.682 118.700 0.023 0.000 2.269 136 N HA -0.407 4.333 4.740 -0.000 0.000 0.199 136 N C 1.538 177.056 175.510 0.014 0.000 0.984 136 N CA 2.806 55.867 53.050 0.019 0.000 0.910 136 N CB -1.741 36.757 38.487 0.018 0.000 1.002 136 N HN 0.953 nan 8.380 nan 0.000 0.465 137 N N -0.156 118.552 118.700 0.014 0.000 2.007 137 N HA 0.116 4.856 4.740 -0.000 0.000 0.197 137 N C 1.451 176.965 175.510 0.007 0.000 1.050 137 N CA 2.447 55.503 53.050 0.010 0.000 0.856 137 N CB -1.178 37.315 38.487 0.011 0.000 1.050 137 N HN 1.231 nan 8.380 nan 0.000 0.423 138 E N 0.259 120.463 120.200 0.007 0.000 2.167 138 E HA 0.465 4.815 4.350 -0.000 0.000 0.284 138 E C 1.211 177.812 176.600 0.001 0.000 1.016 138 E CA 0.055 56.456 56.400 0.002 0.000 0.817 138 E CB -0.145 29.556 29.700 0.001 0.000 1.080 138 E HN 0.550 nan 8.360 nan 0.000 0.397 139 T N 2.941 117.493 114.554 -0.003 0.000 2.544 139 T HA -0.075 4.275 4.350 -0.000 0.000 0.264 139 T C -0.932 173.764 174.700 -0.007 0.000 1.096 139 T CA 1.694 63.792 62.100 -0.004 0.000 1.181 139 T CB -0.955 67.908 68.868 -0.008 0.000 0.864 139 T HN 0.626 nan 8.240 nan 0.000 0.415 140 P HA 0.540 nan 4.420 nan 0.000 0.284 140 P C -0.144 177.144 177.300 -0.020 0.000 1.258 140 P CA -0.474 62.613 63.100 -0.022 0.000 0.824 140 P CB 1.025 32.706 31.700 -0.033 0.000 1.038 141 G N 0.815 109.604 108.800 -0.020 0.000 2.521 141 G HA2 0.614 4.574 3.960 -0.000 0.000 0.323 141 G HA3 0.614 4.574 3.960 -0.000 0.000 0.323 141 G C -0.418 174.457 174.900 -0.043 0.000 1.211 141 G CA -1.026 44.068 45.100 -0.011 0.000 0.979 141 G HN 0.457 nan 8.290 nan 0.000 0.490 142 I N 0.334 120.881 120.570 -0.037 0.000 2.519 142 I HA 0.362 4.532 4.170 -0.000 0.000 0.287 142 I C 0.091 176.094 176.117 -0.191 0.000 1.047 142 I CA -0.620 60.594 61.300 -0.142 0.000 1.381 142 I CB 0.891 38.820 38.000 -0.118 0.000 1.417 142 I HN 0.031 nan 8.210 nan 0.000 0.540 143 R N 5.081 125.359 120.500 -0.370 0.000 2.494 143 R HA 0.598 4.938 4.340 -0.000 0.000 0.305 143 R C -1.456 174.505 176.300 -0.565 0.000 0.959 143 R CA -0.991 54.905 56.100 -0.339 0.000 0.864 143 R CB 1.553 31.714 30.300 -0.231 0.000 1.159 143 R HN 0.485 nan 8.270 nan 0.000 0.446 144 Y N 0.290 120.286 120.300 -0.506 0.000 2.581 144 Y HA 0.342 4.891 4.550 -0.000 0.000 0.345 144 Y C 0.082 175.585 175.900 -0.661 0.000 1.036 144 Y CA -0.836 56.874 58.100 -0.649 0.000 1.042 144 Y CB 2.348 40.241 38.460 -0.944 0.000 1.289 144 Y HN 0.441 nan 8.280 nan 0.000 0.471 145 Q N 0.340 120.038 119.800 -0.170 0.000 2.421 145 Q HA 0.506 4.846 4.340 -0.000 0.000 0.280 145 Q C -2.050 173.999 176.000 0.082 0.000 1.085 145 Q CA -1.113 54.692 55.803 0.004 0.000 0.807 145 Q CB 2.086 30.831 28.738 0.011 0.000 1.405 145 Q HN 0.630 nan 8.270 nan 0.000 0.419 146 Y N 1.587 121.953 120.300 0.111 0.000 2.425 146 Y HA 0.103 4.653 4.550 -0.000 0.000 0.331 146 Y C 0.680 176.576 175.900 -0.007 0.000 1.157 146 Y CA 0.454 58.593 58.100 0.065 0.000 1.372 146 Y CB 1.051 39.553 38.460 0.070 0.000 1.253 146 Y HN 0.826 nan 8.280 nan 0.000 0.536 147 N N 0.400 119.126 118.700 0.043 0.000 2.197 147 N HA 0.110 4.850 4.740 -0.000 0.000 0.201 147 N C -0.574 174.957 175.510 0.034 0.000 1.148 147 N CA 0.144 53.211 53.050 0.028 0.000 0.883 147 N CB 0.632 39.112 38.487 -0.011 0.000 1.012 147 N HN 0.405 nan 8.380 nan 0.000 0.507 148 V N -2.427 117.505 119.914 0.031 0.000 3.285 148 V HA 0.539 4.659 4.120 -0.000 0.000 0.302 148 V C -0.028 176.137 176.094 0.118 0.000 1.247 148 V CA -1.052 61.267 62.300 0.032 0.000 1.035 148 V CB 0.947 32.694 31.823 -0.127 0.000 1.223 148 V HN -0.198 nan 8.190 nan 0.000 0.475 149 L N 3.395 124.721 121.223 0.171 0.000 2.312 149 L HA 0.423 4.763 4.340 -0.000 0.000 0.287 149 L C -2.229 174.843 176.870 0.337 0.000 1.091 149 L CA -1.465 53.535 54.840 0.266 0.000 0.846 149 L CB 1.037 43.315 42.059 0.364 0.000 1.219 149 L HN 0.547 nan 8.230 nan 0.000 0.439 150 P HA 0.105 nan 4.420 nan 0.000 0.275 150 P C -1.133 176.224 177.300 0.096 0.000 1.227 150 P CA -0.527 62.518 63.100 -0.092 0.000 0.781 150 P CB 0.973 31.933 31.700 -1.233 0.000 0.906 151 Q N 0.862 120.762 119.800 0.167 0.000 2.306 151 Q HA 0.515 4.855 4.340 -0.000 0.000 0.241 151 Q C 1.327 177.366 176.000 0.064 0.000 0.948 151 Q CA 0.318 56.109 55.803 -0.019 0.000 0.886 151 Q CB 0.000 28.659 28.738 -0.132 0.000 1.227 151 Q HN 0.811 nan 8.270 nan 0.000 0.457 152 G N -0.109 108.705 108.800 0.023 0.000 2.143 152 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.249 152 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.249 152 G C -1.030 173.984 174.900 0.190 0.000 0.981 152 G CA -0.001 45.163 45.100 0.108 0.000 0.665 152 G HN 0.576 nan 8.290 nan 0.000 0.528 153 W N 2.052 123.298 121.300 -0.090 0.000 2.538 153 W HA 0.597 5.257 4.660 -0.000 0.000 0.322 153 W C 1.308 177.809 176.519 -0.030 0.000 1.028 153 W CA -1.045 56.233 57.345 -0.111 0.000 1.228 153 W CB 0.717 29.984 29.460 -0.322 0.000 1.356 153 W HN 0.166 nan 8.180 nan 0.000 0.452 154 K N 2.988 123.115 120.400 -0.454 0.000 2.127 154 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 154 K C 1.683 177.826 176.600 -0.763 0.000 1.047 154 K CA 1.968 57.990 56.287 -0.443 0.000 0.927 154 K CB -0.678 31.683 32.500 -0.231 0.000 0.716 154 K HN 0.645 nan 8.250 nan 0.000 0.450 155 G N 1.112 108.877 108.800 -1.726 0.000 2.433 155 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 155 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 155 G C 1.524 175.770 174.900 -1.090 0.000 1.186 155 G CA 0.969 44.888 45.100 -1.968 0.000 0.779 155 G HN 0.365 nan 8.290 nan 0.000 0.543 156 S N 1.796 117.230 115.700 -0.443 0.000 2.407 156 S HA -0.173 4.297 4.470 -0.000 0.000 0.244 156 S C 0.379 175.006 174.600 0.044 0.000 1.077 156 S CA 2.188 60.511 58.200 0.204 0.000 1.159 156 S CB -0.968 62.623 63.200 0.651 0.000 1.045 156 S HN 0.293 nan 8.310 nan 0.000 0.438 157 P HA -0.211 nan 4.420 nan 0.000 0.210 157 P C 1.525 178.702 177.300 -0.204 0.000 1.151 157 P CA 1.974 65.060 63.100 -0.025 0.000 0.949 157 P CB -0.270 31.366 31.700 -0.107 0.000 0.786 158 A N -0.887 121.709 122.820 -0.373 0.000 1.940 158 A HA -0.213 4.106 4.320 -0.000 0.000 0.219 158 A C 2.185 179.577 177.584 -0.320 0.000 1.176 158 A CA 1.779 53.590 52.037 -0.377 0.000 0.631 158 A CB -1.600 17.090 19.000 -0.517 0.000 0.814 158 A HN 0.076 nan 8.150 nan 0.000 0.446 159 I N -1.570 118.789 120.570 -0.352 0.000 2.076 159 I HA -0.222 3.948 4.170 -0.000 0.000 0.237 159 I C 2.354 178.378 176.117 -0.155 0.000 1.059 159 I CA 1.683 62.865 61.300 -0.196 0.000 1.317 159 I CB -1.668 36.280 38.000 -0.087 0.000 1.037 159 I HN 0.427 nan 8.210 nan 0.000 0.398 160 F N 2.012 121.795 119.950 -0.278 0.000 2.236 160 F HA -0.254 4.273 4.527 -0.000 0.000 0.302 160 F C 2.627 178.275 175.800 -0.254 0.000 1.073 160 F CA 1.589 59.404 58.000 -0.308 0.000 1.336 160 F CB -0.303 38.353 39.000 -0.573 0.000 1.040 160 F HN 0.203 nan 8.300 nan 0.000 0.507 161 Q N -0.203 119.409 119.800 -0.314 0.000 1.942 161 Q HA -0.175 4.165 4.340 -0.000 0.000 0.203 161 Q C 2.382 178.188 176.000 -0.323 0.000 0.987 161 Q CA 1.997 57.608 55.803 -0.320 0.000 0.844 161 Q CB -0.775 27.832 28.738 -0.218 0.000 0.911 161 Q HN 0.344 nan 8.270 nan 0.000 0.423 162 S N 1.573 117.131 115.700 -0.236 0.000 2.368 162 S HA -0.212 4.258 4.470 -0.000 0.000 0.226 162 S C 2.264 176.719 174.600 -0.242 0.000 1.044 162 S CA 1.645 59.732 58.200 -0.189 0.000 1.062 162 S CB -0.489 62.635 63.200 -0.128 0.000 0.931 162 S HN 0.288 nan 8.310 nan 0.000 0.440 163 S N 1.749 117.278 115.700 -0.284 0.000 2.359 163 S HA -0.150 4.320 4.470 -0.000 0.000 0.222 163 S C 1.932 176.278 174.600 -0.423 0.000 1.038 163 S CA 1.462 59.475 58.200 -0.312 0.000 1.051 163 S CB -0.486 62.541 63.200 -0.289 0.000 0.944 163 S HN 0.256 nan 8.310 nan 0.000 0.433 164 M N 1.828 121.045 119.600 -0.638 0.000 2.089 164 M HA -0.143 4.337 4.480 -0.000 0.000 0.257 164 M C 2.214 178.297 176.300 -0.361 0.000 1.071 164 M CA 1.856 56.798 55.300 -0.596 0.000 1.096 164 M CB -2.160 30.011 32.600 -0.717 0.000 1.330 164 M HN 0.423 nan 8.290 nan 0.000 0.403 165 T N 0.103 114.481 114.554 -0.293 0.000 2.622 165 T HA -0.194 4.156 4.350 -0.000 0.000 0.266 165 T C 1.850 176.431 174.700 -0.197 0.000 1.047 165 T CA 1.588 63.571 62.100 -0.195 0.000 1.159 165 T CB -0.329 68.447 68.868 -0.153 0.000 0.863 165 T HN 0.392 nan 8.240 nan 0.000 0.422 166 K N 0.359 120.624 120.400 -0.224 0.000 2.127 166 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 166 K C 2.211 178.609 176.600 -0.337 0.000 1.047 166 K CA 1.309 57.454 56.287 -0.237 0.000 0.927 166 K CB -0.483 31.877 32.500 -0.233 0.000 0.716 166 K HN 0.238 nan 8.250 nan 0.000 0.450 167 I N 1.131 121.430 120.570 -0.451 0.000 2.179 167 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 167 I C 2.112 178.054 176.117 -0.292 0.000 1.088 167 I CA 1.353 62.281 61.300 -0.620 0.000 1.357 167 I CB -0.287 37.334 38.000 -0.632 0.000 1.051 167 I HN 0.079 nan 8.210 nan 0.000 0.409 168 L N -0.178 120.927 121.223 -0.197 0.000 2.093 168 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 168 L C 2.463 179.387 176.870 0.089 0.000 1.085 168 L CA 1.362 56.194 54.840 -0.013 0.000 0.755 168 L CB -1.076 40.974 42.059 -0.016 0.000 0.904 168 L HN 0.298 nan 8.230 nan 0.000 0.435 169 E N 1.590 121.785 120.200 -0.009 0.000 2.095 169 E HA -0.251 4.099 4.350 -0.000 0.000 0.212 169 E C -0.560 176.060 176.600 0.033 0.000 1.044 169 E CA 2.445 58.842 56.400 -0.005 0.000 0.857 169 E CB -1.787 27.884 29.700 -0.050 0.000 0.764 169 E HN 0.309 nan 8.360 nan 0.000 0.462 170 P HA -0.211 nan 4.420 nan 0.000 0.212 170 P C 1.575 178.938 177.300 0.106 0.000 1.178 170 P CA 1.691 64.824 63.100 0.055 0.000 0.915 170 P CB -0.450 31.274 31.700 0.039 0.000 0.788 171 F N 1.917 121.888 119.950 0.036 0.000 2.063 171 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 171 F C 2.192 178.002 175.800 0.017 0.000 1.105 171 F CA 2.011 60.047 58.000 0.060 0.000 1.215 171 F CB -1.038 38.089 39.000 0.211 0.000 0.972 171 F HN -0.171 nan 8.300 nan 0.000 0.483 172 K N -0.091 120.288 120.400 -0.035 0.000 2.032 172 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 172 K C 2.239 178.750 176.600 -0.149 0.000 1.048 172 K CA 1.729 57.920 56.287 -0.160 0.000 0.927 172 K CB -0.363 32.114 32.500 -0.038 0.000 0.712 172 K HN 0.207 nan 8.250 nan 0.000 0.441 173 K N 0.629 120.982 120.400 -0.078 0.000 2.211 173 K HA -0.113 4.207 4.320 -0.000 0.000 0.203 173 K C 1.717 178.268 176.600 -0.082 0.000 1.050 173 K CA 0.979 57.227 56.287 -0.065 0.000 0.945 173 K CB 0.245 32.725 32.500 -0.034 0.000 0.732 173 K HN 0.132 nan 8.250 nan 0.000 0.451 174 Q N 0.326 120.064 119.800 -0.105 0.000 2.403 174 Q HA -0.015 4.325 4.340 -0.000 0.000 0.203 174 Q C -0.439 175.469 176.000 -0.153 0.000 0.932 174 Q CA 0.548 56.291 55.803 -0.099 0.000 0.945 174 Q CB 0.177 28.883 28.738 -0.054 0.000 1.045 174 Q HN 0.569 nan 8.270 nan 0.000 0.511 175 N N -1.625 116.938 118.700 -0.229 0.000 2.884 175 N HA 0.114 4.854 4.740 -0.000 0.000 0.211 175 N C -2.813 172.557 175.510 -0.232 0.000 1.442 175 N CA -0.842 52.065 53.050 -0.239 0.000 0.757 175 N CB 0.848 39.147 38.487 -0.313 0.000 1.461 175 N HN -0.229 nan 8.380 nan 0.000 0.557 176 P HA 0.077 nan 4.420 nan 0.000 0.232 176 P C -0.768 176.479 177.300 -0.088 0.000 1.738 176 P CA 0.404 63.438 63.100 -0.109 0.000 0.948 176 P CB 0.038 31.695 31.700 -0.072 0.000 1.943 177 D N -0.702 119.632 120.400 -0.111 0.000 2.453 177 D HA 0.068 4.708 4.640 -0.000 0.000 0.256 177 D C 0.141 176.386 176.300 -0.091 0.000 1.152 177 D CA -0.069 53.883 54.000 -0.081 0.000 0.818 177 D CB 0.107 40.865 40.800 -0.070 0.000 1.259 177 D HN 0.161 nan 8.370 nan 0.000 0.531 178 I N 2.301 122.787 120.570 -0.139 0.000 2.312 178 I HA 0.148 4.318 4.170 -0.000 0.000 0.290 178 I C -0.062 175.992 176.117 -0.105 0.000 1.008 178 I CA -0.851 60.361 61.300 -0.146 0.000 1.226 178 I CB 1.978 39.853 38.000 -0.207 0.000 1.371 178 I HN -0.242 nan 8.210 nan 0.000 0.468 179 V N 7.688 127.554 119.914 -0.080 0.000 2.488 179 V HA 0.324 4.444 4.120 -0.000 0.000 0.277 179 V C 0.272 176.346 176.094 -0.034 0.000 1.046 179 V CA -0.209 62.074 62.300 -0.029 0.000 0.986 179 V CB 0.452 32.259 31.823 -0.027 0.000 0.989 179 V HN 0.441 nan 8.190 nan 0.000 0.475 180 I N 5.352 125.971 120.570 0.082 0.000 2.410 180 I HA 0.367 4.536 4.170 -0.000 0.000 0.286 180 I C -1.227 175.106 176.117 0.359 0.000 1.009 180 I CA -0.710 60.668 61.300 0.131 0.000 1.111 180 I CB 1.561 39.623 38.000 0.104 0.000 1.262 180 I HN 0.417 nan 8.210 nan 0.000 0.443 181 Y N 5.216 125.626 120.300 0.182 0.000 2.434 181 Y HA 0.249 4.799 4.550 -0.000 0.000 0.341 181 Y C 0.334 176.373 175.900 0.232 0.000 0.965 181 Y CA -1.338 56.882 58.100 0.201 0.000 1.205 181 Y CB 1.227 39.816 38.460 0.215 0.000 1.121 181 Y HN 0.515 nan 8.280 nan 0.000 0.507 182 Q N 3.001 122.969 119.800 0.280 0.000 2.360 182 Q HA 0.361 4.701 4.340 -0.000 0.000 0.254 182 Q C -1.703 174.424 176.000 0.212 0.000 0.975 182 Q CA -0.756 55.169 55.803 0.204 0.000 0.912 182 Q CB 1.176 29.956 28.738 0.071 0.000 1.212 182 Q HN 0.617 nan 8.270 nan 0.000 0.452 183 Y N 5.097 125.497 120.300 0.167 0.000 2.338 183 Y HA 0.317 4.867 4.550 -0.000 0.000 0.328 183 Y C 0.355 176.324 175.900 0.115 0.000 0.965 183 Y CA -0.777 57.390 58.100 0.112 0.000 1.208 183 Y CB 1.170 39.695 38.460 0.108 0.000 1.132 183 Y HN 1.020 nan 8.280 nan 0.000 0.469 184 M N 3.029 122.389 119.600 -0.400 0.000 7.319 184 M HA -0.396 4.083 4.480 -0.000 0.000 0.292 184 M C 0.518 176.927 176.300 0.180 0.000 0.480 184 M CA 2.954 58.171 55.300 -0.138 0.000 1.311 184 M CB -1.227 31.288 32.600 -0.142 0.000 0.421 184 M HN 0.810 nan 8.290 nan 0.000 0.539 185 D N -0.594 119.930 120.400 0.208 0.000 2.501 185 D HA 0.267 4.907 4.640 -0.000 0.000 0.224 185 D C -0.393 176.030 176.300 0.205 0.000 1.202 185 D CA -0.064 54.096 54.000 0.265 0.000 0.829 185 D CB 0.021 40.895 40.800 0.123 0.000 1.023 185 D HN 0.451 nan 8.370 nan 0.000 0.499 186 D N 1.034 121.574 120.400 0.233 0.000 2.256 186 D HA 0.239 4.879 4.640 -0.000 0.000 0.240 186 D C -0.827 175.640 176.300 0.278 0.000 1.062 186 D CA -0.505 53.650 54.000 0.258 0.000 0.832 186 D CB 1.426 42.422 40.800 0.326 0.000 1.135 186 D HN 0.162 nan 8.370 nan 0.000 0.484 187 L N 5.209 126.548 121.223 0.194 0.000 2.301 187 L HA 0.214 4.554 4.340 -0.000 0.000 0.278 187 L C -0.702 176.209 176.870 0.067 0.000 1.022 187 L CA -1.053 53.874 54.840 0.145 0.000 0.854 187 L CB 0.998 43.095 42.059 0.062 0.000 1.226 187 L HN 0.414 nan 8.230 nan 0.000 0.429 188 Y N 5.489 125.775 120.300 -0.023 0.000 2.316 188 Y HA 0.546 5.096 4.550 -0.000 0.000 0.331 188 Y C -0.513 175.204 175.900 -0.305 0.000 1.083 188 Y CA -0.762 57.128 58.100 -0.350 0.000 1.206 188 Y CB 1.096 39.043 38.460 -0.855 0.000 1.195 188 Y HN 0.226 nan 8.280 nan 0.000 0.497 189 V N 3.307 122.476 119.914 -1.241 0.000 2.789 189 V HA 1.035 5.155 4.120 -0.000 0.000 0.311 189 V C -0.261 175.275 176.094 -0.930 0.000 1.073 189 V CA -0.334 61.452 62.300 -0.858 0.000 0.921 189 V CB 1.318 32.931 31.823 -0.350 0.000 1.009 189 V HN 1.164 nan 8.190 nan 0.000 0.426 190 G N 1.536 110.018 108.800 -0.530 0.000 2.690 190 G HA2 0.871 4.831 3.960 -0.000 0.000 0.293 190 G HA3 0.871 4.831 3.960 -0.000 0.000 0.293 190 G C -0.950 173.946 174.900 -0.006 0.000 1.399 190 G CA -0.255 44.709 45.100 -0.226 0.000 0.890 190 G HN 1.852 nan 8.290 nan 0.000 0.485 191 S N 0.012 115.811 115.700 0.165 0.000 2.602 191 S HA 0.264 4.734 4.470 -0.000 0.000 0.301 191 S C -1.742 172.935 174.600 0.128 0.000 1.091 191 S CA -0.936 57.320 58.200 0.093 0.000 0.895 191 S CB 1.837 65.030 63.200 -0.011 0.000 1.090 191 S HN 0.425 nan 8.310 nan 0.000 0.449 192 D N 2.239 122.671 120.400 0.055 0.000 2.540 192 D HA 0.414 5.054 4.640 -0.000 0.000 0.237 192 D C -0.464 175.872 176.300 0.060 0.000 1.181 192 D CA 0.657 54.685 54.000 0.046 0.000 1.119 192 D CB -0.398 40.416 40.800 0.023 0.000 1.119 192 D HN 0.470 nan 8.370 nan 0.000 0.498 193 L N 0.492 121.776 121.223 0.101 0.000 2.465 193 L HA 0.336 4.676 4.340 -0.000 0.000 0.257 193 L C 0.598 177.521 176.870 0.089 0.000 0.988 193 L CA -1.105 53.793 54.840 0.097 0.000 0.827 193 L CB 1.560 43.689 42.059 0.116 0.000 1.397 193 L HN 0.079 nan 8.230 nan 0.000 0.410 194 E N 1.632 121.870 120.200 0.063 0.000 2.442 194 E HA 0.102 4.452 4.350 -0.000 0.000 0.262 194 E C 1.092 177.733 176.600 0.070 0.000 1.004 194 E CA 0.440 56.869 56.400 0.049 0.000 0.928 194 E CB 0.010 29.733 29.700 0.039 0.000 0.937 194 E HN 0.674 nan 8.360 nan 0.000 0.446 195 I N 0.857 121.451 120.570 0.040 0.000 2.227 195 I HA -0.243 3.927 4.170 -0.000 0.000 0.250 195 I C 2.177 178.350 176.117 0.095 0.000 1.087 195 I CA 2.353 63.683 61.300 0.050 0.000 1.352 195 I CB -0.654 37.361 38.000 0.025 0.000 1.043 195 I HN 0.555 nan 8.210 nan 0.000 0.425 196 G N 0.263 109.105 108.800 0.070 0.000 2.511 196 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.216 196 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.216 196 G C 1.515 176.462 174.900 0.078 0.000 1.218 196 G CA 1.181 46.321 45.100 0.065 0.000 0.788 196 G HN 0.455 nan 8.290 nan 0.000 0.560 197 Q N -0.487 119.358 119.800 0.075 0.000 2.152 197 Q HA -0.139 4.201 4.340 -0.000 0.000 0.206 197 Q C 2.218 178.266 176.000 0.079 0.000 0.985 197 Q CA 1.548 57.389 55.803 0.064 0.000 0.863 197 Q CB -0.514 28.255 28.738 0.052 0.000 0.904 197 Q HN 0.711 nan 8.270 nan 0.000 0.422 198 H N -0.906 118.173 119.070 0.014 0.000 2.267 198 H HA -0.178 4.378 4.556 -0.000 0.000 0.297 198 H C 2.125 177.467 175.328 0.022 0.000 1.080 198 H CA 2.441 58.495 56.048 0.010 0.000 1.278 198 H CB 0.219 29.983 29.762 0.003 0.000 1.365 198 H HN 0.297 nan 8.280 nan 0.000 0.489 199 R N 0.539 121.143 120.500 0.174 0.000 2.113 199 R HA -0.182 4.157 4.340 -0.000 0.000 0.244 199 R C 2.544 178.880 176.300 0.061 0.000 1.142 199 R CA 2.332 58.498 56.100 0.110 0.000 0.953 199 R CB -1.937 28.417 30.300 0.090 0.000 0.860 199 R HN 0.570 nan 8.270 nan 0.000 0.438 200 T N 1.162 115.747 114.554 0.052 0.000 2.597 200 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 200 T C 1.984 176.707 174.700 0.038 0.000 1.053 200 T CA 1.430 63.554 62.100 0.040 0.000 1.165 200 T CB -0.208 68.682 68.868 0.037 0.000 0.863 200 T HN 0.380 nan 8.240 nan 0.000 0.427 201 K N 0.774 121.185 120.400 0.018 0.000 2.044 201 K HA -0.026 4.294 4.320 -0.000 0.000 0.210 201 K C 2.292 178.930 176.600 0.062 0.000 1.049 201 K CA 0.969 57.285 56.287 0.049 0.000 0.927 201 K CB -0.773 31.694 32.500 -0.055 0.000 0.713 201 K HN 0.327 nan 8.250 nan 0.000 0.443 202 I N 1.512 122.074 120.570 -0.014 0.000 2.264 202 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 202 I C 2.661 178.773 176.117 -0.007 0.000 1.111 202 I CA 2.007 63.303 61.300 -0.007 0.000 1.382 202 I CB -1.584 36.433 38.000 0.029 0.000 1.060 202 I HN 0.319 nan 8.210 nan 0.000 0.418 203 E N 0.919 121.126 120.200 0.011 0.000 2.028 203 E HA -0.247 4.103 4.350 -0.000 0.000 0.190 203 E C 2.089 178.680 176.600 -0.015 0.000 0.984 203 E CA 1.204 57.607 56.400 0.005 0.000 0.800 203 E CB -0.914 28.800 29.700 0.022 0.000 0.758 203 E HN 0.615 nan 8.360 nan 0.000 0.448 204 E N -0.482 119.726 120.200 0.012 0.000 2.147 204 E HA -0.218 4.131 4.350 -0.000 0.000 0.199 204 E C 2.083 178.611 176.600 -0.120 0.000 1.005 204 E CA 1.500 57.911 56.400 0.018 0.000 0.810 204 E CB -0.200 29.573 29.700 0.122 0.000 0.736 204 E HN 0.414 nan 8.360 nan 0.000 0.460 205 L N 1.158 122.226 121.223 -0.258 0.000 1.961 205 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 205 L C 2.189 178.868 176.870 -0.318 0.000 1.072 205 L CA 1.899 56.361 54.840 -0.630 0.000 0.749 205 L CB -0.645 41.131 42.059 -0.473 0.000 0.889 205 L HN 0.006 nan 8.230 nan 0.000 0.432 206 R N -0.637 119.766 120.500 -0.162 0.000 2.140 206 R HA -0.264 4.076 4.340 -0.000 0.000 0.250 206 R C 2.242 178.509 176.300 -0.054 0.000 1.150 206 R CA 2.291 58.340 56.100 -0.085 0.000 0.966 206 R CB -0.623 29.658 30.300 -0.032 0.000 0.869 206 R HN 0.633 nan 8.270 nan 0.000 0.445 207 Q N -0.919 118.860 119.800 -0.035 0.000 2.084 207 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 207 Q C 2.141 178.179 176.000 0.065 0.000 0.978 207 Q CA 1.633 57.443 55.803 0.012 0.000 0.844 207 Q CB -0.276 28.472 28.738 0.017 0.000 0.898 207 Q HN 0.462 nan 8.270 nan 0.000 0.426 208 H N 1.056 120.074 119.070 -0.087 0.000 2.326 208 H HA -0.063 4.493 4.556 -0.000 0.000 0.301 208 H C 1.855 177.222 175.328 0.066 0.000 1.081 208 H CA 1.483 57.520 56.048 -0.020 0.000 1.334 208 H CB -0.456 29.213 29.762 -0.155 0.000 1.385 208 H HN 0.116 nan 8.280 nan 0.000 0.504 209 L N -0.327 120.766 121.223 -0.217 0.000 1.956 209 L HA -0.225 4.115 4.340 -0.000 0.000 0.216 209 L C 2.851 179.728 176.870 0.013 0.000 1.073 209 L CA 1.757 56.477 54.840 -0.200 0.000 0.762 209 L CB -0.720 41.240 42.059 -0.165 0.000 0.889 209 L HN 0.280 nan 8.230 nan 0.000 0.433 210 L N -0.245 120.993 121.223 0.025 0.000 2.013 210 L HA -0.310 4.030 4.340 -0.000 0.000 0.212 210 L C 3.220 180.133 176.870 0.071 0.000 1.073 210 L CA 2.244 57.115 54.840 0.052 0.000 0.753 210 L CB -0.484 41.596 42.059 0.034 0.000 0.890 210 L HN 0.248 nan 8.230 nan 0.000 0.432 211 R N -0.889 119.659 120.500 0.080 0.000 2.103 211 R HA -0.281 4.059 4.340 -0.000 0.000 0.242 211 R C 1.690 177.980 176.300 -0.017 0.000 1.142 211 R CA 2.295 58.414 56.100 0.032 0.000 0.960 211 R CB -2.423 27.910 30.300 0.056 0.000 0.858 211 R HN 0.713 nan 8.270 nan 0.000 0.439 212 W N -1.143 120.180 121.300 0.038 0.000 3.077 212 W HA 0.308 4.967 4.660 -0.000 0.000 0.245 212 W C 1.689 178.220 176.519 0.020 0.000 1.316 212 W CA 1.331 58.694 57.345 0.029 0.000 1.537 212 W CB 0.515 29.975 29.460 0.001 0.000 1.131 212 W HN 0.681 nan 8.180 nan 0.000 0.695 213 G N -1.542 107.365 108.800 0.178 0.000 2.253 213 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.209 213 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.209 213 G C -0.158 174.827 174.900 0.141 0.000 0.997 213 G CA -0.541 44.644 45.100 0.142 0.000 0.640 213 G HN -0.066 nan 8.290 nan 0.000 0.496 214 L N 3.733 125.041 121.223 0.143 0.000 2.295 214 L HA 0.396 4.736 4.340 -0.000 0.000 0.288 214 L C 1.778 178.695 176.870 0.078 0.000 1.079 214 L CA 0.758 55.672 54.840 0.123 0.000 0.830 214 L CB -0.390 41.735 42.059 0.109 0.000 1.200 214 L HN 0.540 nan 8.230 nan 0.000 0.438 215 T N 0.705 115.306 114.554 0.078 0.000 2.718 215 T HA 0.179 4.529 4.350 -0.000 0.000 0.377 215 T C 0.431 175.160 174.700 0.047 0.000 1.072 215 T CA -0.117 62.018 62.100 0.057 0.000 1.065 215 T CB 0.370 69.273 68.868 0.058 0.000 1.194 215 T HN 0.595 nan 8.240 nan 0.000 0.517 216 T N 0.703 115.283 114.554 0.043 0.000 3.588 216 T HA 0.382 4.732 4.350 -0.000 0.000 0.253 216 T C -2.928 171.801 174.700 0.050 0.000 0.887 216 T CA -0.892 61.233 62.100 0.042 0.000 1.582 216 T CB 0.476 69.358 68.868 0.024 0.000 0.810 216 T HN 0.491 nan 8.240 nan 0.000 0.598 217 P HA 0.024 nan 4.420 nan 0.000 0.268 217 P C 0.607 177.948 177.300 0.068 0.000 1.189 217 P CA 0.147 63.282 63.100 0.059 0.000 0.771 217 P CB 0.565 32.303 31.700 0.063 0.000 0.822 218 D N 0.654 121.091 120.400 0.062 0.000 2.392 218 D HA -0.104 4.536 4.640 -0.000 0.000 0.228 218 D C 1.114 177.467 176.300 0.089 0.000 1.003 218 D CA 0.704 54.744 54.000 0.067 0.000 0.917 218 D CB -0.103 40.728 40.800 0.052 0.000 0.890 218 D HN 0.098 nan 8.370 nan 0.000 0.532 219 K N 0.964 121.426 120.400 0.104 0.000 2.519 219 K HA -0.080 4.240 4.320 -0.000 0.000 0.196 219 K C 0.066 176.816 176.600 0.249 0.000 1.041 219 K CA 0.268 56.641 56.287 0.144 0.000 0.954 219 K CB -0.336 32.252 32.500 0.146 0.000 0.774 219 K HN 0.324 nan 8.250 nan 0.000 0.480 220 K N 1.820 122.341 120.400 0.202 0.000 2.440 220 K HA -0.072 4.248 4.320 -0.000 0.000 0.275 220 K C -0.872 175.926 176.600 0.330 0.000 1.082 220 K CA 0.128 56.554 56.287 0.231 0.000 1.135 220 K CB -0.208 32.373 32.500 0.135 0.000 0.864 220 K HN 0.066 nan 8.250 nan 0.000 0.479 221 H N 2.471 121.636 119.070 0.158 0.000 3.091 221 H HA 0.023 4.579 4.556 -0.000 0.000 0.289 221 H C 1.342 176.795 175.328 0.208 0.000 0.995 221 H CA 0.793 56.962 56.048 0.202 0.000 1.461 221 H CB 0.884 30.857 29.762 0.351 0.000 1.510 221 H HN 0.861 nan 8.280 nan 0.000 0.546 222 Q N 2.834 122.762 119.800 0.214 0.000 2.387 222 Q HA 0.148 4.488 4.340 -0.000 0.000 0.212 222 Q C 1.484 177.526 176.000 0.069 0.000 0.925 222 Q CA 0.770 56.662 55.803 0.149 0.000 0.901 222 Q CB -0.546 28.245 28.738 0.088 0.000 1.020 222 Q HN 0.771 nan 8.270 nan 0.000 0.545 223 K N 2.702 123.084 120.400 -0.030 0.000 2.366 223 K HA 0.006 4.325 4.320 -0.000 0.000 0.272 223 K C 0.801 177.175 176.600 -0.377 0.000 1.151 223 K CA 0.508 56.706 56.287 -0.148 0.000 1.173 223 K CB -0.475 31.932 32.500 -0.155 0.000 0.853 223 K HN 0.579 nan 8.250 nan 0.000 0.473 224 E N 3.285 123.344 120.200 -0.236 0.000 2.023 224 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 224 E C -0.858 175.486 176.600 -0.426 0.000 1.003 224 E CA 1.867 58.123 56.400 -0.240 0.000 0.809 224 E CB -0.785 28.902 29.700 -0.022 0.000 0.755 224 E HN 0.569 nan 8.360 nan 0.000 0.449 225 P HA -0.067 nan 4.420 nan 0.000 0.216 225 P C -2.205 175.039 177.300 -0.092 0.000 1.153 225 P CA 1.811 64.866 63.100 -0.076 0.000 0.858 225 P CB -0.683 31.003 31.700 -0.024 0.000 0.789 226 P HA 0.341 nan 4.420 nan 0.000 0.313 226 P C -1.335 175.732 177.300 -0.389 0.000 1.480 226 P CA -0.727 62.249 63.100 -0.206 0.000 1.132 226 P CB 1.754 33.440 31.700 -0.022 0.000 1.346 227 F N 1.977 122.033 119.950 0.176 0.000 2.518 227 F HA 0.352 4.879 4.527 -0.000 0.000 0.323 227 F C 0.230 176.245 175.800 0.358 0.000 1.129 227 F CA -1.000 57.189 58.000 0.315 0.000 0.920 227 F CB 2.113 41.263 39.000 0.249 0.000 1.160 227 F HN 0.068 nan 8.300 nan 0.000 0.440 228 L N 4.543 126.182 121.223 0.693 0.000 2.282 228 L HA 0.326 4.666 4.340 -0.000 0.000 0.287 228 L C -1.813 175.387 176.870 0.551 0.000 1.075 228 L CA -0.132 55.019 54.840 0.518 0.000 0.839 228 L CB 0.336 42.639 42.059 0.407 0.000 1.219 228 L HN 0.939 nan 8.230 nan 0.000 0.434 229 W N 7.947 129.387 121.300 0.234 0.000 2.900 229 W HA 0.376 5.035 4.660 -0.000 0.000 0.336 229 W C 0.117 176.724 176.519 0.147 0.000 1.064 229 W CA -0.761 56.669 57.345 0.142 0.000 1.237 229 W CB 1.047 30.567 29.460 0.099 0.000 1.391 229 W HN 0.510 nan 8.180 nan 0.000 0.468 230 M N 5.541 124.867 119.600 -0.457 0.000 2.612 230 M HA -0.282 4.198 4.480 -0.000 0.000 0.194 230 M C 1.234 177.464 176.300 -0.116 0.000 0.530 230 M CA 2.064 57.039 55.300 -0.540 0.000 0.548 230 M CB -1.998 29.868 32.600 -1.223 0.000 2.013 230 M HN 1.511 nan 8.290 nan 0.000 0.711 231 G N -1.795 106.997 108.800 -0.014 0.000 2.299 231 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.237 231 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.237 231 G C -0.146 174.761 174.900 0.010 0.000 1.027 231 G CA 0.415 45.503 45.100 -0.021 0.000 0.619 231 G HN 0.527 nan 8.290 nan 0.000 0.513 232 Y N 1.307 121.629 120.300 0.036 0.000 2.326 232 Y HA 0.540 5.090 4.550 -0.000 0.000 0.333 232 Y C 0.898 176.931 175.900 0.221 0.000 1.240 232 Y CA -0.211 57.971 58.100 0.137 0.000 1.365 232 Y CB 0.694 39.176 38.460 0.037 0.000 1.289 232 Y HN 0.232 nan 8.280 nan 0.000 0.548 233 E N 2.887 123.314 120.200 0.379 0.000 2.055 233 E HA 0.323 4.673 4.350 -0.000 0.000 0.274 233 E C -1.499 175.214 176.600 0.187 0.000 0.949 233 E CA -0.349 56.170 56.400 0.199 0.000 0.775 233 E CB 0.307 30.032 29.700 0.042 0.000 1.097 233 E HN 0.585 nan 8.360 nan 0.000 0.404 234 L N 5.268 126.658 121.223 0.279 0.000 2.260 234 L HA 0.329 4.669 4.340 -0.000 0.000 0.289 234 L C -0.035 177.025 176.870 0.317 0.000 1.057 234 L CA -0.250 54.838 54.840 0.415 0.000 0.811 234 L CB 0.589 42.939 42.059 0.486 0.000 1.184 234 L HN 0.670 nan 8.230 nan 0.000 0.429 235 H N 3.542 122.902 119.070 0.483 0.000 2.649 235 H HA 0.283 4.839 4.556 -0.000 0.000 0.337 235 H C -1.654 173.887 175.328 0.356 0.000 1.282 235 H CA -1.773 54.451 56.048 0.294 0.000 1.333 235 H CB 0.984 30.823 29.762 0.129 0.000 1.787 235 H HN 0.325 nan 8.280 nan 0.000 0.632 236 P HA -0.062 nan 4.420 nan 0.000 0.234 236 P C -0.078 177.385 177.300 0.273 0.000 1.167 236 P CA 1.510 64.784 63.100 0.289 0.000 0.763 236 P CB 0.423 32.215 31.700 0.153 0.000 0.835 237 D N -3.704 116.804 120.400 0.179 0.000 2.557 237 D HA 0.202 4.842 4.640 -0.000 0.000 0.317 237 D C 0.092 176.223 176.300 -0.282 0.000 1.403 237 D CA 0.257 54.241 54.000 -0.026 0.000 0.886 237 D CB 0.310 41.109 40.800 -0.002 0.000 1.363 237 D HN -0.064 nan 8.370 nan 0.000 0.458 238 K N 0.435 120.713 120.400 -0.204 0.000 2.607 238 K HA 0.691 5.011 4.320 -0.000 0.000 0.287 238 K C -1.772 174.936 176.600 0.180 0.000 0.996 238 K CA -0.808 55.370 56.287 -0.183 0.000 0.876 238 K CB 1.088 33.482 32.500 -0.175 0.000 1.496 238 K HN 0.225 nan 8.250 nan 0.000 0.415 239 W N 0.713 122.097 121.300 0.141 0.000 2.962 239 W HA 0.860 5.520 4.660 -0.000 0.000 0.341 239 W C -0.725 175.930 176.519 0.227 0.000 1.155 239 W CA -0.705 56.786 57.345 0.243 0.000 1.165 239 W CB 0.992 30.671 29.460 0.365 0.000 1.435 239 W HN 0.872 nan 8.180 nan 0.000 0.546 240 T N 0.395 115.253 114.554 0.507 0.000 2.648 240 T HA 0.477 4.826 4.350 -0.000 0.000 0.304 240 T C -0.811 174.097 174.700 0.347 0.000 1.312 240 T CA -0.553 61.728 62.100 0.301 0.000 1.023 240 T CB 1.519 70.481 68.868 0.156 0.000 1.612 240 T HN 0.757 nan 8.240 nan 0.000 0.487 241 V N -0.966 119.067 119.914 0.198 0.000 2.811 241 V HA 0.654 4.773 4.120 -0.000 0.000 0.266 241 V C 1.232 177.413 176.094 0.145 0.000 0.872 241 V CA -0.088 62.298 62.300 0.144 0.000 0.992 241 V CB -0.332 31.553 31.823 0.103 0.000 1.016 241 V HN 1.028 nan 8.190 nan 0.000 0.496 242 Q N 2.813 122.691 119.800 0.131 0.000 2.197 242 Q HA -0.075 4.265 4.340 -0.000 0.000 0.207 242 Q C 0.025 176.089 176.000 0.107 0.000 0.984 242 Q CA 2.392 58.268 55.803 0.122 0.000 0.869 242 Q CB -1.943 26.858 28.738 0.104 0.000 0.906 242 Q HN 0.832 nan 8.270 nan 0.000 0.426 243 P HA 0.237 nan 4.420 nan 0.000 0.277 243 P C -0.081 177.260 177.300 0.068 0.000 1.617 243 P CA 0.630 63.765 63.100 0.058 0.000 0.829 243 P CB -1.253 30.463 31.700 0.028 0.000 1.774 244 I N -0.524 120.109 120.570 0.105 0.000 3.585 244 I HA 0.412 4.582 4.170 -0.000 0.000 0.325 244 I C 0.931 177.079 176.117 0.052 0.000 1.370 244 I CA -0.847 60.520 61.300 0.112 0.000 1.298 244 I CB -0.764 37.351 38.000 0.191 0.000 1.387 244 I HN 0.073 nan 8.210 nan 0.000 0.466 245 V N 1.442 121.374 119.914 0.030 0.000 2.470 245 V HA 0.787 4.907 4.120 -0.000 0.000 0.276 245 V C 0.324 176.416 176.094 -0.003 0.000 1.040 245 V CA 0.424 62.730 62.300 0.010 0.000 1.008 245 V CB 0.474 32.301 31.823 0.006 0.000 0.990 245 V HN 1.414 nan 8.190 nan 0.000 0.477 246 L N 4.077 125.294 121.223 -0.009 0.000 2.335 246 L HA 1.075 5.415 4.340 -0.000 0.000 0.268 246 L C -0.861 176.000 176.870 -0.015 0.000 1.016 246 L CA -0.972 53.859 54.840 -0.015 0.000 0.805 246 L CB 0.737 42.782 42.059 -0.023 0.000 1.311 246 L HN 1.004 nan 8.230 nan 0.000 0.456 247 P HA 0.615 nan 4.420 nan 0.000 0.199 247 P C 0.323 177.614 177.300 -0.015 0.000 1.855 247 P CA 0.861 63.951 63.100 -0.015 0.000 1.268 247 P CB 0.356 32.047 31.700 -0.016 0.000 1.630 248 E N 1.065 121.256 120.200 -0.015 0.000 2.049 248 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 248 E C 2.218 178.810 176.600 -0.013 0.000 1.007 248 E CA 2.645 59.036 56.400 -0.015 0.000 0.809 248 E CB -1.026 28.665 29.700 -0.015 0.000 0.749 248 E HN 0.706 nan 8.360 nan 0.000 0.450 249 K N 0.011 120.404 120.400 -0.011 0.000 2.001 249 K HA -0.016 4.304 4.320 -0.000 0.000 0.208 249 K C 2.362 178.955 176.600 -0.010 0.000 1.048 249 K CA 2.113 58.394 56.287 -0.010 0.000 0.932 249 K CB -1.756 30.738 32.500 -0.009 0.000 0.715 249 K HN 0.748 nan 8.250 nan 0.000 0.437 250 D N 0.116 120.510 120.400 -0.011 0.000 2.309 250 D HA 0.088 4.728 4.640 -0.000 0.000 0.212 250 D C 2.068 178.362 176.300 -0.011 0.000 0.968 250 D CA 1.484 55.478 54.000 -0.011 0.000 0.882 250 D CB -0.880 39.912 40.800 -0.013 0.000 0.918 250 D HN 0.773 nan 8.370 nan 0.000 0.503 251 S N -1.782 113.911 115.700 -0.011 0.000 2.977 251 S HA 0.289 4.759 4.470 -0.000 0.000 0.241 251 S C 1.674 176.269 174.600 -0.009 0.000 0.994 251 S CA 1.231 59.425 58.200 -0.011 0.000 1.054 251 S CB -1.755 61.438 63.200 -0.012 0.000 0.818 251 S HN 0.977 nan 8.310 nan 0.000 0.534 252 W N 0.218 121.512 121.300 -0.009 0.000 2.574 252 W HA 0.513 5.173 4.660 -0.000 0.000 0.282 252 W C 1.287 177.802 176.519 -0.007 0.000 1.197 252 W CA 0.632 57.973 57.345 -0.008 0.000 1.376 252 W CB -1.002 28.454 29.460 -0.007 0.000 1.091 252 W HN 0.620 nan 8.180 nan 0.000 0.569 253 T N 0.845 115.395 114.554 -0.008 0.000 2.899 253 T HA 0.397 4.747 4.350 -0.000 0.000 0.295 253 T C 1.575 176.271 174.700 -0.007 0.000 1.033 253 T CA 1.047 63.143 62.100 -0.007 0.000 1.084 253 T CB 0.675 69.538 68.868 -0.008 0.000 0.979 253 T HN 1.089 nan 8.240 nan 0.000 0.532 254 V N 1.065 120.975 119.914 -0.006 0.000 2.252 254 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 254 V C 2.116 178.206 176.094 -0.007 0.000 1.056 254 V CA 2.422 64.718 62.300 -0.006 0.000 1.022 254 V CB -1.303 30.518 31.823 -0.005 0.000 0.641 254 V HN 0.836 nan 8.190 nan 0.000 0.445 255 N N 1.236 119.932 118.700 -0.008 0.000 2.205 255 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 255 N C 1.376 176.879 175.510 -0.011 0.000 1.015 255 N CA 1.818 54.862 53.050 -0.010 0.000 0.862 255 N CB -0.587 37.894 38.487 -0.011 0.000 0.986 255 N HN 0.681 nan 8.380 nan 0.000 0.429 256 D N 0.031 120.424 120.400 -0.011 0.000 2.183 256 D HA -0.007 4.633 4.640 -0.000 0.000 0.203 256 D C 1.691 177.985 176.300 -0.010 0.000 0.969 256 D CA 0.412 54.404 54.000 -0.012 0.000 0.842 256 D CB 0.043 40.836 40.800 -0.012 0.000 0.957 256 D HN 0.108 nan 8.370 nan 0.000 0.484 257 I N 1.194 121.760 120.570 -0.008 0.000 2.091 257 I HA -0.321 3.849 4.170 -0.000 0.000 0.239 257 I C 2.216 178.330 176.117 -0.005 0.000 1.061 257 I CA 1.617 62.914 61.300 -0.006 0.000 1.317 257 I CB -1.091 36.907 38.000 -0.004 0.000 1.031 257 I HN 0.189 nan 8.210 nan 0.000 0.401 258 Q N 0.383 120.180 119.800 -0.005 0.000 2.112 258 Q HA -0.253 4.087 4.340 -0.000 0.000 0.206 258 Q C 2.225 178.221 176.000 -0.006 0.000 0.987 258 Q CA 1.754 57.554 55.803 -0.004 0.000 0.858 258 Q CB -0.196 28.538 28.738 -0.007 0.000 0.905 258 Q HN 0.490 nan 8.270 nan 0.000 0.420 259 K N 0.285 120.679 120.400 -0.011 0.000 1.988 259 K HA -0.228 4.092 4.320 -0.000 0.000 0.221 259 K C 2.077 178.671 176.600 -0.010 0.000 1.053 259 K CA 1.529 57.806 56.287 -0.016 0.000 0.959 259 K CB -0.477 32.012 32.500 -0.019 0.000 0.728 259 K HN 0.074 nan 8.250 nan 0.000 0.447 260 L N 1.379 122.598 121.223 -0.008 0.000 1.990 260 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 260 L C 2.218 179.093 176.870 0.008 0.000 1.072 260 L CA 1.501 56.339 54.840 -0.003 0.000 0.755 260 L CB -0.606 41.449 42.059 -0.007 0.000 0.889 260 L HN 0.039 nan 8.230 nan 0.000 0.432 261 V N 0.065 119.984 119.914 0.009 0.000 2.233 261 V HA -0.373 3.747 4.120 -0.000 0.000 0.252 261 V C 2.558 178.673 176.094 0.036 0.000 1.063 261 V CA 2.186 64.498 62.300 0.019 0.000 1.032 261 V CB -1.654 30.178 31.823 0.014 0.000 0.645 261 V HN 0.682 nan 8.190 nan 0.000 0.446 262 G N -0.532 108.286 108.800 0.030 0.000 2.545 262 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 262 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 262 G C 1.561 176.508 174.900 0.077 0.000 1.218 262 G CA 1.153 46.280 45.100 0.046 0.000 0.787 262 G HN 0.471 nan 8.290 nan 0.000 0.571 263 K N 0.185 120.611 120.400 0.044 0.000 2.052 263 K HA -0.176 4.144 4.320 -0.000 0.000 0.215 263 K C 2.583 179.263 176.600 0.135 0.000 1.053 263 K CA 1.559 57.885 56.287 0.066 0.000 0.934 263 K CB -0.657 31.857 32.500 0.023 0.000 0.717 263 K HN 0.348 nan 8.250 nan 0.000 0.450 264 L N 1.229 122.503 121.223 0.086 0.000 1.956 264 L HA -0.266 4.073 4.340 -0.000 0.000 0.216 264 L C 2.318 179.271 176.870 0.137 0.000 1.073 264 L CA 1.317 56.206 54.840 0.081 0.000 0.762 264 L CB -0.867 41.215 42.059 0.038 0.000 0.889 264 L HN 0.231 nan 8.230 nan 0.000 0.433 265 N N -0.392 118.389 118.700 0.134 0.000 2.073 265 N HA -0.304 4.436 4.740 -0.000 0.000 0.199 265 N C 1.527 177.170 175.510 0.222 0.000 1.023 265 N CA 2.005 55.147 53.050 0.153 0.000 0.880 265 N CB -0.474 38.101 38.487 0.146 0.000 1.052 265 N HN 0.526 nan 8.380 nan 0.000 0.449 266 W N 1.757 123.096 121.300 0.066 0.000 2.332 266 W HA -0.206 4.454 4.660 -0.000 0.000 0.321 266 W C 2.246 178.848 176.519 0.138 0.000 1.219 266 W CA 2.014 59.409 57.345 0.084 0.000 1.277 266 W CB -0.518 28.967 29.460 0.041 0.000 1.161 266 W HN 0.106 nan 8.180 nan 0.000 0.476 267 A N 0.845 123.876 122.820 0.352 0.000 2.009 267 A HA -0.304 4.016 4.320 -0.000 0.000 0.222 267 A C 1.936 179.707 177.584 0.313 0.000 1.175 267 A CA 2.602 54.864 52.037 0.374 0.000 0.651 267 A CB -1.291 17.883 19.000 0.290 0.000 0.815 267 A HN 0.380 nan 8.150 nan 0.000 0.459 268 S N -0.238 115.571 115.700 0.182 0.000 2.441 268 S HA -0.300 4.170 4.470 -0.000 0.000 0.242 268 S C 1.853 176.504 174.600 0.084 0.000 1.018 268 S CA 1.494 59.765 58.200 0.118 0.000 0.988 268 S CB -0.456 62.784 63.200 0.066 0.000 0.778 268 S HN 0.747 nan 8.310 nan 0.000 0.498 269 Q N 0.221 120.053 119.800 0.054 0.000 2.118 269 Q HA -0.216 4.124 4.340 -0.000 0.000 0.211 269 Q C 2.018 178.127 176.000 0.183 0.000 0.998 269 Q CA 1.969 57.853 55.803 0.136 0.000 0.872 269 Q CB -0.415 28.388 28.738 0.109 0.000 0.925 269 Q HN 0.816 nan 8.270 nan 0.000 0.414 270 I N -6.135 114.442 120.570 0.012 0.000 4.774 270 I HA 0.126 4.296 4.170 -0.000 0.000 0.330 270 I C -0.231 175.766 176.117 -0.200 0.000 1.287 270 I CA -0.532 60.670 61.300 -0.164 0.000 1.311 270 I CB 0.237 37.986 38.000 -0.419 0.000 1.315 270 I HN -0.173 nan 8.210 nan 0.000 0.459 271 Y N 4.711 124.996 120.300 -0.024 0.000 2.587 271 Y HA 0.355 4.905 4.550 -0.000 0.000 0.344 271 Y C -1.927 173.952 175.900 -0.036 0.000 1.061 271 Y CA -2.302 55.778 58.100 -0.033 0.000 1.370 271 Y CB -0.514 37.942 38.460 -0.007 0.000 1.163 271 Y HN -0.050 nan 8.280 nan 0.000 0.527 272 P HA -0.110 nan 4.420 nan 0.000 0.275 272 P C 0.261 177.580 177.300 0.031 0.000 1.271 272 P CA 0.120 63.238 63.100 0.029 0.000 0.861 272 P CB 0.516 32.220 31.700 0.008 0.000 1.071 273 G N 0.309 109.114 108.800 0.008 0.000 2.109 273 G HA2 0.184 4.144 3.960 -0.000 0.000 0.249 273 G HA3 0.184 4.144 3.960 -0.000 0.000 0.249 273 G C -0.516 174.392 174.900 0.012 0.000 1.126 273 G CA 0.111 45.214 45.100 0.005 0.000 0.923 273 G HN 0.260 nan 8.290 nan 0.000 0.439 274 I N 1.501 122.079 120.570 0.013 0.000 2.569 274 I HA 0.429 4.599 4.170 -0.000 0.000 0.290 274 I C 0.367 176.492 176.117 0.014 0.000 1.088 274 I CA -1.329 59.977 61.300 0.011 0.000 1.047 274 I CB 1.515 39.524 38.000 0.014 0.000 1.237 274 I HN 0.539 nan 8.210 nan 0.000 0.421 275 K N 4.906 125.310 120.400 0.007 0.000 2.265 275 K HA 0.456 4.776 4.320 -0.000 0.000 0.242 275 K C 0.811 177.416 176.600 0.008 0.000 1.137 275 K CA -0.316 55.977 56.287 0.009 0.000 1.082 275 K CB -0.355 32.144 32.500 -0.002 0.000 1.731 275 K HN 0.521 nan 8.250 nan 0.000 0.392 276 V N 1.067 120.990 119.914 0.015 0.000 2.546 276 V HA -0.306 3.814 4.120 -0.000 0.000 0.254 276 V C 2.575 178.675 176.094 0.010 0.000 1.076 276 V CA 2.162 64.470 62.300 0.014 0.000 1.087 276 V CB -0.740 31.098 31.823 0.024 0.000 0.674 276 V HN 0.917 nan 8.190 nan 0.000 0.470 277 R N 0.418 120.924 120.500 0.010 0.000 2.204 277 R HA -0.320 4.020 4.340 -0.000 0.000 0.253 277 R C 2.461 178.763 176.300 0.003 0.000 1.172 277 R CA 2.370 58.474 56.100 0.007 0.000 0.994 277 R CB -0.457 29.848 30.300 0.008 0.000 0.874 277 R HN 0.675 nan 8.270 nan 0.000 0.462 278 Q N 0.562 120.362 119.800 0.001 0.000 1.998 278 Q HA -0.209 4.131 4.340 -0.000 0.000 0.209 278 Q C 2.187 178.186 176.000 -0.001 0.000 1.002 278 Q CA 2.143 57.945 55.803 -0.002 0.000 0.858 278 Q CB -0.936 27.799 28.738 -0.005 0.000 0.932 278 Q HN 0.577 nan 8.270 nan 0.000 0.416 279 L N 0.138 121.360 121.223 -0.001 0.000 2.179 279 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 279 L C 2.871 179.741 176.870 0.001 0.000 1.096 279 L CA 0.998 55.838 54.840 -0.001 0.000 0.779 279 L CB -0.174 41.884 42.059 -0.002 0.000 0.922 279 L HN 0.376 nan 8.230 nan 0.000 0.443 280 S N 0.450 116.152 115.700 0.003 0.000 2.365 280 S HA -0.291 4.179 4.470 -0.000 0.000 0.225 280 S C 2.482 177.083 174.600 0.003 0.000 1.039 280 S CA 2.093 60.295 58.200 0.004 0.000 1.033 280 S CB -0.445 62.758 63.200 0.006 0.000 0.887 280 S HN 0.535 nan 8.310 nan 0.000 0.447 281 K N 1.129 121.530 120.400 0.002 0.000 2.211 281 K HA 0.110 4.430 4.320 -0.000 0.000 0.204 281 K C 2.323 178.924 176.600 0.001 0.000 1.047 281 K CA 1.591 57.880 56.287 0.002 0.000 0.935 281 K CB -1.965 30.536 32.500 0.002 0.000 0.728 281 K HN 0.470 nan 8.250 nan 0.000 0.452 282 L N 0.233 121.456 121.223 0.001 0.000 2.027 282 L HA 0.318 4.658 4.340 -0.000 0.000 0.206 282 L C 3.330 180.199 176.870 -0.000 0.000 1.074 282 L CA 2.583 57.423 54.840 -0.000 0.000 0.745 282 L CB -1.883 40.175 42.059 -0.001 0.000 0.898 282 L HN 0.724 nan 8.230 nan 0.000 0.433 283 L N 0.126 121.349 121.223 -0.000 0.000 2.083 283 L HA 0.329 4.668 4.340 -0.000 0.000 0.209 283 L C 2.375 179.245 176.870 0.000 0.000 1.083 283 L CA 2.275 57.115 54.840 -0.000 0.000 0.752 283 L CB -2.328 39.731 42.059 0.000 0.000 0.899 283 L HN 1.007 nan 8.230 nan 0.000 0.433 284 R N -0.633 119.868 120.500 0.001 0.000 2.679 284 R HA 0.445 4.785 4.340 -0.000 0.000 0.268 284 R C 1.988 178.289 176.300 0.002 0.000 1.044 284 R CA 0.773 56.874 56.100 0.001 0.000 1.105 284 R CB -1.199 29.102 30.300 0.002 0.000 0.989 284 R HN 2.268 nan 8.270 nan 0.000 0.447 285 G N -0.942 107.859 108.800 0.002 0.000 2.609 285 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.235 285 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.235 285 G C 1.174 176.075 174.900 0.002 0.000 1.177 285 G CA 1.169 46.270 45.100 0.002 0.000 0.707 285 G HN 2.143 nan 8.290 nan 0.000 0.513 286 T N 0.037 114.591 114.554 0.001 0.000 2.946 286 T HA 0.654 5.004 4.350 -0.000 0.000 0.311 286 T C 1.224 175.924 174.700 -0.000 0.000 1.063 286 T CA 2.615 64.715 62.100 0.000 0.000 1.139 286 T CB 0.289 69.157 68.868 -0.001 0.000 0.994 286 T HN 1.768 nan 8.240 nan 0.000 0.547 287 K N 0.717 121.117 120.400 -0.000 0.000 2.567 287 K HA 0.802 5.122 4.320 -0.000 0.000 0.199 287 K C 1.326 177.925 176.600 -0.001 0.000 1.412 287 K CA 0.855 57.141 56.287 -0.000 0.000 1.020 287 K CB -0.497 32.004 32.500 0.001 0.000 1.487 287 K HN 1.499 nan 8.250 nan 0.000 0.531 288 A N 1.541 124.360 122.820 -0.001 0.000 2.541 288 A HA 0.538 4.858 4.320 -0.000 0.000 0.293 288 A C 0.901 178.483 177.584 -0.003 0.000 1.307 288 A CA 0.386 52.422 52.037 -0.002 0.000 0.978 288 A CB -1.636 17.363 19.000 -0.002 0.000 1.111 288 A HN 1.411 nan 8.150 nan 0.000 0.535 289 L N 2.509 123.730 121.223 -0.004 0.000 2.436 289 L HA 0.587 4.927 4.340 -0.000 0.000 0.244 289 L C 1.161 178.028 176.870 -0.006 0.000 1.396 289 L CA 1.444 56.281 54.840 -0.005 0.000 1.217 289 L CB -1.831 40.224 42.059 -0.005 0.000 1.420 289 L HN 1.405 nan 8.230 nan 0.000 0.434 290 T N -2.080 112.471 114.554 -0.005 0.000 3.828 290 T HA 0.476 4.826 4.350 -0.000 0.000 0.248 290 T C 1.028 175.725 174.700 -0.006 0.000 0.799 290 T CA 1.331 63.427 62.100 -0.006 0.000 1.125 290 T CB -0.477 68.388 68.868 -0.006 0.000 0.942 290 T HN 1.577 nan 8.240 nan 0.000 0.382 291 E N 0.371 120.568 120.200 -0.005 0.000 2.494 291 E HA 0.641 4.991 4.350 -0.000 0.000 0.262 291 E C 0.624 177.221 176.600 -0.005 0.000 1.294 291 E CA 0.309 56.706 56.400 -0.004 0.000 1.062 291 E CB -0.830 28.868 29.700 -0.003 0.000 0.982 291 E HN 1.873 nan 8.360 nan 0.000 0.495 292 V N -1.551 118.360 119.914 -0.004 0.000 2.975 292 V HA 0.831 4.951 4.120 -0.000 0.000 0.318 292 V C 0.586 176.677 176.094 -0.004 0.000 1.077 292 V CA -0.228 62.069 62.300 -0.004 0.000 1.000 292 V CB 1.478 33.298 31.823 -0.005 0.000 1.066 292 V HN 1.585 nan 8.190 nan 0.000 0.452 293 I N 1.446 122.014 120.570 -0.004 0.000 2.436 293 I HA 0.824 4.994 4.170 -0.000 0.000 0.289 293 I C -0.765 175.350 176.117 -0.003 0.000 1.010 293 I CA -1.088 60.210 61.300 -0.003 0.000 1.098 293 I CB 0.966 38.964 38.000 -0.003 0.000 1.266 293 I HN 0.880 nan 8.210 nan 0.000 0.434 294 P HA 0.249 nan 4.420 nan 0.000 0.225 294 P C 1.802 179.101 177.300 -0.003 0.000 1.156 294 P CA 2.275 65.374 63.100 -0.003 0.000 0.787 294 P CB -0.165 31.534 31.700 -0.002 0.000 0.802 295 L N -1.679 119.543 121.223 -0.002 0.000 2.369 295 L HA -0.067 4.273 4.340 -0.000 0.000 0.220 295 L C 2.709 179.578 176.870 -0.003 0.000 1.119 295 L CA 3.572 58.411 54.840 -0.002 0.000 0.780 295 L CB -2.532 39.526 42.059 -0.002 0.000 0.906 295 L HN 0.465 nan 8.230 nan 0.000 0.442 296 T N -1.127 113.425 114.554 -0.004 0.000 2.836 296 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 296 T C 2.061 176.757 174.700 -0.005 0.000 1.080 296 T CA 3.735 65.832 62.100 -0.005 0.000 1.128 296 T CB -0.800 68.064 68.868 -0.006 0.000 0.839 296 T HN 1.100 nan 8.240 nan 0.000 0.507 297 E N 0.703 120.901 120.200 -0.005 0.000 2.070 297 E HA -0.031 4.319 4.350 -0.000 0.000 0.197 297 E C 2.222 178.819 176.600 -0.005 0.000 1.004 297 E CA 2.472 58.869 56.400 -0.004 0.000 0.805 297 E CB -1.620 28.078 29.700 -0.003 0.000 0.744 297 E HN 0.949 nan 8.360 nan 0.000 0.451 298 E N 0.253 120.450 120.200 -0.004 0.000 2.077 298 E HA 0.169 4.519 4.350 -0.000 0.000 0.193 298 E C 2.556 179.153 176.600 -0.006 0.000 0.989 298 E CA 2.010 58.408 56.400 -0.005 0.000 0.800 298 E CB -0.990 28.708 29.700 -0.003 0.000 0.746 298 E HN 0.967 nan 8.360 nan 0.000 0.452 299 A N 0.823 123.639 122.820 -0.006 0.000 1.908 299 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 299 A C 2.579 180.157 177.584 -0.010 0.000 1.181 299 A CA 3.062 55.094 52.037 -0.008 0.000 0.627 299 A CB -1.156 17.839 19.000 -0.008 0.000 0.818 299 A HN 0.841 nan 8.150 nan 0.000 0.445 300 E N -1.127 119.068 120.200 -0.009 0.000 2.253 300 E HA -0.046 4.304 4.350 -0.000 0.000 0.202 300 E C 2.087 178.681 176.600 -0.010 0.000 1.014 300 E CA 2.818 59.213 56.400 -0.009 0.000 0.823 300 E CB -1.537 28.159 29.700 -0.008 0.000 0.736 300 E HN 1.361 nan 8.360 nan 0.000 0.478 301 L N -0.671 120.547 121.223 -0.009 0.000 2.189 301 L HA 0.521 4.861 4.340 -0.000 0.000 0.199 301 L C 2.715 179.579 176.870 -0.010 0.000 1.074 301 L CA 2.050 56.884 54.840 -0.009 0.000 0.783 301 L CB -1.489 40.566 42.059 -0.007 0.000 0.955 301 L HN 0.678 nan 8.230 nan 0.000 0.460 302 E N -0.024 120.170 120.200 -0.010 0.000 1.999 302 E HA 0.065 4.415 4.350 -0.000 0.000 0.194 302 E C 2.574 179.165 176.600 -0.014 0.000 0.995 302 E CA 2.824 59.218 56.400 -0.011 0.000 0.825 302 E CB -1.504 28.190 29.700 -0.009 0.000 0.777 302 E HN 1.579 nan 8.360 nan 0.000 0.459 303 L N 0.950 122.165 121.223 -0.015 0.000 2.151 303 L HA 0.093 4.433 4.340 -0.000 0.000 0.215 303 L C 3.099 179.955 176.870 -0.024 0.000 1.084 303 L CA 3.625 58.453 54.840 -0.019 0.000 0.764 303 L CB -2.077 39.971 42.059 -0.018 0.000 0.891 303 L HN 0.885 nan 8.230 nan 0.000 0.435 304 A N -0.532 122.275 122.820 -0.020 0.000 1.915 304 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 304 A C 2.499 180.068 177.584 -0.025 0.000 1.198 304 A CA 3.704 55.728 52.037 -0.021 0.000 0.647 304 A CB -1.195 17.795 19.000 -0.016 0.000 0.825 304 A HN 1.210 nan 8.150 nan 0.000 0.456 305 E N -1.027 119.160 120.200 -0.023 0.000 2.031 305 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 305 E C 2.052 178.631 176.600 -0.035 0.000 0.994 305 E CA 2.361 58.747 56.400 -0.024 0.000 0.800 305 E CB -2.052 27.637 29.700 -0.018 0.000 0.752 305 E HN 1.035 nan 8.360 nan 0.000 0.447 306 N N 0.602 119.279 118.700 -0.038 0.000 2.061 306 N HA -0.234 4.506 4.740 -0.000 0.000 0.193 306 N C 2.473 177.930 175.510 -0.090 0.000 1.030 306 N CA 4.023 57.039 53.050 -0.057 0.000 0.856 306 N CB -1.249 37.210 38.487 -0.046 0.000 1.023 306 N HN 0.854 nan 8.380 nan 0.000 0.424 307 R N -0.274 120.183 120.500 -0.072 0.000 2.094 307 R HA -0.030 4.310 4.340 -0.000 0.000 0.239 307 R C 2.695 178.944 176.300 -0.086 0.000 1.137 307 R CA 2.816 58.868 56.100 -0.080 0.000 0.943 307 R CB -1.931 28.337 30.300 -0.052 0.000 0.850 307 R HN 0.939 nan 8.270 nan 0.000 0.433 308 E N 0.075 120.239 120.200 -0.059 0.000 2.070 308 E HA -0.027 4.323 4.350 -0.000 0.000 0.197 308 E C 2.593 179.159 176.600 -0.058 0.000 1.004 308 E CA 3.034 59.407 56.400 -0.046 0.000 0.805 308 E CB -1.414 28.269 29.700 -0.028 0.000 0.744 308 E HN 1.192 nan 8.360 nan 0.000 0.451 309 I N 0.860 121.387 120.570 -0.072 0.000 2.163 309 I HA 0.139 4.308 4.170 -0.000 0.000 0.243 309 I C 3.301 179.286 176.117 -0.219 0.000 1.085 309 I CA 3.252 64.509 61.300 -0.072 0.000 1.347 309 I CB -1.718 36.248 38.000 -0.056 0.000 1.044 309 I HN 0.865 nan 8.210 nan 0.000 0.408 310 L N 0.417 121.401 121.223 -0.399 0.000 2.265 310 L HA 0.056 4.396 4.340 -0.000 0.000 0.215 310 L C 2.870 179.532 176.870 -0.347 0.000 1.117 310 L CA 3.191 57.597 54.840 -0.723 0.000 0.782 310 L CB -2.469 39.320 42.059 -0.449 0.000 0.914 310 L HN 0.876 nan 8.230 nan 0.000 0.441 311 K N 0.395 120.710 120.400 -0.142 0.000 2.076 311 K HA 0.284 4.604 4.320 -0.000 0.000 0.204 311 K C 1.460 178.088 176.600 0.047 0.000 1.051 311 K CA 1.058 57.327 56.287 -0.030 0.000 0.949 311 K CB -1.285 31.199 32.500 -0.026 0.000 0.726 311 K HN 1.187 nan 8.250 nan 0.000 0.443 312 E N 2.652 122.887 120.200 0.059 0.000 2.491 312 E HA 0.299 4.649 4.350 -0.000 0.000 0.250 312 E C -2.545 174.182 176.600 0.211 0.000 1.061 312 E CA -1.744 54.717 56.400 0.101 0.000 0.942 312 E CB -0.733 29.011 29.700 0.073 0.000 0.957 312 E HN 0.453 nan 8.360 nan 0.000 0.480 313 P HA 0.192 nan 4.420 nan 0.000 0.270 313 P C -0.338 176.980 177.300 0.029 0.000 1.242 313 P CA -0.019 63.152 63.100 0.117 0.000 0.768 313 P CB 0.782 32.528 31.700 0.077 0.000 0.820 314 V N 2.033 121.888 119.914 -0.099 0.000 3.046 314 V HA 0.851 4.971 4.120 -0.000 0.000 0.316 314 V C -0.698 175.225 176.094 -0.285 0.000 1.104 314 V CA -0.668 61.461 62.300 -0.285 0.000 1.006 314 V CB 2.431 33.997 31.823 -0.429 0.000 1.058 314 V HN 0.730 nan 8.190 nan 0.000 0.440 315 H N 0.212 119.033 119.070 -0.415 0.000 3.037 315 H HA 0.698 5.254 4.556 -0.000 0.000 0.336 315 H C -0.682 174.253 175.328 -0.655 0.000 1.323 315 H CA -0.299 55.423 56.048 -0.544 0.000 1.159 315 H CB 1.542 31.087 29.762 -0.361 0.000 1.882 315 H HN 1.172 nan 8.280 nan 0.000 0.535 316 G N 0.538 108.714 108.800 -1.040 0.000 2.453 316 G HA2 0.493 4.452 3.960 -0.000 0.000 0.323 316 G HA3 0.493 4.452 3.960 -0.000 0.000 0.323 316 G C -0.768 173.800 174.900 -0.552 0.000 1.198 316 G CA -0.443 44.167 45.100 -0.816 0.000 0.959 316 G HN 0.484 nan 8.290 nan 0.000 0.482 317 V N 0.448 120.317 119.914 -0.074 0.000 3.556 317 V HA 0.567 4.686 4.120 -0.000 0.000 0.292 317 V C -0.384 175.910 176.094 0.333 0.000 1.030 317 V CA -0.732 61.566 62.300 -0.004 0.000 1.009 317 V CB 1.164 33.002 31.823 0.024 0.000 1.242 317 V HN 0.543 nan 8.190 nan 0.000 0.431 318 Y N 0.591 121.114 120.300 0.373 0.000 2.334 318 Y HA 0.370 4.920 4.550 -0.000 0.000 0.325 318 Y C -0.067 176.034 175.900 0.334 0.000 1.308 318 Y CA -0.974 57.350 58.100 0.374 0.000 1.389 318 Y CB 0.212 38.827 38.460 0.258 0.000 1.328 318 Y HN 0.595 nan 8.280 nan 0.000 0.532 319 Y N 1.789 122.343 120.300 0.423 0.000 2.320 319 Y HA 0.356 4.906 4.550 -0.000 0.000 0.324 319 Y C -0.450 175.553 175.900 0.171 0.000 1.190 319 Y CA -1.008 57.246 58.100 0.257 0.000 1.215 319 Y CB 0.853 39.552 38.460 0.398 0.000 1.221 319 Y HN 0.643 nan 8.280 nan 0.000 0.486 320 D N 7.306 127.215 120.400 -0.819 0.000 2.896 320 D HA 0.229 4.869 4.640 -0.000 0.000 0.241 320 D C -2.387 173.366 176.300 -0.911 0.000 1.188 320 D CA -2.002 51.588 54.000 -0.683 0.000 0.879 320 D CB 3.025 43.672 40.800 -0.255 0.000 1.553 320 D HN 0.351 nan 8.370 nan 0.000 0.515 321 P HA -0.162 nan 4.420 nan 0.000 0.215 321 P C 1.420 178.625 177.300 -0.159 0.000 1.157 321 P CA 1.193 64.124 63.100 -0.282 0.000 0.863 321 P CB 0.080 31.713 31.700 -0.110 0.000 0.787 322 S N -1.049 114.570 115.700 -0.134 0.000 2.402 322 S HA -0.115 4.355 4.470 -0.000 0.000 0.233 322 S C 1.456 176.009 174.600 -0.079 0.000 1.030 322 S CA 0.943 59.095 58.200 -0.081 0.000 1.003 322 S CB -0.628 62.534 63.200 -0.062 0.000 0.813 322 S HN 0.058 nan 8.310 nan 0.000 0.477 323 K N 1.994 122.326 120.400 -0.113 0.000 2.627 323 K HA 0.351 4.670 4.320 -0.000 0.000 0.269 323 K C -0.538 176.010 176.600 -0.087 0.000 1.029 323 K CA -0.207 56.025 56.287 -0.092 0.000 1.026 323 K CB 0.173 32.618 32.500 -0.091 0.000 1.350 323 K HN 0.464 nan 8.250 nan 0.000 0.506 324 D N -0.772 119.574 120.400 -0.090 0.000 2.477 324 D HA 0.369 5.009 4.640 -0.000 0.000 0.234 324 D C -0.496 175.707 176.300 -0.161 0.000 1.048 324 D CA -0.618 53.324 54.000 -0.096 0.000 0.959 324 D CB 0.704 41.446 40.800 -0.097 0.000 1.408 324 D HN 0.175 nan 8.370 nan 0.000 0.496 325 L N 0.107 121.207 121.223 -0.205 0.000 2.307 325 L HA 0.562 4.902 4.340 -0.000 0.000 0.282 325 L C -0.437 176.198 176.870 -0.392 0.000 1.051 325 L CA -0.795 53.834 54.840 -0.351 0.000 0.804 325 L CB 0.698 42.506 42.059 -0.419 0.000 1.197 325 L HN 0.343 nan 8.230 nan 0.000 0.431 326 I N 1.883 122.140 120.570 -0.522 0.000 2.569 326 I HA 0.701 4.871 4.170 -0.000 0.000 0.290 326 I C -0.606 175.185 176.117 -0.544 0.000 1.088 326 I CA -0.730 60.230 61.300 -0.567 0.000 1.047 326 I CB 2.051 39.639 38.000 -0.687 0.000 1.237 326 I HN 0.547 nan 8.210 nan 0.000 0.421 327 A N 5.065 127.641 122.820 -0.406 0.000 2.356 327 A HA 0.771 5.091 4.320 -0.000 0.000 0.310 327 A C -0.691 176.930 177.584 0.061 0.000 1.075 327 A CA -0.504 51.431 52.037 -0.169 0.000 0.746 327 A CB 1.244 20.081 19.000 -0.273 0.000 1.221 327 A HN 0.855 nan 8.150 nan 0.000 0.443 328 E N 2.860 123.201 120.200 0.234 0.000 2.238 328 E HA 0.690 5.040 4.350 -0.000 0.000 0.267 328 E C -0.949 175.832 176.600 0.302 0.000 0.887 328 E CA -0.849 55.717 56.400 0.275 0.000 0.769 328 E CB 1.591 31.451 29.700 0.266 0.000 1.187 328 E HN 0.394 nan 8.360 nan 0.000 0.416 329 I N 1.035 121.773 120.570 0.280 0.000 2.707 329 I HA 0.374 4.544 4.170 -0.000 0.000 0.309 329 I C 0.142 176.408 176.117 0.250 0.000 1.001 329 I CA -1.104 60.375 61.300 0.299 0.000 1.129 329 I CB 1.048 39.225 38.000 0.295 0.000 1.308 329 I HN 0.617 nan 8.210 nan 0.000 0.466 330 Q N 1.925 121.876 119.800 0.252 0.000 2.484 330 Q HA 0.654 4.994 4.340 -0.000 0.000 0.285 330 Q C -0.493 175.564 176.000 0.095 0.000 1.097 330 Q CA -0.876 55.016 55.803 0.148 0.000 0.802 330 Q CB 2.151 30.946 28.738 0.095 0.000 1.444 330 Q HN 0.700 nan 8.270 nan 0.000 0.429 331 K N 1.303 121.665 120.400 -0.064 0.000 2.535 331 K HA 0.438 4.758 4.320 -0.000 0.000 0.253 331 K C -0.125 176.347 176.600 -0.213 0.000 0.953 331 K CA -0.381 55.724 56.287 -0.304 0.000 0.863 331 K CB 1.228 33.470 32.500 -0.429 0.000 1.111 331 K HN 0.629 nan 8.250 nan 0.000 0.431 332 Q N 0.748 120.423 119.800 -0.208 0.000 2.453 332 Q HA 0.310 4.649 4.340 -0.000 0.000 0.192 332 Q C 1.267 177.187 176.000 -0.133 0.000 0.965 332 Q CA 0.253 55.982 55.803 -0.123 0.000 0.836 332 Q CB 0.594 29.294 28.738 -0.065 0.000 1.069 332 Q HN 0.726 nan 8.270 nan 0.000 0.594 333 G N 0.319 109.047 108.800 -0.120 0.000 2.547 333 G HA2 0.082 4.041 3.960 -0.000 0.000 0.291 333 G HA3 0.082 4.041 3.960 -0.000 0.000 0.291 333 G C -0.308 174.515 174.900 -0.129 0.000 1.211 333 G CA -0.407 44.638 45.100 -0.092 0.000 0.950 333 G HN 0.081 nan 8.290 nan 0.000 0.504 334 Q N 0.370 120.125 119.800 -0.076 0.000 3.025 334 Q HA 0.225 4.565 4.340 -0.000 0.000 0.251 334 Q C 0.944 176.924 176.000 -0.034 0.000 1.348 334 Q CA 0.921 56.686 55.803 -0.063 0.000 0.906 334 Q CB -0.087 28.641 28.738 -0.016 0.000 1.764 334 Q HN 1.110 nan 8.270 nan 0.000 0.535 335 G N 1.523 110.281 108.800 -0.071 0.000 2.189 335 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.113 335 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.113 335 G C -0.325 174.646 174.900 0.120 0.000 1.038 335 G CA -0.659 44.493 45.100 0.087 0.000 0.704 335 G HN 0.346 nan 8.290 nan 0.000 0.490 336 Q N -0.230 119.550 119.800 -0.034 0.000 2.397 336 Q HA 0.447 4.786 4.340 -0.000 0.000 0.260 336 Q C -0.873 175.142 176.000 0.024 0.000 1.002 336 Q CA -0.369 55.470 55.803 0.059 0.000 0.716 336 Q CB 1.234 29.973 28.738 0.001 0.000 1.258 336 Q HN 0.410 nan 8.270 nan 0.000 0.477 337 W N 1.304 122.665 121.300 0.102 0.000 2.576 337 W HA 0.632 5.292 4.660 -0.000 0.000 0.360 337 W C 0.182 176.758 176.519 0.094 0.000 1.109 337 W CA -0.386 57.028 57.345 0.115 0.000 1.237 337 W CB 1.488 31.054 29.460 0.177 0.000 1.369 337 W HN 0.249 nan 8.180 nan 0.000 0.609 338 T N 0.226 114.984 114.554 0.340 0.000 3.032 338 T HA 0.506 4.856 4.350 -0.000 0.000 0.312 338 T C -1.514 173.271 174.700 0.141 0.000 1.078 338 T CA -0.889 61.281 62.100 0.116 0.000 1.028 338 T CB 0.780 69.670 68.868 0.038 0.000 1.091 338 T HN 0.332 nan 8.240 nan 0.000 0.457 339 Y N 0.292 120.707 120.300 0.191 0.000 2.446 339 Y HA 0.838 5.388 4.550 -0.000 0.000 0.345 339 Y C -0.870 175.126 175.900 0.160 0.000 0.984 339 Y CA -1.508 56.699 58.100 0.179 0.000 1.058 339 Y CB 1.399 39.968 38.460 0.181 0.000 1.220 339 Y HN 0.508 nan 8.280 nan 0.000 0.455 340 Q N 3.743 123.728 119.800 0.309 0.000 2.333 340 Q HA 0.657 4.997 4.340 -0.000 0.000 0.267 340 Q C -1.330 174.881 176.000 0.352 0.000 1.012 340 Q CA -0.599 55.368 55.803 0.272 0.000 0.824 340 Q CB 2.722 31.573 28.738 0.189 0.000 1.290 340 Q HN 0.778 nan 8.270 nan 0.000 0.449 341 I N 3.670 124.426 120.570 0.310 0.000 2.339 341 I HA 0.511 4.681 4.170 -0.000 0.000 0.290 341 I C -0.835 175.368 176.117 0.144 0.000 0.994 341 I CA -1.011 60.378 61.300 0.149 0.000 1.191 341 I CB 0.262 38.333 38.000 0.118 0.000 1.343 341 I HN 0.639 nan 8.210 nan 0.000 0.458 342 Y N 3.391 123.669 120.300 -0.037 0.000 2.715 342 Y HA 0.553 5.103 4.550 -0.000 0.000 0.331 342 Y C -0.014 175.840 175.900 -0.077 0.000 1.197 342 Y CA -0.923 57.156 58.100 -0.035 0.000 1.079 342 Y CB 1.091 39.554 38.460 0.005 0.000 1.298 342 Y HN 0.411 nan 8.280 nan 0.000 0.477 343 Q N -0.693 119.112 119.800 0.008 0.000 2.534 343 Q HA 0.241 4.581 4.340 -0.000 0.000 0.252 343 Q C -0.698 175.369 176.000 0.111 0.000 0.850 343 Q CA 0.203 55.961 55.803 -0.075 0.000 0.974 343 Q CB 1.063 29.774 28.738 -0.045 0.000 1.205 343 Q HN 0.584 nan 8.270 nan 0.000 0.593 344 E N 0.859 121.225 120.200 0.278 0.000 2.185 344 E HA 0.225 4.575 4.350 -0.000 0.000 0.261 344 E C -2.101 174.653 176.600 0.257 0.000 0.879 344 E CA -1.940 54.603 56.400 0.239 0.000 0.756 344 E CB 1.840 31.608 29.700 0.113 0.000 1.152 344 E HN -0.127 nan 8.360 nan 0.000 0.416 345 P HA -0.300 nan 4.420 nan 0.000 0.245 345 P C 1.206 178.382 177.300 -0.207 0.000 0.756 345 P CA 1.593 64.597 63.100 -0.160 0.000 1.075 345 P CB -0.247 31.397 31.700 -0.094 0.000 0.774 346 F N -0.470 119.353 119.950 -0.211 0.000 2.325 346 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 346 F C 1.347 177.053 175.800 -0.157 0.000 1.090 346 F CA 0.837 58.720 58.000 -0.194 0.000 1.392 346 F CB -0.911 38.011 39.000 -0.129 0.000 1.053 346 F HN -0.150 nan 8.300 nan 0.000 0.521 347 K N 2.259 122.709 120.400 0.084 0.000 2.079 347 K HA -0.057 4.263 4.320 -0.000 0.000 0.255 347 K C -0.213 176.421 176.600 0.057 0.000 1.114 347 K CA -0.059 56.250 56.287 0.037 0.000 1.056 347 K CB -0.771 31.774 32.500 0.075 0.000 1.176 347 K HN 0.106 nan 8.250 nan 0.000 0.353 348 N N 2.538 121.215 118.700 -0.039 0.000 2.530 348 N HA 0.070 4.810 4.740 -0.000 0.000 0.273 348 N C 0.684 176.237 175.510 0.071 0.000 1.173 348 N CA -0.046 53.016 53.050 0.021 0.000 0.967 348 N CB 0.688 39.117 38.487 -0.095 0.000 1.109 348 N HN 0.343 nan 8.380 nan 0.000 0.453 349 L N 1.422 122.758 121.223 0.189 0.000 2.370 349 L HA 0.314 4.654 4.340 -0.000 0.000 0.191 349 L C 0.692 177.823 176.870 0.435 0.000 1.203 349 L CA 0.328 55.358 54.840 0.317 0.000 0.825 349 L CB -0.088 42.134 42.059 0.273 0.000 1.048 349 L HN 0.519 nan 8.230 nan 0.000 0.487 350 K N -0.218 120.419 120.400 0.394 0.000 2.469 350 K HA 0.381 4.701 4.320 -0.000 0.000 0.254 350 K C -1.450 175.319 176.600 0.282 0.000 0.939 350 K CA -0.399 56.126 56.287 0.396 0.000 0.812 350 K CB 2.171 34.870 32.500 0.332 0.000 1.301 350 K HN 0.202 nan 8.250 nan 0.000 0.433 351 T N -0.673 114.002 114.554 0.202 0.000 2.900 351 T HA 0.844 5.194 4.350 -0.000 0.000 0.295 351 T C -0.100 174.573 174.700 -0.046 0.000 1.044 351 T CA -0.836 61.307 62.100 0.072 0.000 0.995 351 T CB 1.960 70.838 68.868 0.017 0.000 1.072 351 T HN 0.696 nan 8.240 nan 0.000 0.473 352 G N 1.041 109.576 108.800 -0.441 0.000 2.606 352 G HA2 0.674 4.634 3.960 -0.000 0.000 0.300 352 G HA3 0.674 4.634 3.960 -0.000 0.000 0.300 352 G C -1.976 172.444 174.900 -0.801 0.000 1.360 352 G CA -1.186 43.643 45.100 -0.452 0.000 0.783 352 G HN 0.917 nan 8.290 nan 0.000 0.484 353 K N -1.470 118.779 120.400 -0.253 0.000 2.433 353 K HA 0.829 5.148 4.320 -0.000 0.000 0.252 353 K C -1.785 174.986 176.600 0.285 0.000 1.015 353 K CA -1.205 55.073 56.287 -0.014 0.000 0.860 353 K CB 1.836 34.360 32.500 0.041 0.000 1.359 353 K HN 0.634 nan 8.250 nan 0.000 0.452 354 Y N -0.504 119.927 120.300 0.219 0.000 2.442 354 Y HA 0.628 5.178 4.550 -0.000 0.000 0.344 354 Y C -1.446 174.593 175.900 0.231 0.000 0.976 354 Y CA -0.631 57.585 58.100 0.193 0.000 1.040 354 Y CB 2.481 41.001 38.460 0.100 0.000 1.228 354 Y HN 0.872 nan 8.280 nan 0.000 0.451 355 A N 6.345 128.962 122.820 -0.338 0.000 3.330 355 A HA 0.424 4.744 4.320 -0.000 0.000 0.256 355 A C -1.393 176.064 177.584 -0.212 0.000 1.185 355 A CA -0.561 51.426 52.037 -0.085 0.000 0.940 355 A CB 0.293 19.305 19.000 0.020 0.000 1.397 355 A HN 0.550 nan 8.150 nan 0.000 0.678 356 R N 1.452 121.764 120.500 -0.314 0.000 2.574 356 R HA 0.633 4.973 4.340 -0.000 0.000 0.288 356 R C -1.717 174.593 176.300 0.016 0.000 1.004 356 R CA -0.841 55.156 56.100 -0.171 0.000 0.895 356 R CB 1.126 31.259 30.300 -0.278 0.000 1.191 356 R HN 0.336 nan 8.270 nan 0.000 0.444 357 M N 4.902 124.521 119.600 0.033 0.000 2.664 357 M HA 0.357 4.837 4.480 -0.000 0.000 0.332 357 M C 1.457 177.789 176.300 0.055 0.000 1.354 357 M CA -0.054 55.283 55.300 0.063 0.000 1.399 357 M CB 0.636 33.261 32.600 0.043 0.000 1.224 357 M HN 0.575 nan 8.290 nan 0.000 0.479 358 R N 0.970 121.521 120.500 0.085 0.000 2.190 358 R HA -0.171 4.169 4.340 -0.000 0.000 0.255 358 R C 0.822 177.157 176.300 0.057 0.000 1.143 358 R CA 1.831 57.979 56.100 0.081 0.000 0.965 358 R CB 0.026 30.389 30.300 0.105 0.000 0.889 358 R HN 0.839 nan 8.270 nan 0.000 0.448 359 G N -3.899 104.932 108.800 0.052 0.000 3.022 359 G HA2 0.485 4.445 3.960 -0.000 0.000 0.284 359 G HA3 0.485 4.445 3.960 -0.000 0.000 0.284 359 G C -0.117 174.763 174.900 -0.032 0.000 1.375 359 G CA 0.041 45.154 45.100 0.022 0.000 0.902 359 G HN 0.186 nan 8.290 nan 0.000 0.538 360 A N -1.329 121.413 122.820 -0.130 0.000 2.119 360 A HA 0.226 4.546 4.320 -0.000 0.000 0.217 360 A C 0.721 178.039 177.584 -0.443 0.000 1.153 360 A CA 0.973 52.820 52.037 -0.318 0.000 0.692 360 A CB -0.417 18.299 19.000 -0.474 0.000 0.799 360 A HN 0.602 nan 8.150 nan 0.000 0.458 361 H N -0.291 118.811 119.070 0.053 0.000 2.917 361 H HA 0.377 4.933 4.556 -0.000 0.000 0.279 361 H C -0.299 175.051 175.328 0.038 0.000 1.211 361 H CA -0.044 56.029 56.048 0.041 0.000 1.534 361 H CB 1.045 30.831 29.762 0.039 0.000 1.581 361 H HN 0.298 nan 8.280 nan 0.000 0.510 362 T N -0.096 114.529 114.554 0.118 0.000 2.841 362 T HA 0.596 4.946 4.350 -0.000 0.000 0.276 362 T C -0.009 174.685 174.700 -0.010 0.000 1.003 362 T CA -1.122 61.013 62.100 0.060 0.000 0.995 362 T CB 1.897 70.804 68.868 0.065 0.000 1.260 362 T HN 0.599 nan 8.240 nan 0.000 0.581 363 N N -1.691 116.952 118.700 -0.096 0.000 2.494 363 N HA 0.341 5.081 4.740 -0.000 0.000 0.270 363 N C -0.324 175.054 175.510 -0.220 0.000 1.285 363 N CA -0.753 52.172 53.050 -0.208 0.000 0.812 363 N CB 0.682 38.949 38.487 -0.367 0.000 1.557 363 N HN 0.474 nan 8.380 nan 0.000 0.487 364 D N -0.203 120.051 120.400 -0.243 0.000 2.204 364 D HA -0.230 4.410 4.640 -0.000 0.000 0.189 364 D C 1.711 177.934 176.300 -0.127 0.000 1.006 364 D CA 2.908 56.838 54.000 -0.117 0.000 0.855 364 D CB -0.175 40.458 40.800 -0.279 0.000 0.946 364 D HN 0.484 nan 8.370 nan 0.000 0.448 365 V N -0.600 119.054 119.914 -0.433 0.000 2.332 365 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 365 V C 2.112 178.012 176.094 -0.323 0.000 1.055 365 V CA 1.707 63.691 62.300 -0.525 0.000 1.038 365 V CB -0.678 30.363 31.823 -1.304 0.000 0.651 365 V HN 0.145 nan 8.190 nan 0.000 0.450 366 K N -0.121 120.085 120.400 -0.324 0.000 2.009 366 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 366 K C 2.504 179.038 176.600 -0.110 0.000 1.049 366 K CA 1.956 58.211 56.287 -0.054 0.000 0.929 366 K CB -0.316 32.173 32.500 -0.017 0.000 0.714 366 K HN 0.567 nan 8.250 nan 0.000 0.440 367 Q N 0.708 120.439 119.800 -0.116 0.000 2.045 367 Q HA -0.222 4.118 4.340 -0.000 0.000 0.206 367 Q C 2.343 177.851 176.000 -0.819 0.000 0.991 367 Q CA 1.385 57.056 55.803 -0.220 0.000 0.851 367 Q CB -0.512 28.369 28.738 0.238 0.000 0.911 367 Q HN 0.235 nan 8.270 nan 0.000 0.418 368 L N 0.990 121.658 121.223 -0.926 0.000 1.990 368 L HA -0.230 4.109 4.340 -0.000 0.000 0.213 368 L C 2.309 178.708 176.870 -0.785 0.000 1.072 368 L CA 2.248 56.451 54.840 -1.061 0.000 0.755 368 L CB -0.977 40.736 42.059 -0.578 0.000 0.889 368 L HN 0.198 nan 8.230 nan 0.000 0.432 369 T N -0.569 113.685 114.554 -0.500 0.000 2.624 369 T HA -0.275 4.075 4.350 -0.000 0.000 0.268 369 T C 1.668 176.107 174.700 -0.435 0.000 1.041 369 T CA 1.967 63.846 62.100 -0.368 0.000 1.159 369 T CB -0.408 68.459 68.868 -0.001 0.000 0.863 369 T HN 0.488 nan 8.240 nan 0.000 0.434 370 E N 0.911 120.852 120.200 -0.432 0.000 2.049 370 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 370 E C 2.584 178.636 176.600 -0.913 0.000 1.007 370 E CA 1.225 57.332 56.400 -0.489 0.000 0.809 370 E CB -0.329 29.177 29.700 -0.324 0.000 0.749 370 E HN 0.507 nan 8.360 nan 0.000 0.450 371 A N 0.858 122.830 122.820 -1.413 0.000 1.865 371 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 371 A C 2.554 179.724 177.584 -0.690 0.000 1.191 371 A CA 1.664 52.920 52.037 -1.302 0.000 0.623 371 A CB -0.983 17.360 19.000 -1.096 0.000 0.826 371 A HN 0.140 nan 8.150 nan 0.000 0.444 372 V N 0.056 119.529 119.914 -0.736 0.000 2.250 372 V HA -0.412 3.708 4.120 -0.000 0.000 0.250 372 V C 2.728 178.517 176.094 -0.509 0.000 1.060 372 V CA 2.579 64.341 62.300 -0.896 0.000 1.030 372 V CB -1.062 30.014 31.823 -1.246 0.000 0.643 372 V HN 0.666 nan 8.190 nan 0.000 0.445 373 Q N -0.434 119.133 119.800 -0.388 0.000 2.030 373 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 373 Q C 2.459 178.393 176.000 -0.111 0.000 0.986 373 Q CA 1.970 57.671 55.803 -0.170 0.000 0.843 373 Q CB -0.347 28.318 28.738 -0.122 0.000 0.904 373 Q HN 0.604 nan 8.270 nan 0.000 0.420 374 K N 1.085 121.385 120.400 -0.166 0.000 2.032 374 K HA -0.244 4.076 4.320 -0.000 0.000 0.218 374 K C 1.956 178.506 176.600 -0.084 0.000 1.054 374 K CA 1.878 58.125 56.287 -0.067 0.000 0.941 374 K CB -0.338 32.157 32.500 -0.008 0.000 0.720 374 K HN 0.180 nan 8.250 nan 0.000 0.449 375 I N 1.038 121.505 120.570 -0.171 0.000 2.208 375 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 375 I C 2.390 178.498 176.117 -0.015 0.000 1.097 375 I CA 1.660 62.838 61.300 -0.203 0.000 1.363 375 I CB -0.675 37.228 38.000 -0.163 0.000 1.051 375 I HN 0.283 nan 8.210 nan 0.000 0.413 376 T N 0.271 114.886 114.554 0.101 0.000 2.544 376 T HA -0.262 4.088 4.350 -0.000 0.000 0.264 376 T C 1.947 176.672 174.700 0.041 0.000 1.096 376 T CA 2.516 64.683 62.100 0.111 0.000 1.181 376 T CB -0.637 68.306 68.868 0.125 0.000 0.864 376 T HN 0.381 nan 8.240 nan 0.000 0.415 377 T N 1.362 115.928 114.554 0.020 0.000 2.665 377 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 377 T C 1.926 176.615 174.700 -0.017 0.000 1.035 377 T CA 1.769 63.873 62.100 0.005 0.000 1.151 377 T CB -0.406 68.465 68.868 0.006 0.000 0.862 377 T HN 0.546 nan 8.240 nan 0.000 0.438 378 E N 0.333 120.515 120.200 -0.029 0.000 2.049 378 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 378 E C 2.466 179.017 176.600 -0.083 0.000 1.007 378 E CA 1.481 57.844 56.400 -0.061 0.000 0.809 378 E CB -0.247 29.418 29.700 -0.058 0.000 0.749 378 E HN 0.369 nan 8.360 nan 0.000 0.450 379 S N -0.017 115.681 115.700 -0.003 0.000 2.368 379 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 379 S C 1.917 176.548 174.600 0.052 0.000 1.030 379 S CA 1.045 59.314 58.200 0.115 0.000 0.999 379 S CB -0.254 63.044 63.200 0.163 0.000 0.844 379 S HN 0.332 nan 8.310 nan 0.000 0.459 380 I N 1.721 122.302 120.570 0.018 0.000 2.623 380 I HA -0.109 4.061 4.170 -0.000 0.000 0.261 380 I C 1.934 178.024 176.117 -0.046 0.000 1.204 380 I CA 0.928 62.231 61.300 0.004 0.000 1.444 380 I CB -1.506 36.499 38.000 0.007 0.000 1.094 380 I HN 0.260 nan 8.210 nan 0.000 0.451 381 V N 0.517 120.366 119.914 -0.107 0.000 2.602 381 V HA -0.019 4.101 4.120 -0.000 0.000 0.235 381 V C 2.356 178.262 176.094 -0.314 0.000 1.087 381 V CA 0.440 62.639 62.300 -0.169 0.000 1.117 381 V CB -0.268 31.459 31.823 -0.160 0.000 0.820 381 V HN 0.074 nan 8.190 nan 0.000 0.490 382 I N -0.894 119.358 120.570 -0.530 0.000 2.399 382 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 382 I C 1.867 177.222 176.117 -1.271 0.000 1.146 382 I CA 1.993 62.676 61.300 -1.029 0.000 1.412 382 I CB -0.950 36.024 38.000 -1.710 0.000 1.076 382 I HN 0.513 nan 8.210 nan 0.000 0.432 383 W N -0.063 121.087 121.300 -0.250 0.000 2.340 383 W HA 0.357 5.017 4.660 -0.000 0.000 0.250 383 W C 1.317 177.722 176.519 -0.190 0.000 0.952 383 W CA 0.488 57.624 57.345 -0.348 0.000 1.219 383 W CB -0.244 28.843 29.460 -0.621 0.000 0.921 383 W HN 0.275 nan 8.180 nan 0.000 0.603 384 G N 2.821 111.629 108.800 0.014 0.000 2.225 384 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.264 384 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.264 384 G C -0.248 174.685 174.900 0.054 0.000 1.060 384 G CA 0.893 46.005 45.100 0.019 0.000 0.833 384 G HN 0.282 nan 8.290 nan 0.000 0.498 385 K N -0.926 119.519 120.400 0.075 0.000 2.569 385 K HA 0.615 4.935 4.320 -0.000 0.000 0.259 385 K C -0.068 176.555 176.600 0.038 0.000 0.932 385 K CA -0.084 56.238 56.287 0.058 0.000 0.833 385 K CB 0.516 33.054 32.500 0.064 0.000 1.340 385 K HN 0.333 nan 8.250 nan 0.000 0.429 386 T N 3.896 118.466 114.554 0.028 0.000 2.751 386 T HA 0.294 4.644 4.350 -0.000 0.000 0.290 386 T C -2.039 172.622 174.700 -0.066 0.000 0.919 386 T CA -1.042 61.066 62.100 0.013 0.000 1.136 386 T CB 0.067 68.977 68.868 0.070 0.000 0.875 386 T HN 0.501 nan 8.240 nan 0.000 0.532 387 P HA 0.214 nan 4.420 nan 0.000 0.274 387 P C -0.327 176.731 177.300 -0.404 0.000 1.256 387 P CA -0.691 62.219 63.100 -0.317 0.000 0.795 387 P CB 0.945 32.388 31.700 -0.430 0.000 1.038 388 K N 0.663 120.847 120.400 -0.360 0.000 2.144 388 K HA 0.380 4.700 4.320 -0.000 0.000 0.270 388 K C -0.347 176.020 176.600 -0.388 0.000 1.005 388 K CA -0.197 55.934 56.287 -0.260 0.000 0.932 388 K CB 0.328 32.736 32.500 -0.152 0.000 1.021 388 K HN 0.344 nan 8.250 nan 0.000 0.462 389 F N 1.491 121.439 119.950 -0.004 0.000 2.420 389 F HA 0.256 4.783 4.527 -0.000 0.000 0.342 389 F C 0.573 176.429 175.800 0.093 0.000 1.113 389 F CA -0.586 57.427 58.000 0.022 0.000 1.059 389 F CB 1.398 40.396 39.000 -0.002 0.000 1.128 389 F HN 0.202 nan 8.300 nan 0.000 0.475 390 K N 5.335 125.904 120.400 0.281 0.000 2.360 390 K HA 0.403 4.723 4.320 -0.000 0.000 0.235 390 K C -1.028 175.725 176.600 0.256 0.000 1.077 390 K CA -0.201 56.231 56.287 0.241 0.000 1.035 390 K CB 0.530 33.135 32.500 0.174 0.000 1.623 390 K HN 0.514 nan 8.250 nan 0.000 0.462 391 L N 4.073 125.464 121.223 0.279 0.000 2.305 391 L HA 0.281 4.621 4.340 -0.000 0.000 0.281 391 L C -1.778 175.203 176.870 0.186 0.000 1.085 391 L CA -2.079 52.830 54.840 0.114 0.000 0.813 391 L CB 0.677 42.596 42.059 -0.232 0.000 1.157 391 L HN 0.260 nan 8.230 nan 0.000 0.436 392 P HA 0.179 nan 4.420 nan 0.000 0.249 392 P C -0.614 176.809 177.300 0.204 0.000 1.737 392 P CA 0.456 63.679 63.100 0.205 0.000 1.128 392 P CB 0.330 32.129 31.700 0.164 0.000 1.942 393 I N 0.367 121.125 120.570 0.313 0.000 2.771 393 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 393 I C -1.308 174.951 176.117 0.236 0.000 1.527 393 I CA -0.814 60.598 61.300 0.188 0.000 1.024 393 I CB 2.601 40.587 38.000 -0.025 0.000 1.388 393 I HN -0.007 nan 8.210 nan 0.000 0.447 394 Q N 5.510 125.239 119.800 -0.118 0.000 2.299 394 Q HA 0.275 4.614 4.340 -0.000 0.000 0.246 394 Q C 0.446 176.457 176.000 0.018 0.000 0.935 394 Q CA -0.852 54.615 55.803 -0.559 0.000 0.887 394 Q CB 1.266 29.634 28.738 -0.616 0.000 1.223 394 Q HN 0.457 nan 8.270 nan 0.000 0.439 395 K N 1.871 122.308 120.400 0.062 0.000 2.034 395 K HA -0.279 4.041 4.320 -0.000 0.000 0.214 395 K C 1.635 178.403 176.600 0.280 0.000 1.051 395 K CA 1.773 58.254 56.287 0.322 0.000 0.931 395 K CB -0.270 32.310 32.500 0.135 0.000 0.715 395 K HN 0.727 nan 8.250 nan 0.000 0.446 396 E N 0.554 120.817 120.200 0.106 0.000 2.097 396 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 396 E C 1.709 178.370 176.600 0.101 0.000 1.000 396 E CA 2.221 58.666 56.400 0.074 0.000 0.804 396 E CB 0.034 29.744 29.700 0.017 0.000 0.740 396 E HN 0.502 nan 8.360 nan 0.000 0.454 397 T N -0.243 114.385 114.554 0.124 0.000 2.614 397 T HA -0.236 4.114 4.350 -0.000 0.000 0.263 397 T C 1.583 176.447 174.700 0.273 0.000 1.055 397 T CA 1.183 63.367 62.100 0.140 0.000 1.162 397 T CB -1.204 67.722 68.868 0.096 0.000 0.863 397 T HN 0.483 nan 8.240 nan 0.000 0.414 398 W N 2.626 124.027 121.300 0.167 0.000 2.305 398 W HA -0.235 4.425 4.660 -0.000 0.000 0.308 398 W C 2.233 178.967 176.519 0.358 0.000 1.226 398 W CA 1.914 59.444 57.345 0.308 0.000 1.253 398 W CB -0.164 29.458 29.460 0.271 0.000 1.146 398 W HN 0.419 nan 8.180 nan 0.000 0.507 399 E N -0.129 120.171 120.200 0.167 0.000 2.005 399 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 399 E C 1.928 178.234 176.600 -0.490 0.000 1.010 399 E CA 2.870 59.125 56.400 -0.241 0.000 0.825 399 E CB -0.725 28.939 29.700 -0.061 0.000 0.769 399 E HN 0.129 nan 8.360 nan 0.000 0.456 400 T N 1.651 116.085 114.554 -0.200 0.000 2.720 400 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 400 T C 1.391 176.016 174.700 -0.126 0.000 1.037 400 T CA 1.528 63.523 62.100 -0.174 0.000 1.144 400 T CB -0.827 68.009 68.868 -0.055 0.000 0.864 400 T HN 0.491 nan 8.240 nan 0.000 0.444 401 W N 2.000 123.171 121.300 -0.214 0.000 2.292 401 W HA -0.252 4.408 4.660 -0.000 0.000 0.330 401 W C 2.451 178.896 176.519 -0.124 0.000 1.264 401 W CA 1.514 58.760 57.345 -0.165 0.000 1.235 401 W CB -0.549 28.857 29.460 -0.089 0.000 1.164 401 W HN 0.519 nan 8.180 nan 0.000 0.461 402 W N 2.955 123.753 121.300 -0.836 0.000 2.388 402 W HA -0.172 4.488 4.660 -0.000 0.000 0.294 402 W C 2.082 178.349 176.519 -0.421 0.000 1.212 402 W CA 2.073 58.844 57.345 -0.957 0.000 1.271 402 W CB -1.491 27.309 29.460 -1.100 0.000 1.126 402 W HN -0.041 nan 8.180 nan 0.000 0.535 403 T N 0.182 114.290 114.554 -0.743 0.000 2.622 403 T HA -0.291 4.059 4.350 -0.000 0.000 0.266 403 T C 1.589 176.269 174.700 -0.033 0.000 1.047 403 T CA 1.860 63.633 62.100 -0.544 0.000 1.159 403 T CB -0.967 67.493 68.868 -0.679 0.000 0.863 403 T HN 0.158 nan 8.240 nan 0.000 0.422 404 E N 0.633 120.745 120.200 -0.146 0.000 2.058 404 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 404 E C 0.619 177.204 176.600 -0.026 0.000 0.997 404 E CA 0.622 56.917 56.400 -0.174 0.000 0.801 404 E CB -0.535 29.069 29.700 -0.161 0.000 0.746 404 E HN 0.550 nan 8.360 nan 0.000 0.450 405 Y N 1.300 121.483 120.300 -0.195 0.000 2.857 405 Y HA -0.184 4.366 4.550 -0.000 0.000 0.373 405 Y C -0.041 175.963 175.900 0.173 0.000 1.346 405 Y CA -0.359 57.628 58.100 -0.187 0.000 1.736 405 Y CB -0.829 37.209 38.460 -0.704 0.000 1.236 405 Y HN 0.128 nan 8.280 nan 0.000 0.507 406 W N 7.775 129.031 121.300 -0.073 0.000 1.317 406 W HA 0.096 4.756 4.660 -0.000 0.000 0.492 406 W C 0.407 176.735 176.519 -0.318 0.000 0.581 406 W CA -0.104 57.150 57.345 -0.151 0.000 2.503 406 W CB -0.073 29.341 29.460 -0.076 0.000 1.157 406 W HN 0.429 nan 8.180 nan 0.000 0.299 407 Q N 1.029 120.620 119.800 -0.347 0.000 2.378 407 Q HA 0.239 4.579 4.340 -0.000 0.000 0.262 407 Q C -1.057 174.679 176.000 -0.440 0.000 0.978 407 Q CA -0.410 55.080 55.803 -0.523 0.000 0.918 407 Q CB 2.050 30.239 28.738 -0.915 0.000 1.415 407 Q HN 0.155 nan 8.270 nan 0.000 0.409 408 A N 2.716 125.372 122.820 -0.272 0.000 2.526 408 A HA 0.456 4.775 4.320 -0.000 0.000 0.267 408 A C -0.497 177.003 177.584 -0.140 0.000 1.095 408 A CA 0.835 52.758 52.037 -0.191 0.000 0.775 408 A CB -0.193 18.716 19.000 -0.151 0.000 1.036 408 A HN 0.538 nan 8.150 nan 0.000 0.510 409 T N 3.816 118.301 114.554 -0.116 0.000 2.956 409 T HA 0.622 4.972 4.350 -0.000 0.000 0.312 409 T C -0.964 173.769 174.700 0.055 0.000 1.151 409 T CA -0.438 61.671 62.100 0.014 0.000 1.024 409 T CB 1.433 70.345 68.868 0.073 0.000 1.140 409 T HN 1.016 nan 8.240 nan 0.000 0.473 410 W N 3.891 125.183 121.300 -0.012 0.000 3.137 410 W HA 0.744 5.404 4.660 -0.000 0.000 0.324 410 W C -2.901 173.701 176.519 0.137 0.000 1.253 410 W CA -1.374 55.991 57.345 0.033 0.000 1.183 410 W CB 0.624 30.029 29.460 -0.092 0.000 1.424 410 W HN 0.676 nan 8.180 nan 0.000 0.566 411 I N 4.709 124.776 120.570 -0.838 0.000 2.686 411 I HA 0.298 4.468 4.170 -0.000 0.000 0.295 411 I C -1.721 173.587 176.117 -1.348 0.000 1.114 411 I CA -2.231 58.518 61.300 -0.919 0.000 1.038 411 I CB 2.939 40.391 38.000 -0.914 0.000 1.238 411 I HN 0.076 nan 8.210 nan 0.000 0.420 412 P HA -0.014 nan 4.420 nan 0.000 0.282 412 P C -0.493 176.784 177.300 -0.038 0.000 1.286 412 P CA -0.304 62.724 63.100 -0.120 0.000 0.777 412 P CB 0.401 32.245 31.700 0.241 0.000 1.184 413 E N 0.852 121.101 120.200 0.081 0.000 2.757 413 E HA -0.053 4.297 4.350 -0.000 0.000 0.238 413 E C -0.635 176.055 176.600 0.150 0.000 1.057 413 E CA 0.004 56.437 56.400 0.056 0.000 0.952 413 E CB -0.151 29.576 29.700 0.046 0.000 0.934 413 E HN 0.327 nan 8.360 nan 0.000 0.518 414 W N 4.012 125.278 121.300 -0.057 0.000 2.936 414 W HA 0.477 5.137 4.660 -0.000 0.000 0.338 414 W C -1.104 175.413 176.519 -0.003 0.000 1.121 414 W CA -1.115 56.218 57.345 -0.020 0.000 1.209 414 W CB 0.326 29.705 29.460 -0.134 0.000 1.420 414 W HN 0.472 nan 8.180 nan 0.000 0.516 415 E N 1.853 122.096 120.200 0.071 0.000 2.281 415 E HA 0.587 4.937 4.350 -0.000 0.000 0.262 415 E C -1.639 175.108 176.600 0.244 0.000 0.933 415 E CA -0.941 55.403 56.400 -0.092 0.000 0.809 415 E CB 2.463 32.141 29.700 -0.036 0.000 1.242 415 E HN 0.237 nan 8.360 nan 0.000 0.418 416 F N 2.513 122.481 119.950 0.030 0.000 2.424 416 F HA 0.462 4.989 4.527 -0.000 0.000 0.356 416 F C -1.122 174.774 175.800 0.160 0.000 1.110 416 F CA -0.900 57.236 58.000 0.226 0.000 1.161 416 F CB 1.004 40.108 39.000 0.172 0.000 1.115 416 F HN 0.317 nan 8.300 nan 0.000 0.507 417 V N 6.477 126.288 119.914 -0.171 0.000 2.769 417 V HA 0.528 4.648 4.120 -0.000 0.000 0.312 417 V C -1.469 174.463 176.094 -0.270 0.000 1.061 417 V CA -0.695 61.383 62.300 -0.370 0.000 0.931 417 V CB 2.166 33.960 31.823 -0.048 0.000 1.010 417 V HN 0.928 nan 8.190 nan 0.000 0.433 418 N N 2.822 121.359 118.700 -0.272 0.000 2.352 418 N HA 0.752 5.492 4.740 -0.000 0.000 0.291 418 N C -0.153 175.370 175.510 0.022 0.000 1.040 418 N CA 0.316 53.376 53.050 0.017 0.000 0.864 418 N CB 2.335 40.885 38.487 0.104 0.000 1.440 418 N HN 0.767 nan 8.380 nan 0.000 0.483 419 T N -1.127 113.467 114.554 0.066 0.000 3.709 419 T HA 0.262 4.612 4.350 -0.000 0.000 0.211 419 T C -2.164 172.565 174.700 0.049 0.000 0.778 419 T CA -0.046 62.081 62.100 0.045 0.000 1.032 419 T CB -1.307 67.579 68.868 0.031 0.000 0.952 419 T HN 0.473 nan 8.240 nan 0.000 0.338 420 P HA 0.466 nan 4.420 nan 0.000 0.297 420 P C -2.868 174.449 177.300 0.028 0.000 1.303 420 P CA -1.214 61.902 63.100 0.027 0.000 0.753 420 P CB -0.914 30.794 31.700 0.015 0.000 1.281 421 P HA 0.046 nan 4.420 nan 0.000 0.248 421 P C -0.089 177.215 177.300 0.007 0.000 1.254 421 P CA 0.398 63.502 63.100 0.005 0.000 1.252 421 P CB -0.728 30.949 31.700 -0.037 0.000 1.465 422 L N 2.596 123.854 121.223 0.058 0.000 2.776 422 L HA -0.098 4.242 4.340 -0.000 0.000 0.283 422 L C 0.611 177.492 176.870 0.019 0.000 1.194 422 L CA 0.170 55.056 54.840 0.077 0.000 0.947 422 L CB -0.401 41.731 42.059 0.121 0.000 1.255 422 L HN 0.108 nan 8.230 nan 0.000 0.481 423 V N 5.181 125.093 119.914 -0.004 0.000 2.485 423 V HA 0.145 4.265 4.120 -0.000 0.000 0.287 423 V C 0.403 176.430 176.094 -0.113 0.000 1.022 423 V CA 0.117 62.369 62.300 -0.080 0.000 1.067 423 V CB 0.406 32.240 31.823 0.017 0.000 0.967 423 V HN 0.910 nan 8.190 nan 0.000 0.479 424 K N 3.907 124.154 120.400 -0.255 0.000 2.579 424 K HA 0.689 5.009 4.320 -0.000 0.000 0.284 424 K C -1.851 174.482 176.600 -0.446 0.000 0.990 424 K CA -1.189 54.961 56.287 -0.229 0.000 0.880 424 K CB 1.308 33.780 32.500 -0.047 0.000 1.488 424 K HN 0.220 nan 8.250 nan 0.000 0.425 425 L N 1.581 122.628 121.223 -0.294 0.000 2.371 425 L HA 0.354 4.694 4.340 -0.000 0.000 0.272 425 L C 0.951 177.795 176.870 -0.043 0.000 1.124 425 L CA 0.010 54.650 54.840 -0.333 0.000 0.816 425 L CB -0.012 41.895 42.059 -0.254 0.000 1.129 425 L HN 0.709 nan 8.230 nan 0.000 0.448 426 W N 0.966 122.191 121.300 -0.126 0.000 2.443 426 W HA -0.005 4.655 4.660 -0.000 0.000 0.315 426 W C 0.572 177.113 176.519 0.036 0.000 1.104 426 W CA -0.219 57.123 57.345 -0.006 0.000 1.299 426 W CB -0.255 29.270 29.460 0.108 0.000 1.228 426 W HN 0.492 nan 8.180 nan 0.000 0.458 427 Y N 0.975 121.436 120.300 0.269 0.000 2.295 427 Y HA 0.490 5.040 4.550 -0.000 0.000 0.331 427 Y C -0.320 175.626 175.900 0.077 0.000 1.311 427 Y CA -1.242 56.934 58.100 0.128 0.000 1.430 427 Y CB 0.125 38.639 38.460 0.090 0.000 1.339 427 Y HN 0.044 nan 8.280 nan 0.000 0.552 428 Q N 1.658 121.597 119.800 0.231 0.000 2.296 428 Q HA 0.341 4.681 4.340 -0.000 0.000 0.254 428 Q C -1.890 174.189 176.000 0.131 0.000 0.936 428 Q CA -0.459 55.401 55.803 0.096 0.000 0.834 428 Q CB 1.062 29.829 28.738 0.049 0.000 1.340 428 Q HN 0.829 nan 8.270 nan 0.000 0.428 429 L N 2.780 124.071 121.223 0.112 0.000 2.499 429 L HA 0.169 4.509 4.340 -0.000 0.000 0.281 429 L C 0.560 177.459 176.870 0.049 0.000 1.234 429 L CA 0.629 55.512 54.840 0.072 0.000 0.839 429 L CB 0.351 42.416 42.059 0.010 0.000 1.104 429 L HN 0.738 nan 8.230 nan 0.000 0.500 430 E N 2.676 122.925 120.200 0.081 0.000 2.331 430 E HA 0.125 4.475 4.350 -0.000 0.000 0.272 430 E C 0.708 177.389 176.600 0.136 0.000 1.036 430 E CA -0.369 56.098 56.400 0.112 0.000 0.864 430 E CB 1.115 30.907 29.700 0.154 0.000 1.035 430 E HN 0.381 nan 8.360 nan 0.000 0.408 431 K N 1.276 121.728 120.400 0.087 0.000 1.965 431 K HA -0.075 4.245 4.320 -0.000 0.000 0.214 431 K C 0.632 177.337 176.600 0.175 0.000 1.046 431 K CA 1.048 57.379 56.287 0.073 0.000 0.944 431 K CB 0.099 32.613 32.500 0.023 0.000 0.726 431 K HN 0.363 nan 8.250 nan 0.000 0.441 432 E N 0.830 121.102 120.200 0.120 0.000 2.222 432 E HA 0.244 4.594 4.350 -0.000 0.000 0.272 432 E C -2.480 174.043 176.600 -0.127 0.000 0.982 432 E CA -2.614 53.818 56.400 0.054 0.000 0.842 432 E CB 1.105 30.795 29.700 -0.016 0.000 1.144 432 E HN 0.057 nan 8.360 nan 0.000 0.397 433 P HA 0.041 nan 4.420 nan 0.000 0.267 433 P C -0.039 177.030 177.300 -0.384 0.000 1.205 433 P CA -0.334 62.171 63.100 -0.993 0.000 0.765 433 P CB 0.435 31.449 31.700 -1.144 0.000 0.828 434 I N 5.023 125.442 120.570 -0.251 0.000 2.396 434 I HA 0.039 4.208 4.170 -0.000 0.000 0.289 434 I C -0.400 175.638 176.117 -0.131 0.000 1.056 434 I CA -0.671 60.549 61.300 -0.134 0.000 1.365 434 I CB 0.390 38.348 38.000 -0.070 0.000 1.407 434 I HN 0.042 nan 8.210 nan 0.000 0.509 435 V N 8.191 128.042 119.914 -0.105 0.000 2.555 435 V HA 0.525 4.645 4.120 -0.000 0.000 0.286 435 V C 1.159 177.213 176.094 -0.067 0.000 1.044 435 V CA 0.604 62.852 62.300 -0.087 0.000 1.026 435 V CB 0.260 32.041 31.823 -0.069 0.000 0.981 435 V HN 1.098 nan 8.190 nan 0.000 0.480 436 G N 3.158 111.919 108.800 -0.065 0.000 2.135 436 G HA2 0.183 4.142 3.960 -0.000 0.000 0.183 436 G HA3 0.183 4.142 3.960 -0.000 0.000 0.183 436 G C -0.065 174.797 174.900 -0.062 0.000 1.004 436 G CA 0.108 45.176 45.100 -0.054 0.000 0.677 436 G HN 1.489 nan 8.290 nan 0.000 0.512 437 A N -0.568 122.203 122.820 -0.083 0.000 2.527 437 A HA 0.853 5.173 4.320 -0.000 0.000 0.293 437 A C -0.111 177.385 177.584 -0.147 0.000 1.117 437 A CA -0.560 51.414 52.037 -0.105 0.000 0.723 437 A CB 1.181 20.120 19.000 -0.101 0.000 1.313 437 A HN 0.297 nan 8.150 nan 0.000 0.411 438 E N 0.553 120.616 120.200 -0.228 0.000 2.373 438 E HA 0.376 4.725 4.350 -0.000 0.000 0.263 438 E C -0.317 176.051 176.600 -0.387 0.000 1.073 438 E CA 0.216 56.412 56.400 -0.341 0.000 0.894 438 E CB 0.688 30.052 29.700 -0.560 0.000 1.008 438 E HN 0.605 nan 8.360 nan 0.000 0.420 439 T N 0.089 114.489 114.554 -0.257 0.000 3.250 439 T HA 0.321 4.671 4.350 -0.000 0.000 0.391 439 T C -0.472 174.273 174.700 0.074 0.000 1.502 439 T CA -0.784 61.250 62.100 -0.110 0.000 1.320 439 T CB -0.465 68.399 68.868 -0.007 0.000 1.102 439 T HN 0.096 nan 8.240 nan 0.000 0.610 440 F N 2.385 122.402 119.950 0.110 0.000 2.541 440 F HA 0.264 4.791 4.527 -0.000 0.000 0.378 440 F C 0.436 176.327 175.800 0.152 0.000 1.068 440 F CA -1.462 56.637 58.000 0.166 0.000 1.199 440 F CB -0.075 38.903 39.000 -0.036 0.000 1.091 440 F HN 0.499 nan 8.300 nan 0.000 0.555 441 Y N 3.108 123.599 120.300 0.319 0.000 2.650 441 Y HA 0.366 4.916 4.550 -0.000 0.000 0.343 441 Y C 0.118 176.127 175.900 0.181 0.000 1.078 441 Y CA -0.591 57.616 58.100 0.179 0.000 1.356 441 Y CB 0.225 38.764 38.460 0.132 0.000 1.204 441 Y HN 0.232 nan 8.280 nan 0.000 0.508 442 V N 2.594 122.622 119.914 0.190 0.000 2.904 442 V HA 0.461 4.581 4.120 -0.000 0.000 0.305 442 V C -0.131 176.031 176.094 0.115 0.000 1.067 442 V CA -0.562 61.815 62.300 0.127 0.000 1.044 442 V CB 1.741 33.561 31.823 -0.005 0.000 1.050 442 V HN 0.654 nan 8.190 nan 0.000 0.475 443 D N -0.330 120.136 120.400 0.110 0.000 2.653 443 D HA 0.674 5.314 4.640 -0.000 0.000 0.258 443 D C -0.519 175.826 176.300 0.075 0.000 1.252 443 D CA 0.211 54.260 54.000 0.082 0.000 0.777 443 D CB 2.041 42.889 40.800 0.080 0.000 1.339 443 D HN 0.988 nan 8.370 nan 0.000 0.422 444 G N -0.443 108.394 108.800 0.062 0.000 2.660 444 G HA2 0.919 4.879 3.960 -0.000 0.000 0.290 444 G HA3 0.919 4.879 3.960 -0.000 0.000 0.290 444 G C -1.626 173.303 174.900 0.048 0.000 1.432 444 G CA -0.133 45.002 45.100 0.059 0.000 0.807 444 G HN 1.014 nan 8.290 nan 0.000 0.485 445 A N -1.436 121.410 122.820 0.044 0.000 2.550 445 A HA 1.027 5.347 4.320 -0.000 0.000 0.295 445 A C -0.644 176.959 177.584 0.031 0.000 1.001 445 A CA 0.427 52.484 52.037 0.034 0.000 0.660 445 A CB 0.713 19.728 19.000 0.024 0.000 1.308 445 A HN 2.691 nan 8.150 nan 0.000 0.426 446 A N 0.712 123.548 122.820 0.027 0.000 2.564 446 A HA 0.811 5.131 4.320 -0.000 0.000 0.291 446 A C -1.421 176.175 177.584 0.020 0.000 1.102 446 A CA -0.253 51.798 52.037 0.024 0.000 0.660 446 A CB 1.024 20.040 19.000 0.026 0.000 1.283 446 A HN 1.530 nan 8.150 nan 0.000 0.430 447 N N -0.175 118.536 118.700 0.018 0.000 2.408 447 N HA 0.442 5.182 4.740 -0.000 0.000 0.280 447 N C 1.232 176.751 175.510 0.015 0.000 1.002 447 N CA 0.397 53.457 53.050 0.017 0.000 0.907 447 N CB 1.784 40.281 38.487 0.016 0.000 1.161 447 N HN 0.942 nan 8.380 nan 0.000 0.488 448 R N 2.685 123.193 120.500 0.014 0.000 2.140 448 R HA -0.245 4.095 4.340 -0.000 0.000 0.250 448 R C 2.018 178.325 176.300 0.011 0.000 1.150 448 R CA 2.888 58.995 56.100 0.011 0.000 0.966 448 R CB -1.948 28.358 30.300 0.010 0.000 0.869 448 R HN 0.845 nan 8.270 nan 0.000 0.445 449 E N 0.037 120.244 120.200 0.012 0.000 2.190 449 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 449 E C 2.316 178.922 176.600 0.011 0.000 0.978 449 E CA 1.500 57.907 56.400 0.011 0.000 0.839 449 E CB -1.072 28.634 29.700 0.011 0.000 0.787 449 E HN 0.863 nan 8.360 nan 0.000 0.473 450 T N -1.243 113.318 114.554 0.012 0.000 2.778 450 T HA -0.194 4.156 4.350 -0.000 0.000 0.269 450 T C 1.401 176.109 174.700 0.013 0.000 1.050 450 T CA 1.393 63.501 62.100 0.013 0.000 1.137 450 T CB -0.335 68.541 68.868 0.013 0.000 0.860 450 T HN 0.556 nan 8.240 nan 0.000 0.468 451 K N -0.054 120.354 120.400 0.014 0.000 3.500 451 K HA -0.148 4.171 4.320 -0.000 0.000 0.313 451 K C -0.416 176.195 176.600 0.017 0.000 1.338 451 K CA 1.082 57.378 56.287 0.015 0.000 0.963 451 K CB -2.162 30.346 32.500 0.013 0.000 1.267 451 K HN 0.666 nan 8.250 nan 0.000 0.448 452 L N -4.030 117.204 121.223 0.018 0.000 2.469 452 L HA 0.912 5.252 4.340 -0.000 0.000 0.256 452 L C 0.174 177.057 176.870 0.021 0.000 1.006 452 L CA -0.840 54.011 54.840 0.020 0.000 0.832 452 L CB 2.310 44.379 42.059 0.017 0.000 1.421 452 L HN -0.048 nan 8.230 nan 0.000 0.410 453 G N 0.097 108.911 108.800 0.024 0.000 2.634 453 G HA2 0.695 4.655 3.960 -0.000 0.000 0.309 453 G HA3 0.695 4.655 3.960 -0.000 0.000 0.309 453 G C -2.022 172.894 174.900 0.027 0.000 1.299 453 G CA -0.730 44.385 45.100 0.025 0.000 0.798 453 G HN 0.537 nan 8.290 nan 0.000 0.490 454 K N -1.223 119.194 120.400 0.029 0.000 2.444 454 K HA 0.808 5.128 4.320 -0.000 0.000 0.252 454 K C -1.015 175.609 176.600 0.040 0.000 0.993 454 K CA -0.518 55.787 56.287 0.030 0.000 0.847 454 K CB 2.622 35.135 32.500 0.021 0.000 1.340 454 K HN 0.920 nan 8.250 nan 0.000 0.446 455 A N 0.651 123.498 122.820 0.045 0.000 2.459 455 A HA 0.841 5.161 4.320 -0.000 0.000 0.296 455 A C -0.799 176.828 177.584 0.072 0.000 1.039 455 A CA -0.177 51.897 52.037 0.061 0.000 0.698 455 A CB 1.647 20.688 19.000 0.068 0.000 1.261 455 A HN 0.743 nan 8.150 nan 0.000 0.405 456 G N 0.093 108.956 108.800 0.103 0.000 2.561 456 G HA2 0.804 4.764 3.960 -0.000 0.000 0.310 456 G HA3 0.804 4.764 3.960 -0.000 0.000 0.310 456 G C -1.204 173.856 174.900 0.267 0.000 1.292 456 G CA 0.375 45.561 45.100 0.144 0.000 0.811 456 G HN 2.192 nan 8.290 nan 0.000 0.482 457 Y N -3.467 116.806 120.300 -0.046 0.000 2.925 457 Y HA 0.775 5.325 4.550 -0.000 0.000 0.349 457 Y C -1.438 174.457 175.900 -0.008 0.000 1.342 457 Y CA -1.380 56.709 58.100 -0.018 0.000 1.093 457 Y CB 0.648 39.078 38.460 -0.051 0.000 1.571 457 Y HN 0.846 nan 8.280 nan 0.000 0.438 458 V N 0.359 120.383 119.914 0.182 0.000 3.130 458 V HA 0.779 4.898 4.120 -0.000 0.000 0.310 458 V C -0.767 175.541 176.094 0.356 0.000 1.158 458 V CA -0.434 61.913 62.300 0.077 0.000 1.029 458 V CB 1.981 33.817 31.823 0.021 0.000 1.057 458 V HN 1.004 nan 8.190 nan 0.000 0.436 459 T N 0.424 115.147 114.554 0.281 0.000 2.924 459 T HA 0.302 4.652 4.350 -0.000 0.000 0.291 459 T C 0.919 175.730 174.700 0.185 0.000 1.045 459 T CA -0.324 62.018 62.100 0.403 0.000 1.015 459 T CB 1.219 70.384 68.868 0.495 0.000 1.103 459 T HN 0.893 nan 8.240 nan 0.000 0.496 460 N N 2.153 120.956 118.700 0.171 0.000 2.430 460 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 460 N C 0.699 176.234 175.510 0.042 0.000 1.032 460 N CA 1.007 54.106 53.050 0.083 0.000 0.893 460 N CB -0.241 38.300 38.487 0.090 0.000 0.957 460 N HN 0.524 nan 8.380 nan 0.000 0.442 461 K N -0.503 119.932 120.400 0.059 0.000 2.500 461 K HA 0.302 4.622 4.320 -0.000 0.000 0.206 461 K C 0.879 177.497 176.600 0.031 0.000 1.034 461 K CA 0.295 56.605 56.287 0.038 0.000 1.179 461 K CB 0.177 32.702 32.500 0.042 0.000 0.884 461 K HN 0.284 nan 8.250 nan 0.000 0.493 462 G N 1.936 110.749 108.800 0.022 0.000 2.347 462 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.247 462 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.247 462 G C 0.357 175.254 174.900 -0.005 0.000 1.037 462 G CA 0.435 45.533 45.100 -0.002 0.000 0.622 462 G HN 0.464 nan 8.290 nan 0.000 0.521 463 R N 1.231 121.745 120.500 0.023 0.000 2.678 463 R HA 0.386 4.726 4.340 -0.000 0.000 0.264 463 R C 0.207 176.453 176.300 -0.090 0.000 0.995 463 R CA 1.123 57.218 56.100 -0.009 0.000 1.098 463 R CB 0.099 30.434 30.300 0.059 0.000 0.949 463 R HN 0.557 nan 8.270 nan 0.000 0.422 464 Q N 1.135 120.824 119.800 -0.185 0.000 2.553 464 Q HA 0.479 4.819 4.340 -0.000 0.000 0.293 464 Q C -1.611 174.143 176.000 -0.409 0.000 1.038 464 Q CA -1.117 54.511 55.803 -0.292 0.000 0.777 464 Q CB 2.539 31.176 28.738 -0.168 0.000 1.487 464 Q HN 0.619 nan 8.270 nan 0.000 0.426 465 K N -0.267 119.856 120.400 -0.462 0.000 2.639 465 K HA 0.657 4.977 4.320 -0.000 0.000 0.279 465 K C -2.202 174.265 176.600 -0.221 0.000 0.976 465 K CA -0.536 55.532 56.287 -0.365 0.000 0.861 465 K CB 2.006 34.206 32.500 -0.500 0.000 1.436 465 K HN 0.363 nan 8.250 nan 0.000 0.400 466 V N 2.801 122.645 119.914 -0.116 0.000 2.789 466 V HA 0.418 4.538 4.120 -0.000 0.000 0.300 466 V C -1.462 174.616 176.094 -0.028 0.000 1.184 466 V CA -0.739 61.531 62.300 -0.051 0.000 0.930 466 V CB 2.044 33.840 31.823 -0.044 0.000 1.041 466 V HN 0.571 nan 8.190 nan 0.000 0.430 467 V N 6.406 126.318 119.914 -0.003 0.000 2.709 467 V HA 0.625 4.745 4.120 -0.000 0.000 0.308 467 V C -2.665 173.438 176.094 0.014 0.000 1.062 467 V CA -2.062 60.239 62.300 0.002 0.000 0.901 467 V CB 2.564 34.391 31.823 0.006 0.000 1.003 467 V HN 0.701 nan 8.190 nan 0.000 0.425 468 P HA 0.741 nan 4.420 nan 0.000 0.287 468 P C -1.637 175.676 177.300 0.022 0.000 1.270 468 P CA -0.555 62.555 63.100 0.016 0.000 0.844 468 P CB 1.212 32.918 31.700 0.011 0.000 1.068 469 L N -0.356 120.883 121.223 0.027 0.000 2.415 469 L HA 0.798 5.138 4.340 -0.000 0.000 0.256 469 L C -0.294 176.593 176.870 0.028 0.000 1.010 469 L CA -0.507 54.351 54.840 0.031 0.000 0.826 469 L CB 1.103 43.187 42.059 0.041 0.000 1.405 469 L HN 0.144 nan 8.230 nan 0.000 0.410 470 T N 0.115 114.686 114.554 0.028 0.000 2.907 470 T HA 0.564 4.914 4.350 -0.000 0.000 0.292 470 T C 0.038 174.754 174.700 0.027 0.000 1.043 470 T CA -0.344 61.770 62.100 0.025 0.000 1.003 470 T CB 1.339 70.219 68.868 0.020 0.000 1.084 470 T HN 0.700 nan 8.240 nan 0.000 0.483 471 N N 0.258 118.973 118.700 0.025 0.000 2.952 471 N HA -0.131 4.609 4.740 -0.000 0.000 0.245 471 N C 0.140 175.668 175.510 0.030 0.000 1.029 471 N CA 1.525 54.590 53.050 0.025 0.000 0.870 471 N CB -1.356 37.146 38.487 0.025 0.000 1.121 471 N HN 0.940 nan 8.380 nan 0.000 0.559 472 T N -3.399 111.174 114.554 0.032 0.000 2.804 472 T HA 0.829 5.179 4.350 -0.000 0.000 0.272 472 T C 0.515 175.234 174.700 0.032 0.000 0.986 472 T CA 0.347 62.469 62.100 0.038 0.000 0.999 472 T CB 2.561 71.458 68.868 0.048 0.000 1.307 472 T HN 0.247 nan 8.240 nan 0.000 0.586 473 T N -1.923 112.652 114.554 0.034 0.000 2.841 473 T HA 0.438 4.788 4.350 -0.000 0.000 0.296 473 T C 0.772 175.488 174.700 0.026 0.000 1.166 473 T CA -0.956 61.157 62.100 0.022 0.000 1.007 473 T CB 1.268 70.141 68.868 0.007 0.000 1.253 473 T HN 0.480 nan 8.240 nan 0.000 0.511 474 N N 0.604 119.313 118.700 0.015 0.000 2.064 474 N HA -0.235 4.505 4.740 -0.000 0.000 0.200 474 N C 1.793 177.324 175.510 0.035 0.000 1.028 474 N CA 2.228 55.290 53.050 0.021 0.000 0.880 474 N CB -0.518 37.973 38.487 0.008 0.000 1.062 474 N HN 0.668 nan 8.380 nan 0.000 0.454 475 Q N 0.888 120.683 119.800 -0.009 0.000 2.061 475 Q HA -0.054 4.286 4.340 -0.000 0.000 0.204 475 Q C 2.079 178.181 176.000 0.171 0.000 0.984 475 Q CA 1.482 57.277 55.803 -0.013 0.000 0.846 475 Q CB -0.033 28.478 28.738 -0.380 0.000 0.902 475 Q HN 0.380 nan 8.270 nan 0.000 0.421 476 K N -0.246 120.226 120.400 0.120 0.000 2.044 476 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 476 K C 2.353 179.035 176.600 0.136 0.000 1.049 476 K CA 1.838 58.217 56.287 0.153 0.000 0.927 476 K CB -0.632 31.925 32.500 0.095 0.000 0.713 476 K HN 0.470 nan 8.250 nan 0.000 0.443 477 T N 0.204 114.819 114.554 0.102 0.000 2.607 477 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 477 T C 1.808 176.568 174.700 0.099 0.000 1.049 477 T CA 1.318 63.471 62.100 0.088 0.000 1.162 477 T CB -0.325 68.583 68.868 0.068 0.000 0.863 477 T HN 0.147 nan 8.240 nan 0.000 0.424 478 E N 1.014 121.285 120.200 0.118 0.000 2.070 478 E HA -0.129 4.221 4.350 -0.000 0.000 0.197 478 E C 2.242 178.899 176.600 0.095 0.000 1.004 478 E CA 1.285 57.754 56.400 0.116 0.000 0.805 478 E CB -0.607 29.187 29.700 0.158 0.000 0.744 478 E HN 0.415 nan 8.360 nan 0.000 0.451 479 L N 1.406 122.697 121.223 0.114 0.000 2.079 479 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 479 L C 2.528 179.419 176.870 0.035 0.000 1.081 479 L CA 1.829 56.687 54.840 0.031 0.000 0.752 479 L CB -0.593 41.480 42.059 0.022 0.000 0.896 479 L HN 0.057 nan 8.230 nan 0.000 0.433 480 Q N -0.297 119.546 119.800 0.071 0.000 2.020 480 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 480 Q C 2.217 178.280 176.000 0.104 0.000 0.982 480 Q CA 2.211 58.071 55.803 0.095 0.000 0.838 480 Q CB -0.627 28.170 28.738 0.098 0.000 0.899 480 Q HN 0.514 nan 8.270 nan 0.000 0.423 481 A N 1.009 123.874 122.820 0.074 0.000 1.971 481 A HA -0.237 4.083 4.320 -0.000 0.000 0.222 481 A C 2.030 179.614 177.584 -0.001 0.000 1.182 481 A CA 1.857 53.924 52.037 0.049 0.000 0.649 481 A CB -1.018 18.015 19.000 0.055 0.000 0.818 481 A HN 0.539 nan 8.150 nan 0.000 0.458 482 I N -1.710 118.867 120.570 0.012 0.000 2.151 482 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 482 I C 2.410 178.543 176.117 0.026 0.000 1.080 482 I CA 1.824 63.116 61.300 -0.013 0.000 1.339 482 I CB -1.548 36.443 38.000 -0.014 0.000 1.039 482 I HN 0.519 nan 8.210 nan 0.000 0.409 483 Y N 2.054 122.303 120.300 -0.086 0.000 2.097 483 Y HA -0.241 4.309 4.550 -0.000 0.000 0.282 483 Y C 2.575 178.414 175.900 -0.100 0.000 1.152 483 Y CA 1.388 59.441 58.100 -0.080 0.000 1.136 483 Y CB -0.815 37.617 38.460 -0.047 0.000 0.975 483 Y HN 0.042 nan 8.280 nan 0.000 0.498 484 L N -0.437 120.728 121.223 -0.097 0.000 1.978 484 L HA -0.350 3.990 4.340 -0.000 0.000 0.218 484 L C 2.764 179.420 176.870 -0.358 0.000 1.075 484 L CA 1.782 56.500 54.840 -0.204 0.000 0.767 484 L CB -1.479 40.559 42.059 -0.035 0.000 0.890 484 L HN 0.273 nan 8.230 nan 0.000 0.434 485 A N 0.134 122.590 122.820 -0.607 0.000 1.917 485 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 485 A C 2.270 179.675 177.584 -0.299 0.000 1.182 485 A CA 1.748 53.245 52.037 -0.900 0.000 0.633 485 A CB -0.809 17.738 19.000 -0.754 0.000 0.819 485 A HN 0.375 nan 8.150 nan 0.000 0.448 486 L N -1.021 120.118 121.223 -0.142 0.000 1.956 486 L HA -0.288 4.052 4.340 -0.000 0.000 0.216 486 L C 2.964 179.801 176.870 -0.054 0.000 1.073 486 L CA 1.811 56.636 54.840 -0.024 0.000 0.762 486 L CB -0.865 41.233 42.059 0.064 0.000 0.889 486 L HN 0.419 nan 8.230 nan 0.000 0.433 487 Q N 0.167 119.860 119.800 -0.178 0.000 2.133 487 Q HA -0.243 4.097 4.340 -0.000 0.000 0.208 487 Q C 1.087 177.029 176.000 -0.095 0.000 0.991 487 Q CA 1.850 57.532 55.803 -0.201 0.000 0.867 487 Q CB -0.434 28.051 28.738 -0.422 0.000 0.911 487 Q HN 0.581 nan 8.270 nan 0.000 0.417 488 D N -0.062 120.282 120.400 -0.092 0.000 2.434 488 D HA 0.107 4.747 4.640 -0.000 0.000 0.232 488 D C -0.220 176.183 176.300 0.172 0.000 1.166 488 D CA 0.059 54.061 54.000 0.004 0.000 0.830 488 D CB 0.335 41.131 40.800 -0.008 0.000 0.960 488 D HN -0.088 nan 8.370 nan 0.000 0.497 489 S N -0.608 115.205 115.700 0.188 0.000 2.693 489 S HA 0.686 5.156 4.470 -0.000 0.000 0.276 489 S C 0.947 175.638 174.600 0.151 0.000 1.192 489 S CA -0.698 57.687 58.200 0.308 0.000 0.994 489 S CB 1.557 64.883 63.200 0.210 0.000 1.012 489 S HN 0.284 nan 8.310 nan 0.000 0.550 490 G N 0.049 108.903 108.800 0.090 0.000 2.882 490 G HA2 0.355 4.315 3.960 -0.000 0.000 0.164 490 G HA3 0.355 4.315 3.960 -0.000 0.000 0.164 490 G C 0.811 175.722 174.900 0.019 0.000 1.429 490 G CA -0.364 44.760 45.100 0.040 0.000 1.059 490 G HN 0.670 nan 8.290 nan 0.000 0.581 491 L N -2.491 118.734 121.223 0.003 0.000 2.418 491 L HA 0.482 4.822 4.340 -0.000 0.000 0.218 491 L C 0.394 177.261 176.870 -0.005 0.000 1.125 491 L CA 0.692 55.532 54.840 -0.001 0.000 0.835 491 L CB -0.223 41.833 42.059 -0.004 0.000 0.953 491 L HN 0.273 nan 8.230 nan 0.000 0.454 492 E N -0.296 119.895 120.200 -0.016 0.000 2.343 492 E HA 0.673 5.023 4.350 -0.000 0.000 0.278 492 E C -1.570 175.000 176.600 -0.051 0.000 0.910 492 E CA -0.666 55.721 56.400 -0.022 0.000 0.757 492 E CB 3.266 32.951 29.700 -0.026 0.000 1.218 492 E HN -0.046 nan 8.360 nan 0.000 0.435 493 V N 1.880 121.770 119.914 -0.040 0.000 3.077 493 V HA 0.394 4.514 4.120 -0.000 0.000 0.299 493 V C -1.917 174.169 176.094 -0.014 0.000 1.276 493 V CA -0.712 61.536 62.300 -0.086 0.000 0.993 493 V CB 2.354 34.125 31.823 -0.086 0.000 1.076 493 V HN 0.694 nan 8.190 nan 0.000 0.434 494 N N 5.630 124.305 118.700 -0.042 0.000 3.091 494 N HA 0.444 5.184 4.740 -0.000 0.000 0.255 494 N C -0.433 175.130 175.510 0.088 0.000 1.204 494 N CA -0.084 53.025 53.050 0.098 0.000 0.990 494 N CB 0.736 39.212 38.487 -0.018 0.000 1.260 494 N HN 0.639 nan 8.380 nan 0.000 0.502 495 I N 0.626 121.248 120.570 0.087 0.000 2.648 495 I HA 0.038 4.208 4.170 -0.000 0.000 0.284 495 I C 0.329 176.445 176.117 -0.002 0.000 1.153 495 I CA -0.031 61.300 61.300 0.051 0.000 1.426 495 I CB 0.617 38.636 38.000 0.032 0.000 1.381 495 I HN -0.060 nan 8.210 nan 0.000 0.571 496 V N 5.420 125.298 119.914 -0.060 0.000 2.531 496 V HA 0.507 4.627 4.120 -0.000 0.000 0.301 496 V C -0.072 175.953 176.094 -0.115 0.000 1.034 496 V CA -0.406 61.804 62.300 -0.150 0.000 0.865 496 V CB 1.914 33.503 31.823 -0.389 0.000 0.995 496 V HN 0.858 nan 8.190 nan 0.000 0.424 497 T N 2.145 116.644 114.554 -0.092 0.000 2.916 497 T HA 0.407 4.757 4.350 -0.000 0.000 0.292 497 T C 0.364 174.991 174.700 -0.121 0.000 1.064 497 T CA -0.420 61.649 62.100 -0.052 0.000 1.011 497 T CB 2.083 70.958 68.868 0.012 0.000 1.152 497 T HN 0.821 nan 8.240 nan 0.000 0.510 498 D N -0.739 119.609 120.400 -0.086 0.000 2.455 498 D HA 0.003 4.643 4.640 -0.000 0.000 0.228 498 D C 0.907 177.281 176.300 0.124 0.000 1.070 498 D CA -0.002 53.884 54.000 -0.190 0.000 0.881 498 D CB -0.033 40.669 40.800 -0.163 0.000 1.087 498 D HN 0.397 nan 8.370 nan 0.000 0.498 499 S N 1.184 116.993 115.700 0.182 0.000 2.498 499 S HA -0.002 4.468 4.470 -0.000 0.000 0.314 499 S C 1.142 175.947 174.600 0.340 0.000 1.141 499 S CA -0.444 57.919 58.200 0.272 0.000 1.087 499 S CB 0.671 64.007 63.200 0.226 0.000 1.178 499 S HN 0.196 nan 8.310 nan 0.000 0.533 500 Q N 3.895 123.956 119.800 0.436 0.000 2.248 500 Q HA -0.220 4.120 4.340 -0.000 0.000 0.208 500 Q C 1.290 177.383 176.000 0.156 0.000 0.984 500 Q CA 1.765 57.701 55.803 0.221 0.000 0.875 500 Q CB -0.245 28.424 28.738 -0.115 0.000 0.910 500 Q HN 1.033 nan 8.270 nan 0.000 0.433 501 Y N 0.341 120.691 120.300 0.083 0.000 2.081 501 Y HA -0.286 4.264 4.550 -0.000 0.000 0.280 501 Y C 2.061 177.993 175.900 0.052 0.000 1.163 501 Y CA 1.990 60.125 58.100 0.059 0.000 1.135 501 Y CB -0.832 37.666 38.460 0.064 0.000 0.970 501 Y HN 0.149 nan 8.280 nan 0.000 0.498 502 A N 0.458 123.183 122.820 -0.159 0.000 1.933 502 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 502 A C 2.240 179.722 177.584 -0.170 0.000 1.175 502 A CA 1.729 53.594 52.037 -0.286 0.000 0.628 502 A CB -1.301 17.651 19.000 -0.080 0.000 0.814 502 A HN 0.595 nan 8.150 nan 0.000 0.444 503 L N 0.207 121.407 121.223 -0.038 0.000 1.970 503 L HA -0.065 4.274 4.340 -0.000 0.000 0.212 503 L C 2.413 179.254 176.870 -0.049 0.000 1.071 503 L CA 2.587 57.418 54.840 -0.014 0.000 0.751 503 L CB -1.327 40.770 42.059 0.064 0.000 0.889 503 L HN 0.304 nan 8.230 nan 0.000 0.432 504 G N 0.062 108.834 108.800 -0.045 0.000 2.545 504 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.217 504 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.217 504 G C 1.651 176.521 174.900 -0.051 0.000 1.218 504 G CA 1.328 46.412 45.100 -0.026 0.000 0.787 504 G HN 0.518 nan 8.290 nan 0.000 0.571 505 I N 1.110 121.595 120.570 -0.141 0.000 2.290 505 I HA -0.260 3.910 4.170 -0.000 0.000 0.253 505 I C 2.509 178.533 176.117 -0.155 0.000 1.112 505 I CA 0.994 62.166 61.300 -0.213 0.000 1.377 505 I CB -0.423 37.307 38.000 -0.449 0.000 1.060 505 I HN 0.175 nan 8.210 nan 0.000 0.428 506 I N 0.181 120.689 120.570 -0.104 0.000 2.296 506 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 506 I C 2.474 178.620 176.117 0.049 0.000 1.087 506 I CA 1.283 62.579 61.300 -0.007 0.000 1.393 506 I CB -1.657 36.334 38.000 -0.015 0.000 1.093 506 I HN 0.280 nan 8.210 nan 0.000 0.421 507 Q N 1.014 120.821 119.800 0.012 0.000 2.242 507 Q HA -0.229 4.111 4.340 -0.000 0.000 0.211 507 Q C 2.335 178.350 176.000 0.025 0.000 0.992 507 Q CA 2.208 58.017 55.803 0.010 0.000 0.889 507 Q CB -0.311 28.421 28.738 -0.010 0.000 0.913 507 Q HN 0.596 nan 8.270 nan 0.000 0.422 508 A N 0.377 123.222 122.820 0.042 0.000 2.032 508 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 508 A C 0.661 178.226 177.584 -0.032 0.000 1.165 508 A CA 1.461 53.528 52.037 0.050 0.000 0.645 508 A CB -0.110 18.931 19.000 0.070 0.000 0.807 508 A HN 0.538 nan 8.150 nan 0.000 0.453 509 Q N -2.913 116.838 119.800 -0.083 0.000 2.451 509 Q HA -0.105 4.235 4.340 -0.000 0.000 0.284 509 Q C -2.349 173.467 176.000 -0.305 0.000 1.326 509 Q CA 0.308 55.921 55.803 -0.317 0.000 0.762 509 Q CB -2.287 26.259 28.738 -0.320 0.000 1.160 509 Q HN 0.469 nan 8.270 nan 0.000 0.419 510 P HA -0.091 nan 4.420 nan 0.000 0.264 510 P C 0.464 177.784 177.300 0.034 0.000 1.179 510 P CA 0.885 63.995 63.100 0.017 0.000 0.763 510 P CB 0.517 32.275 31.700 0.097 0.000 0.806 511 D N 1.887 122.273 120.400 -0.023 0.000 2.597 511 D HA 0.032 4.672 4.640 -0.000 0.000 0.261 511 D C 0.161 176.507 176.300 0.077 0.000 1.023 511 D CA 0.572 54.547 54.000 -0.042 0.000 0.927 511 D CB 0.437 41.090 40.800 -0.246 0.000 1.168 511 D HN 0.385 nan 8.370 nan 0.000 0.491 512 K N -1.668 118.770 120.400 0.064 0.000 2.507 512 K HA 0.690 5.010 4.320 -0.000 0.000 0.284 512 K C -1.405 175.256 176.600 0.103 0.000 1.038 512 K CA -1.051 55.287 56.287 0.085 0.000 0.903 512 K CB 1.925 34.463 32.500 0.063 0.000 1.531 512 K HN -0.087 nan 8.250 nan 0.000 0.430 513 S N -0.955 114.803 115.700 0.097 0.000 2.608 513 S HA 0.050 4.520 4.470 -0.000 0.000 0.285 513 S C -0.603 174.039 174.600 0.070 0.000 1.108 513 S CA -0.587 57.681 58.200 0.114 0.000 0.858 513 S CB 1.647 65.000 63.200 0.255 0.000 1.077 513 S HN 0.850 nan 8.310 nan 0.000 0.450 514 E N 1.298 121.521 120.200 0.038 0.000 2.478 514 E HA 0.066 4.416 4.350 -0.000 0.000 0.198 514 E C -0.296 176.325 176.600 0.035 0.000 1.046 514 E CA 0.361 56.776 56.400 0.025 0.000 0.870 514 E CB 0.120 29.823 29.700 0.006 0.000 0.818 514 E HN 0.534 nan 8.360 nan 0.000 0.527 515 S N 1.865 117.604 115.700 0.065 0.000 2.400 515 S HA 0.096 4.566 4.470 -0.000 0.000 0.295 515 S C 0.632 175.263 174.600 0.051 0.000 1.113 515 S CA -0.587 57.663 58.200 0.083 0.000 1.064 515 S CB 1.324 64.635 63.200 0.186 0.000 0.990 515 S HN 0.165 nan 8.310 nan 0.000 0.502 516 E N 2.217 122.429 120.200 0.021 0.000 2.097 516 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 516 E C 1.778 178.340 176.600 -0.064 0.000 1.000 516 E CA 0.736 57.130 56.400 -0.011 0.000 0.804 516 E CB -0.116 29.580 29.700 -0.006 0.000 0.740 516 E HN 0.577 nan 8.360 nan 0.000 0.454 517 L N 0.784 121.972 121.223 -0.059 0.000 1.970 517 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 517 L C 2.402 179.158 176.870 -0.190 0.000 1.071 517 L CA 1.547 56.306 54.840 -0.134 0.000 0.751 517 L CB -0.921 41.105 42.059 -0.056 0.000 0.889 517 L HN -0.002 nan 8.230 nan 0.000 0.432 518 V N 0.425 120.281 119.914 -0.098 0.000 2.343 518 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 518 V C 2.354 178.384 176.094 -0.106 0.000 1.051 518 V CA 1.977 64.204 62.300 -0.121 0.000 1.036 518 V CB -1.025 30.732 31.823 -0.110 0.000 0.654 518 V HN 0.544 nan 8.190 nan 0.000 0.451 519 N N -0.137 118.530 118.700 -0.055 0.000 2.061 519 N HA -0.250 4.490 4.740 -0.000 0.000 0.193 519 N C 1.938 177.391 175.510 -0.095 0.000 1.030 519 N CA 1.944 54.974 53.050 -0.033 0.000 0.856 519 N CB -0.129 38.353 38.487 -0.009 0.000 1.023 519 N HN 0.579 nan 8.380 nan 0.000 0.424 520 Q N 0.053 119.734 119.800 -0.199 0.000 1.975 520 Q HA -0.174 4.166 4.340 -0.000 0.000 0.205 520 Q C 2.214 178.038 176.000 -0.294 0.000 0.990 520 Q CA 1.860 57.476 55.803 -0.311 0.000 0.845 520 Q CB -0.302 28.020 28.738 -0.693 0.000 0.913 520 Q HN 0.491 nan 8.270 nan 0.000 0.420 521 I N 0.748 121.096 120.570 -0.370 0.000 2.113 521 I HA -0.383 3.787 4.170 -0.000 0.000 0.242 521 I C 2.330 178.320 176.117 -0.212 0.000 1.057 521 I CA 1.451 62.614 61.300 -0.229 0.000 1.314 521 I CB -0.590 37.289 38.000 -0.201 0.000 1.022 521 I HN 0.247 nan 8.210 nan 0.000 0.408 522 I N 0.159 120.620 120.570 -0.181 0.000 2.069 522 I HA -0.308 3.862 4.170 -0.000 0.000 0.237 522 I C 2.691 178.733 176.117 -0.126 0.000 1.053 522 I CA 1.478 62.678 61.300 -0.166 0.000 1.311 522 I CB -0.671 37.373 38.000 0.073 0.000 1.030 522 I HN 0.242 nan 8.210 nan 0.000 0.398 523 E N 0.555 120.730 120.200 -0.042 0.000 2.136 523 E HA -0.363 3.986 4.350 -0.000 0.000 0.202 523 E C 2.375 178.943 176.600 -0.054 0.000 1.019 523 E CA 2.492 58.876 56.400 -0.027 0.000 0.819 523 E CB -0.279 29.411 29.700 -0.017 0.000 0.739 523 E HN 0.691 nan 8.360 nan 0.000 0.458 524 Q N 0.451 120.219 119.800 -0.053 0.000 2.020 524 Q HA -0.085 4.255 4.340 -0.000 0.000 0.198 524 Q C 2.331 178.276 176.000 -0.091 0.000 0.974 524 Q CA 1.341 57.127 55.803 -0.028 0.000 0.829 524 Q CB -0.862 27.913 28.738 0.062 0.000 0.894 524 Q HN 0.154 nan 8.270 nan 0.000 0.433 525 L N 0.676 121.778 121.223 -0.202 0.000 2.089 525 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 525 L C 2.516 179.282 176.870 -0.174 0.000 1.079 525 L CA 1.722 56.380 54.840 -0.303 0.000 0.758 525 L CB -0.980 40.596 42.059 -0.805 0.000 0.891 525 L HN 0.555 nan 8.230 nan 0.000 0.433 526 I N -0.675 119.818 120.570 -0.128 0.000 2.052 526 I HA -0.417 3.753 4.170 -0.000 0.000 0.235 526 I C 2.598 178.690 176.117 -0.041 0.000 1.046 526 I CA 1.899 63.189 61.300 -0.017 0.000 1.308 526 I CB -0.445 37.508 38.000 -0.078 0.000 1.031 526 I HN 0.261 nan 8.210 nan 0.000 0.395 527 K N 1.649 122.013 120.400 -0.061 0.000 2.063 527 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 527 K C 0.420 177.004 176.600 -0.026 0.000 1.048 527 K CA 1.109 57.367 56.287 -0.048 0.000 0.928 527 K CB -0.038 32.437 32.500 -0.042 0.000 0.713 527 K HN 0.179 nan 8.250 nan 0.000 0.442 528 K N 2.022 122.408 120.400 -0.023 0.000 2.453 528 K HA -0.113 4.207 4.320 -0.000 0.000 0.280 528 K C 0.719 177.321 176.600 0.003 0.000 1.045 528 K CA 0.025 56.306 56.287 -0.010 0.000 1.059 528 K CB 0.882 33.374 32.500 -0.013 0.000 0.901 528 K HN 0.261 nan 8.250 nan 0.000 0.475 529 E N 2.950 123.153 120.200 0.005 0.000 2.013 529 E HA -0.215 4.135 4.350 -0.000 0.000 0.202 529 E C 0.130 176.743 176.600 0.023 0.000 1.018 529 E CA 1.772 58.178 56.400 0.011 0.000 0.834 529 E CB 0.233 29.936 29.700 0.004 0.000 0.770 529 E HN 0.502 nan 8.360 nan 0.000 0.459 530 K N 0.426 120.838 120.400 0.020 0.000 2.413 530 K HA 0.539 4.858 4.320 -0.000 0.000 0.257 530 K C -1.174 175.451 176.600 0.041 0.000 0.946 530 K CA -0.488 55.819 56.287 0.033 0.000 0.823 530 K CB 2.018 34.532 32.500 0.022 0.000 1.109 530 K HN 0.084 nan 8.250 nan 0.000 0.427 531 V N 3.332 123.284 119.914 0.062 0.000 2.443 531 V HA 0.484 4.604 4.120 -0.000 0.000 0.293 531 V C -1.047 175.113 176.094 0.110 0.000 1.021 531 V CA -0.991 61.348 62.300 0.066 0.000 0.848 531 V CB 0.834 32.675 31.823 0.029 0.000 0.998 531 V HN 0.892 nan 8.190 nan 0.000 0.424 532 Y N 5.782 126.072 120.300 -0.016 0.000 2.568 532 Y HA 0.890 5.440 4.550 -0.000 0.000 0.327 532 Y C -1.088 174.802 175.900 -0.017 0.000 1.163 532 Y CA -1.301 56.788 58.100 -0.017 0.000 1.219 532 Y CB 1.784 40.225 38.460 -0.031 0.000 1.308 532 Y HN 0.526 nan 8.280 nan 0.000 0.503 533 L N 2.842 123.462 121.223 -1.005 0.000 2.641 533 L HA 0.762 5.102 4.340 -0.000 0.000 0.261 533 L C -1.636 174.811 176.870 -0.704 0.000 0.926 533 L CA -0.400 54.084 54.840 -0.593 0.000 0.917 533 L CB 1.315 43.206 42.059 -0.279 0.000 1.361 533 L HN 0.859 nan 8.230 nan 0.000 0.417 534 A N 3.216 125.853 122.820 -0.305 0.000 2.430 534 A HA 0.870 5.190 4.320 -0.000 0.000 0.300 534 A C -2.206 175.397 177.584 0.032 0.000 1.124 534 A CA -0.552 51.428 52.037 -0.097 0.000 0.766 534 A CB 1.390 20.430 19.000 0.066 0.000 1.328 534 A HN 0.795 nan 8.150 nan 0.000 0.424 535 W N 1.053 122.315 121.300 -0.062 0.000 2.702 535 W HA 0.641 5.300 4.660 -0.000 0.000 0.331 535 W C -1.783 174.730 176.519 -0.009 0.000 1.049 535 W CA -0.427 56.898 57.345 -0.034 0.000 1.230 535 W CB 1.735 31.181 29.460 -0.023 0.000 1.408 535 W HN 0.528 nan 8.180 nan 0.000 0.492 536 V N 7.503 126.685 119.914 -1.220 0.000 2.789 536 V HA 0.484 4.604 4.120 -0.000 0.000 0.311 536 V C -1.963 173.221 176.094 -1.517 0.000 1.073 536 V CA -2.145 59.477 62.300 -1.130 0.000 0.921 536 V CB 2.310 33.843 31.823 -0.482 0.000 1.009 536 V HN 0.436 nan 8.190 nan 0.000 0.426 537 P HA 0.195 nan 4.420 nan 0.000 0.276 537 P C 0.278 177.439 177.300 -0.232 0.000 1.235 537 P CA -0.025 62.772 63.100 -0.504 0.000 0.772 537 P CB 1.558 33.198 31.700 -0.101 0.000 0.871 538 A N 3.649 126.394 122.820 -0.125 0.000 1.929 538 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 538 A C 1.824 179.366 177.584 -0.071 0.000 1.176 538 A CA 1.246 53.214 52.037 -0.116 0.000 0.628 538 A CB -1.268 17.645 19.000 -0.144 0.000 0.816 538 A HN 0.585 nan 8.150 nan 0.000 0.444 539 H N -0.637 118.445 119.070 0.020 0.000 2.551 539 H HA 0.113 4.669 4.556 -0.000 0.000 0.266 539 H C 2.209 177.549 175.328 0.020 0.000 0.977 539 H CA 1.316 57.380 56.048 0.027 0.000 1.163 539 H CB 0.173 29.960 29.762 0.041 0.000 1.381 539 H HN 0.625 nan 8.280 nan 0.000 0.581 540 K N 0.334 120.805 120.400 0.118 0.000 2.262 540 K HA 0.196 4.516 4.320 -0.000 0.000 0.200 540 K C 1.406 178.036 176.600 0.049 0.000 1.049 540 K CA 0.708 57.039 56.287 0.074 0.000 0.979 540 K CB -0.494 32.038 32.500 0.054 0.000 0.773 540 K HN 0.396 nan 8.250 nan 0.000 0.474 541 G N 0.945 109.765 108.800 0.034 0.000 2.368 541 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.290 541 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.290 541 G C -0.269 174.647 174.900 0.026 0.000 1.098 541 G CA 0.097 45.213 45.100 0.027 0.000 1.073 541 G HN 0.451 nan 8.290 nan 0.000 0.511 542 I N 1.096 121.680 120.570 0.023 0.000 2.395 542 I HA 0.602 4.772 4.170 -0.000 0.000 0.289 542 I C 1.540 177.718 176.117 0.102 0.000 1.023 542 I CA 1.038 62.361 61.300 0.040 0.000 1.350 542 I CB 0.811 38.816 38.000 0.009 0.000 1.409 542 I HN 1.147 nan 8.210 nan 0.000 0.507 543 G N 4.466 113.322 108.800 0.095 0.000 2.581 543 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.291 543 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.291 543 G C 1.008 175.904 174.900 -0.008 0.000 1.277 543 G CA 0.151 45.322 45.100 0.119 0.000 0.959 543 G HN 1.151 nan 8.290 nan 0.000 0.554 544 G N -0.045 108.521 108.800 -0.390 0.000 2.564 544 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 544 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 544 G C 1.403 176.179 174.900 -0.206 0.000 1.124 544 G CA 1.554 46.164 45.100 -0.816 0.000 0.764 544 G HN 1.023 nan 8.290 nan 0.000 0.550 545 N N 0.664 119.445 118.700 0.135 0.000 2.069 545 N HA -0.134 4.606 4.740 -0.000 0.000 0.191 545 N C 2.376 177.907 175.510 0.034 0.000 1.031 545 N CA 2.314 55.441 53.050 0.130 0.000 0.852 545 N CB -0.323 38.217 38.487 0.088 0.000 1.018 545 N HN 0.371 nan 8.380 nan 0.000 0.423 546 E N -0.633 119.571 120.200 0.007 0.000 2.160 546 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 546 E C 2.100 178.690 176.600 -0.017 0.000 0.991 546 E CA 1.998 58.397 56.400 -0.002 0.000 0.810 546 E CB -1.654 28.044 29.700 -0.003 0.000 0.742 546 E HN 0.787 nan 8.360 nan 0.000 0.466 547 Q N 0.094 119.866 119.800 -0.047 0.000 1.969 547 Q HA 0.030 4.370 4.340 -0.000 0.000 0.198 547 Q C 2.789 178.771 176.000 -0.030 0.000 0.978 547 Q CA 1.883 57.652 55.803 -0.056 0.000 0.830 547 Q CB -1.111 27.562 28.738 -0.108 0.000 0.896 547 Q HN 0.708 nan 8.270 nan 0.000 0.431 548 V N 1.743 121.648 119.914 -0.014 0.000 2.380 548 V HA -0.309 3.811 4.120 -0.000 0.000 0.251 548 V C 2.212 178.316 176.094 0.017 0.000 1.063 548 V CA 2.043 64.355 62.300 0.020 0.000 1.055 548 V CB -0.872 30.998 31.823 0.078 0.000 0.657 548 V HN 0.629 nan 8.190 nan 0.000 0.455 549 D N 0.985 121.393 120.400 0.014 0.000 2.156 549 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 549 D C 2.409 178.713 176.300 0.007 0.000 0.998 549 D CA 2.564 56.570 54.000 0.010 0.000 0.842 549 D CB -0.258 40.548 40.800 0.009 0.000 0.974 549 D HN 0.463 nan 8.370 nan 0.000 0.447 550 K N 0.369 120.770 120.400 0.002 0.000 2.103 550 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 550 K C 2.228 178.826 176.600 -0.004 0.000 1.048 550 K CA 1.582 57.869 56.287 -0.000 0.000 0.930 550 K CB -1.221 31.276 32.500 -0.005 0.000 0.716 550 K HN 0.268 nan 8.250 nan 0.000 0.444 551 L N 0.404 121.622 121.223 -0.008 0.000 1.989 551 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 551 L C 2.461 179.326 176.870 -0.007 0.000 1.071 551 L CA 1.821 56.653 54.840 -0.014 0.000 0.749 551 L CB -0.249 41.798 42.059 -0.020 0.000 0.890 551 L HN 0.186 nan 8.230 nan 0.000 0.431 552 V N -0.813 119.103 119.914 0.004 0.000 2.626 552 V HA -0.044 4.076 4.120 -0.000 0.000 0.252 552 V C 0.826 176.925 176.094 0.008 0.000 1.067 552 V CA 1.059 63.365 62.300 0.009 0.000 1.081 552 V CB -0.981 30.854 31.823 0.020 0.000 0.686 552 V HN 0.689 nan 8.190 nan 0.000 0.468 553 S N -0.510 115.194 115.700 0.007 0.000 2.668 553 S HA 0.715 5.185 4.470 -0.000 0.000 0.277 553 S C -0.476 174.128 174.600 0.006 0.000 1.170 553 S CA -0.046 58.158 58.200 0.008 0.000 0.994 553 S CB 1.766 64.973 63.200 0.012 0.000 1.051 553 S HN 0.353 nan 8.310 nan 0.000 0.484 554 A N 2.081 124.904 122.820 0.004 0.000 3.118 554 A HA 0.664 4.983 4.320 -0.000 0.000 0.256 554 A C 1.571 179.160 177.584 0.007 0.000 1.667 554 A CA 0.015 52.054 52.037 0.004 0.000 1.338 554 A CB -1.710 17.290 19.000 0.000 0.000 1.127 554 A HN 2.437 nan 8.150 nan 0.000 0.634 555 G N -0.419 108.388 108.800 0.012 0.000 2.299 555 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.237 555 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.237 555 G C 0.203 175.113 174.900 0.017 0.000 1.027 555 G CA 0.378 45.487 45.100 0.016 0.000 0.619 555 G HN 1.354 nan 8.290 nan 0.000 0.513 556 I N -1.256 119.322 120.570 0.013 0.000 2.897 556 I HA 0.685 4.854 4.170 -0.000 0.000 0.299 556 I C -0.343 175.780 176.117 0.010 0.000 1.527 556 I CA -0.351 60.956 61.300 0.013 0.000 0.979 556 I CB 1.302 39.310 38.000 0.013 0.000 1.360 556 I HN 0.659 nan 8.210 nan 0.000 0.495 557 R N 3.462 123.969 120.500 0.011 0.000 2.720 557 R HA 1.023 5.363 4.340 -0.000 0.000 0.272 557 R C -0.638 175.667 176.300 0.008 0.000 0.991 557 R CA 0.239 56.345 56.100 0.009 0.000 1.010 557 R CB 1.189 31.496 30.300 0.012 0.000 1.141 557 R HN 1.086 nan 8.270 nan 0.000 0.494 558 K N 0.000 120.404 120.400 0.006 0.000 2.780 558 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 558 K CA 0.000 56.290 56.287 0.005 0.000 0.838 558 K CB 0.000 32.503 32.500 0.004 0.000 1.064 558 K HN 0.000 nan 8.250 nan 0.000 0.543