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 3dlg_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKXXXXXK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSIXXETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX 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 RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAH 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 0.000 177.338 177.300 0.064 0.000 1.155 1 P CA 0.000 63.124 63.100 0.040 0.000 0.800 1 P CB 0.000 31.723 31.700 0.038 0.000 0.726 2 I N 0.450 121.056 120.570 0.059 0.000 2.713 2 I HA 0.338 4.522 4.170 0.023 0.000 0.300 2 I C 0.668 176.851 176.117 0.110 0.000 1.009 2 I CA -0.463 60.882 61.300 0.075 0.000 1.305 2 I CB 1.323 39.354 38.000 0.052 0.000 1.430 2 I HN 0.266 nan 8.210 nan 0.000 0.546 3 S N 4.710 120.501 115.700 0.152 0.000 2.525 3 S HA 0.267 4.751 4.470 0.023 0.000 0.278 3 S C -1.971 172.748 174.600 0.199 0.000 1.234 3 S CA -0.956 57.379 58.200 0.225 0.000 1.058 3 S CB 1.128 64.534 63.200 0.343 0.000 0.983 3 S HN 0.475 nan 8.310 nan 0.000 0.495 4 P HA 0.238 nan 4.420 nan 0.000 0.237 4 P C -0.575 176.890 177.300 0.275 0.000 1.723 4 P CA 0.162 63.358 63.100 0.159 0.000 0.882 4 P CB -0.352 31.373 31.700 0.042 0.000 1.810 5 I N -0.589 120.146 120.570 0.274 0.000 2.493 5 I HA 0.278 4.462 4.170 0.023 0.000 0.298 5 I C 0.630 176.838 176.117 0.152 0.000 0.998 5 I CA -1.087 60.370 61.300 0.262 0.000 1.137 5 I CB 1.811 39.941 38.000 0.216 0.000 1.310 5 I HN -0.176 nan 8.210 nan 0.000 0.445 6 E N 3.697 123.978 120.200 0.135 0.000 2.492 6 E HA -0.036 4.328 4.350 0.023 0.000 0.266 6 E C -0.467 176.179 176.600 0.077 0.000 1.047 6 E CA 0.328 56.785 56.400 0.096 0.000 0.968 6 E CB 0.674 30.427 29.700 0.088 0.000 0.960 6 E HN 0.655 nan 8.360 nan 0.000 0.452 7 T N -1.585 113.010 114.554 0.068 0.000 2.918 7 T HA 0.465 4.829 4.350 0.023 0.000 0.283 7 T C 0.132 174.870 174.700 0.064 0.000 1.001 7 T CA -0.977 61.160 62.100 0.061 0.000 1.041 7 T CB 1.256 70.160 68.868 0.061 0.000 1.028 7 T HN 0.103 nan 8.240 nan 0.000 0.511 8 V N 4.014 123.969 119.914 0.069 0.000 2.439 8 V HA 0.384 4.518 4.120 0.023 0.000 0.282 8 V C -1.895 174.254 176.094 0.091 0.000 1.039 8 V CA -2.020 60.328 62.300 0.081 0.000 0.913 8 V CB 1.080 32.959 31.823 0.094 0.000 0.983 8 V HN 0.855 nan 8.190 nan 0.000 0.460 9 P HA 0.153 nan 4.420 nan 0.000 0.269 9 P C -0.599 176.748 177.300 0.078 0.000 1.263 9 P CA 0.219 63.367 63.100 0.081 0.000 0.813 9 P CB 0.856 32.595 31.700 0.065 0.000 0.868 10 V N 5.416 125.371 119.914 0.068 0.000 2.612 10 V HA 0.406 4.539 4.120 0.023 0.000 0.301 10 V C 0.609 176.714 176.094 0.020 0.000 1.046 10 V CA -0.325 61.963 62.300 -0.021 0.000 0.946 10 V CB 1.805 33.489 31.823 -0.231 0.000 1.003 10 V HN 0.478 nan 8.190 nan 0.000 0.459 11 K N 3.229 123.612 120.400 -0.027 0.000 2.480 11 K HA 0.676 5.010 4.320 0.023 0.000 0.258 11 K C -1.548 175.108 176.600 0.093 0.000 0.990 11 K CA -0.902 55.439 56.287 0.090 0.000 0.857 11 K CB 2.525 35.039 32.500 0.023 0.000 1.384 11 K HN 0.370 nan 8.250 nan 0.000 0.446 12 L N 1.821 123.097 121.223 0.089 0.000 2.357 12 L HA 0.355 4.709 4.340 0.023 0.000 0.273 12 L C 0.281 177.138 176.870 -0.022 0.000 1.080 12 L CA -0.675 54.181 54.840 0.026 0.000 0.803 12 L CB 0.880 42.842 42.059 -0.161 0.000 1.174 12 L HN 0.404 nan 8.230 nan 0.000 0.443 13 K N 2.233 122.619 120.400 -0.022 0.000 2.542 13 K HA -0.036 4.298 4.320 0.023 0.000 0.276 13 K C -2.183 174.403 176.600 -0.023 0.000 0.963 13 K CA -1.029 55.238 56.287 -0.032 0.000 0.975 13 K CB -0.160 32.327 32.500 -0.021 0.000 0.901 13 K HN 0.292 nan 8.250 nan 0.000 0.506 14 P HA -0.212 nan 4.420 nan 0.000 0.241 14 P C 0.543 177.842 177.300 -0.002 0.000 1.093 14 P CA 1.666 64.760 63.100 -0.010 0.000 0.843 14 P CB -0.270 31.424 31.700 -0.010 0.000 0.760 15 G N 2.678 111.480 108.800 0.002 0.000 2.353 15 G HA2 -0.362 3.611 3.960 0.023 0.000 0.258 15 G HA3 -0.362 3.611 3.960 0.023 0.000 0.258 15 G C 0.447 175.355 174.900 0.014 0.000 1.013 15 G CA 0.274 45.381 45.100 0.012 0.000 0.622 15 G HN 0.451 nan 8.290 nan 0.000 0.535 16 M N 0.647 120.250 119.600 0.005 0.000 2.245 16 M HA 0.407 4.901 4.480 0.023 0.000 0.312 16 M C 0.484 176.781 176.300 -0.004 0.000 1.070 16 M CA 0.570 55.875 55.300 0.008 0.000 1.162 16 M CB 0.251 32.853 32.600 0.004 0.000 1.448 16 M HN 0.311 nan 8.290 nan 0.000 0.446 17 D N -0.050 120.367 120.400 0.028 0.000 2.467 17 D HA 0.526 5.180 4.640 0.023 0.000 0.245 17 D C -0.294 176.023 176.300 0.029 0.000 1.038 17 D CA -0.233 53.804 54.000 0.063 0.000 1.038 17 D CB 1.306 42.221 40.800 0.192 0.000 1.278 17 D HN 0.628 nan 8.370 nan 0.000 0.564 18 G N 0.473 109.293 108.800 0.034 0.000 2.554 18 G HA2 0.338 4.311 3.960 0.023 0.000 0.238 18 G HA3 0.338 4.311 3.960 0.023 0.000 0.238 18 G C -2.343 172.757 174.900 0.334 0.000 1.259 18 G CA -0.728 44.325 45.100 -0.078 0.000 0.843 18 G HN 0.357 nan 8.290 nan 0.000 0.582 19 P HA 0.227 nan 4.420 nan 0.000 0.271 19 P C -0.417 177.059 177.300 0.294 0.000 1.218 19 P CA 0.032 63.285 63.100 0.255 0.000 0.780 19 P CB 0.666 32.501 31.700 0.224 0.000 0.901 20 K N 1.145 121.657 120.400 0.186 0.000 3.146 20 K HA 0.282 4.616 4.320 0.023 0.000 0.168 20 K C -1.148 175.500 176.600 0.080 0.000 1.075 20 K CA -0.378 55.981 56.287 0.120 0.000 0.843 20 K CB 0.777 33.319 32.500 0.070 0.000 1.002 20 K HN 0.140 nan 8.250 nan 0.000 0.597 21 V N 1.779 121.749 119.914 0.093 0.000 2.432 21 V HA 0.142 4.276 4.120 0.023 0.000 0.271 21 V C 0.505 176.622 176.094 0.039 0.000 1.046 21 V CA -0.712 61.628 62.300 0.066 0.000 0.945 21 V CB 0.965 32.843 31.823 0.092 0.000 0.992 21 V HN 0.400 nan 8.190 nan 0.000 0.471 22 K N 3.412 123.815 120.400 0.004 0.000 2.484 22 K HA 0.014 4.348 4.320 0.023 0.000 0.280 22 K C 0.296 176.895 176.600 -0.001 0.000 1.013 22 K CA -0.197 56.080 56.287 -0.016 0.000 1.029 22 K CB 0.362 32.829 32.500 -0.055 0.000 0.902 22 K HN 0.690 nan 8.250 nan 0.000 0.481 23 Q N 4.825 124.633 119.800 0.012 0.000 2.286 23 Q HA -0.043 4.310 4.340 0.023 0.000 0.265 23 Q C -1.199 174.859 176.000 0.097 0.000 1.080 23 Q CA 0.037 55.861 55.803 0.035 0.000 0.906 23 Q CB 0.330 29.081 28.738 0.021 0.000 1.227 23 Q HN 0.462 nan 8.270 nan 0.000 0.409 24 W N 8.205 129.486 121.300 -0.032 0.000 2.417 24 W HA 0.088 4.762 4.660 0.023 0.000 0.332 24 W C -2.112 174.422 176.519 0.024 0.000 1.413 24 W CA -1.761 55.619 57.345 0.058 0.000 1.299 24 W CB 0.255 29.863 29.460 0.247 0.000 1.304 24 W HN 0.593 nan 8.180 nan 0.000 0.565 25 P HA 0.122 nan 4.420 nan 0.000 0.268 25 P C -0.654 176.747 177.300 0.168 0.000 1.205 25 P CA 0.422 63.631 63.100 0.182 0.000 0.771 25 P CB 1.266 33.047 31.700 0.135 0.000 0.858 26 L N 1.266 122.534 121.223 0.074 0.000 2.256 26 L HA 0.543 4.897 4.340 0.023 0.000 0.261 26 L C 1.131 178.002 176.870 0.001 0.000 1.022 26 L CA -0.940 53.913 54.840 0.021 0.000 0.828 26 L CB 1.709 43.742 42.059 -0.042 0.000 1.374 26 L HN 0.352 nan 8.230 nan 0.000 0.436 27 T N -3.847 110.692 114.554 -0.026 0.000 2.882 27 T HA 0.097 4.460 4.350 0.023 0.000 0.287 27 T C 0.805 175.484 174.700 -0.035 0.000 1.014 27 T CA -0.475 61.616 62.100 -0.015 0.000 1.049 27 T CB 1.431 70.298 68.868 -0.001 0.000 1.001 27 T HN 0.799 nan 8.240 nan 0.000 0.525 28 E N 0.513 120.706 120.200 -0.013 0.000 2.160 28 E HA -0.277 4.086 4.350 0.023 0.000 0.195 28 E C 1.740 178.324 176.600 -0.026 0.000 0.991 28 E CA 1.530 57.921 56.400 -0.015 0.000 0.810 28 E CB -0.055 29.646 29.700 0.002 0.000 0.742 28 E HN 0.898 nan 8.360 nan 0.000 0.466 29 E N 0.413 120.605 120.200 -0.014 0.000 2.110 29 E HA -0.191 4.173 4.350 0.023 0.000 0.193 29 E C 1.877 178.402 176.600 -0.124 0.000 0.988 29 E CA 1.094 57.496 56.400 0.004 0.000 0.804 29 E CB 0.145 29.900 29.700 0.092 0.000 0.745 29 E HN 0.215 nan 8.360 nan 0.000 0.458 30 K N 0.018 120.269 120.400 -0.249 0.000 2.116 30 K HA -0.005 4.329 4.320 0.023 0.000 0.203 30 K C 2.230 178.637 176.600 -0.322 0.000 1.052 30 K CA 0.811 56.789 56.287 -0.515 0.000 0.952 30 K CB 0.035 32.218 32.500 -0.528 0.000 0.729 30 K HN 0.190 nan 8.250 nan 0.000 0.446 31 I N 1.580 122.047 120.570 -0.171 0.000 2.179 31 I HA -0.296 3.888 4.170 0.023 0.000 0.242 31 I C 2.187 178.259 176.117 -0.075 0.000 1.088 31 I CA 1.405 62.646 61.300 -0.099 0.000 1.357 31 I CB -0.286 37.683 38.000 -0.053 0.000 1.051 31 I HN 0.083 nan 8.210 nan 0.000 0.409 32 K N 1.006 121.369 120.400 -0.062 0.000 2.063 32 K HA -0.194 4.140 4.320 0.023 0.000 0.208 32 K C 2.284 178.867 176.600 -0.027 0.000 1.048 32 K CA 1.690 57.961 56.287 -0.027 0.000 0.928 32 K CB -0.323 32.175 32.500 -0.005 0.000 0.713 32 K HN 0.355 nan 8.250 nan 0.000 0.442 33 A N 1.152 123.927 122.820 -0.074 0.000 1.933 33 A HA -0.118 4.216 4.320 0.023 0.000 0.218 33 A C 2.079 179.635 177.584 -0.047 0.000 1.175 33 A CA 1.200 53.208 52.037 -0.049 0.000 0.628 33 A CB -0.472 18.436 19.000 -0.153 0.000 0.814 33 A HN 0.159 nan 8.150 nan 0.000 0.444 34 L N -0.816 120.354 121.223 -0.087 0.000 2.072 34 L HA -0.105 4.248 4.340 0.023 0.000 0.205 34 L C 2.476 179.358 176.870 0.019 0.000 1.079 34 L CA 0.776 55.590 54.840 -0.043 0.000 0.752 34 L CB -0.496 41.531 42.059 -0.053 0.000 0.906 34 L HN 0.220 nan 8.230 nan 0.000 0.436 35 V N 0.094 120.025 119.914 0.028 0.000 2.469 35 V HA -0.311 3.823 4.120 0.023 0.000 0.251 35 V C 2.440 178.566 176.094 0.054 0.000 1.064 35 V CA 1.981 64.321 62.300 0.066 0.000 1.066 35 V CB -0.413 31.434 31.823 0.040 0.000 0.667 35 V HN 0.507 nan 8.190 nan 0.000 0.461 36 E N 0.104 120.321 120.200 0.029 0.000 2.016 36 E HA -0.155 4.209 4.350 0.023 0.000 0.190 36 E C 2.280 178.887 176.600 0.011 0.000 0.985 36 E CA 1.287 57.702 56.400 0.025 0.000 0.802 36 E CB -0.145 29.573 29.700 0.030 0.000 0.762 36 E HN 0.548 nan 8.360 nan 0.000 0.448 37 I N 0.980 121.553 120.570 0.006 0.000 2.248 37 I HA -0.375 3.808 4.170 0.023 0.000 0.248 37 I C 2.512 178.596 176.117 -0.054 0.000 1.107 37 I CA 0.919 62.211 61.300 -0.013 0.000 1.373 37 I CB -0.306 37.688 38.000 -0.009 0.000 1.055 37 I HN 0.373 nan 8.210 nan 0.000 0.418 38 C N 0.048 119.311 119.300 -0.062 0.000 2.446 38 C HA -0.085 4.388 4.460 0.023 0.000 0.279 38 C C 2.914 177.803 174.990 -0.169 0.000 1.366 38 C CA 1.147 60.057 59.018 -0.181 0.000 1.763 38 C CB -1.014 26.630 27.740 -0.160 0.000 1.929 38 C HN 0.509 nan 8.230 nan 0.000 0.509 39 T N 0.574 115.111 114.554 -0.028 0.000 2.904 39 T HA -0.135 4.229 4.350 0.023 0.000 0.267 39 T C 1.716 176.402 174.700 -0.024 0.000 1.059 39 T CA 1.573 63.679 62.100 0.010 0.000 1.137 39 T CB -0.190 68.701 68.868 0.038 0.000 0.879 39 T HN 0.612 nan 8.240 nan 0.000 0.467 40 E N 1.662 121.841 120.200 -0.035 0.000 2.072 40 E HA 0.000 4.364 4.350 0.023 0.000 0.191 40 E C 2.027 178.593 176.600 -0.056 0.000 0.985 40 E CA 1.268 57.648 56.400 -0.034 0.000 0.801 40 E CB -0.370 29.315 29.700 -0.025 0.000 0.750 40 E HN 0.431 nan 8.360 nan 0.000 0.452 41 M N 0.084 119.626 119.600 -0.097 0.000 2.319 41 M HA -0.055 4.438 4.480 0.023 0.000 0.265 41 M C 2.272 178.494 176.300 -0.130 0.000 1.068 41 M CA 1.436 56.663 55.300 -0.122 0.000 1.118 41 M CB -0.144 32.345 32.600 -0.186 0.000 1.395 41 M HN 0.221 nan 8.290 nan 0.000 0.435 42 E N 1.607 121.725 120.200 -0.137 0.000 2.072 42 E HA -0.229 4.135 4.350 0.023 0.000 0.191 42 E C 1.899 178.479 176.600 -0.032 0.000 0.985 42 E CA 1.393 57.743 56.400 -0.083 0.000 0.801 42 E CB 0.084 29.774 29.700 -0.016 0.000 0.750 42 E HN 0.563 nan 8.360 nan 0.000 0.452 43 K N 0.255 120.639 120.400 -0.025 0.000 2.155 43 K HA -0.108 4.225 4.320 0.023 0.000 0.203 43 K C 1.641 178.232 176.600 -0.014 0.000 1.052 43 K CA 1.419 57.699 56.287 -0.012 0.000 0.948 43 K CB -0.061 32.434 32.500 -0.007 0.000 0.728 43 K HN 0.095 nan 8.250 nan 0.000 0.448 44 E N 0.294 120.480 120.200 -0.023 0.000 2.347 44 E HA -0.034 4.330 4.350 0.023 0.000 0.196 44 E C 0.812 177.405 176.600 -0.012 0.000 1.008 44 E CA 0.555 56.946 56.400 -0.017 0.000 0.852 44 E CB 0.026 29.712 29.700 -0.022 0.000 0.783 44 E HN 0.702 nan 8.360 nan 0.000 0.505 45 G N 1.358 110.147 108.800 -0.019 0.000 2.175 45 G HA2 -0.318 3.656 3.960 0.023 0.000 0.244 45 G HA3 -0.318 3.656 3.960 0.023 0.000 0.244 45 G C 0.884 175.776 174.900 -0.013 0.000 0.982 45 G CA 0.495 45.589 45.100 -0.010 0.000 0.641 45 G HN 0.207 nan 8.290 nan 0.000 0.527 46 K N -0.144 120.236 120.400 -0.033 0.000 2.103 46 K HA 0.202 4.535 4.320 0.023 0.000 0.204 46 K C 1.469 178.017 176.600 -0.086 0.000 1.052 46 K CA 1.494 57.762 56.287 -0.031 0.000 0.945 46 K CB 0.034 32.511 32.500 -0.038 0.000 0.722 46 K HN 0.790 nan 8.250 nan 0.000 0.443 47 I N -3.039 117.438 120.570 -0.155 0.000 2.892 47 I HA 0.378 4.562 4.170 0.023 0.000 0.306 47 I C -0.911 175.164 176.117 -0.070 0.000 1.078 47 I CA -0.954 60.230 61.300 -0.192 0.000 1.032 47 I CB 2.426 40.178 38.000 -0.414 0.000 1.229 47 I HN -0.324 nan 8.210 nan 0.000 0.435 48 S N 2.471 118.180 115.700 0.015 0.000 2.482 48 S HA 0.387 4.871 4.470 0.023 0.000 0.303 48 S C -0.506 174.197 174.600 0.171 0.000 1.091 48 S CA -0.725 57.520 58.200 0.075 0.000 1.057 48 S CB 1.656 64.868 63.200 0.021 0.000 1.031 48 S HN 0.551 nan 8.310 nan 0.000 0.485 49 K N 2.998 123.479 120.400 0.136 0.000 2.412 49 K HA 0.369 4.702 4.320 0.023 0.000 0.281 49 K C -0.252 176.270 176.600 -0.129 0.000 1.027 49 K CA -0.000 56.229 56.287 -0.097 0.000 0.989 49 K CB 0.149 32.585 32.500 -0.106 0.000 0.935 49 K HN 0.652 nan 8.250 nan 0.000 0.475 50 I N -0.302 120.140 120.570 -0.213 0.000 3.074 50 I HA 0.613 4.796 4.170 0.023 0.000 0.310 50 I C 0.195 176.216 176.117 -0.159 0.000 1.153 50 I CA -1.120 60.090 61.300 -0.150 0.000 0.993 50 I CB 1.954 39.880 38.000 -0.123 0.000 1.237 50 I HN 0.578 nan 8.210 nan 0.000 0.443 51 G N 1.494 110.224 108.800 -0.116 0.000 2.508 51 G HA2 0.513 4.487 3.960 0.023 0.000 0.278 51 G HA3 0.513 4.487 3.960 0.023 0.000 0.278 51 G C -2.158 172.679 174.900 -0.104 0.000 1.389 51 G CA -1.077 43.960 45.100 -0.106 0.000 1.050 51 G HN 0.580 nan 8.290 nan 0.000 0.522 52 P HA 0.087 nan 4.420 nan 0.000 0.245 52 P C 1.435 178.682 177.300 -0.089 0.000 1.206 52 P CA 0.076 63.123 63.100 -0.089 0.000 0.781 52 P CB 0.454 32.107 31.700 -0.078 0.000 0.994 53 E N 0.937 121.089 120.200 -0.081 0.000 2.086 53 E HA -0.200 4.164 4.350 0.023 0.000 0.200 53 E C 0.723 177.262 176.600 -0.100 0.000 1.012 53 E CA 0.973 57.327 56.400 -0.078 0.000 0.812 53 E CB -0.958 28.704 29.700 -0.063 0.000 0.743 53 E HN 0.162 nan 8.360 nan 0.000 0.453 54 N N 1.391 120.034 118.700 -0.095 0.000 2.438 54 N HA -0.029 4.724 4.740 0.023 0.000 0.267 54 N C -1.816 173.579 175.510 -0.192 0.000 1.222 54 N CA -0.698 52.289 53.050 -0.104 0.000 0.930 54 N CB 1.048 39.513 38.487 -0.036 0.000 1.083 54 N HN 0.081 nan 8.380 nan 0.000 0.476 55 P HA 0.036 nan 4.420 nan 0.000 0.255 55 P C -0.619 176.407 177.300 -0.457 0.000 1.248 55 P CA 0.412 63.232 63.100 -0.467 0.000 0.807 55 P CB 0.173 31.522 31.700 -0.584 0.000 1.150 56 Y N 0.413 120.709 120.300 -0.006 0.000 2.432 56 Y HA 0.594 5.158 4.550 0.023 0.000 0.322 56 Y C 1.038 176.958 175.900 0.033 0.000 1.246 56 Y CA -0.716 57.403 58.100 0.032 0.000 1.268 56 Y CB 0.759 39.249 38.460 0.050 0.000 1.276 56 Y HN -0.134 nan 8.280 nan 0.000 0.499 57 N N -0.618 118.224 118.700 0.238 0.000 2.928 57 N HA 0.191 4.945 4.740 0.023 0.000 0.247 57 N C -2.045 173.569 175.510 0.173 0.000 1.141 57 N CA -0.265 52.887 53.050 0.170 0.000 0.977 57 N CB 1.939 40.480 38.487 0.090 0.000 1.663 57 N HN 0.677 nan 8.380 nan 0.000 0.509 58 T N 3.091 117.749 114.554 0.174 0.000 2.841 58 T HA 0.544 4.907 4.350 0.023 0.000 0.283 58 T C -2.677 172.020 174.700 -0.005 0.000 1.000 58 T CA -0.995 61.155 62.100 0.083 0.000 0.977 58 T CB 2.123 70.998 68.868 0.012 0.000 0.979 58 T HN 0.354 nan 8.240 nan 0.000 0.446 59 P HA 0.269 nan 4.420 nan 0.000 0.276 59 P C -0.735 176.233 177.300 -0.555 0.000 1.230 59 P CA -0.298 62.647 63.100 -0.258 0.000 0.776 59 P CB 1.115 32.721 31.700 -0.156 0.000 0.888 60 V N 4.826 124.383 119.914 -0.596 0.000 2.667 60 V HA 0.605 4.738 4.120 0.023 0.000 0.308 60 V C -0.876 174.734 176.094 -0.807 0.000 1.048 60 V CA -0.512 61.432 62.300 -0.592 0.000 0.928 60 V CB 0.880 32.521 31.823 -0.304 0.000 1.004 60 V HN 0.340 nan 8.190 nan 0.000 0.444 61 F N 3.271 123.148 119.950 -0.123 0.000 2.740 61 F HA 0.917 5.457 4.527 0.023 0.000 0.357 61 F C 0.318 176.024 175.800 -0.156 0.000 1.141 61 F CA -0.491 57.418 58.000 -0.151 0.000 1.044 61 F CB 1.785 40.684 39.000 -0.168 0.000 1.430 61 F HN 0.627 nan 8.300 nan 0.000 0.518 62 A N 1.129 123.985 122.820 0.059 0.000 2.375 62 A HA 0.807 5.140 4.320 0.023 0.000 0.295 62 A C -1.167 176.584 177.584 0.278 0.000 1.066 62 A CA -0.384 51.615 52.037 -0.063 0.000 0.722 62 A CB 0.650 19.250 19.000 -0.666 0.000 1.206 62 A HN 0.702 nan 8.150 nan 0.000 0.435 63 I N 0.085 120.932 120.570 0.462 0.000 3.516 63 I HA 0.953 5.137 4.170 0.023 0.000 0.302 63 I C -0.515 175.809 176.117 0.345 0.000 1.143 63 I CA -0.964 60.581 61.300 0.408 0.000 1.003 63 I CB 1.996 40.094 38.000 0.164 0.000 1.347 63 I HN 0.771 nan 8.210 nan 0.000 0.486 71 W N 0.916 122.217 121.300 0.002 0.000 2.436 71 W HA 0.531 5.205 4.660 0.023 0.000 0.347 71 W C -0.065 176.454 176.519 -0.000 0.000 1.136 71 W CA -0.541 56.804 57.345 0.001 0.000 1.286 71 W CB 1.449 30.911 29.460 0.003 0.000 1.253 71 W HN 0.282 nan 8.180 nan 0.000 0.617 72 R N 1.801 122.496 120.500 0.325 0.000 2.621 72 R HA 0.370 4.724 4.340 0.023 0.000 0.292 72 R C -0.677 175.715 176.300 0.153 0.000 0.969 72 R CA -1.287 54.917 56.100 0.174 0.000 0.887 72 R CB 1.882 32.253 30.300 0.119 0.000 1.180 72 R HN 0.426 nan 8.270 nan 0.000 0.450 73 K N 2.915 123.359 120.400 0.074 0.000 2.144 73 K HA 0.437 4.770 4.320 0.023 0.000 0.270 73 K C -0.849 175.763 176.600 0.019 0.000 1.005 73 K CA -0.553 55.744 56.287 0.017 0.000 0.932 73 K CB 1.217 33.688 32.500 -0.049 0.000 1.021 73 K HN 0.524 nan 8.250 nan 0.000 0.462 74 L N 3.653 124.883 121.223 0.012 0.000 2.439 74 L HA 0.369 4.722 4.340 0.023 0.000 0.270 74 L C -1.582 175.261 176.870 -0.045 0.000 0.972 74 L CA -1.083 53.779 54.840 0.037 0.000 0.836 74 L CB 2.050 44.184 42.059 0.126 0.000 1.255 74 L HN 0.584 nan 8.230 nan 0.000 0.404 75 V N 2.971 122.798 119.914 -0.145 0.000 2.370 75 V HA 0.242 4.375 4.120 0.023 0.000 0.279 75 V C -0.362 175.528 176.094 -0.339 0.000 1.029 75 V CA -0.549 61.513 62.300 -0.398 0.000 0.870 75 V CB 1.507 32.931 31.823 -0.664 0.000 0.984 75 V HN 0.604 nan 8.190 nan 0.000 0.451 76 D N 3.574 123.839 120.400 -0.224 0.000 2.422 76 D HA 0.288 4.941 4.640 0.023 0.000 0.227 76 D C 0.376 176.634 176.300 -0.069 0.000 1.190 76 D CA -0.065 53.936 54.000 0.002 0.000 0.905 76 D CB 0.304 41.273 40.800 0.281 0.000 1.034 76 D HN 0.462 nan 8.370 nan 0.000 0.507 77 F N 1.856 121.898 119.950 0.153 0.000 2.773 77 F HA 0.165 4.706 4.527 0.023 0.000 0.304 77 F C 2.137 178.047 175.800 0.183 0.000 1.129 77 F CA -0.379 57.729 58.000 0.180 0.000 1.378 77 F CB 0.245 39.377 39.000 0.220 0.000 1.095 77 F HN 0.209 nan 8.300 nan 0.000 0.565 78 R N 0.360 121.037 120.500 0.294 0.000 2.165 78 R HA -0.279 4.075 4.340 0.023 0.000 0.254 78 R C 1.915 178.342 176.300 0.211 0.000 1.153 78 R CA 2.006 58.236 56.100 0.217 0.000 0.971 78 R CB -0.390 30.011 30.300 0.169 0.000 0.878 78 R HN 0.222 nan 8.270 nan 0.000 0.449 79 E N 0.696 121.032 120.200 0.226 0.000 2.072 79 E HA -0.113 4.251 4.350 0.023 0.000 0.190 79 E C 1.720 178.461 176.600 0.234 0.000 0.982 79 E CA 0.612 57.131 56.400 0.200 0.000 0.803 79 E CB -0.145 29.663 29.700 0.181 0.000 0.755 79 E HN 0.122 nan 8.360 nan 0.000 0.453 80 L N 1.079 122.503 121.223 0.336 0.000 2.046 80 L HA -0.131 4.223 4.340 0.023 0.000 0.208 80 L C 1.387 178.475 176.870 0.363 0.000 1.077 80 L CA 1.795 56.858 54.840 0.372 0.000 0.747 80 L CB -0.841 41.524 42.059 0.510 0.000 0.896 80 L HN 0.114 nan 8.230 nan 0.000 0.432 81 N N -0.021 118.882 118.700 0.339 0.000 2.348 81 N HA -0.182 4.571 4.740 0.023 0.000 0.185 81 N C 1.653 177.242 175.510 0.131 0.000 1.019 81 N CA 1.144 54.312 53.050 0.197 0.000 0.880 81 N CB -0.241 38.325 38.487 0.133 0.000 0.965 81 N HN 0.484 nan 8.380 nan 0.000 0.437 82 K N 0.435 120.918 120.400 0.139 0.000 2.228 82 K HA 0.096 4.430 4.320 0.023 0.000 0.202 82 K C 1.276 177.925 176.600 0.081 0.000 1.051 82 K CA 0.628 56.971 56.287 0.092 0.000 0.960 82 K CB 0.190 32.745 32.500 0.091 0.000 0.743 82 K HN 0.239 nan 8.250 nan 0.000 0.458 83 R N 0.243 120.809 120.500 0.111 0.000 2.362 83 R HA 0.117 4.470 4.340 0.023 0.000 0.227 83 R C 0.043 176.403 176.300 0.100 0.000 0.905 83 R CA 0.147 56.293 56.100 0.078 0.000 1.067 83 R CB 0.573 30.906 30.300 0.054 0.000 1.078 83 R HN -0.080 nan 8.270 nan 0.000 0.516 84 T N 2.917 117.569 114.554 0.162 0.000 2.845 84 T HA 0.093 4.457 4.350 0.023 0.000 0.288 84 T C 0.217 174.907 174.700 -0.016 0.000 0.980 84 T CA -0.570 61.646 62.100 0.192 0.000 1.071 84 T CB 1.485 70.571 68.868 0.364 0.000 0.941 84 T HN 0.238 nan 8.240 nan 0.000 0.487 85 Q N 2.290 122.010 119.800 -0.134 0.000 2.523 85 Q HA 0.058 4.411 4.340 0.023 0.000 0.283 85 Q C -0.868 174.826 176.000 -0.510 0.000 1.140 85 Q CA 0.055 55.673 55.803 -0.308 0.000 0.981 85 Q CB 0.169 28.670 28.738 -0.394 0.000 1.310 85 Q HN 0.475 nan 8.270 nan 0.000 0.483 86 D N 0.010 120.155 120.400 -0.426 0.000 2.312 86 D HA 0.459 5.113 4.640 0.023 0.000 0.248 86 D C -1.029 174.925 176.300 -0.577 0.000 1.086 86 D CA -0.076 53.716 54.000 -0.347 0.000 0.948 86 D CB 0.566 41.282 40.800 -0.140 0.000 1.162 86 D HN 0.357 nan 8.370 nan 0.000 0.446 87 F N -0.552 119.356 119.950 -0.070 0.000 2.654 87 F HA 0.348 4.889 4.527 0.023 0.000 0.334 87 F C -0.363 175.480 175.800 0.072 0.000 1.078 87 F CA -1.187 56.802 58.000 -0.019 0.000 0.986 87 F CB 0.811 39.749 39.000 -0.103 0.000 1.362 87 F HN 0.249 nan 8.300 nan 0.000 0.498 88 W N 3.909 125.281 121.300 0.120 0.000 2.368 88 W HA 0.100 4.774 4.660 0.023 0.000 0.316 88 W C -0.038 176.489 176.519 0.014 0.000 1.375 88 W CA -0.751 56.616 57.345 0.036 0.000 1.261 88 W CB 0.725 30.197 29.460 0.020 0.000 1.298 88 W HN 0.529 nan 8.180 nan 0.000 0.539 89 E N 4.273 124.014 120.200 -0.766 0.000 3.111 89 E HA -0.123 4.241 4.350 0.023 0.000 0.230 89 E C 0.533 176.841 176.600 -0.486 0.000 1.035 89 E CA 0.147 56.177 56.400 -0.617 0.000 0.944 89 E CB -0.732 28.537 29.700 -0.718 0.000 0.919 89 E HN 0.403 nan 8.360 nan 0.000 0.554 90 V N 1.704 121.448 119.914 -0.283 0.000 2.596 90 V HA -0.160 3.974 4.120 0.023 0.000 0.260 90 V C 0.836 176.800 176.094 -0.215 0.000 0.968 90 V CA 0.394 62.562 62.300 -0.221 0.000 1.172 90 V CB -0.949 30.736 31.823 -0.230 0.000 1.014 90 V HN 0.863 nan 8.190 nan 0.000 0.468 91 Q N 2.675 122.373 119.800 -0.170 0.000 2.500 91 Q HA -0.215 4.139 4.340 0.023 0.000 0.205 91 Q C 0.390 176.313 176.000 -0.128 0.000 1.300 91 Q CA 0.688 56.420 55.803 -0.117 0.000 0.759 91 Q CB -0.156 28.539 28.738 -0.072 0.000 0.868 91 Q HN 0.975 nan 8.270 nan 0.000 0.309 92 L N 2.588 123.727 121.223 -0.139 0.000 2.127 92 L HA 0.084 4.438 4.340 0.023 0.000 0.203 92 L C 1.402 178.245 176.870 -0.044 0.000 1.080 92 L CA 0.882 55.654 54.840 -0.113 0.000 0.768 92 L CB -0.152 41.819 42.059 -0.147 0.000 0.924 92 L HN 0.671 nan 8.230 nan 0.000 0.444 93 G N 0.967 109.751 108.800 -0.027 0.000 2.361 93 G HA2 0.309 4.283 3.960 0.023 0.000 0.260 93 G HA3 0.309 4.283 3.960 0.023 0.000 0.260 93 G C -0.410 174.528 174.900 0.063 0.000 1.261 93 G CA -0.289 44.815 45.100 0.006 0.000 0.897 93 G HN 0.159 nan 8.290 nan 0.000 0.499 94 I N 2.949 123.578 120.570 0.099 0.000 2.499 94 I HA 0.463 4.647 4.170 0.023 0.000 0.296 94 I C -1.918 174.258 176.117 0.097 0.000 0.992 94 I CA -2.249 59.163 61.300 0.187 0.000 1.297 94 I CB 1.734 39.850 38.000 0.193 0.000 1.410 94 I HN 0.244 nan 8.210 nan 0.000 0.507 95 P HA 0.118 nan 4.420 nan 0.000 0.268 95 P C -1.235 176.107 177.300 0.071 0.000 1.205 95 P CA 0.167 63.270 63.100 0.004 0.000 0.771 95 P CB 0.234 31.855 31.700 -0.132 0.000 0.858 96 H N 3.743 122.727 119.070 -0.143 0.000 2.459 96 H HA 0.211 4.780 4.556 0.023 0.000 0.332 96 H C -1.827 173.353 175.328 -0.247 0.000 1.094 96 H CA -2.220 53.714 56.048 -0.190 0.000 1.224 96 H CB 1.619 31.217 29.762 -0.272 0.000 1.449 96 H HN 0.206 nan 8.280 nan 0.000 0.484 97 P HA -0.162 nan 4.420 nan 0.000 0.218 97 P C 0.937 178.317 177.300 0.133 0.000 1.146 97 P CA 1.820 64.783 63.100 -0.228 0.000 0.820 97 P CB 0.167 31.456 31.700 -0.686 0.000 0.778 98 A N -0.790 122.210 122.820 0.301 0.000 2.119 98 A HA 0.085 4.419 4.320 0.023 0.000 0.217 98 A C 2.217 180.019 177.584 0.363 0.000 1.153 98 A CA 1.531 53.818 52.037 0.417 0.000 0.692 98 A CB -1.278 17.939 19.000 0.362 0.000 0.799 98 A HN 0.312 nan 8.150 nan 0.000 0.458 99 G N -0.925 107.862 108.800 -0.022 0.000 2.986 99 G HA2 0.342 4.315 3.960 0.023 0.000 0.213 99 G HA3 0.342 4.315 3.960 0.023 0.000 0.213 99 G C 0.456 175.429 174.900 0.122 0.000 1.156 99 G CA -0.327 44.641 45.100 -0.221 0.000 0.763 99 G HN 0.371 nan 8.290 nan 0.000 0.547 100 L N 1.619 122.958 121.223 0.193 0.000 2.410 100 L HA 0.223 4.577 4.340 0.023 0.000 0.273 100 L C 0.248 177.309 176.870 0.318 0.000 1.144 100 L CA -0.226 54.734 54.840 0.200 0.000 0.863 100 L CB 0.865 42.971 42.059 0.080 0.000 1.140 100 L HN 0.004 nan 8.230 nan 0.000 0.463 101 K N 3.518 124.088 120.400 0.284 0.000 2.350 101 K HA 0.132 4.465 4.320 0.023 0.000 0.279 101 K C -0.027 176.624 176.600 0.085 0.000 1.027 101 K CA -0.415 56.008 56.287 0.227 0.000 0.969 101 K CB 0.789 33.391 32.500 0.170 0.000 0.954 101 K HN 0.382 nan 8.250 nan 0.000 0.474 102 K N 3.009 123.469 120.400 0.099 0.000 2.412 102 K HA 0.004 4.337 4.320 0.023 0.000 0.281 102 K C -0.490 176.095 176.600 -0.025 0.000 1.027 102 K CA 0.296 56.596 56.287 0.022 0.000 0.989 102 K CB 0.462 33.045 32.500 0.138 0.000 0.935 102 K HN 0.263 nan 8.250 nan 0.000 0.475 103 K N 3.382 123.732 120.400 -0.083 0.000 2.385 103 K HA 0.202 4.536 4.320 0.023 0.000 0.248 103 K C 0.355 176.910 176.600 -0.074 0.000 0.955 103 K CA -0.684 55.560 56.287 -0.072 0.000 0.816 103 K CB 1.648 34.091 32.500 -0.096 0.000 1.250 103 K HN 0.448 nan 8.250 nan 0.000 0.434 104 K N 0.505 120.863 120.400 -0.070 0.000 2.057 104 K HA 0.013 4.346 4.320 0.023 0.000 0.207 104 K C 0.166 176.683 176.600 -0.139 0.000 1.049 104 K CA 1.126 57.367 56.287 -0.076 0.000 0.931 104 K CB 0.143 32.605 32.500 -0.062 0.000 0.714 104 K HN 0.374 nan 8.250 nan 0.000 0.440 105 S N -0.062 115.484 115.700 -0.255 0.000 2.541 105 S HA 0.469 4.953 4.470 0.023 0.000 0.280 105 S C -1.156 173.204 174.600 -0.399 0.000 1.112 105 S CA -0.900 57.034 58.200 -0.443 0.000 0.925 105 S CB 2.795 65.426 63.200 -0.947 0.000 1.067 105 S HN -0.134 nan 8.310 nan 0.000 0.479 106 V N 2.317 122.126 119.914 -0.176 0.000 2.686 106 V HA 0.644 4.777 4.120 0.023 0.000 0.306 106 V C -0.639 175.537 176.094 0.137 0.000 1.065 106 V CA -0.478 61.824 62.300 0.002 0.000 0.894 106 V CB 2.304 34.133 31.823 0.010 0.000 1.004 106 V HN 0.959 nan 8.190 nan 0.000 0.424 107 T N 3.530 118.183 114.554 0.164 0.000 2.876 107 T HA 0.637 5.000 4.350 0.023 0.000 0.289 107 T C -0.611 174.066 174.700 -0.038 0.000 1.014 107 T CA -0.534 61.648 62.100 0.136 0.000 0.986 107 T CB 1.976 70.948 68.868 0.172 0.000 1.021 107 T HN 0.344 nan 8.240 nan 0.000 0.458 108 V N 3.658 123.524 119.914 -0.080 0.000 2.394 108 V HA 0.487 4.620 4.120 0.023 0.000 0.282 108 V C -0.744 175.201 176.094 -0.249 0.000 1.031 108 V CA -0.800 61.314 62.300 -0.311 0.000 0.881 108 V CB 1.138 32.757 31.823 -0.340 0.000 0.982 108 V HN 0.619 nan 8.190 nan 0.000 0.451 109 L N 4.048 125.071 121.223 -0.334 0.000 2.319 109 L HA 0.476 4.830 4.340 0.023 0.000 0.281 109 L C -0.147 176.554 176.870 -0.281 0.000 1.005 109 L CA -0.076 54.604 54.840 -0.267 0.000 0.828 109 L CB 1.437 43.351 42.059 -0.243 0.000 1.227 109 L HN 0.583 nan 8.230 nan 0.000 0.415 110 D N 2.473 122.698 120.400 -0.292 0.000 2.365 110 D HA 0.187 4.841 4.640 0.023 0.000 0.237 110 D C 0.495 176.596 176.300 -0.333 0.000 1.190 110 D CA -0.138 53.689 54.000 -0.287 0.000 0.867 110 D CB 1.202 41.792 40.800 -0.349 0.000 1.050 110 D HN 0.280 nan 8.370 nan 0.000 0.491 111 V N 2.433 122.293 119.914 -0.090 0.000 3.110 111 V HA 0.518 4.652 4.120 0.023 0.000 0.368 111 V C 1.159 177.377 176.094 0.208 0.000 1.332 111 V CA -0.379 61.914 62.300 -0.013 0.000 1.287 111 V CB -0.155 31.660 31.823 -0.014 0.000 1.277 111 V HN 0.391 nan 8.190 nan 0.000 0.502 112 G N 1.957 110.920 108.800 0.271 0.000 2.794 112 G HA2 0.068 4.042 3.960 0.023 0.000 0.249 112 G HA3 0.068 4.042 3.960 0.023 0.000 0.249 112 G C 0.645 175.691 174.900 0.243 0.000 1.236 112 G CA 0.628 45.932 45.100 0.340 0.000 0.880 112 G HN 0.724 nan 8.290 nan 0.000 0.586 113 D N -0.598 119.875 120.400 0.122 0.000 2.149 113 D HA -0.083 4.570 4.640 0.023 0.000 0.198 113 D C 2.303 178.600 176.300 -0.004 0.000 0.990 113 D CA 1.656 55.660 54.000 0.008 0.000 0.839 113 D CB -0.171 40.636 40.800 0.011 0.000 0.948 113 D HN 0.420 nan 8.370 nan 0.000 0.460 114 A N -0.299 122.478 122.820 -0.072 0.000 1.940 114 A HA -0.140 4.194 4.320 0.023 0.000 0.219 114 A C 1.598 178.971 177.584 -0.352 0.000 1.176 114 A CA 1.258 53.116 52.037 -0.299 0.000 0.631 114 A CB -0.950 17.706 19.000 -0.575 0.000 0.814 114 A HN 0.485 nan 8.150 nan 0.000 0.446 115 Y N -3.031 117.270 120.300 0.003 0.000 2.497 115 Y HA 0.377 4.941 4.550 0.023 0.000 0.265 115 Y C 0.674 176.609 175.900 0.060 0.000 1.111 115 Y CA -0.291 57.811 58.100 0.004 0.000 1.288 115 Y CB 0.144 38.585 38.460 -0.031 0.000 1.082 115 Y HN 0.252 nan 8.280 nan 0.000 0.536 116 F N 0.836 120.775 119.950 -0.018 0.000 2.460 116 F HA 0.529 5.069 4.527 0.023 0.000 0.341 116 F C -0.390 175.304 175.800 -0.177 0.000 1.130 116 F CA -1.012 56.894 58.000 -0.157 0.000 0.962 116 F CB 1.011 39.771 39.000 -0.400 0.000 1.171 116 F HN -0.321 nan 8.300 nan 0.000 0.436 117 S N 5.507 121.289 115.700 0.137 0.000 2.605 117 S HA 0.660 5.144 4.470 0.023 0.000 0.308 117 S C -1.278 173.245 174.600 -0.129 0.000 1.113 117 S CA -0.471 57.688 58.200 -0.069 0.000 1.049 117 S CB 1.388 64.603 63.200 0.024 0.000 1.001 117 S HN 0.414 nan 8.310 nan 0.000 0.480 118 V N 7.651 127.398 119.914 -0.279 0.000 2.555 118 V HA 0.591 4.725 4.120 0.023 0.000 0.302 118 V C -2.036 174.013 176.094 -0.076 0.000 1.038 118 V CA -2.015 60.163 62.300 -0.204 0.000 0.887 118 V CB 1.906 33.513 31.823 -0.361 0.000 0.991 118 V HN 0.732 nan 8.190 nan 0.000 0.434 119 P HA 0.146 nan 4.420 nan 0.000 0.271 119 P C -0.832 176.474 177.300 0.010 0.000 1.218 119 P CA -0.262 62.848 63.100 0.016 0.000 0.780 119 P CB 1.291 33.015 31.700 0.040 0.000 0.901 120 L N 2.231 123.464 121.223 0.016 0.000 2.343 120 L HA 0.369 4.723 4.340 0.023 0.000 0.275 120 L C 0.073 176.966 176.870 0.038 0.000 1.056 120 L CA -0.536 54.306 54.840 0.004 0.000 0.804 120 L CB 0.530 42.574 42.059 -0.025 0.000 1.203 120 L HN 0.255 nan 8.230 nan 0.000 0.440 121 D N 2.506 122.938 120.400 0.054 0.000 2.402 121 D HA -0.058 4.595 4.640 0.023 0.000 0.268 121 D C 1.131 177.498 176.300 0.111 0.000 1.294 121 D CA 0.342 54.397 54.000 0.091 0.000 0.945 121 D CB 0.772 41.641 40.800 0.115 0.000 1.112 121 D HN 0.591 nan 8.370 nan 0.000 0.517 122 E N 3.239 123.486 120.200 0.077 0.000 2.169 122 E HA -0.314 4.049 4.350 0.023 0.000 0.202 122 E C 0.911 177.546 176.600 0.058 0.000 1.016 122 E CA 1.327 57.760 56.400 0.056 0.000 0.817 122 E CB -0.296 29.430 29.700 0.042 0.000 0.736 122 E HN 0.647 nan 8.360 nan 0.000 0.462 123 D N -0.204 120.254 120.400 0.097 0.000 2.144 123 D HA -0.108 4.546 4.640 0.023 0.000 0.199 123 D C 1.628 178.012 176.300 0.140 0.000 0.984 123 D CA 0.878 54.944 54.000 0.110 0.000 0.834 123 D CB -0.251 40.641 40.800 0.153 0.000 0.955 123 D HN 0.187 nan 8.370 nan 0.000 0.465 124 F N 1.533 121.515 119.950 0.053 0.000 2.512 124 F HA 0.079 4.620 4.527 0.023 0.000 0.296 124 F C 2.223 177.997 175.800 -0.044 0.000 1.110 124 F CA 0.314 58.387 58.000 0.122 0.000 1.446 124 F CB 0.108 39.161 39.000 0.088 0.000 1.092 124 F HN -0.259 nan 8.300 nan 0.000 0.554 125 R N 0.874 121.369 120.500 -0.008 0.000 2.185 125 R HA -0.238 4.116 4.340 0.023 0.000 0.247 125 R C 2.117 178.294 176.300 -0.204 0.000 1.159 125 R CA 1.878 57.933 56.100 -0.076 0.000 0.988 125 R CB -0.503 29.789 30.300 -0.013 0.000 0.871 125 R HN 0.423 nan 8.270 nan 0.000 0.458 126 K N -0.502 119.653 120.400 -0.409 0.000 2.211 126 K HA -0.146 4.188 4.320 0.023 0.000 0.203 126 K C 1.065 177.345 176.600 -0.534 0.000 1.050 126 K CA 1.402 57.419 56.287 -0.451 0.000 0.945 126 K CB -0.237 31.946 32.500 -0.528 0.000 0.732 126 K HN 0.192 nan 8.250 nan 0.000 0.451 127 Y N 2.461 122.455 120.300 -0.509 0.000 2.571 127 Y HA -0.043 4.520 4.550 0.023 0.000 0.294 127 Y C 2.244 178.022 175.900 -0.203 0.000 1.141 127 Y CA 1.108 58.856 58.100 -0.586 0.000 1.308 127 Y CB -0.410 37.444 38.460 -1.011 0.000 1.002 127 Y HN 0.308 nan 8.280 nan 0.000 0.551 128 T N -2.465 112.086 114.554 -0.005 0.000 3.144 128 T HA 0.439 4.803 4.350 0.023 0.000 0.249 128 T C 0.916 175.907 174.700 0.485 0.000 1.089 128 T CA 0.021 62.299 62.100 0.298 0.000 0.989 128 T CB -0.560 68.430 68.868 0.203 0.000 0.992 128 T HN 0.202 nan 8.240 nan 0.000 0.540 129 A N 1.830 124.806 122.820 0.260 0.000 2.540 129 A HA 0.513 4.847 4.320 0.023 0.000 0.239 129 A C -0.019 177.727 177.584 0.270 0.000 1.061 129 A CA -0.349 51.792 52.037 0.172 0.000 0.758 129 A CB -0.600 18.446 19.000 0.077 0.000 0.991 129 A HN 0.772 nan 8.150 nan 0.000 0.502 130 F N -0.693 119.330 119.950 0.122 0.000 2.643 130 F HA 0.831 5.372 4.527 0.023 0.000 0.314 130 F C -0.331 175.494 175.800 0.041 0.000 1.096 130 F CA -0.866 57.170 58.000 0.059 0.000 0.953 130 F CB 1.503 40.524 39.000 0.034 0.000 1.345 130 F HN 0.310 nan 8.300 nan 0.000 0.468 131 T N 2.579 117.251 114.554 0.196 0.000 2.879 131 T HA 0.509 4.872 4.350 0.023 0.000 0.290 131 T C -0.505 174.262 174.700 0.111 0.000 0.993 131 T CA -0.415 61.724 62.100 0.065 0.000 0.975 131 T CB 1.267 70.133 68.868 -0.004 0.000 0.981 131 T HN 0.566 nan 8.240 nan 0.000 0.439 132 I N 6.413 127.041 120.570 0.097 0.000 2.363 132 I HA 0.214 4.398 4.170 0.023 0.000 0.292 132 I C -1.560 174.565 176.117 0.013 0.000 1.075 132 I CA -2.102 59.247 61.300 0.081 0.000 1.333 132 I CB 0.713 38.782 38.000 0.116 0.000 1.415 132 I HN 0.333 nan 8.210 nan 0.000 0.502 133 P HA -0.042 nan 4.420 nan 0.000 0.276 133 P C -0.192 177.101 177.300 -0.011 0.000 1.264 133 P CA -0.143 62.956 63.100 -0.003 0.000 0.815 133 P CB 0.759 32.464 31.700 0.008 0.000 1.121 134 S N -1.412 114.282 115.700 -0.010 0.000 2.726 134 S HA 0.461 4.944 4.470 0.023 0.000 0.308 134 S C 0.334 174.930 174.600 -0.007 0.000 1.115 134 S CA -1.007 57.186 58.200 -0.013 0.000 0.965 134 S CB 0.450 63.640 63.200 -0.017 0.000 1.145 134 S HN 0.403 nan 8.310 nan 0.000 0.532 139 T N -0.606 113.938 114.554 -0.017 0.000 2.897 139 T HA 0.714 5.078 4.350 0.023 0.000 0.278 139 T C -2.405 172.277 174.700 -0.030 0.000 0.981 139 T CA -1.928 60.158 62.100 -0.023 0.000 0.973 139 T CB 0.734 69.588 68.868 -0.023 0.000 1.092 139 T HN -0.181 nan 8.240 nan 0.000 0.543 140 P HA 0.321 nan 4.420 nan 0.000 0.264 140 P C 0.261 177.528 177.300 -0.055 0.000 1.183 140 P CA 0.058 63.128 63.100 -0.049 0.000 0.763 140 P CB 0.086 31.752 31.700 -0.056 0.000 0.807 141 G N 2.342 111.107 108.800 -0.060 0.000 2.502 141 G HA2 0.508 4.482 3.960 0.023 0.000 0.305 141 G HA3 0.508 4.482 3.960 0.023 0.000 0.305 141 G C -0.462 174.373 174.900 -0.108 0.000 1.190 141 G CA -0.879 44.183 45.100 -0.064 0.000 0.933 141 G HN 0.443 nan 8.290 nan 0.000 0.503 142 I N 1.018 121.514 120.570 -0.124 0.000 2.379 142 I HA 0.202 4.386 4.170 0.023 0.000 0.290 142 I C 0.864 176.774 176.117 -0.345 0.000 1.063 142 I CA -0.134 61.020 61.300 -0.242 0.000 1.351 142 I CB 0.602 38.465 38.000 -0.228 0.000 1.410 142 I HN 0.189 nan 8.210 nan 0.000 0.505 143 R N 5.831 126.073 120.500 -0.430 0.000 2.404 143 R HA 0.585 4.939 4.340 0.023 0.000 0.291 143 R C -1.260 174.614 176.300 -0.710 0.000 1.025 143 R CA -0.342 55.493 56.100 -0.442 0.000 0.991 143 R CB 1.361 31.490 30.300 -0.285 0.000 1.053 143 R HN 0.497 nan 8.270 nan 0.000 0.479 144 Y N -0.260 119.685 120.300 -0.593 0.000 2.728 144 Y HA 0.235 4.799 4.550 0.023 0.000 0.330 144 Y C -0.644 174.862 175.900 -0.656 0.000 1.234 144 Y CA -0.896 56.777 58.100 -0.712 0.000 1.070 144 Y CB 2.337 40.133 38.460 -1.106 0.000 1.300 144 Y HN 0.496 nan 8.280 nan 0.000 0.467 145 Q N -0.532 119.156 119.800 -0.187 0.000 2.479 145 Q HA 0.418 4.771 4.340 0.023 0.000 0.276 145 Q C -2.374 173.695 176.000 0.115 0.000 0.989 145 Q CA -1.018 54.797 55.803 0.021 0.000 0.864 145 Q CB 1.582 30.322 28.738 0.003 0.000 1.444 145 Q HN 0.595 nan 8.270 nan 0.000 0.388 146 Y N 1.606 122.005 120.300 0.165 0.000 2.346 146 Y HA 0.241 4.804 4.550 0.023 0.000 0.330 146 Y C 0.915 176.832 175.900 0.028 0.000 1.178 146 Y CA 0.251 58.422 58.100 0.118 0.000 1.331 146 Y CB 0.959 39.486 38.460 0.111 0.000 1.253 146 Y HN 0.733 nan 8.280 nan 0.000 0.529 147 N N 1.320 120.118 118.700 0.162 0.000 2.205 147 N HA 0.084 4.838 4.740 0.023 0.000 0.201 147 N C -0.684 174.878 175.510 0.086 0.000 1.128 147 N CA 0.403 53.506 53.050 0.088 0.000 0.867 147 N CB 0.920 39.433 38.487 0.044 0.000 0.996 147 N HN 0.385 nan 8.380 nan 0.000 0.503 148 V N -2.529 117.469 119.914 0.141 0.000 3.160 148 V HA 0.511 4.645 4.120 0.023 0.000 0.310 148 V C 0.023 176.141 176.094 0.041 0.000 1.181 148 V CA -1.179 61.169 62.300 0.080 0.000 1.047 148 V CB 1.676 33.545 31.823 0.076 0.000 1.068 148 V HN -0.161 nan 8.190 nan 0.000 0.441 149 L N 2.327 123.529 121.223 -0.035 0.000 2.615 149 L HA 0.259 4.612 4.340 0.023 0.000 0.271 149 L C -2.167 174.633 176.870 -0.118 0.000 1.183 149 L CA -0.810 53.991 54.840 -0.066 0.000 0.933 149 L CB -0.030 42.009 42.059 -0.034 0.000 1.199 149 L HN 0.514 nan 8.230 nan 0.000 0.487 150 P HA 0.091 nan 4.420 nan 0.000 0.279 150 P C -0.695 176.511 177.300 -0.157 0.000 1.239 150 P CA -0.538 62.209 63.100 -0.587 0.000 0.789 150 P CB 0.563 31.575 31.700 -1.147 0.000 0.933 151 Q N 1.848 121.630 119.800 -0.029 0.000 2.286 151 Q HA 0.292 4.646 4.340 0.023 0.000 0.267 151 Q C 1.367 177.459 176.000 0.153 0.000 1.028 151 Q CA 1.228 57.074 55.803 0.072 0.000 0.901 151 Q CB 0.234 29.026 28.738 0.090 0.000 1.183 151 Q HN 0.905 nan 8.270 nan 0.000 0.392 152 G N 2.879 111.763 108.800 0.139 0.000 2.179 152 G HA2 -0.231 3.742 3.960 0.023 0.000 0.220 152 G HA3 -0.231 3.742 3.960 0.023 0.000 0.220 152 G C -0.472 174.568 174.900 0.233 0.000 0.990 152 G CA -0.129 45.090 45.100 0.199 0.000 0.646 152 G HN 0.571 nan 8.290 nan 0.000 0.517 153 W N 1.882 123.112 121.300 -0.117 0.000 2.381 153 W HA 0.657 5.331 4.660 0.023 0.000 0.329 153 W C 1.306 177.733 176.519 -0.153 0.000 1.157 153 W CA -0.539 56.656 57.345 -0.251 0.000 1.240 153 W CB 1.027 30.152 29.460 -0.559 0.000 1.199 153 W HN 0.055 nan 8.180 nan 0.000 0.579 154 K N 2.297 122.137 120.400 -0.934 0.000 2.059 154 K HA -0.189 4.144 4.320 0.023 0.000 0.212 154 K C 1.747 177.681 176.600 -1.109 0.000 1.050 154 K CA 2.234 58.024 56.287 -0.829 0.000 0.927 154 K CB -0.715 31.456 32.500 -0.548 0.000 0.714 154 K HN 0.767 nan 8.250 nan 0.000 0.447 155 G N -0.664 106.855 108.800 -2.135 0.000 2.712 155 G HA2 -0.084 3.890 3.960 0.023 0.000 0.212 155 G HA3 -0.084 3.890 3.960 0.023 0.000 0.212 155 G C 1.277 175.538 174.900 -1.065 0.000 1.142 155 G CA 0.359 44.182 45.100 -2.127 0.000 0.789 155 G HN 0.266 nan 8.290 nan 0.000 0.535 156 S N 1.810 117.179 115.700 -0.551 0.000 2.365 156 S HA -0.112 4.372 4.470 0.023 0.000 0.225 156 S C 0.117 174.637 174.600 -0.133 0.000 1.039 156 S CA 1.651 59.778 58.200 -0.122 0.000 1.033 156 S CB -0.799 62.419 63.200 0.032 0.000 0.887 156 S HN 0.313 nan 8.310 nan 0.000 0.447 157 P HA -0.014 nan 4.420 nan 0.000 0.215 157 P C 1.430 178.571 177.300 -0.265 0.000 1.153 157 P CA 1.427 64.406 63.100 -0.202 0.000 0.853 157 P CB -0.090 31.470 31.700 -0.234 0.000 0.788 158 A N -0.739 121.880 122.820 -0.336 0.000 1.872 158 A HA -0.132 4.202 4.320 0.023 0.000 0.214 158 A C 2.193 179.661 177.584 -0.193 0.000 1.187 158 A CA 1.291 53.158 52.037 -0.284 0.000 0.614 158 A CB -1.517 17.262 19.000 -0.368 0.000 0.826 158 A HN 0.085 nan 8.150 nan 0.000 0.442 159 I N -1.126 119.307 120.570 -0.229 0.000 2.315 159 I HA -0.204 3.979 4.170 0.023 0.000 0.248 159 I C 2.431 178.556 176.117 0.014 0.000 1.117 159 I CA 1.374 62.618 61.300 -0.094 0.000 1.404 159 I CB -0.395 37.552 38.000 -0.088 0.000 1.071 159 I HN 0.571 nan 8.210 nan 0.000 0.419 160 F N 1.777 121.618 119.950 -0.182 0.000 2.102 160 F HA -0.343 4.198 4.527 0.023 0.000 0.298 160 F C 2.697 178.470 175.800 -0.046 0.000 1.105 160 F CA 1.636 59.519 58.000 -0.195 0.000 1.239 160 F CB -0.070 38.815 39.000 -0.191 0.000 0.991 160 F HN 0.050 nan 8.300 nan 0.000 0.474 161 Q N 0.389 120.156 119.800 -0.056 0.000 2.084 161 Q HA -0.226 4.127 4.340 0.023 0.000 0.202 161 Q C 2.356 178.371 176.000 0.026 0.000 0.978 161 Q CA 2.001 57.722 55.803 -0.135 0.000 0.844 161 Q CB -0.283 28.305 28.738 -0.249 0.000 0.898 161 Q HN 0.438 nan 8.270 nan 0.000 0.426 162 S N -0.801 114.916 115.700 0.027 0.000 2.382 162 S HA -0.141 4.343 4.470 0.023 0.000 0.228 162 S C 1.953 176.590 174.600 0.061 0.000 1.027 162 S CA 1.598 59.822 58.200 0.040 0.000 0.991 162 S CB -0.310 62.909 63.200 0.033 0.000 0.823 162 S HN 0.510 nan 8.310 nan 0.000 0.469 163 S N 1.249 117.010 115.700 0.101 0.000 2.368 163 S HA -0.048 4.435 4.470 0.023 0.000 0.224 163 S C 1.815 176.499 174.600 0.141 0.000 1.029 163 S CA 1.529 59.795 58.200 0.110 0.000 0.988 163 S CB -0.462 62.814 63.200 0.126 0.000 0.838 163 S HN 0.571 nan 8.310 nan 0.000 0.462 164 M N 2.143 121.914 119.600 0.285 0.000 2.213 164 M HA -0.070 4.423 4.480 0.023 0.000 0.263 164 M C 1.838 178.167 176.300 0.048 0.000 1.062 164 M CA 1.562 56.988 55.300 0.210 0.000 1.105 164 M CB -1.399 31.403 32.600 0.336 0.000 1.385 164 M HN 0.184 nan 8.290 nan 0.000 0.417 165 T N 0.320 114.903 114.554 0.049 0.000 2.737 165 T HA -0.124 4.239 4.350 0.023 0.000 0.265 165 T C 1.845 176.535 174.700 -0.017 0.000 1.038 165 T CA 1.558 63.669 62.100 0.018 0.000 1.144 165 T CB -0.140 68.744 68.868 0.027 0.000 0.866 165 T HN 0.417 nan 8.240 nan 0.000 0.434 166 K N 0.646 121.022 120.400 -0.039 0.000 2.020 166 K HA -0.064 4.269 4.320 0.023 0.000 0.212 166 K C 2.238 178.741 176.600 -0.162 0.000 1.050 166 K CA 1.461 57.700 56.287 -0.080 0.000 0.929 166 K CB -0.437 32.001 32.500 -0.103 0.000 0.714 166 K HN 0.335 nan 8.250 nan 0.000 0.443 167 I N 1.143 121.531 120.570 -0.303 0.000 2.335 167 I HA -0.278 3.905 4.170 0.023 0.000 0.251 167 I C 1.958 178.010 176.117 -0.107 0.000 1.129 167 I CA 1.214 62.226 61.300 -0.480 0.000 1.402 167 I CB -0.269 37.333 38.000 -0.664 0.000 1.069 167 I HN 0.170 nan 8.210 nan 0.000 0.424 168 L N 0.183 121.369 121.223 -0.062 0.000 2.554 168 L HA -0.041 4.313 4.340 0.023 0.000 0.226 168 L C 2.352 179.246 176.870 0.040 0.000 1.137 168 L CA 0.309 55.144 54.840 -0.010 0.000 0.863 168 L CB -0.409 41.637 42.059 -0.021 0.000 0.985 168 L HN 0.285 nan 8.230 nan 0.000 0.451 169 E N 1.210 121.429 120.200 0.031 0.000 2.038 169 E HA -0.217 4.147 4.350 0.023 0.000 0.195 169 E C -0.533 176.104 176.600 0.062 0.000 1.000 169 E CA 1.487 57.915 56.400 0.047 0.000 0.803 169 E CB -0.470 29.253 29.700 0.038 0.000 0.750 169 E HN 0.293 nan 8.360 nan 0.000 0.448 170 P HA -0.160 nan 4.420 nan 0.000 0.213 170 P C 1.139 178.452 177.300 0.022 0.000 1.170 170 P CA 1.139 64.283 63.100 0.074 0.000 0.898 170 P CB -0.231 31.563 31.700 0.157 0.000 0.787 171 F N 0.586 120.425 119.950 -0.185 0.000 2.091 171 F HA -0.260 4.280 4.527 0.023 0.000 0.299 171 F C 2.321 178.055 175.800 -0.109 0.000 1.103 171 F CA 1.704 59.577 58.000 -0.212 0.000 1.228 171 F CB -0.342 38.473 39.000 -0.310 0.000 0.984 171 F HN -0.266 nan 8.300 nan 0.000 0.477 172 R N 0.135 120.728 120.500 0.155 0.000 2.091 172 R HA -0.172 4.181 4.340 0.023 0.000 0.238 172 R C 2.168 178.466 176.300 -0.004 0.000 1.136 172 R CA 1.862 58.016 56.100 0.090 0.000 0.959 172 R CB -0.329 30.028 30.300 0.095 0.000 0.856 172 R HN 0.297 nan 8.270 nan 0.000 0.437 173 K N 0.351 120.744 120.400 -0.013 0.000 2.148 173 K HA -0.146 4.188 4.320 0.023 0.000 0.204 173 K C 2.007 178.566 176.600 -0.069 0.000 1.050 173 K CA 1.187 57.459 56.287 -0.025 0.000 0.942 173 K CB 0.084 32.580 32.500 -0.007 0.000 0.724 173 K HN 0.302 nan 8.250 nan 0.000 0.446 174 Q N 0.031 119.752 119.800 -0.132 0.000 2.398 174 Q HA 0.051 4.404 4.340 0.023 0.000 0.204 174 Q C 0.065 175.917 176.000 -0.246 0.000 0.932 174 Q CA 0.468 56.158 55.803 -0.188 0.000 0.916 174 Q CB 0.391 28.985 28.738 -0.240 0.000 1.024 174 Q HN 0.199 nan 8.270 nan 0.000 0.504 175 N N 1.068 119.601 118.700 -0.279 0.000 2.765 175 N HA 0.128 4.882 4.740 0.023 0.000 0.277 175 N C -2.240 173.207 175.510 -0.104 0.000 1.750 175 N CA -0.856 52.046 53.050 -0.246 0.000 0.827 175 N CB 1.309 39.533 38.487 -0.439 0.000 1.200 175 N HN 0.094 nan 8.380 nan 0.000 0.494 176 P HA -0.065 nan 4.420 nan 0.000 0.225 176 P C 0.387 177.682 177.300 -0.007 0.000 1.148 176 P CA 0.967 64.055 63.100 -0.022 0.000 0.779 176 P CB 0.598 32.286 31.700 -0.020 0.000 0.780 177 D N -0.251 120.138 120.400 -0.017 0.000 2.355 177 D HA 0.104 4.758 4.640 0.023 0.000 0.218 177 D C 1.018 177.325 176.300 0.012 0.000 1.004 177 D CA 0.492 54.491 54.000 -0.002 0.000 0.880 177 D CB 0.394 41.190 40.800 -0.007 0.000 0.911 177 D HN 0.311 nan 8.370 nan 0.000 0.528 178 I N 1.007 121.586 120.570 0.015 0.000 2.460 178 I HA 0.187 4.371 4.170 0.023 0.000 0.298 178 I C -0.096 176.038 176.117 0.029 0.000 0.989 178 I CA -1.054 60.269 61.300 0.037 0.000 1.173 178 I CB 2.294 40.341 38.000 0.079 0.000 1.338 178 I HN -0.313 nan 8.210 nan 0.000 0.456 179 V N 4.363 124.262 119.914 -0.025 0.000 2.588 179 V HA 0.637 4.771 4.120 0.023 0.000 0.304 179 V C -0.682 175.290 176.094 -0.203 0.000 1.042 179 V CA -0.544 61.711 62.300 -0.075 0.000 0.877 179 V CB 1.722 33.477 31.823 -0.114 0.000 0.996 179 V HN 0.545 nan 8.190 nan 0.000 0.425 180 I N 5.524 126.049 120.570 -0.075 0.000 2.389 180 I HA 0.484 4.668 4.170 0.023 0.000 0.288 180 I C -0.837 175.375 176.117 0.158 0.000 0.999 180 I CA -0.443 60.819 61.300 -0.064 0.000 1.129 180 I CB 1.595 39.585 38.000 -0.017 0.000 1.288 180 I HN 0.636 nan 8.210 nan 0.000 0.444 181 Y N 4.837 125.170 120.300 0.055 0.000 2.342 181 Y HA 0.427 4.991 4.550 0.023 0.000 0.334 181 Y C 0.145 176.127 175.900 0.137 0.000 1.067 181 Y CA -1.034 57.110 58.100 0.074 0.000 1.128 181 Y CB 1.564 40.038 38.460 0.023 0.000 1.200 181 Y HN 0.450 nan 8.280 nan 0.000 0.464 182 Q N 3.064 123.027 119.800 0.273 0.000 2.307 182 Q HA 0.305 4.659 4.340 0.023 0.000 0.262 182 Q C -1.791 174.366 176.000 0.261 0.000 0.961 182 Q CA -0.757 55.163 55.803 0.195 0.000 0.882 182 Q CB 1.936 30.724 28.738 0.083 0.000 1.264 182 Q HN 0.639 nan 8.270 nan 0.000 0.446 183 Y N 4.801 125.187 120.300 0.143 0.000 2.287 183 Y HA 0.199 4.763 4.550 0.023 0.000 0.325 183 Y C -0.169 175.806 175.900 0.126 0.000 1.139 183 Y CA -0.313 57.885 58.100 0.164 0.000 1.167 183 Y CB 0.480 39.128 38.460 0.314 0.000 1.158 183 Y HN 0.854 nan 8.280 nan 0.000 0.434 184 M N 1.064 120.456 119.600 -0.347 0.000 7.319 184 M HA -0.378 4.116 4.480 0.023 0.000 0.305 184 M C 0.004 176.217 176.300 -0.144 0.000 0.480 184 M CA 2.043 57.172 55.300 -0.287 0.000 1.311 184 M CB -0.997 31.504 32.600 -0.165 0.000 0.421 184 M HN 0.588 nan 8.290 nan 0.000 0.680 185 D N 1.146 121.606 120.400 0.099 0.000 2.349 185 D HA 0.188 4.842 4.640 0.023 0.000 0.224 185 D C -0.519 175.900 176.300 0.198 0.000 1.029 185 D CA 0.798 54.982 54.000 0.307 0.000 0.879 185 D CB -0.192 40.796 40.800 0.314 0.000 0.906 185 D HN 0.326 nan 8.370 nan 0.000 0.528 186 D N -0.443 120.025 120.400 0.114 0.000 2.252 186 D HA 0.417 5.071 4.640 0.023 0.000 0.245 186 D C -0.305 175.888 176.300 -0.180 0.000 1.009 186 D CA -0.470 53.477 54.000 -0.088 0.000 0.870 186 D CB 2.123 42.804 40.800 -0.199 0.000 1.251 186 D HN -0.146 nan 8.370 nan 0.000 0.460 187 L N 2.166 123.166 121.223 -0.371 0.000 2.313 187 L HA 0.445 4.799 4.340 0.023 0.000 0.283 187 L C -1.141 175.389 176.870 -0.567 0.000 1.013 187 L CA -0.904 53.762 54.840 -0.290 0.000 0.816 187 L CB 0.895 42.832 42.059 -0.203 0.000 1.236 187 L HN 0.353 nan 8.230 nan 0.000 0.419 188 Y N 2.578 122.807 120.300 -0.118 0.000 2.334 188 Y HA 0.451 5.016 4.550 0.023 0.000 0.336 188 Y C -0.119 175.630 175.900 -0.251 0.000 0.960 188 Y CA -0.840 57.132 58.100 -0.214 0.000 1.164 188 Y CB 1.769 40.072 38.460 -0.262 0.000 1.155 188 Y HN 0.140 nan 8.280 nan 0.000 0.478 189 V N 3.378 123.221 119.914 -0.119 0.000 2.357 189 V HA 0.847 4.981 4.120 0.023 0.000 0.284 189 V C 0.285 176.382 176.094 0.004 0.000 1.018 189 V CA -0.636 61.601 62.300 -0.105 0.000 0.841 189 V CB 1.198 32.953 31.823 -0.114 0.000 0.991 189 V HN 0.908 nan 8.190 nan 0.000 0.437 190 G N 2.803 111.569 108.800 -0.056 0.000 2.605 190 G HA2 0.866 4.839 3.960 0.023 0.000 0.296 190 G HA3 0.866 4.839 3.960 0.023 0.000 0.296 190 G C -0.749 174.186 174.900 0.059 0.000 1.304 190 G CA -0.137 44.970 45.100 0.011 0.000 0.941 190 G HN 1.096 nan 8.290 nan 0.000 0.475 191 S N -1.035 114.702 115.700 0.062 0.000 2.615 191 S HA 0.448 4.931 4.470 0.023 0.000 0.268 191 S C -1.373 173.236 174.600 0.015 0.000 1.146 191 S CA -0.702 57.544 58.200 0.076 0.000 0.818 191 S CB 1.969 65.293 63.200 0.206 0.000 1.111 191 S HN 0.310 nan 8.310 nan 0.000 0.465 192 D N 0.816 121.229 120.400 0.020 0.000 2.463 192 D HA 0.363 5.016 4.640 0.023 0.000 0.224 192 D C 0.247 176.556 176.300 0.015 0.000 1.174 192 D CA -0.016 53.984 54.000 0.001 0.000 0.829 192 D CB 0.079 40.877 40.800 -0.003 0.000 0.993 192 D HN 0.442 nan 8.370 nan 0.000 0.497 193 L N 0.536 121.787 121.223 0.047 0.000 2.475 193 L HA 0.219 4.573 4.340 0.023 0.000 0.253 193 L C 0.995 177.893 176.870 0.047 0.000 1.198 193 L CA -0.529 54.343 54.840 0.054 0.000 0.814 193 L CB 0.591 42.702 42.059 0.086 0.000 1.134 193 L HN -0.218 nan 8.230 nan 0.000 0.478 194 E N 0.700 120.925 120.200 0.041 0.000 2.414 194 E HA -0.037 4.326 4.350 0.023 0.000 0.263 194 E C 1.287 177.921 176.600 0.058 0.000 1.000 194 E CA -0.048 56.372 56.400 0.034 0.000 0.914 194 E CB 0.873 30.589 29.700 0.027 0.000 0.948 194 E HN 0.523 nan 8.360 nan 0.000 0.444 195 I N 0.628 121.222 120.570 0.040 0.000 2.236 195 I HA -0.241 3.943 4.170 0.023 0.000 0.249 195 I C 1.690 177.863 176.117 0.093 0.000 1.102 195 I CA 1.974 63.308 61.300 0.057 0.000 1.365 195 I CB -0.453 37.561 38.000 0.024 0.000 1.051 195 I HN 0.556 nan 8.210 nan 0.000 0.420 196 G N 0.280 109.119 108.800 0.064 0.000 2.403 196 G HA2 -0.147 3.826 3.960 0.023 0.000 0.216 196 G HA3 -0.147 3.826 3.960 0.023 0.000 0.216 196 G C 1.591 176.528 174.900 0.062 0.000 1.154 196 G CA 0.581 45.716 45.100 0.057 0.000 0.784 196 G HN 0.589 nan 8.290 nan 0.000 0.538 197 Q N -0.636 119.203 119.800 0.064 0.000 2.123 197 Q HA -0.087 4.267 4.340 0.023 0.000 0.199 197 Q C 2.210 178.252 176.000 0.069 0.000 0.966 197 Q CA 1.288 57.122 55.803 0.053 0.000 0.845 197 Q CB -0.235 28.529 28.738 0.043 0.000 0.907 197 Q HN 0.718 nan 8.270 nan 0.000 0.439 198 H N 1.276 120.356 119.070 0.017 0.000 2.290 198 H HA -0.097 4.472 4.556 0.023 0.000 0.298 198 H C 2.207 177.553 175.328 0.030 0.000 1.087 198 H CA 1.880 57.941 56.048 0.022 0.000 1.291 198 H CB 0.088 29.859 29.762 0.015 0.000 1.369 198 H HN -0.017 nan 8.280 nan 0.000 0.492 199 R N -0.088 120.474 120.500 0.103 0.000 2.127 199 R HA -0.123 4.231 4.340 0.023 0.000 0.238 199 R C 1.710 178.007 176.300 -0.006 0.000 1.134 199 R CA 1.882 58.010 56.100 0.046 0.000 0.975 199 R CB -0.545 29.804 30.300 0.082 0.000 0.865 199 R HN 0.427 nan 8.270 nan 0.000 0.447 200 T N 1.388 115.946 114.554 0.007 0.000 2.737 200 T HA -0.051 4.313 4.350 0.023 0.000 0.265 200 T C 1.717 176.423 174.700 0.010 0.000 1.038 200 T CA 1.068 63.174 62.100 0.011 0.000 1.144 200 T CB -0.004 68.874 68.868 0.016 0.000 0.866 200 T HN 0.181 nan 8.240 nan 0.000 0.434 201 K N 0.943 121.337 120.400 -0.009 0.000 2.148 201 K HA 0.068 4.402 4.320 0.023 0.000 0.204 201 K C 2.204 178.843 176.600 0.064 0.000 1.050 201 K CA 0.628 56.948 56.287 0.056 0.000 0.942 201 K CB -0.496 32.021 32.500 0.028 0.000 0.724 201 K HN 0.314 nan 8.250 nan 0.000 0.446 202 I N 1.183 121.692 120.570 -0.102 0.000 2.179 202 I HA -0.235 3.948 4.170 0.023 0.000 0.242 202 I C 2.305 178.381 176.117 -0.068 0.000 1.088 202 I CA 1.343 62.561 61.300 -0.137 0.000 1.357 202 I CB -0.977 36.929 38.000 -0.156 0.000 1.051 202 I HN 0.173 nan 8.210 nan 0.000 0.409 203 E N 1.122 121.307 120.200 -0.024 0.000 2.153 203 E HA -0.253 4.111 4.350 0.023 0.000 0.194 203 E C 2.115 178.737 176.600 0.038 0.000 0.988 203 E CA 1.411 57.813 56.400 0.003 0.000 0.811 203 E CB -0.173 29.536 29.700 0.014 0.000 0.746 203 E HN 0.485 nan 8.360 nan 0.000 0.466 204 E N -0.367 119.885 120.200 0.086 0.000 2.107 204 E HA -0.129 4.235 4.350 0.023 0.000 0.191 204 E C 2.110 178.833 176.600 0.205 0.000 0.982 204 E CA 0.712 57.212 56.400 0.167 0.000 0.809 204 E CB -0.128 29.705 29.700 0.221 0.000 0.756 204 E HN 0.362 nan 8.360 nan 0.000 0.459 205 L N 0.558 121.820 121.223 0.065 0.000 2.027 205 L HA -0.147 4.207 4.340 0.023 0.000 0.206 205 L C 2.609 179.417 176.870 -0.104 0.000 1.074 205 L CA 1.184 55.847 54.840 -0.295 0.000 0.745 205 L CB -0.200 41.402 42.059 -0.761 0.000 0.898 205 L HN 0.141 nan 8.230 nan 0.000 0.433 206 R N -0.484 119.965 120.500 -0.084 0.000 2.096 206 R HA -0.241 4.113 4.340 0.023 0.000 0.240 206 R C 2.199 178.500 176.300 0.002 0.000 1.139 206 R CA 1.922 57.988 56.100 -0.056 0.000 0.952 206 R CB -0.375 29.897 30.300 -0.046 0.000 0.854 206 R HN 0.546 nan 8.270 nan 0.000 0.436 207 Q N -0.848 118.976 119.800 0.040 0.000 2.226 207 Q HA -0.188 4.166 4.340 0.023 0.000 0.204 207 Q C 2.071 178.127 176.000 0.093 0.000 0.975 207 Q CA 1.089 56.927 55.803 0.058 0.000 0.866 207 Q CB -0.128 28.653 28.738 0.071 0.000 0.915 207 Q HN 0.522 nan 8.270 nan 0.000 0.440 208 H N 0.491 119.593 119.070 0.052 0.000 2.395 208 H HA -0.009 4.561 4.556 0.023 0.000 0.299 208 H C 1.848 177.290 175.328 0.191 0.000 1.070 208 H CA 0.895 57.021 56.048 0.129 0.000 1.356 208 H CB 0.250 30.104 29.762 0.153 0.000 1.401 208 H HN 0.214 nan 8.280 nan 0.000 0.524 209 L N 0.037 121.312 121.223 0.086 0.000 2.131 209 L HA -0.139 4.215 4.340 0.023 0.000 0.206 209 L C 2.624 179.503 176.870 0.016 0.000 1.087 209 L CA 0.169 55.018 54.840 0.015 0.000 0.767 209 L CB -0.269 41.730 42.059 -0.101 0.000 0.917 209 L HN 0.170 nan 8.230 nan 0.000 0.441 210 L N 0.204 121.428 121.223 0.001 0.000 2.079 210 L HA -0.206 4.147 4.340 0.023 0.000 0.210 210 L C 2.780 179.637 176.870 -0.020 0.000 1.081 210 L CA 1.645 56.484 54.840 -0.003 0.000 0.752 210 L CB -0.650 41.408 42.059 -0.001 0.000 0.896 210 L HN 0.179 nan 8.230 nan 0.000 0.433 211 R N -1.646 118.814 120.500 -0.066 0.000 2.120 211 R HA -0.218 4.135 4.340 0.023 0.000 0.234 211 R C 1.469 177.611 176.300 -0.264 0.000 1.123 211 R CA 1.614 57.598 56.100 -0.194 0.000 0.975 211 R CB -0.349 29.773 30.300 -0.298 0.000 0.866 211 R HN 0.420 nan 8.270 nan 0.000 0.446 212 W N -0.301 120.909 121.300 -0.150 0.000 3.388 212 W HA 0.305 4.979 4.660 0.023 0.000 0.324 212 W C 0.926 177.429 176.519 -0.026 0.000 1.250 212 W CA 0.548 57.837 57.345 -0.092 0.000 1.809 212 W CB 0.644 30.035 29.460 -0.116 0.000 1.083 212 W HN 0.375 nan 8.180 nan 0.000 0.685 213 G N 0.475 109.355 108.800 0.132 0.000 2.131 213 G HA2 -0.278 3.696 3.960 0.023 0.000 0.223 213 G HA3 -0.278 3.696 3.960 0.023 0.000 0.223 213 G C -0.427 174.540 174.900 0.111 0.000 0.990 213 G CA -0.574 44.597 45.100 0.118 0.000 0.671 213 G HN 0.107 nan 8.290 nan 0.000 0.521 214 L N 2.620 123.868 121.223 0.042 0.000 2.321 214 L HA 0.438 4.792 4.340 0.023 0.000 0.272 214 L C 1.042 177.911 176.870 -0.002 0.000 1.050 214 L CA -0.023 54.793 54.840 -0.040 0.000 0.893 214 L CB 1.220 43.110 42.059 -0.281 0.000 1.272 214 L HN 0.298 nan 8.230 nan 0.000 0.435 215 T N -1.492 113.100 114.554 0.064 0.000 2.771 215 T HA 0.060 4.424 4.350 0.023 0.000 0.277 215 T C 0.512 175.302 174.700 0.149 0.000 0.919 215 T CA -0.382 61.773 62.100 0.092 0.000 1.163 215 T CB 0.184 69.112 68.868 0.101 0.000 0.876 215 T HN 0.434 nan 8.240 nan 0.000 0.545 216 T N 4.634 119.213 114.554 0.042 0.000 2.910 216 T HA 0.376 4.740 4.350 0.023 0.000 0.293 216 T C -1.857 172.830 174.700 -0.021 0.000 1.015 216 T CA -1.266 60.799 62.100 -0.058 0.000 1.094 216 T CB -0.276 68.522 68.868 -0.116 0.000 0.968 216 T HN 0.501 nan 8.240 nan 0.000 0.521 217 P HA -0.166 nan 4.420 nan 0.000 0.298 217 P C -1.078 176.306 177.300 0.140 0.000 1.947 217 P CA 0.618 63.661 63.100 -0.095 0.000 1.730 217 P CB 0.275 31.871 31.700 -0.174 0.000 0.309 218 D N -1.958 118.571 120.400 0.214 0.000 2.671 218 D HA 0.216 4.870 4.640 0.023 0.000 0.232 218 D C 0.485 176.859 176.300 0.122 0.000 1.114 218 D CA -0.727 53.393 54.000 0.199 0.000 0.858 218 D CB 1.116 42.110 40.800 0.323 0.000 1.544 218 D HN 0.072 nan 8.370 nan 0.000 0.471 219 K N 1.068 121.509 120.400 0.069 0.000 2.281 219 K HA -0.154 4.180 4.320 0.023 0.000 0.203 219 K C 1.462 178.073 176.600 0.018 0.000 1.046 219 K CA 0.921 57.232 56.287 0.040 0.000 0.938 219 K CB 0.163 32.680 32.500 0.028 0.000 0.737 219 K HN 0.296 nan 8.250 nan 0.000 0.458 220 K N -0.089 120.299 120.400 -0.021 0.000 2.228 220 K HA -0.073 4.261 4.320 0.023 0.000 0.202 220 K C 1.054 177.542 176.600 -0.185 0.000 1.051 220 K CA 0.831 57.041 56.287 -0.128 0.000 0.960 220 K CB 0.264 32.631 32.500 -0.222 0.000 0.743 220 K HN 0.235 nan 8.250 nan 0.000 0.458 221 H N 0.133 119.247 119.070 0.074 0.000 2.549 221 H HA 0.145 4.715 4.556 0.023 0.000 0.279 221 H C -0.144 175.215 175.328 0.052 0.000 1.018 221 H CA -0.013 56.085 56.048 0.084 0.000 1.175 221 H CB 0.566 30.412 29.762 0.139 0.000 1.485 221 H HN 0.118 nan 8.280 nan 0.000 0.543 222 Q N 1.783 121.657 119.800 0.124 0.000 2.296 222 Q HA 0.148 4.502 4.340 0.023 0.000 0.262 222 Q C 0.181 176.250 176.000 0.116 0.000 0.981 222 Q CA 0.069 55.928 55.803 0.093 0.000 0.905 222 Q CB 1.483 30.261 28.738 0.068 0.000 1.186 222 Q HN 0.340 nan 8.270 nan 0.000 0.399 223 K N 2.246 122.738 120.400 0.153 0.000 2.185 223 K HA 0.294 4.628 4.320 0.023 0.000 0.271 223 K C 0.034 176.794 176.600 0.267 0.000 1.013 223 K CA -0.375 56.051 56.287 0.232 0.000 0.943 223 K CB 0.926 33.622 32.500 0.326 0.000 0.998 223 K HN 0.392 nan 8.250 nan 0.000 0.468 224 E N 1.690 121.974 120.200 0.140 0.000 2.393 224 E HA 0.336 4.700 4.350 0.023 0.000 0.273 224 E C -2.626 173.705 176.600 -0.447 0.000 0.918 224 E CA -2.349 54.019 56.400 -0.053 0.000 0.773 224 E CB 1.365 31.052 29.700 -0.022 0.000 1.275 224 E HN 0.297 nan 8.360 nan 0.000 0.451 225 P HA 0.110 nan 4.420 nan 0.000 0.269 225 P C -2.043 175.071 177.300 -0.309 0.000 1.209 225 P CA -0.606 62.023 63.100 -0.785 0.000 0.776 225 P CB -0.194 31.219 31.700 -0.479 0.000 0.876 226 P HA 0.226 nan 4.420 nan 0.000 0.275 226 P C -1.047 176.008 177.300 -0.408 0.000 1.266 226 P CA 0.061 62.941 63.100 -0.366 0.000 0.793 226 P CB 0.486 31.932 31.700 -0.425 0.000 1.074 227 F N -1.001 118.962 119.950 0.022 0.000 2.480 227 F HA 0.356 4.897 4.527 0.022 0.000 0.329 227 F C 0.580 176.468 175.800 0.147 0.000 1.091 227 F CA -0.865 57.196 58.000 0.102 0.000 0.972 227 F CB 1.146 40.209 39.000 0.105 0.000 1.150 227 F HN -0.004 nan 8.300 nan 0.000 0.467 228 L N 3.368 124.825 121.223 0.391 0.000 2.312 228 L HA 0.100 4.453 4.340 0.023 0.000 0.287 228 L C -0.641 176.456 176.870 0.378 0.000 1.091 228 L CA -0.006 55.013 54.840 0.297 0.000 0.846 228 L CB 0.360 42.539 42.059 0.199 0.000 1.219 228 L HN 0.656 nan 8.230 nan 0.000 0.439 229 W N 7.658 129.014 121.300 0.093 0.000 2.313 229 W HA 0.199 4.872 4.660 0.022 0.000 0.315 229 W C -0.360 176.187 176.519 0.047 0.000 0.917 229 W CA -1.075 56.269 57.345 -0.002 0.000 1.626 229 W CB 1.005 30.408 29.460 -0.096 0.000 1.574 229 W HN 0.482 nan 8.180 nan 0.000 0.395 230 M N 3.904 123.273 119.600 -0.386 0.000 2.852 230 M HA -0.224 4.270 4.480 0.023 0.000 0.176 230 M C 0.942 177.196 176.300 -0.075 0.000 1.160 230 M CA 1.750 56.850 55.300 -0.332 0.000 0.702 230 M CB -2.583 29.689 32.600 -0.546 0.000 1.193 230 M HN 0.776 nan 8.290 nan 0.000 0.775 231 G N -0.874 107.883 108.800 -0.072 0.000 2.199 231 G HA2 -0.302 3.672 3.960 0.023 0.000 0.254 231 G HA3 -0.302 3.672 3.960 0.023 0.000 0.254 231 G C -0.258 174.631 174.900 -0.019 0.000 0.982 231 G CA 0.444 45.492 45.100 -0.086 0.000 0.632 231 G HN 0.667 nan 8.290 nan 0.000 0.529 232 Y N 0.394 120.753 120.300 0.099 0.000 2.528 232 Y HA 0.659 5.222 4.550 0.022 0.000 0.335 232 Y C 0.494 176.493 175.900 0.165 0.000 1.093 232 Y CA -0.893 57.287 58.100 0.134 0.000 1.134 232 Y CB 1.480 39.963 38.460 0.039 0.000 1.253 232 Y HN 0.091 nan 8.280 nan 0.000 0.478 233 E N 2.516 122.935 120.200 0.366 0.000 2.182 233 E HA 0.364 4.727 4.350 0.023 0.000 0.258 233 E C -1.438 175.225 176.600 0.104 0.000 0.879 233 E CA -0.414 56.083 56.400 0.161 0.000 0.754 233 E CB 1.184 30.945 29.700 0.102 0.000 1.162 233 E HN 0.428 nan 8.360 nan 0.000 0.419 234 L N 5.123 126.421 121.223 0.124 0.000 2.268 234 L HA 0.305 4.658 4.340 0.023 0.000 0.289 234 L C 0.277 177.187 176.870 0.067 0.000 1.064 234 L CA -0.435 54.562 54.840 0.262 0.000 0.824 234 L CB -0.077 42.216 42.059 0.390 0.000 1.202 234 L HN 0.440 nan 8.230 nan 0.000 0.433 235 H N 3.307 122.593 119.070 0.361 0.000 2.517 235 H HA 0.250 4.819 4.556 0.022 0.000 0.346 235 H C -1.606 173.909 175.328 0.311 0.000 1.222 235 H CA -2.037 54.148 56.048 0.228 0.000 1.314 235 H CB 1.233 31.090 29.762 0.158 0.000 1.609 235 H HN 0.259 nan 8.280 nan 0.000 0.571 236 P HA -0.157 nan 4.420 nan 0.000 0.216 236 P C 0.764 178.251 177.300 0.311 0.000 1.153 236 P CA 1.698 64.936 63.100 0.231 0.000 0.858 236 P CB 0.299 32.077 31.700 0.130 0.000 0.789 237 D N -2.532 118.055 120.400 0.311 0.000 2.407 237 D HA 0.047 4.700 4.640 0.023 0.000 0.208 237 D C 0.668 177.104 176.300 0.227 0.000 1.083 237 D CA 0.379 54.543 54.000 0.274 0.000 0.844 237 D CB 0.221 41.096 40.800 0.125 0.000 0.967 237 D HN 0.193 nan 8.370 nan 0.000 0.506 238 K N -0.173 120.347 120.400 0.201 0.000 2.672 238 K HA 0.236 4.570 4.320 0.023 0.000 0.295 238 K C -1.493 175.097 176.600 -0.017 0.000 1.042 238 K CA -0.773 55.389 56.287 -0.209 0.000 0.869 238 K CB 0.644 33.044 32.500 -0.166 0.000 1.541 238 K HN 0.146 nan 8.250 nan 0.000 0.396 239 W N 0.474 121.722 121.300 -0.086 0.000 2.781 239 W HA 0.691 5.364 4.660 0.021 0.000 0.345 239 W C -0.854 175.825 176.519 0.267 0.000 1.085 239 W CA -0.924 56.501 57.345 0.135 0.000 1.198 239 W CB 1.166 30.654 29.460 0.047 0.000 1.423 239 W HN 0.841 nan 8.180 nan 0.000 0.532 240 T N -0.973 114.059 114.554 0.796 0.000 2.742 240 T HA 0.614 4.977 4.350 0.023 0.000 0.282 240 T C -0.758 174.300 174.700 0.597 0.000 1.025 240 T CA -0.719 61.763 62.100 0.636 0.000 1.020 240 T CB 1.435 70.574 68.868 0.451 0.000 1.317 240 T HN 0.895 nan 8.240 nan 0.000 0.538 241 V N 0.352 120.481 119.914 0.358 0.000 2.495 241 V HA 0.522 4.655 4.120 0.023 0.000 0.298 241 V C -0.313 175.898 176.094 0.195 0.000 1.031 241 V CA -0.772 61.626 62.300 0.164 0.000 0.871 241 V CB 1.347 33.170 31.823 0.001 0.000 0.988 241 V HN 1.025 nan 8.190 nan 0.000 0.432 242 Q N 5.561 125.450 119.800 0.148 0.000 2.333 242 Q HA 0.181 4.535 4.340 0.023 0.000 0.299 242 Q C -2.243 173.841 176.000 0.139 0.000 1.067 242 Q CA -0.850 55.030 55.803 0.128 0.000 0.943 242 Q CB -0.121 28.660 28.738 0.072 0.000 1.233 242 Q HN 0.630 nan 8.270 nan 0.000 0.401 243 P HA -0.063 nan 4.420 nan 0.000 0.265 243 P C -0.785 176.566 177.300 0.086 0.000 1.187 243 P CA 0.651 63.818 63.100 0.111 0.000 0.766 243 P CB 0.417 32.164 31.700 0.078 0.000 0.820 244 I N 3.138 123.760 120.570 0.087 0.000 2.321 244 I HA 0.172 4.356 4.170 0.023 0.000 0.291 244 I C 0.180 176.309 176.117 0.021 0.000 0.998 244 I CA -1.015 60.321 61.300 0.059 0.000 1.227 244 I CB 1.287 39.344 38.000 0.095 0.000 1.368 244 I HN 0.091 nan 8.210 nan 0.000 0.466 245 V N 6.235 126.158 119.914 0.015 0.000 2.364 245 V HA 0.462 4.596 4.120 0.023 0.000 0.272 245 V C -0.239 175.873 176.094 0.030 0.000 1.036 245 V CA -0.577 61.733 62.300 0.016 0.000 0.880 245 V CB 1.044 32.872 31.823 0.009 0.000 0.991 245 V HN 0.505 nan 8.190 nan 0.000 0.460 246 L N 7.774 129.024 121.223 0.044 0.000 2.272 246 L HA 0.449 4.803 4.340 0.023 0.000 0.284 246 L C -1.806 175.138 176.870 0.123 0.000 1.045 246 L CA -1.583 53.315 54.840 0.095 0.000 0.842 246 L CB 1.493 43.601 42.059 0.082 0.000 1.224 246 L HN 0.537 nan 8.230 nan 0.000 0.430 247 P HA -0.026 nan 4.420 nan 0.000 0.264 247 P C -0.476 176.867 177.300 0.073 0.000 1.183 247 P CA -0.004 63.111 63.100 0.026 0.000 0.763 247 P CB 1.216 32.865 31.700 -0.086 0.000 0.807 248 E N 3.081 123.294 120.200 0.021 0.000 2.174 248 E HA 0.297 4.661 4.350 0.023 0.000 0.282 248 E C -0.224 176.323 176.600 -0.088 0.000 0.992 248 E CA -0.291 56.153 56.400 0.074 0.000 0.803 248 E CB 1.171 30.910 29.700 0.064 0.000 1.090 248 E HN 0.400 nan 8.360 nan 0.000 0.396 249 K N 2.108 122.435 120.400 -0.122 0.000 2.495 249 K HA 0.387 4.721 4.320 0.023 0.000 0.268 249 K C -0.710 175.842 176.600 -0.079 0.000 1.008 249 K CA -0.701 55.392 56.287 -0.324 0.000 0.882 249 K CB 1.133 33.077 32.500 -0.926 0.000 1.443 249 K HN 0.071 nan 8.250 nan 0.000 0.447 250 D N -0.264 120.077 120.400 -0.099 0.000 2.469 250 D HA 0.073 4.727 4.640 0.023 0.000 0.215 250 D C -0.828 175.490 176.300 0.030 0.000 1.154 250 D CA 0.158 54.177 54.000 0.032 0.000 0.832 250 D CB 1.084 41.891 40.800 0.012 0.000 1.008 250 D HN 0.208 nan 8.370 nan 0.000 0.506 251 S N 0.382 116.020 115.700 -0.102 0.000 2.673 251 S HA 0.366 4.850 4.470 0.023 0.000 0.256 251 S C -1.941 172.561 174.600 -0.163 0.000 1.141 251 S CA -0.669 57.498 58.200 -0.054 0.000 1.109 251 S CB -0.025 63.133 63.200 -0.070 0.000 1.101 251 S HN 0.099 nan 8.310 nan 0.000 0.471 252 W N 3.380 124.676 121.300 -0.007 0.000 2.429 252 W HA 0.494 5.169 4.660 0.024 0.000 0.314 252 W C 0.878 177.393 176.519 -0.006 0.000 1.062 252 W CA -0.536 56.805 57.345 -0.007 0.000 1.211 252 W CB 1.438 30.894 29.460 -0.007 0.000 1.305 252 W HN 0.602 nan 8.180 nan 0.000 0.476 253 T N -1.523 113.145 114.554 0.190 0.000 2.912 253 T HA 0.293 4.656 4.350 0.023 0.000 0.280 253 T C 0.928 175.705 174.700 0.128 0.000 0.989 253 T CA -0.737 61.435 62.100 0.119 0.000 0.995 253 T CB 1.257 70.159 68.868 0.057 0.000 1.077 253 T HN 0.194 nan 8.240 nan 0.000 0.531 254 V N 1.610 121.572 119.914 0.081 0.000 2.252 254 V HA -0.225 3.909 4.120 0.023 0.000 0.249 254 V C 2.979 179.115 176.094 0.069 0.000 1.056 254 V CA 2.266 64.605 62.300 0.064 0.000 1.022 254 V CB -1.039 30.809 31.823 0.041 0.000 0.641 254 V HN 0.916 nan 8.190 nan 0.000 0.445 255 N N 0.020 118.756 118.700 0.060 0.000 2.094 255 N HA -0.192 4.562 4.740 0.023 0.000 0.191 255 N C 1.561 177.118 175.510 0.079 0.000 1.023 255 N CA 1.868 54.949 53.050 0.053 0.000 0.857 255 N CB -0.304 38.203 38.487 0.034 0.000 1.013 255 N HN 0.538 nan 8.380 nan 0.000 0.426 256 D N 0.687 121.158 120.400 0.119 0.000 2.097 256 D HA -0.087 4.567 4.640 0.023 0.000 0.195 256 D C 2.155 178.611 176.300 0.260 0.000 0.989 256 D CA 0.643 54.761 54.000 0.197 0.000 0.827 256 D CB -0.273 40.682 40.800 0.259 0.000 0.966 256 D HN 0.370 nan 8.370 nan 0.000 0.456 257 I N 1.041 121.743 120.570 0.220 0.000 2.226 257 I HA -0.282 3.902 4.170 0.023 0.000 0.245 257 I C 2.539 178.692 176.117 0.060 0.000 1.100 257 I CA 1.113 62.474 61.300 0.103 0.000 1.374 257 I CB -0.315 37.708 38.000 0.039 0.000 1.057 257 I HN -0.014 nan 8.210 nan 0.000 0.413 258 Q N 0.613 120.449 119.800 0.060 0.000 2.046 258 Q HA -0.254 4.100 4.340 0.023 0.000 0.200 258 Q C 2.230 178.258 176.000 0.046 0.000 0.975 258 Q CA 1.434 57.262 55.803 0.041 0.000 0.836 258 Q CB -0.172 28.587 28.738 0.035 0.000 0.896 258 Q HN 0.230 nan 8.270 nan 0.000 0.428 259 K N 1.226 121.661 120.400 0.058 0.000 2.009 259 K HA -0.198 4.136 4.320 0.023 0.000 0.210 259 K C 1.884 178.520 176.600 0.060 0.000 1.049 259 K CA 1.071 57.388 56.287 0.051 0.000 0.929 259 K CB -0.604 31.930 32.500 0.055 0.000 0.714 259 K HN 0.126 nan 8.250 nan 0.000 0.440 260 L N 0.077 121.356 121.223 0.093 0.000 2.042 260 L HA -0.134 4.219 4.340 0.023 0.000 0.210 260 L C 1.934 178.829 176.870 0.042 0.000 1.076 260 L CA 1.573 56.465 54.840 0.088 0.000 0.749 260 L CB -0.517 41.608 42.059 0.110 0.000 0.893 260 L HN 0.075 nan 8.230 nan 0.000 0.432 261 V N 0.160 120.091 119.914 0.028 0.000 2.343 261 V HA -0.191 3.943 4.120 0.023 0.000 0.247 261 V C 2.633 178.754 176.094 0.044 0.000 1.051 261 V CA 1.711 64.023 62.300 0.020 0.000 1.036 261 V CB -1.633 30.197 31.823 0.012 0.000 0.654 261 V HN 0.644 nan 8.190 nan 0.000 0.451 262 G N -0.308 108.520 108.800 0.046 0.000 2.514 262 G HA2 -0.370 3.603 3.960 0.023 0.000 0.217 262 G HA3 -0.370 3.603 3.960 0.023 0.000 0.217 262 G C 1.634 176.583 174.900 0.081 0.000 1.198 262 G CA 1.327 46.460 45.100 0.056 0.000 0.780 262 G HN 0.467 nan 8.290 nan 0.000 0.565 263 K N -0.273 120.163 120.400 0.061 0.000 2.103 263 K HA 0.082 4.415 4.320 0.023 0.000 0.207 263 K C 2.535 179.230 176.600 0.158 0.000 1.048 263 K CA 0.811 57.144 56.287 0.077 0.000 0.930 263 K CB -0.266 32.254 32.500 0.033 0.000 0.716 263 K HN 0.333 nan 8.250 nan 0.000 0.444 264 L N 0.764 122.051 121.223 0.107 0.000 2.156 264 L HA -0.151 4.203 4.340 0.023 0.000 0.208 264 L C 2.353 179.289 176.870 0.109 0.000 1.095 264 L CA 0.765 55.660 54.840 0.092 0.000 0.770 264 L CB -0.404 41.675 42.059 0.033 0.000 0.914 264 L HN 0.373 nan 8.230 nan 0.000 0.439 265 N N -0.301 118.469 118.700 0.118 0.000 2.244 265 N HA -0.247 4.506 4.740 0.023 0.000 0.183 265 N C 1.804 177.404 175.510 0.150 0.000 1.016 265 N CA 1.135 54.250 53.050 0.108 0.000 0.866 265 N CB -0.080 38.467 38.487 0.100 0.000 0.980 265 N HN 0.415 nan 8.380 nan 0.000 0.430 266 W N 1.768 123.081 121.300 0.021 0.000 2.388 266 W HA 0.063 4.738 4.660 0.025 0.000 0.294 266 W C 2.292 178.835 176.519 0.041 0.000 1.212 266 W CA 1.926 59.285 57.345 0.023 0.000 1.271 266 W CB -0.366 29.099 29.460 0.008 0.000 1.126 266 W HN 0.119 nan 8.180 nan 0.000 0.535 267 A N -0.032 122.922 122.820 0.223 0.000 2.015 267 A HA -0.156 4.178 4.320 0.023 0.000 0.219 267 A C 2.041 179.667 177.584 0.070 0.000 1.163 267 A CA 1.970 54.103 52.037 0.160 0.000 0.646 267 A CB -1.345 17.792 19.000 0.227 0.000 0.806 267 A HN 0.350 nan 8.150 nan 0.000 0.448 268 S N -0.687 115.023 115.700 0.015 0.000 2.474 268 S HA -0.174 4.309 4.470 0.023 0.000 0.235 268 S C 1.766 176.304 174.600 -0.103 0.000 0.997 268 S CA 1.107 59.298 58.200 -0.015 0.000 0.949 268 S CB -0.300 62.894 63.200 -0.010 0.000 0.766 268 S HN 0.560 nan 8.310 nan 0.000 0.517 269 Q N 1.331 121.012 119.800 -0.199 0.000 2.016 269 Q HA 0.121 4.475 4.340 0.023 0.000 0.200 269 Q C 2.320 178.134 176.000 -0.310 0.000 0.978 269 Q CA 1.495 57.124 55.803 -0.289 0.000 0.833 269 Q CB -0.397 28.106 28.738 -0.392 0.000 0.895 269 Q HN 0.668 nan 8.270 nan 0.000 0.427 270 I N -1.303 119.049 120.570 -0.363 0.000 2.494 270 I HA -0.091 4.093 4.170 0.023 0.000 0.250 270 I C 0.259 176.147 176.117 -0.381 0.000 1.112 270 I CA 0.230 61.296 61.300 -0.389 0.000 1.438 270 I CB 0.021 37.674 38.000 -0.578 0.000 1.111 270 I HN -0.021 nan 8.210 nan 0.000 0.431 271 Y N 2.984 123.201 120.300 -0.138 0.000 2.308 271 Y HA 0.324 4.887 4.550 0.021 0.000 0.329 271 Y C -2.169 173.678 175.900 -0.088 0.000 1.111 271 Y CA -2.808 55.241 58.100 -0.085 0.000 1.179 271 Y CB 0.231 38.657 38.460 -0.056 0.000 1.201 271 Y HN -0.085 nan 8.280 nan 0.000 0.483 272 P HA 0.277 nan 4.420 nan 0.000 0.294 272 P C 0.386 177.699 177.300 0.022 0.000 1.294 272 P CA -0.063 63.042 63.100 0.009 0.000 0.827 272 P CB 1.778 33.462 31.700 -0.027 0.000 0.992 273 G N 2.857 111.655 108.800 -0.003 0.000 2.175 273 G HA2 -0.184 3.789 3.960 0.023 0.000 0.244 273 G HA3 -0.184 3.789 3.960 0.023 0.000 0.244 273 G C 0.210 175.103 174.900 -0.012 0.000 0.982 273 G CA -0.488 44.606 45.100 -0.010 0.000 0.641 273 G HN 0.462 nan 8.290 nan 0.000 0.527 274 I N 0.713 121.283 120.570 -0.001 0.000 2.618 274 I HA 0.385 4.569 4.170 0.023 0.000 0.284 274 I C 0.595 176.702 176.117 -0.018 0.000 1.146 274 I CA 0.601 61.894 61.300 -0.011 0.000 1.425 274 I CB 0.988 38.992 38.000 0.006 0.000 1.383 274 I HN 0.078 nan 8.210 nan 0.000 0.562 275 K N 3.855 124.239 120.400 -0.027 0.000 2.426 275 K HA 0.545 4.879 4.320 0.023 0.000 0.251 275 K C 0.103 176.682 176.600 -0.034 0.000 0.941 275 K CA -0.522 55.748 56.287 -0.029 0.000 0.808 275 K CB 2.498 34.978 32.500 -0.034 0.000 1.265 275 K HN 0.363 nan 8.250 nan 0.000 0.432 276 V N -1.062 118.834 119.914 -0.031 0.000 3.372 276 V HA 0.297 4.431 4.120 0.023 0.000 0.304 276 V C 1.407 177.477 176.094 -0.039 0.000 1.530 276 V CA -0.196 62.081 62.300 -0.038 0.000 1.080 276 V CB 0.438 32.248 31.823 -0.023 0.000 0.929 276 V HN 0.714 nan 8.190 nan 0.000 0.455 277 R N 0.702 121.180 120.500 -0.036 0.000 2.094 277 R HA -0.163 4.191 4.340 0.023 0.000 0.239 277 R C 2.202 178.477 176.300 -0.042 0.000 1.137 277 R CA 2.607 58.687 56.100 -0.034 0.000 0.943 277 R CB -0.092 30.189 30.300 -0.032 0.000 0.850 277 R HN 0.598 nan 8.270 nan 0.000 0.433 278 Q N 0.184 119.953 119.800 -0.052 0.000 2.297 278 Q HA -0.010 4.344 4.340 0.023 0.000 0.204 278 Q C 1.124 177.077 176.000 -0.079 0.000 0.962 278 Q CA 0.686 56.453 55.803 -0.061 0.000 0.879 278 Q CB -0.038 28.662 28.738 -0.064 0.000 0.947 278 Q HN 0.356 nan 8.270 nan 0.000 0.462 282 L N 2.119 123.318 121.223 -0.040 0.000 2.353 282 L HA -0.073 4.281 4.340 0.023 0.000 0.220 282 L C 1.889 178.750 176.870 -0.016 0.000 1.133 282 L CA 1.121 55.940 54.840 -0.034 0.000 0.798 282 L CB -0.401 41.624 42.059 -0.057 0.000 0.922 282 L HN 0.174 nan 8.230 nan 0.000 0.445 283 L N -0.731 120.484 121.223 -0.013 0.000 2.418 283 L HA 0.006 4.360 4.340 0.023 0.000 0.218 283 L C 1.055 177.924 176.870 -0.001 0.000 1.125 283 L CA 0.006 54.844 54.840 -0.002 0.000 0.835 283 L CB -0.297 41.761 42.059 -0.001 0.000 0.953 283 L HN 0.178 nan 8.230 nan 0.000 0.454 284 R N 0.834 121.331 120.500 -0.005 0.000 2.504 284 R HA 0.062 4.415 4.340 0.023 0.000 0.291 284 R C 1.274 177.574 176.300 -0.000 0.000 0.974 284 R CA 0.744 56.842 56.100 -0.003 0.000 1.077 284 R CB -0.191 30.105 30.300 -0.007 0.000 0.926 284 R HN 0.325 nan 8.270 nan 0.000 0.407 285 G N 2.224 111.024 108.800 0.001 0.000 2.180 285 G HA2 -0.362 3.611 3.960 0.023 0.000 0.263 285 G HA3 -0.362 3.611 3.960 0.023 0.000 0.263 285 G C 0.340 175.243 174.900 0.005 0.000 0.989 285 G CA 0.768 45.869 45.100 0.003 0.000 0.692 285 G HN 0.781 nan 8.290 nan 0.000 0.526 286 T N -1.135 113.423 114.554 0.007 0.000 2.908 286 T HA 0.394 4.758 4.350 0.023 0.000 0.301 286 T C 1.411 176.117 174.700 0.010 0.000 1.019 286 T CA 0.706 62.812 62.100 0.011 0.000 1.152 286 T CB 1.347 70.223 68.868 0.014 0.000 0.966 286 T HN 0.778 nan 8.240 nan 0.000 0.540 287 K N 1.377 121.783 120.400 0.011 0.000 2.334 287 K HA 0.527 4.860 4.320 0.023 0.000 0.195 287 K C 0.585 177.192 176.600 0.011 0.000 1.045 287 K CA -0.108 56.185 56.287 0.010 0.000 1.004 287 K CB 0.534 33.039 32.500 0.009 0.000 0.837 287 K HN 0.707 nan 8.250 nan 0.000 0.510 288 A N 0.749 123.577 122.820 0.013 0.000 2.594 288 A HA 0.436 4.769 4.320 0.023 0.000 0.295 288 A C 0.272 177.867 177.584 0.017 0.000 1.071 288 A CA -0.831 51.215 52.037 0.014 0.000 0.685 288 A CB 0.893 19.900 19.000 0.012 0.000 1.285 288 A HN 0.104 nan 8.150 nan 0.000 0.405 289 L N 0.480 121.713 121.223 0.017 0.000 2.056 289 L HA -0.111 4.243 4.340 0.023 0.000 0.207 289 L C 2.723 179.608 176.870 0.024 0.000 1.078 289 L CA 2.117 56.970 54.840 0.020 0.000 0.749 289 L CB -0.493 41.576 42.059 0.016 0.000 0.901 289 L HN 0.986 nan 8.230 nan 0.000 0.433 290 T N -3.271 111.294 114.554 0.017 0.000 3.072 290 T HA -0.124 4.240 4.350 0.023 0.000 0.266 290 T C 0.816 175.528 174.700 0.021 0.000 1.127 290 T CA -0.098 62.011 62.100 0.016 0.000 1.107 290 T CB -0.333 68.540 68.868 0.008 0.000 0.910 290 T HN 0.309 nan 8.240 nan 0.000 0.513 291 E N 1.467 121.681 120.200 0.023 0.000 2.502 291 E HA 0.122 4.486 4.350 0.023 0.000 0.261 291 E C -0.907 175.717 176.600 0.040 0.000 0.974 291 E CA -0.279 56.137 56.400 0.026 0.000 0.936 291 E CB 0.552 30.266 29.700 0.024 0.000 0.926 291 E HN 0.168 nan 8.360 nan 0.000 0.459 292 V N 6.409 126.347 119.914 0.040 0.000 2.364 292 V HA 0.221 4.354 4.120 0.023 0.000 0.272 292 V C -0.081 176.050 176.094 0.062 0.000 1.036 292 V CA -0.497 61.838 62.300 0.059 0.000 0.880 292 V CB 0.739 32.591 31.823 0.048 0.000 0.991 292 V HN 0.500 nan 8.190 nan 0.000 0.460 293 I N 8.352 128.972 120.570 0.083 0.000 2.330 293 I HA 0.406 4.590 4.170 0.023 0.000 0.289 293 I C -1.937 174.223 176.117 0.072 0.000 1.001 293 I CA -2.203 59.134 61.300 0.061 0.000 1.193 293 I CB 1.772 39.797 38.000 0.041 0.000 1.345 293 I HN 0.462 nan 8.210 nan 0.000 0.461 294 P HA 0.138 nan 4.420 nan 0.000 0.271 294 P C -0.633 176.673 177.300 0.010 0.000 1.216 294 P CA -0.215 62.915 63.100 0.051 0.000 0.771 294 P CB 0.634 32.356 31.700 0.035 0.000 0.864 295 L N 2.904 124.121 121.223 -0.009 0.000 2.416 295 L HA 0.166 4.520 4.340 0.023 0.000 0.272 295 L C 1.805 178.642 176.870 -0.054 0.000 1.161 295 L CA -0.378 54.411 54.840 -0.084 0.000 0.845 295 L CB 0.081 42.039 42.059 -0.167 0.000 1.119 295 L HN 0.478 nan 8.230 nan 0.000 0.464 296 T N -1.731 112.785 114.554 -0.064 0.000 2.689 296 T HA 0.012 4.376 4.350 0.023 0.000 0.308 296 T C 0.932 175.604 174.700 -0.046 0.000 1.021 296 T CA -0.313 61.760 62.100 -0.045 0.000 0.973 296 T CB 1.104 69.945 68.868 -0.044 0.000 1.113 296 T HN 0.757 nan 8.240 nan 0.000 0.522 297 E N 0.067 120.246 120.200 -0.034 0.000 2.046 297 E HA -0.143 4.220 4.350 0.023 0.000 0.190 297 E C 1.972 178.548 176.600 -0.040 0.000 0.982 297 E CA 1.011 57.393 56.400 -0.031 0.000 0.800 297 E CB -0.080 29.607 29.700 -0.022 0.000 0.756 297 E HN 0.755 nan 8.360 nan 0.000 0.449 298 E N 0.552 120.727 120.200 -0.042 0.000 2.106 298 E HA -0.129 4.235 4.350 0.023 0.000 0.192 298 E C 1.816 178.377 176.600 -0.065 0.000 0.984 298 E CA 1.165 57.537 56.400 -0.047 0.000 0.806 298 E CB -0.256 29.419 29.700 -0.042 0.000 0.750 298 E HN 0.364 nan 8.360 nan 0.000 0.458 299 A N 0.848 123.619 122.820 -0.081 0.000 1.933 299 A HA -0.233 4.101 4.320 0.023 0.000 0.218 299 A C 2.140 179.642 177.584 -0.136 0.000 1.175 299 A CA 1.736 53.701 52.037 -0.120 0.000 0.628 299 A CB -0.436 18.476 19.000 -0.147 0.000 0.814 299 A HN 0.162 nan 8.150 nan 0.000 0.444 300 E N -0.528 119.607 120.200 -0.108 0.000 2.106 300 E HA -0.140 4.224 4.350 0.023 0.000 0.192 300 E C 1.775 178.334 176.600 -0.067 0.000 0.984 300 E CA 1.062 57.408 56.400 -0.090 0.000 0.806 300 E CB -0.282 29.387 29.700 -0.051 0.000 0.750 300 E HN 0.441 nan 8.360 nan 0.000 0.458 301 L N 0.904 122.093 121.223 -0.057 0.000 2.044 301 L HA -0.043 4.310 4.340 0.023 0.000 0.205 301 L C 2.163 179.002 176.870 -0.052 0.000 1.075 301 L CA 2.086 56.899 54.840 -0.045 0.000 0.747 301 L CB -0.773 41.263 42.059 -0.038 0.000 0.903 301 L HN 0.225 nan 8.230 nan 0.000 0.435 302 E N -0.633 119.529 120.200 -0.064 0.000 2.038 302 E HA -0.293 4.070 4.350 0.023 0.000 0.195 302 E C 2.237 178.791 176.600 -0.076 0.000 1.000 302 E CA 1.807 58.167 56.400 -0.068 0.000 0.803 302 E CB -0.343 29.311 29.700 -0.077 0.000 0.750 302 E HN 0.411 nan 8.360 nan 0.000 0.448 303 L N 0.871 122.033 121.223 -0.102 0.000 2.042 303 L HA -0.167 4.187 4.340 0.023 0.000 0.210 303 L C 2.239 179.070 176.870 -0.066 0.000 1.076 303 L CA 2.294 57.068 54.840 -0.111 0.000 0.749 303 L CB -0.711 41.243 42.059 -0.174 0.000 0.893 303 L HN 0.228 nan 8.230 nan 0.000 0.432 304 A N -0.921 121.867 122.820 -0.053 0.000 1.877 304 A HA -0.267 4.067 4.320 0.023 0.000 0.216 304 A C 2.344 179.908 177.584 -0.034 0.000 1.186 304 A CA 1.783 53.801 52.037 -0.032 0.000 0.620 304 A CB -0.766 18.219 19.000 -0.025 0.000 0.822 304 A HN 0.592 nan 8.150 nan 0.000 0.443 305 E N -0.278 119.898 120.200 -0.040 0.000 2.150 305 E HA -0.185 4.178 4.350 0.023 0.000 0.193 305 E C 1.618 178.189 176.600 -0.048 0.000 0.985 305 E CA 1.069 57.446 56.400 -0.038 0.000 0.814 305 E CB -0.069 29.609 29.700 -0.036 0.000 0.752 305 E HN 0.560 nan 8.360 nan 0.000 0.466 306 N N 0.623 119.288 118.700 -0.058 0.000 2.188 306 N HA -0.110 4.643 4.740 0.023 0.000 0.184 306 N C 1.637 177.093 175.510 -0.091 0.000 1.018 306 N CA 0.826 53.830 53.050 -0.076 0.000 0.858 306 N CB -0.215 38.228 38.487 -0.073 0.000 0.989 306 N HN 0.159 nan 8.380 nan 0.000 0.426 307 R N 0.859 121.322 120.500 -0.062 0.000 2.127 307 R HA -0.066 4.288 4.340 0.023 0.000 0.238 307 R C 1.578 177.841 176.300 -0.061 0.000 1.134 307 R CA 0.928 56.997 56.100 -0.052 0.000 0.975 307 R CB 0.018 30.307 30.300 -0.019 0.000 0.865 307 R HN 0.272 nan 8.270 nan 0.000 0.447 308 E N 0.444 120.612 120.200 -0.054 0.000 2.112 308 E HA -0.071 4.293 4.350 0.023 0.000 0.190 308 E C 2.039 178.606 176.600 -0.055 0.000 0.979 308 E CA 0.789 57.163 56.400 -0.042 0.000 0.814 308 E CB 0.014 29.697 29.700 -0.028 0.000 0.762 308 E HN 0.386 nan 8.360 nan 0.000 0.460 309 I N 0.976 121.496 120.570 -0.082 0.000 2.394 309 I HA -0.203 3.981 4.170 0.023 0.000 0.251 309 I C 2.123 178.105 176.117 -0.226 0.000 1.136 309 I CA 0.721 61.968 61.300 -0.088 0.000 1.425 309 I CB -0.115 37.837 38.000 -0.080 0.000 1.079 309 I HN 0.018 nan 8.210 nan 0.000 0.425 310 L N 0.287 121.293 121.223 -0.360 0.000 2.551 310 L HA -0.101 4.253 4.340 0.023 0.000 0.228 310 L C 1.638 178.391 176.870 -0.195 0.000 1.153 310 L CA 0.798 55.297 54.840 -0.569 0.000 0.851 310 L CB -0.381 41.434 42.059 -0.406 0.000 0.959 310 L HN 0.142 nan 8.230 nan 0.000 0.451 311 K N 0.001 120.358 120.400 -0.073 0.000 2.387 311 K HA 0.102 4.436 4.320 0.023 0.000 0.198 311 K C -0.033 176.607 176.600 0.067 0.000 1.022 311 K CA -0.030 56.263 56.287 0.010 0.000 1.128 311 K CB 0.333 32.833 32.500 -0.001 0.000 0.853 311 K HN 0.280 nan 8.250 nan 0.000 0.523 312 E N 1.905 122.181 120.200 0.126 0.000 2.283 312 E HA 0.080 4.444 4.350 0.023 0.000 0.278 312 E C -2.237 174.509 176.600 0.243 0.000 1.027 312 E CA -2.069 54.437 56.400 0.177 0.000 0.843 312 E CB 0.762 30.590 29.700 0.214 0.000 1.062 312 E HN -0.030 nan 8.360 nan 0.000 0.401 313 P HA 0.058 nan 4.420 nan 0.000 0.237 313 P C -0.489 176.913 177.300 0.170 0.000 1.788 313 P CA -0.064 63.119 63.100 0.138 0.000 1.061 313 P CB -0.069 31.666 31.700 0.059 0.000 1.967 314 V N 5.602 125.595 119.914 0.131 0.000 2.479 314 V HA 0.111 4.245 4.120 0.023 0.000 0.281 314 V C 0.975 177.129 176.094 0.099 0.000 1.031 314 V CA 0.236 62.541 62.300 0.007 0.000 1.038 314 V CB -0.349 31.277 31.823 -0.328 0.000 0.981 314 V HN 0.609 nan 8.190 nan 0.000 0.478 315 H N 3.215 122.176 119.070 -0.181 0.000 2.946 315 H HA 0.878 5.447 4.556 0.023 0.000 0.365 315 H C -0.264 174.453 175.328 -1.019 0.000 1.197 315 H CA -0.636 55.146 56.048 -0.443 0.000 1.131 315 H CB 2.289 31.866 29.762 -0.307 0.000 1.849 315 H HN 0.663 nan 8.280 nan 0.000 0.555 316 G N -0.241 107.301 108.800 -2.096 0.000 2.766 316 G HA2 0.570 4.543 3.960 0.023 0.000 0.288 316 G HA3 0.570 4.543 3.960 0.023 0.000 0.288 316 G C -0.606 173.413 174.900 -1.468 0.000 1.408 316 G CA -0.245 43.611 45.100 -2.072 0.000 0.852 316 G HN 0.828 nan 8.290 nan 0.000 0.487 317 V N -2.915 116.561 119.914 -0.731 0.000 3.182 317 V HA 0.843 4.977 4.120 0.023 0.000 0.311 317 V C -0.891 175.101 176.094 -0.171 0.000 1.221 317 V CA -1.368 60.673 62.300 -0.431 0.000 1.060 317 V CB 1.251 32.993 31.823 -0.135 0.000 1.164 317 V HN 0.626 nan 8.190 nan 0.000 0.466 318 Y N -0.689 119.743 120.300 0.219 0.000 2.519 318 Y HA 0.507 5.072 4.550 0.024 0.000 0.324 318 Y C 0.011 176.111 175.900 0.335 0.000 1.214 318 Y CA -1.037 57.248 58.100 0.310 0.000 1.260 318 Y CB 0.896 39.499 38.460 0.239 0.000 1.311 318 Y HN 0.739 nan 8.280 nan 0.000 0.505 319 Y N 1.480 122.037 120.300 0.427 0.000 2.425 319 Y HA 0.122 4.685 4.550 0.022 0.000 0.331 319 Y C -0.240 175.776 175.900 0.192 0.000 1.157 319 Y CA -0.173 58.109 58.100 0.304 0.000 1.372 319 Y CB 0.552 39.255 38.460 0.404 0.000 1.253 319 Y HN 0.561 nan 8.280 nan 0.000 0.536 320 D N 8.823 129.048 120.400 -0.292 0.000 2.404 320 D HA 0.227 4.881 4.640 0.023 0.000 0.267 320 D C -1.928 173.964 176.300 -0.679 0.000 1.194 320 D CA -2.515 51.269 54.000 -0.361 0.000 0.910 320 D CB 1.239 41.966 40.800 -0.121 0.000 1.090 320 D HN 0.303 nan 8.370 nan 0.000 0.511 321 P HA -0.166 nan 4.420 nan 0.000 0.224 321 P C 0.857 178.005 177.300 -0.254 0.000 1.142 321 P CA 0.774 63.491 63.100 -0.638 0.000 0.778 321 P CB 0.099 31.589 31.700 -0.350 0.000 0.764 322 S N -2.711 112.866 115.700 -0.204 0.000 2.593 322 S HA 0.152 4.636 4.470 0.023 0.000 0.217 322 S C 0.752 175.296 174.600 -0.093 0.000 0.966 322 S CA -0.194 57.940 58.200 -0.111 0.000 0.914 322 S CB -0.263 62.886 63.200 -0.084 0.000 0.776 322 S HN 0.111 nan 8.310 nan 0.000 0.523 323 K N 0.983 121.314 120.400 -0.115 0.000 2.295 323 K HA 0.386 4.720 4.320 0.023 0.000 0.239 323 K C -1.049 175.507 176.600 -0.073 0.000 0.991 323 K CA -0.930 55.309 56.287 -0.080 0.000 0.845 323 K CB 0.836 33.294 32.500 -0.069 0.000 1.197 323 K HN 0.044 nan 8.250 nan 0.000 0.441 324 D N 1.271 121.624 120.400 -0.078 0.000 2.400 324 D HA 0.033 4.686 4.640 0.023 0.000 0.238 324 D C -0.793 175.408 176.300 -0.165 0.000 1.157 324 D CA 0.192 54.126 54.000 -0.109 0.000 0.889 324 D CB 0.718 41.449 40.800 -0.114 0.000 1.199 324 D HN 0.059 nan 8.370 nan 0.000 0.436 325 L N 3.529 124.612 121.223 -0.232 0.000 2.316 325 L HA 0.437 4.790 4.340 0.023 0.000 0.280 325 L C -0.887 175.701 176.870 -0.471 0.000 1.006 325 L CA -0.302 54.306 54.840 -0.386 0.000 0.836 325 L CB 0.777 42.581 42.059 -0.424 0.000 1.221 325 L HN 0.244 nan 8.230 nan 0.000 0.418 326 I N 4.393 124.593 120.570 -0.616 0.000 2.509 326 I HA 0.750 4.934 4.170 0.023 0.000 0.293 326 I C -0.326 175.323 176.117 -0.780 0.000 1.020 326 I CA -0.687 60.179 61.300 -0.723 0.000 1.088 326 I CB 2.082 39.562 38.000 -0.868 0.000 1.267 326 I HN 0.698 nan 8.210 nan 0.000 0.430 327 A N 5.236 127.698 122.820 -0.598 0.000 2.332 327 A HA 0.576 4.909 4.320 0.023 0.000 0.300 327 A C -0.790 176.733 177.584 -0.101 0.000 1.153 327 A CA -0.483 51.332 52.037 -0.369 0.000 0.764 327 A CB 1.123 19.807 19.000 -0.526 0.000 1.174 327 A HN 0.756 nan 8.150 nan 0.000 0.467 328 E N 2.386 122.650 120.200 0.107 0.000 2.191 328 E HA 0.689 5.053 4.350 0.023 0.000 0.274 328 E C -1.213 175.518 176.600 0.218 0.000 0.948 328 E CA -0.477 56.035 56.400 0.187 0.000 0.802 328 E CB 1.110 30.956 29.700 0.243 0.000 1.137 328 E HN 0.642 nan 8.360 nan 0.000 0.397 329 I N 2.899 123.587 120.570 0.198 0.000 2.608 329 I HA 0.286 4.469 4.170 0.023 0.000 0.295 329 I C -0.813 175.434 176.117 0.215 0.000 1.049 329 I CA -0.874 60.561 61.300 0.225 0.000 1.063 329 I CB 2.041 40.152 38.000 0.184 0.000 1.248 329 I HN 0.448 nan 8.210 nan 0.000 0.424 330 Q N 3.934 123.877 119.800 0.238 0.000 2.413 330 Q HA 0.466 4.820 4.340 0.023 0.000 0.276 330 Q C -0.914 175.196 176.000 0.184 0.000 1.099 330 Q CA -0.913 54.995 55.803 0.174 0.000 0.814 330 Q CB 2.517 31.301 28.738 0.077 0.000 1.379 330 Q HN 0.308 nan 8.270 nan 0.000 0.436 331 K N 1.691 122.102 120.400 0.019 0.000 2.263 331 K HA 0.129 4.463 4.320 0.023 0.000 0.272 331 K C 0.044 176.509 176.600 -0.225 0.000 1.033 331 K CA -0.010 56.075 56.287 -0.337 0.000 0.884 331 K CB 0.880 33.105 32.500 -0.458 0.000 1.107 331 K HN 0.749 nan 8.250 nan 0.000 0.460 332 Q N 2.422 122.079 119.800 -0.239 0.000 2.269 332 Q HA 0.053 4.407 4.340 0.023 0.000 0.201 332 Q C 0.148 176.055 176.000 -0.156 0.000 0.946 332 Q CA 0.651 56.366 55.803 -0.147 0.000 0.877 332 Q CB 0.438 29.111 28.738 -0.109 0.000 0.963 332 Q HN 0.868 nan 8.270 nan 0.000 0.472 333 G N -0.108 108.549 108.800 -0.238 0.000 2.441 333 G HA2 0.042 4.016 3.960 0.023 0.000 0.294 333 G HA3 0.042 4.016 3.960 0.023 0.000 0.294 333 G C -1.900 172.848 174.900 -0.254 0.000 1.393 333 G CA -0.860 44.130 45.100 -0.183 0.000 0.796 333 G HN 0.136 nan 8.290 nan 0.000 0.494 334 Q N -0.046 119.653 119.800 -0.169 0.000 2.255 334 Q HA 0.389 4.742 4.340 0.023 0.000 0.280 334 Q C 1.405 177.305 176.000 -0.167 0.000 1.068 334 Q CA 1.615 57.320 55.803 -0.162 0.000 0.911 334 Q CB 0.109 28.775 28.738 -0.120 0.000 1.157 334 Q HN 2.118 nan 8.270 nan 0.000 0.380 335 G N 3.361 112.044 108.800 -0.195 0.000 2.212 335 G HA2 -0.314 3.660 3.960 0.023 0.000 0.266 335 G HA3 -0.314 3.660 3.960 0.023 0.000 0.266 335 G C -0.069 174.744 174.900 -0.145 0.000 0.978 335 G CA 0.406 45.470 45.100 -0.060 0.000 0.632 335 G HN 0.618 nan 8.290 nan 0.000 0.537 336 Q N -0.830 118.735 119.800 -0.392 0.000 2.290 336 Q HA 0.584 4.938 4.340 0.023 0.000 0.259 336 Q C -0.990 174.695 176.000 -0.525 0.000 0.941 336 Q CA -0.678 54.965 55.803 -0.267 0.000 0.912 336 Q CB 1.001 29.640 28.738 -0.165 0.000 1.244 336 Q HN 0.408 nan 8.270 nan 0.000 0.441 337 W N 1.313 122.665 121.300 0.087 0.000 2.739 337 W HA 0.437 5.111 4.660 0.024 0.000 0.331 337 W C -0.342 176.195 176.519 0.030 0.000 1.049 337 W CA -0.631 56.765 57.345 0.084 0.000 1.234 337 W CB 1.839 31.394 29.460 0.158 0.000 1.404 337 W HN 0.462 nan 8.180 nan 0.000 0.477 338 T N -0.099 114.585 114.554 0.217 0.000 2.932 338 T HA 0.837 5.201 4.350 0.023 0.000 0.289 338 T C -1.157 173.629 174.700 0.144 0.000 1.039 338 T CA -0.728 61.402 62.100 0.051 0.000 1.024 338 T CB 1.957 70.807 68.868 -0.029 0.000 1.090 338 T HN 0.511 nan 8.240 nan 0.000 0.496 339 Y N -0.968 119.314 120.300 -0.030 0.000 2.624 339 Y HA 0.687 5.250 4.550 0.021 0.000 0.334 339 Y C -1.717 174.186 175.900 0.004 0.000 1.155 339 Y CA -1.302 56.801 58.100 0.005 0.000 1.046 339 Y CB 1.486 39.945 38.460 -0.000 0.000 1.316 339 Y HN 0.859 nan 8.280 nan 0.000 0.457 340 Q N 3.091 123.019 119.800 0.213 0.000 2.309 340 Q HA 0.580 4.933 4.340 0.023 0.000 0.273 340 Q C -1.879 174.295 176.000 0.290 0.000 1.040 340 Q CA -0.739 55.168 55.803 0.172 0.000 0.834 340 Q CB 2.984 31.785 28.738 0.104 0.000 1.345 340 Q HN 0.918 nan 8.270 nan 0.000 0.414 341 I N 3.508 124.222 120.570 0.239 0.000 2.378 341 I HA 0.540 4.723 4.170 0.023 0.000 0.291 341 I C -0.866 175.286 176.117 0.058 0.000 0.992 341 I CA -0.986 60.329 61.300 0.025 0.000 1.154 341 I CB 0.897 38.883 38.000 -0.024 0.000 1.315 341 I HN 0.703 nan 8.210 nan 0.000 0.448 342 Y N 2.943 123.180 120.300 -0.105 0.000 2.677 342 Y HA 0.514 5.077 4.550 0.021 0.000 0.334 342 Y C 0.009 175.838 175.900 -0.118 0.000 1.154 342 Y CA -0.919 57.134 58.100 -0.078 0.000 1.070 342 Y CB 1.106 39.549 38.460 -0.028 0.000 1.294 342 Y HN 0.405 nan 8.280 nan 0.000 0.475 343 Q N 0.034 119.876 119.800 0.070 0.000 2.431 343 Q HA 0.174 4.528 4.340 0.023 0.000 0.244 343 Q C -0.864 175.193 176.000 0.094 0.000 0.880 343 Q CA 0.388 56.180 55.803 -0.018 0.000 0.954 343 Q CB 1.213 29.949 28.738 -0.004 0.000 1.105 343 Q HN 0.804 nan 8.270 nan 0.000 0.558 344 E N 1.053 121.370 120.200 0.196 0.000 2.275 344 E HA 0.414 4.778 4.350 0.023 0.000 0.270 344 E C -2.867 173.778 176.600 0.074 0.000 0.882 344 E CA -2.525 53.943 56.400 0.113 0.000 0.758 344 E CB 1.688 31.394 29.700 0.011 0.000 1.195 344 E HN -0.255 nan 8.360 nan 0.000 0.419 345 P HA -0.174 nan 4.420 nan 0.000 0.260 345 P C -0.260 176.859 177.300 -0.301 0.000 1.147 345 P CA 1.118 63.977 63.100 -0.401 0.000 0.758 345 P CB -0.227 31.119 31.700 -0.590 0.000 0.744 346 F N -0.611 119.092 119.950 -0.412 0.000 2.705 346 F HA -0.299 4.241 4.527 0.021 0.000 0.413 346 F C 0.713 176.377 175.800 -0.227 0.000 0.588 346 F CA 0.391 58.222 58.000 -0.281 0.000 1.187 346 F CB -1.126 37.765 39.000 -0.182 0.000 1.737 346 F HN 0.351 nan 8.300 nan 0.000 0.285 347 K N 2.300 122.699 120.400 -0.002 0.000 2.296 347 K HA 0.245 4.578 4.320 0.023 0.000 0.257 347 K C -0.190 176.403 176.600 -0.012 0.000 1.088 347 K CA -0.395 55.862 56.287 -0.049 0.000 0.980 347 K CB 0.460 32.950 32.500 -0.016 0.000 1.430 347 K HN 0.039 nan 8.250 nan 0.000 0.441 348 N N 2.666 121.320 118.700 -0.077 0.000 2.530 348 N HA 0.103 4.856 4.740 0.023 0.000 0.273 348 N C 0.944 176.534 175.510 0.133 0.000 1.173 348 N CA -0.023 53.063 53.050 0.060 0.000 0.967 348 N CB 1.278 39.789 38.487 0.039 0.000 1.109 348 N HN 0.345 nan 8.380 nan 0.000 0.453 349 L N 0.608 121.998 121.223 0.279 0.000 2.253 349 L HA 0.186 4.540 4.340 0.023 0.000 0.205 349 L C 0.917 178.148 176.870 0.602 0.000 1.078 349 L CA 0.741 55.855 54.840 0.456 0.000 0.805 349 L CB 0.081 42.385 42.059 0.409 0.000 0.963 349 L HN 0.493 nan 8.230 nan 0.000 0.459 350 K N -0.119 120.534 120.400 0.422 0.000 2.562 350 K HA 0.362 4.695 4.320 0.023 0.000 0.267 350 K C -1.327 175.372 176.600 0.164 0.000 0.938 350 K CA -0.449 56.017 56.287 0.299 0.000 0.840 350 K CB 2.123 34.725 32.500 0.169 0.000 1.390 350 K HN -0.022 nan 8.250 nan 0.000 0.428 351 T N -0.766 113.787 114.554 -0.001 0.000 2.901 351 T HA 0.907 5.271 4.350 0.023 0.000 0.293 351 T C -0.072 174.273 174.700 -0.591 0.000 1.084 351 T CA -0.659 61.283 62.100 -0.264 0.000 1.008 351 T CB 1.969 70.726 68.868 -0.186 0.000 1.170 351 T HN 0.738 nan 8.240 nan 0.000 0.509 352 G N -0.066 108.063 108.800 -1.118 0.000 2.608 352 G HA2 0.629 4.603 3.960 0.023 0.000 0.291 352 G HA3 0.629 4.603 3.960 0.023 0.000 0.291 352 G C -2.116 172.289 174.900 -0.824 0.000 1.425 352 G CA -1.018 43.418 45.100 -1.108 0.000 0.787 352 G HN 0.824 nan 8.290 nan 0.000 0.484 353 K N -0.380 119.730 120.400 -0.484 0.000 2.525 353 K HA 0.560 4.893 4.320 0.023 0.000 0.254 353 K C -1.953 174.566 176.600 -0.136 0.000 0.934 353 K CA -0.797 55.341 56.287 -0.249 0.000 0.802 353 K CB 1.978 34.399 32.500 -0.133 0.000 1.295 353 K HN 0.401 nan 8.250 nan 0.000 0.433 354 Y N 1.584 122.005 120.300 0.202 0.000 2.356 354 Y HA 0.404 4.968 4.550 0.022 0.000 0.334 354 Y C 0.425 176.417 175.900 0.154 0.000 0.958 354 Y CA -0.989 57.226 58.100 0.193 0.000 1.196 354 Y CB 1.571 40.173 38.460 0.238 0.000 1.137 354 Y HN 0.710 nan 8.280 nan 0.000 0.485 355 A N 3.407 126.388 122.820 0.269 0.000 2.587 355 A HA 0.085 4.419 4.320 0.023 0.000 0.233 355 A C 0.630 178.310 177.584 0.160 0.000 1.049 355 A CA -0.348 51.785 52.037 0.160 0.000 0.754 355 A CB -0.068 19.006 19.000 0.122 0.000 0.977 355 A HN 0.805 nan 8.150 nan 0.000 0.509 356 R N 2.576 123.137 120.500 0.101 0.000 2.486 356 R HA 0.097 4.450 4.340 0.023 0.000 0.303 356 R C -0.193 176.159 176.300 0.087 0.000 0.958 356 R CA 0.963 57.112 56.100 0.082 0.000 1.077 356 R CB -0.327 29.989 30.300 0.027 0.000 0.921 356 R HN 0.649 nan 8.270 nan 0.000 0.406 357 M N 5.499 125.165 119.600 0.109 0.000 2.144 357 M HA 0.254 4.748 4.480 0.023 0.000 0.356 357 M C 0.162 176.498 176.300 0.060 0.000 1.217 357 M CA -0.334 55.014 55.300 0.080 0.000 1.087 357 M CB 1.363 34.014 32.600 0.085 0.000 1.609 357 M HN 0.400 nan 8.290 nan 0.000 0.467 358 R N 2.902 123.426 120.500 0.039 0.000 3.956 358 R HA 0.266 4.620 4.340 0.023 0.000 0.237 358 R C 0.329 176.639 176.300 0.017 0.000 1.552 358 R CA -0.234 55.882 56.100 0.026 0.000 1.529 358 R CB -0.333 29.977 30.300 0.017 0.000 1.376 358 R HN 0.822 nan 8.270 nan 0.000 0.733 359 G N -0.111 108.703 108.800 0.023 0.000 2.667 359 G HA2 0.226 4.199 3.960 0.023 0.000 0.250 359 G HA3 0.226 4.199 3.960 0.023 0.000 0.250 359 G C 0.918 175.796 174.900 -0.036 0.000 1.212 359 G CA 0.014 45.111 45.100 -0.005 0.000 0.874 359 G HN 0.422 nan 8.290 nan 0.000 0.561 360 A N -0.135 122.600 122.820 -0.142 0.000 2.066 360 A HA 0.325 4.658 4.320 0.023 0.000 0.218 360 A C 0.756 178.264 177.584 -0.126 0.000 1.157 360 A CA 1.863 53.790 52.037 -0.183 0.000 0.670 360 A CB -0.453 18.354 19.000 -0.321 0.000 0.804 360 A HN 1.458 nan 8.150 nan 0.000 0.453 361 H N -4.728 114.422 119.070 0.133 0.000 3.027 361 H HA 0.561 5.130 4.556 0.022 0.000 0.290 361 H C -0.726 174.704 175.328 0.171 0.000 1.190 361 H CA -0.238 55.900 56.048 0.151 0.000 1.637 361 H CB -0.328 29.533 29.762 0.164 0.000 2.214 361 H HN 0.169 nan 8.280 nan 0.000 0.451 362 T N 1.400 116.143 114.554 0.314 0.000 2.653 362 T HA 0.561 4.925 4.350 0.023 0.000 0.306 362 T C -1.561 173.279 174.700 0.232 0.000 1.426 362 T CA -0.363 61.913 62.100 0.294 0.000 1.008 362 T CB 1.300 70.293 68.868 0.209 0.000 1.692 362 T HN 1.125 nan 8.240 nan 0.000 0.483 363 N N -0.226 118.581 118.700 0.179 0.000 2.571 363 N HA 0.514 5.268 4.740 0.023 0.000 0.273 363 N C -0.180 175.362 175.510 0.053 0.000 1.340 363 N CA -0.719 52.404 53.050 0.121 0.000 0.789 363 N CB 0.929 39.485 38.487 0.115 0.000 1.514 363 N HN 0.336 nan 8.380 nan 0.000 0.499 364 D N -0.277 120.190 120.400 0.113 0.000 2.144 364 D HA -0.089 4.564 4.640 0.023 0.000 0.199 364 D C 1.674 177.964 176.300 -0.018 0.000 0.984 364 D CA 0.997 55.108 54.000 0.186 0.000 0.834 364 D CB -0.148 40.850 40.800 0.330 0.000 0.955 364 D HN 0.373 nan 8.370 nan 0.000 0.465 365 V N 0.677 120.379 119.914 -0.354 0.000 2.427 365 V HA -0.204 3.929 4.120 0.023 0.000 0.248 365 V C 2.299 177.912 176.094 -0.803 0.000 1.051 365 V CA 1.286 63.180 62.300 -0.678 0.000 1.048 365 V CB -0.387 30.700 31.823 -1.227 0.000 0.666 365 V HN 0.069 nan 8.190 nan 0.000 0.456 366 K N 0.733 120.664 120.400 -0.781 0.000 2.025 366 K HA -0.156 4.178 4.320 0.023 0.000 0.207 366 K C 2.175 178.609 176.600 -0.277 0.000 1.049 366 K CA 1.602 57.619 56.287 -0.449 0.000 0.933 366 K CB -0.475 31.937 32.500 -0.147 0.000 0.714 366 K HN 0.479 nan 8.250 nan 0.000 0.438 367 Q N -0.001 119.700 119.800 -0.166 0.000 2.234 367 Q HA -0.139 4.215 4.340 0.023 0.000 0.206 367 Q C 2.037 177.681 176.000 -0.593 0.000 0.980 367 Q CA 1.199 56.923 55.803 -0.131 0.000 0.869 367 Q CB -0.136 28.778 28.738 0.294 0.000 0.912 367 Q HN 0.359 nan 8.270 nan 0.000 0.436 368 L N 0.680 121.478 121.223 -0.709 0.000 2.056 368 L HA -0.169 4.184 4.340 0.023 0.000 0.207 368 L C 2.637 179.019 176.870 -0.814 0.000 1.078 368 L CA 1.925 56.124 54.840 -1.068 0.000 0.749 368 L CB -0.642 40.975 42.059 -0.736 0.000 0.901 368 L HN 0.410 nan 8.230 nan 0.000 0.433 369 T N -3.600 110.595 114.554 -0.599 0.000 2.821 369 T HA -0.205 4.159 4.350 0.023 0.000 0.267 369 T C 1.534 175.975 174.700 -0.432 0.000 1.046 369 T CA 1.253 63.049 62.100 -0.506 0.000 1.139 369 T CB -0.355 68.360 68.868 -0.256 0.000 0.871 369 T HN 0.417 nan 8.240 nan 0.000 0.454 370 E N 1.421 121.395 120.200 -0.377 0.000 2.153 370 E HA 0.025 4.389 4.350 0.023 0.000 0.194 370 E C 2.612 178.974 176.600 -0.396 0.000 0.988 370 E CA 0.952 57.164 56.400 -0.315 0.000 0.811 370 E CB -0.323 29.237 29.700 -0.234 0.000 0.746 370 E HN 0.726 nan 8.360 nan 0.000 0.466 371 A N 0.986 123.496 122.820 -0.516 0.000 1.873 371 A HA -0.109 4.225 4.320 0.023 0.000 0.215 371 A C 2.504 179.886 177.584 -0.337 0.000 1.186 371 A CA 0.898 52.698 52.037 -0.394 0.000 0.616 371 A CB -0.621 18.049 19.000 -0.550 0.000 0.823 371 A HN 0.103 nan 8.150 nan 0.000 0.442 372 V N 0.616 120.208 119.914 -0.537 0.000 2.392 372 V HA -0.295 3.839 4.120 0.023 0.000 0.249 372 V C 2.810 178.637 176.094 -0.446 0.000 1.059 372 V CA 2.298 64.177 62.300 -0.702 0.000 1.051 372 V CB -0.683 30.493 31.823 -1.079 0.000 0.658 372 V HN 0.753 nan 8.190 nan 0.000 0.455 373 Q N 0.413 120.002 119.800 -0.350 0.000 2.083 373 Q HA -0.213 4.141 4.340 0.023 0.000 0.198 373 Q C 2.259 178.171 176.000 -0.148 0.000 0.969 373 Q CA 1.694 57.373 55.803 -0.207 0.000 0.838 373 Q CB -0.081 28.554 28.738 -0.172 0.000 0.900 373 Q HN 0.616 nan 8.270 nan 0.000 0.436 374 K N 0.126 120.404 120.400 -0.203 0.000 2.097 374 K HA -0.049 4.284 4.320 0.023 0.000 0.206 374 K C 2.226 178.789 176.600 -0.061 0.000 1.049 374 K CA 1.267 57.445 56.287 -0.182 0.000 0.933 374 K CB -0.039 32.194 32.500 -0.444 0.000 0.717 374 K HN 0.254 nan 8.250 nan 0.000 0.442 375 I N 0.658 121.195 120.570 -0.055 0.000 2.353 375 I HA -0.226 3.958 4.170 0.023 0.000 0.248 375 I C 2.075 178.219 176.117 0.046 0.000 1.119 375 I CA 1.085 62.346 61.300 -0.064 0.000 1.417 375 I CB -0.410 37.520 38.000 -0.116 0.000 1.078 375 I HN 0.155 nan 8.210 nan 0.000 0.421 376 T N 0.182 114.792 114.554 0.094 0.000 2.708 376 T HA -0.173 4.191 4.350 0.023 0.000 0.266 376 T C 1.930 176.665 174.700 0.058 0.000 1.037 376 T CA 2.108 64.277 62.100 0.115 0.000 1.146 376 T CB -0.339 68.582 68.868 0.087 0.000 0.865 376 T HN 0.346 nan 8.240 nan 0.000 0.435 377 T N 1.807 116.372 114.554 0.018 0.000 2.746 377 T HA -0.085 4.279 4.350 0.023 0.000 0.267 377 T C 1.947 176.644 174.700 -0.004 0.000 1.039 377 T CA 1.169 63.272 62.100 0.005 0.000 1.142 377 T CB -0.251 68.607 68.868 -0.017 0.000 0.866 377 T HN 0.505 nan 8.240 nan 0.000 0.444 378 E N 0.741 120.937 120.200 -0.006 0.000 2.051 378 E HA -0.102 4.262 4.350 0.023 0.000 0.192 378 E C 2.610 179.169 176.600 -0.068 0.000 0.991 378 E CA 1.273 57.650 56.400 -0.039 0.000 0.799 378 E CB -0.074 29.616 29.700 -0.016 0.000 0.748 378 E HN 0.347 nan 8.360 nan 0.000 0.449 379 S N 0.828 116.568 115.700 0.065 0.000 2.359 379 S HA -0.160 4.324 4.470 0.023 0.000 0.224 379 S C 2.045 176.729 174.600 0.141 0.000 1.035 379 S CA 0.935 59.293 58.200 0.263 0.000 1.018 379 S CB -0.233 63.132 63.200 0.276 0.000 0.876 379 S HN 0.214 nan 8.310 nan 0.000 0.448 380 I N 1.151 121.764 120.570 0.071 0.000 2.264 380 I HA -0.160 4.024 4.170 0.023 0.000 0.248 380 I C 2.177 178.284 176.117 -0.017 0.000 1.111 380 I CA 0.846 62.173 61.300 0.045 0.000 1.382 380 I CB -0.469 37.556 38.000 0.042 0.000 1.060 380 I HN 0.150 nan 8.210 nan 0.000 0.418 381 V N 1.150 121.025 119.914 -0.065 0.000 2.270 381 V HA -0.267 3.867 4.120 0.023 0.000 0.245 381 V C 2.270 178.236 176.094 -0.213 0.000 1.043 381 V CA 1.947 64.181 62.300 -0.110 0.000 1.014 381 V CB -0.346 31.411 31.823 -0.110 0.000 0.645 381 V HN 0.305 nan 8.190 nan 0.000 0.447 382 I N -1.442 118.894 120.570 -0.391 0.000 2.202 382 I HA -0.208 3.975 4.170 0.023 0.000 0.242 382 I C 2.084 177.752 176.117 -0.747 0.000 1.091 382 I CA 1.733 62.584 61.300 -0.749 0.000 1.368 382 I CB -0.286 36.851 38.000 -1.439 0.000 1.058 382 I HN 0.412 nan 8.210 nan 0.000 0.410 383 W N 0.201 121.370 121.300 -0.218 0.000 3.008 383 W HA 0.367 5.040 4.660 0.023 0.000 0.355 383 W C 1.428 177.879 176.519 -0.113 0.000 1.095 383 W CA 0.513 57.686 57.345 -0.287 0.000 1.738 383 W CB -0.321 28.826 29.460 -0.521 0.000 1.091 383 W HN 0.329 nan 8.180 nan 0.000 0.574 384 G N 2.278 111.136 108.800 0.098 0.000 2.203 384 G HA2 -0.323 3.651 3.960 0.023 0.000 0.263 384 G HA3 -0.323 3.651 3.960 0.023 0.000 0.263 384 G C 0.132 175.097 174.900 0.109 0.000 1.012 384 G CA 0.808 45.960 45.100 0.087 0.000 0.749 384 G HN 0.276 nan 8.290 nan 0.000 0.512 385 K N -0.867 119.611 120.400 0.130 0.000 2.536 385 K HA 0.639 4.972 4.320 0.023 0.000 0.269 385 K C -0.217 176.423 176.600 0.067 0.000 0.965 385 K CA -0.312 56.029 56.287 0.090 0.000 0.860 385 K CB 1.832 34.379 32.500 0.079 0.000 1.423 385 K HN 0.302 nan 8.250 nan 0.000 0.438 386 T N -0.444 114.128 114.554 0.029 0.000 2.859 386 T HA 0.555 4.918 4.350 0.023 0.000 0.281 386 T C -2.508 172.116 174.700 -0.127 0.000 1.005 386 T CA -1.900 60.200 62.100 0.001 0.000 1.025 386 T CB 1.272 70.184 68.868 0.073 0.000 0.977 386 T HN 0.130 nan 8.240 nan 0.000 0.458 387 P HA 0.332 nan 4.420 nan 0.000 0.274 387 P C -0.757 176.221 177.300 -0.538 0.000 1.256 387 P CA -0.725 62.061 63.100 -0.523 0.000 0.795 387 P CB 0.430 31.664 31.700 -0.777 0.000 1.038 388 K N 0.819 120.940 120.400 -0.464 0.000 2.183 388 K HA 0.407 4.740 4.320 0.023 0.000 0.274 388 K C -0.594 175.791 176.600 -0.359 0.000 1.009 388 K CA -0.278 55.848 56.287 -0.269 0.000 0.888 388 K CB 0.477 32.872 32.500 -0.176 0.000 1.078 388 K HN 0.299 nan 8.250 nan 0.000 0.459 389 F N 1.760 121.671 119.950 -0.065 0.000 2.385 389 F HA 0.286 4.825 4.527 0.020 0.000 0.336 389 F C 0.630 176.459 175.800 0.048 0.000 1.100 389 F CA -0.515 57.457 58.000 -0.047 0.000 1.116 389 F CB 1.179 40.114 39.000 -0.108 0.000 1.166 389 F HN 0.162 nan 8.300 nan 0.000 0.511 390 K N 4.627 125.160 120.400 0.222 0.000 2.464 390 K HA 0.522 4.856 4.320 0.023 0.000 0.252 390 K C -1.355 175.358 176.600 0.188 0.000 1.000 390 K CA -0.334 56.067 56.287 0.189 0.000 0.951 390 K CB 1.176 33.747 32.500 0.118 0.000 1.183 390 K HN 0.497 nan 8.250 nan 0.000 0.445 391 L N 4.236 125.589 121.223 0.217 0.000 2.346 391 L HA 0.451 4.804 4.340 0.023 0.000 0.276 391 L C -1.917 175.069 176.870 0.194 0.000 1.006 391 L CA -2.224 52.664 54.840 0.079 0.000 0.817 391 L CB 1.804 43.701 42.059 -0.269 0.000 1.272 391 L HN 0.379 nan 8.230 nan 0.000 0.421 392 P HA 0.150 nan 4.420 nan 0.000 0.228 392 P C -0.571 176.912 177.300 0.305 0.000 1.748 392 P CA 0.486 63.734 63.100 0.246 0.000 0.909 392 P CB 0.186 31.989 31.700 0.171 0.000 1.882 393 I N -0.650 120.145 120.570 0.377 0.000 2.692 393 I HA 0.245 4.428 4.170 0.023 0.000 0.293 393 I C -0.671 175.540 176.117 0.158 0.000 1.200 393 I CA -1.036 60.364 61.300 0.167 0.000 1.036 393 I CB 2.841 40.811 38.000 -0.050 0.000 1.258 393 I HN -0.133 nan 8.210 nan 0.000 0.421 394 Q N 5.449 125.131 119.800 -0.196 0.000 2.394 394 Q HA 0.199 4.552 4.340 0.023 0.000 0.248 394 Q C 0.508 176.600 176.000 0.153 0.000 0.992 394 Q CA -0.512 55.047 55.803 -0.407 0.000 0.888 394 Q CB 1.177 29.638 28.738 -0.462 0.000 1.257 394 Q HN 0.485 nan 8.270 nan 0.000 0.462 395 K N 1.786 122.281 120.400 0.159 0.000 2.209 395 K HA -0.197 4.136 4.320 0.023 0.000 0.204 395 K C 1.608 178.392 176.600 0.307 0.000 1.048 395 K CA 1.612 58.090 56.287 0.319 0.000 0.940 395 K CB 0.117 32.639 32.500 0.037 0.000 0.729 395 K HN 0.708 nan 8.250 nan 0.000 0.451 396 E N -0.192 120.092 120.200 0.140 0.000 2.158 396 E HA -0.059 4.305 4.350 0.023 0.000 0.191 396 E C 1.544 178.222 176.600 0.129 0.000 0.982 396 E CA 1.135 57.598 56.400 0.105 0.000 0.823 396 E CB -0.363 29.353 29.700 0.026 0.000 0.766 396 E HN -0.049 nan 8.360 nan 0.000 0.468 397 T N 0.717 115.353 114.554 0.137 0.000 2.777 397 T HA -0.170 4.193 4.350 0.023 0.000 0.266 397 T C 1.178 176.043 174.700 0.275 0.000 1.040 397 T CA 1.201 63.383 62.100 0.137 0.000 1.141 397 T CB -0.478 68.430 68.868 0.067 0.000 0.868 397 T HN 0.432 nan 8.240 nan 0.000 0.444 398 W N 2.042 123.466 121.300 0.206 0.000 2.355 398 W HA -0.175 4.496 4.660 0.020 0.000 0.309 398 W C 2.162 178.982 176.519 0.503 0.000 1.206 398 W CA 1.528 59.075 57.345 0.336 0.000 1.284 398 W CB -0.174 29.543 29.460 0.428 0.000 1.145 398 W HN 0.239 nan 8.180 nan 0.000 0.502 399 E N 0.286 120.673 120.200 0.311 0.000 2.038 399 E HA -0.216 4.148 4.350 0.023 0.000 0.195 399 E C 2.139 178.604 176.600 -0.226 0.000 1.000 399 E CA 3.055 59.463 56.400 0.013 0.000 0.803 399 E CB -0.735 29.018 29.700 0.088 0.000 0.750 399 E HN 0.025 nan 8.360 nan 0.000 0.448 400 T N -0.388 114.130 114.554 -0.061 0.000 2.720 400 T HA -0.180 4.183 4.350 0.023 0.000 0.268 400 T C 1.182 175.834 174.700 -0.078 0.000 1.037 400 T CA 1.487 63.541 62.100 -0.077 0.000 1.144 400 T CB -0.473 68.399 68.868 0.007 0.000 0.864 400 T HN 0.408 nan 8.240 nan 0.000 0.444 401 W N 0.561 121.748 121.300 -0.189 0.000 2.474 401 W HA -0.001 4.676 4.660 0.028 0.000 0.319 401 W C 2.191 178.560 176.519 -0.249 0.000 1.165 401 W CA 0.952 58.187 57.345 -0.182 0.000 1.356 401 W CB -0.855 28.522 29.460 -0.138 0.000 1.172 401 W HN 0.381 nan 8.180 nan 0.000 0.478 402 W N 2.318 123.331 121.300 -0.479 0.000 2.304 402 W HA -0.301 4.371 4.660 0.020 0.000 0.315 402 W C 2.335 178.531 176.519 -0.540 0.000 1.233 402 W CA 3.761 60.641 57.345 -0.775 0.000 1.261 402 W CB -1.372 27.333 29.460 -1.259 0.000 1.150 402 W HN 0.031 nan 8.180 nan 0.000 0.494 403 T N -1.786 112.017 114.554 -1.253 0.000 2.849 403 T HA -0.218 4.146 4.350 0.023 0.000 0.270 403 T C 1.466 175.831 174.700 -0.558 0.000 1.066 403 T CA 1.886 63.317 62.100 -1.114 0.000 1.130 403 T CB -0.333 67.936 68.868 -0.998 0.000 0.864 403 T HN 0.236 nan 8.240 nan 0.000 0.481 404 E N -0.519 119.405 120.200 -0.460 0.000 2.340 404 E HA 0.286 4.649 4.350 0.023 0.000 0.198 404 E C -0.067 176.366 176.600 -0.279 0.000 0.961 404 E CA -0.448 55.770 56.400 -0.305 0.000 0.905 404 E CB -0.215 29.347 29.700 -0.231 0.000 0.884 404 E HN 0.606 nan 8.360 nan 0.000 0.491 405 Y N 1.904 121.829 120.300 -0.626 0.000 2.895 405 Y HA -0.202 4.363 4.550 0.025 0.000 0.334 405 Y C 1.353 177.017 175.900 -0.394 0.000 1.261 405 Y CA 0.197 57.897 58.100 -0.667 0.000 1.560 405 Y CB 0.361 38.045 38.460 -1.293 0.000 1.253 405 Y HN 0.262 nan 8.280 nan 0.000 0.582 406 W N 4.297 125.174 121.300 -0.706 0.000 2.468 406 W HA -0.088 4.586 4.660 0.023 0.000 0.262 406 W C -0.386 175.932 176.519 -0.335 0.000 1.241 406 W CA 0.551 57.614 57.345 -0.469 0.000 1.232 406 W CB -0.265 28.910 29.460 -0.475 0.000 1.124 406 W HN 0.562 nan 8.180 nan 0.000 0.597 407 Q N 1.112 120.139 119.800 -1.288 0.000 2.309 407 Q HA 0.545 4.898 4.340 0.023 0.000 0.264 407 Q C -0.416 175.386 176.000 -0.331 0.000 1.008 407 Q CA -0.555 54.635 55.803 -1.021 0.000 0.853 407 Q CB 2.155 29.914 28.738 -1.631 0.000 1.314 407 Q HN 0.027 nan 8.270 nan 0.000 0.448 408 A N 2.396 125.111 122.820 -0.175 0.000 2.488 408 A HA 0.428 4.761 4.320 0.023 0.000 0.249 408 A C -0.144 177.462 177.584 0.037 0.000 1.083 408 A CA 0.387 52.412 52.037 -0.021 0.000 0.768 408 A CB 0.653 19.649 19.000 -0.006 0.000 1.017 408 A HN 0.659 nan 8.150 nan 0.000 0.496 409 T N 1.175 115.814 114.554 0.141 0.000 2.843 409 T HA 0.610 4.974 4.350 0.023 0.000 0.302 409 T C -1.968 172.933 174.700 0.335 0.000 1.232 409 T CA -0.308 61.933 62.100 0.235 0.000 1.009 409 T CB 0.923 70.001 68.868 0.350 0.000 1.254 409 T HN 1.193 nan 8.240 nan 0.000 0.504 410 W N 2.909 124.257 121.300 0.081 0.000 3.298 410 W HA 0.687 5.363 4.660 0.026 0.000 0.302 410 W C -2.584 173.824 176.519 -0.184 0.000 1.255 410 W CA -0.901 56.438 57.345 -0.011 0.000 1.196 410 W CB 0.934 30.349 29.460 -0.076 0.000 1.364 410 W HN 0.695 nan 8.180 nan 0.000 0.566 411 I N 5.427 125.278 120.570 -1.199 0.000 2.499 411 I HA 0.335 4.518 4.170 0.023 0.000 0.288 411 I C -2.011 173.027 176.117 -1.797 0.000 1.048 411 I CA -2.147 58.318 61.300 -1.392 0.000 1.062 411 I CB 2.123 39.201 38.000 -1.537 0.000 1.238 411 I HN 0.062 nan 8.210 nan 0.000 0.426 412 P HA -0.024 nan 4.420 nan 0.000 0.272 412 P C -0.318 176.779 177.300 -0.338 0.000 1.254 412 P CA -0.409 62.082 63.100 -1.015 0.000 0.795 412 P CB 0.424 31.934 31.700 -0.317 0.000 1.022 413 E N 1.533 121.691 120.200 -0.070 0.000 2.765 413 E HA -0.086 4.277 4.350 0.023 0.000 0.256 413 E C -0.898 175.788 176.600 0.142 0.000 0.935 413 E CA 0.715 57.128 56.400 0.022 0.000 0.954 413 E CB 0.050 29.765 29.700 0.027 0.000 0.908 413 E HN 0.403 nan 8.360 nan 0.000 0.500 414 W N 3.304 124.535 121.300 -0.114 0.000 3.042 414 W HA 0.548 5.218 4.660 0.017 0.000 0.342 414 W C -1.247 175.247 176.519 -0.043 0.000 1.240 414 W CA -0.924 56.379 57.345 -0.069 0.000 1.166 414 W CB 0.303 29.660 29.460 -0.171 0.000 1.469 414 W HN 0.533 nan 8.180 nan 0.000 0.579 415 E N 0.717 121.019 120.200 0.169 0.000 2.408 415 E HA 0.570 4.934 4.350 0.023 0.000 0.275 415 E C -2.045 174.770 176.600 0.359 0.000 0.935 415 E CA -0.858 55.525 56.400 -0.028 0.000 0.775 415 E CB 2.940 32.629 29.700 -0.018 0.000 1.277 415 E HN 0.221 nan 8.360 nan 0.000 0.455 416 F N 2.162 122.174 119.950 0.103 0.000 2.412 416 F HA 0.492 5.022 4.527 0.004 0.000 0.348 416 F C -0.983 174.904 175.800 0.145 0.000 1.102 416 F CA -0.713 57.431 58.000 0.241 0.000 1.196 416 F CB 1.513 40.622 39.000 0.181 0.000 1.144 416 F HN 0.293 nan 8.300 nan 0.000 0.541 417 V N 7.433 127.009 119.914 -0.564 0.000 2.525 417 V HA 0.318 4.451 4.120 0.023 0.000 0.299 417 V C -0.819 174.749 176.094 -0.876 0.000 1.034 417 V CA -0.792 61.160 62.300 -0.580 0.000 0.863 417 V CB 1.338 33.066 31.823 -0.158 0.000 0.999 417 V HN 0.836 nan 8.190 nan 0.000 0.423 418 N N 4.550 122.711 118.700 -0.898 0.000 2.895 418 N HA 0.194 4.947 4.740 0.023 0.000 0.277 418 N C -0.490 174.934 175.510 -0.144 0.000 1.185 418 N CA 0.125 52.898 53.050 -0.462 0.000 1.106 418 N CB 0.220 38.585 38.487 -0.204 0.000 1.422 418 N HN 0.737 nan 8.380 nan 0.000 0.521 419 T N 3.592 118.100 114.554 -0.076 0.000 2.991 419 T HA 0.327 4.690 4.350 0.023 0.000 0.347 419 T C -2.483 172.231 174.700 0.024 0.000 1.122 419 T CA -1.090 60.999 62.100 -0.019 0.000 1.062 419 T CB 1.624 70.481 68.868 -0.018 0.000 1.043 419 T HN 0.259 nan 8.240 nan 0.000 0.491 420 P HA 0.138 nan 4.420 nan 0.000 0.267 420 P C -2.164 175.149 177.300 0.022 0.000 1.201 420 P CA -0.874 62.247 63.100 0.036 0.000 0.775 420 P CB -0.072 31.645 31.700 0.029 0.000 0.854 421 P HA 0.209 nan 4.420 nan 0.000 0.277 421 P C -0.836 176.492 177.300 0.046 0.000 1.240 421 P CA -0.025 63.092 63.100 0.028 0.000 0.798 421 P CB 0.830 32.544 31.700 0.024 0.000 0.979 422 L N 1.466 122.717 121.223 0.046 0.000 2.379 422 L HA 0.424 4.778 4.340 0.023 0.000 0.269 422 L C 0.745 177.625 176.870 0.017 0.000 1.084 422 L CA -1.278 53.607 54.840 0.074 0.000 0.802 422 L CB 1.550 43.674 42.059 0.108 0.000 1.175 422 L HN 0.178 nan 8.230 nan 0.000 0.448 423 V N 3.312 123.258 119.914 0.052 0.000 2.432 423 V HA 0.414 4.548 4.120 0.023 0.000 0.275 423 V C -0.196 175.842 176.094 -0.093 0.000 1.043 423 V CA -0.165 62.148 62.300 0.022 0.000 0.925 423 V CB 0.910 32.814 31.823 0.134 0.000 0.985 423 V HN 0.918 nan 8.190 nan 0.000 0.466 424 K N 5.583 125.835 120.400 -0.246 0.000 2.469 424 K HA 0.611 4.944 4.320 0.023 0.000 0.268 424 K C -1.510 174.875 176.600 -0.359 0.000 1.027 424 K CA -1.137 54.968 56.287 -0.304 0.000 0.893 424 K CB 1.946 34.213 32.500 -0.388 0.000 1.460 424 K HN 0.550 nan 8.250 nan 0.000 0.449 425 L N 2.315 123.398 121.223 -0.233 0.000 2.261 425 L HA 0.231 4.585 4.340 0.023 0.000 0.289 425 L C 0.187 176.984 176.870 -0.122 0.000 1.059 425 L CA -0.744 54.025 54.840 -0.118 0.000 0.816 425 L CB 0.093 42.138 42.059 -0.023 0.000 1.191 425 L HN 0.709 nan 8.230 nan 0.000 0.431 426 W N 3.110 124.419 121.300 0.014 0.000 2.364 426 W HA -0.133 4.544 4.660 0.028 0.000 0.281 426 W C 0.480 177.135 176.519 0.226 0.000 1.219 426 W CA 0.467 57.883 57.345 0.119 0.000 1.220 426 W CB -0.321 29.248 29.460 0.181 0.000 1.127 426 W HN 0.521 nan 8.180 nan 0.000 0.556 427 Y N -3.405 117.045 120.300 0.250 0.000 2.677 427 Y HA 0.553 5.115 4.550 0.020 0.000 0.334 427 Y C -1.225 174.768 175.900 0.154 0.000 1.196 427 Y CA -2.309 55.895 58.100 0.173 0.000 1.059 427 Y CB 0.485 39.045 38.460 0.168 0.000 1.315 427 Y HN -0.147 nan 8.280 nan 0.000 0.455 428 Q N 2.832 122.768 119.800 0.227 0.000 2.374 428 Q HA 0.458 4.812 4.340 0.023 0.000 0.250 428 Q C -1.363 174.771 176.000 0.223 0.000 0.918 428 Q CA -0.677 55.203 55.803 0.128 0.000 0.778 428 Q CB 2.450 31.236 28.738 0.081 0.000 1.328 428 Q HN 0.725 nan 8.270 nan 0.000 0.445 429 L N 2.129 123.511 121.223 0.264 0.000 2.529 429 L HA -0.007 4.347 4.340 0.023 0.000 0.287 429 L C 0.859 177.845 176.870 0.194 0.000 1.241 429 L CA 0.273 55.254 54.840 0.235 0.000 0.857 429 L CB 0.172 42.349 42.059 0.196 0.000 1.113 429 L HN 0.441 nan 8.230 nan 0.000 0.504 430 E N 2.516 122.855 120.200 0.232 0.000 2.404 430 E HA 0.014 4.378 4.350 0.023 0.000 0.261 430 E C 0.517 177.282 176.600 0.275 0.000 1.074 430 E CA 0.027 56.558 56.400 0.218 0.000 0.917 430 E CB 0.726 30.546 29.700 0.200 0.000 0.965 430 E HN 0.411 nan 8.360 nan 0.000 0.433 431 K N 0.710 121.196 120.400 0.143 0.000 2.243 431 K HA 0.032 4.366 4.320 0.023 0.000 0.201 431 K C 0.327 176.974 176.600 0.078 0.000 1.051 431 K CA 0.662 57.025 56.287 0.127 0.000 0.970 431 K CB 0.438 32.967 32.500 0.048 0.000 0.755 431 K HN 0.335 nan 8.250 nan 0.000 0.465 432 E N 0.010 120.127 120.200 -0.139 0.000 2.369 432 E HA 0.325 4.689 4.350 0.023 0.000 0.270 432 E C -2.759 173.276 176.600 -0.942 0.000 0.909 432 E CA -2.571 53.552 56.400 -0.461 0.000 0.775 432 E CB 1.616 31.179 29.700 -0.230 0.000 1.270 432 E HN -0.228 nan 8.360 nan 0.000 0.445 433 P HA 0.079 nan 4.420 nan 0.000 0.267 433 P C -0.329 176.773 177.300 -0.329 0.000 1.200 433 P CA 0.344 62.947 63.100 -0.829 0.000 0.772 433 P CB 0.351 31.809 31.700 -0.404 0.000 0.855 434 I N 2.039 122.526 120.570 -0.139 0.000 2.325 434 I HA 0.123 4.306 4.170 0.023 0.000 0.291 434 I C 0.141 176.240 176.117 -0.029 0.000 1.019 434 I CA -0.794 60.475 61.300 -0.052 0.000 1.302 434 I CB 0.868 38.876 38.000 0.012 0.000 1.401 434 I HN 0.000 nan 8.210 nan 0.000 0.485 435 V N 5.900 125.796 119.914 -0.030 0.000 2.614 435 V HA 0.315 4.449 4.120 0.023 0.000 0.291 435 V C 1.198 177.293 176.094 0.002 0.000 1.049 435 V CA 0.534 62.825 62.300 -0.015 0.000 1.038 435 V CB 0.678 32.489 31.823 -0.019 0.000 0.980 435 V HN 1.145 nan 8.190 nan 0.000 0.481 436 G N 3.516 112.322 108.800 0.010 0.000 2.148 436 G HA2 -0.052 3.922 3.960 0.023 0.000 0.254 436 G HA3 -0.052 3.922 3.960 0.023 0.000 0.254 436 G C 0.188 175.105 174.900 0.028 0.000 0.981 436 G CA 0.160 45.270 45.100 0.017 0.000 0.670 436 G HN 1.538 nan 8.290 nan 0.000 0.528 437 A N -0.274 122.568 122.820 0.036 0.000 2.342 437 A HA 0.772 5.106 4.320 0.023 0.000 0.323 437 A C 0.191 177.824 177.584 0.081 0.000 1.125 437 A CA 0.099 52.170 52.037 0.057 0.000 0.785 437 A CB 0.978 20.012 19.000 0.056 0.000 1.221 437 A HN 0.578 nan 8.150 nan 0.000 0.463 438 E N 0.969 121.235 120.200 0.110 0.000 2.481 438 E HA 0.141 4.505 4.350 0.023 0.000 0.263 438 E C -0.607 176.109 176.600 0.194 0.000 0.992 438 E CA 0.541 57.015 56.400 0.124 0.000 0.938 438 E CB 0.398 30.196 29.700 0.163 0.000 0.933 438 E HN 0.510 nan 8.360 nan 0.000 0.453 439 T N 5.416 120.043 114.554 0.122 0.000 2.853 439 T HA 0.270 4.634 4.350 0.023 0.000 0.317 439 T C -0.941 173.840 174.700 0.135 0.000 1.059 439 T CA -0.414 61.767 62.100 0.134 0.000 0.954 439 T CB -0.139 68.785 68.868 0.094 0.000 0.994 439 T HN 0.221 nan 8.240 nan 0.000 0.479 440 F N 2.797 122.703 119.950 -0.073 0.000 2.424 440 F HA 0.363 4.904 4.527 0.024 0.000 0.356 440 F C 0.110 175.876 175.800 -0.055 0.000 1.110 440 F CA -1.248 56.727 58.000 -0.041 0.000 1.161 440 F CB 0.427 39.317 39.000 -0.183 0.000 1.115 440 F HN 0.495 nan 8.300 nan 0.000 0.507 441 Y N 3.408 123.812 120.300 0.173 0.000 2.518 441 Y HA 0.424 4.988 4.550 0.023 0.000 0.344 441 Y C 0.218 176.222 175.900 0.173 0.000 0.982 441 Y CA -0.997 57.177 58.100 0.122 0.000 1.234 441 Y CB 0.650 39.147 38.460 0.061 0.000 1.114 441 Y HN 0.390 nan 8.280 nan 0.000 0.515 442 V N -0.057 119.998 119.914 0.235 0.000 2.716 442 V HA 0.794 4.928 4.120 0.023 0.000 0.304 442 V C -0.640 175.543 176.094 0.148 0.000 1.053 442 V CA -0.475 61.962 62.300 0.228 0.000 0.984 442 V CB 2.016 33.946 31.823 0.177 0.000 1.021 442 V HN 0.615 nan 8.190 nan 0.000 0.467 443 D N 0.727 121.204 120.400 0.129 0.000 2.706 443 D HA 0.698 5.352 4.640 0.023 0.000 0.227 443 D C -0.551 175.788 176.300 0.065 0.000 1.233 443 D CA 0.509 54.555 54.000 0.076 0.000 0.768 443 D CB 1.995 42.829 40.800 0.056 0.000 1.490 443 D HN 1.204 nan 8.370 nan 0.000 0.458 444 G N 0.220 109.049 108.800 0.047 0.000 2.719 444 G HA2 0.831 4.805 3.960 0.023 0.000 0.298 444 G HA3 0.831 4.805 3.960 0.023 0.000 0.298 444 G C -1.551 173.368 174.900 0.031 0.000 1.411 444 G CA -0.198 44.927 45.100 0.041 0.000 0.991 444 G HN 0.613 nan 8.290 nan 0.000 0.509 445 A N -0.138 122.698 122.820 0.027 0.000 2.587 445 A HA 1.088 5.422 4.320 0.023 0.000 0.293 445 A C -0.495 177.103 177.584 0.023 0.000 1.087 445 A CA -0.139 51.915 52.037 0.027 0.000 0.692 445 A CB 1.839 20.857 19.000 0.030 0.000 1.291 445 A HN 2.501 nan 8.150 nan 0.000 0.407 446 A N 0.944 123.778 122.820 0.023 0.000 2.594 446 A HA 0.643 4.977 4.320 0.023 0.000 0.296 446 A C -1.170 176.425 177.584 0.019 0.000 1.061 446 A CA -0.636 51.412 52.037 0.018 0.000 0.689 446 A CB 0.999 20.007 19.000 0.014 0.000 1.280 446 A HN 0.876 nan 8.150 nan 0.000 0.406 447 N N 1.078 119.787 118.700 0.015 0.000 2.420 447 N HA 0.062 4.815 4.740 0.023 0.000 0.262 447 N C 0.682 176.199 175.510 0.013 0.000 1.144 447 N CA -0.232 52.827 53.050 0.015 0.000 0.952 447 N CB 0.727 39.221 38.487 0.012 0.000 1.081 447 N HN 0.586 nan 8.380 nan 0.000 0.480 448 R N 2.733 123.242 120.500 0.015 0.000 2.285 448 R HA -0.044 4.309 4.340 0.023 0.000 0.213 448 R C 0.834 177.140 176.300 0.009 0.000 1.068 448 R CA 0.870 56.977 56.100 0.012 0.000 1.004 448 R CB 0.238 30.547 30.300 0.015 0.000 0.873 448 R HN 0.710 nan 8.270 nan 0.000 0.467 449 E N -1.125 119.081 120.200 0.009 0.000 2.079 449 E HA -0.053 4.310 4.350 0.023 0.000 0.191 449 E C 1.729 178.332 176.600 0.006 0.000 0.961 449 E CA 1.366 57.771 56.400 0.008 0.000 0.823 449 E CB 0.025 29.730 29.700 0.008 0.000 0.789 449 E HN 0.318 nan 8.360 nan 0.000 0.459 450 T N -0.814 113.743 114.554 0.007 0.000 3.023 450 T HA -0.016 4.348 4.350 0.023 0.000 0.266 450 T C 0.819 175.522 174.700 0.005 0.000 1.093 450 T CA 0.512 62.615 62.100 0.005 0.000 1.129 450 T CB -0.200 68.671 68.868 0.006 0.000 0.899 450 T HN 0.044 nan 8.240 nan 0.000 0.491 451 K N 0.616 121.020 120.400 0.006 0.000 3.129 451 K HA -0.113 4.220 4.320 0.023 0.000 0.273 451 K C -0.735 175.868 176.600 0.005 0.000 1.123 451 K CA 0.266 56.555 56.287 0.004 0.000 0.800 451 K CB -2.149 30.352 32.500 0.002 0.000 1.238 451 K HN 0.503 nan 8.250 nan 0.000 0.492 452 L N 0.488 121.714 121.223 0.006 0.000 2.296 452 L HA 0.622 4.975 4.340 0.023 0.000 0.286 452 L C 0.823 177.698 176.870 0.008 0.000 1.023 452 L CA -0.496 54.348 54.840 0.006 0.000 0.812 452 L CB 1.793 43.855 42.059 0.006 0.000 1.223 452 L HN 0.235 nan 8.230 nan 0.000 0.421 453 G N 2.579 111.385 108.800 0.009 0.000 2.788 453 G HA2 0.684 4.657 3.960 0.023 0.000 0.293 453 G HA3 0.684 4.657 3.960 0.023 0.000 0.293 453 G C -1.683 173.224 174.900 0.011 0.000 1.392 453 G CA -0.576 44.531 45.100 0.011 0.000 0.810 453 G HN 0.418 nan 8.290 nan 0.000 0.508 454 K N -0.862 119.546 120.400 0.014 0.000 2.469 454 K HA 0.735 5.068 4.320 0.023 0.000 0.254 454 K C -0.909 175.702 176.600 0.019 0.000 0.939 454 K CA -0.683 55.611 56.287 0.012 0.000 0.812 454 K CB 2.747 35.249 32.500 0.004 0.000 1.301 454 K HN 0.788 nan 8.250 nan 0.000 0.433 455 A N 0.909 123.742 122.820 0.022 0.000 2.454 455 A HA 0.968 5.302 4.320 0.023 0.000 0.302 455 A C -0.598 177.000 177.584 0.025 0.000 1.079 455 A CA -0.334 51.727 52.037 0.040 0.000 0.731 455 A CB 1.984 21.021 19.000 0.062 0.000 1.299 455 A HN 0.810 nan 8.150 nan 0.000 0.413 456 G N -0.857 107.973 108.800 0.050 0.000 2.340 456 G HA2 0.660 4.633 3.960 0.023 0.000 0.299 456 G HA3 0.660 4.633 3.960 0.023 0.000 0.299 456 G C -1.459 173.516 174.900 0.125 0.000 1.291 456 G CA 0.289 45.381 45.100 -0.013 0.000 0.841 456 G HN 2.144 nan 8.290 nan 0.000 0.500 457 Y N -2.883 117.479 120.300 0.104 0.000 2.689 457 Y HA 0.794 5.358 4.550 0.023 0.000 0.333 457 Y C -1.242 174.705 175.900 0.078 0.000 1.208 457 Y CA -1.714 56.472 58.100 0.142 0.000 1.055 457 Y CB 1.380 40.007 38.460 0.278 0.000 1.304 457 Y HN 0.805 nan 8.280 nan 0.000 0.455 458 V N 1.771 121.904 119.914 0.365 0.000 2.610 458 V HA 0.524 4.657 4.120 0.023 0.000 0.298 458 V C -0.236 175.944 176.094 0.144 0.000 1.067 458 V CA -0.144 62.261 62.300 0.174 0.000 0.894 458 V CB 1.361 33.212 31.823 0.046 0.000 1.015 458 V HN 1.134 nan 8.190 nan 0.000 0.432 459 T N 0.600 115.134 114.554 -0.034 0.000 2.902 459 T HA 0.238 4.601 4.350 0.023 0.000 0.280 459 T C 1.315 175.971 174.700 -0.072 0.000 0.992 459 T CA -0.087 61.887 62.100 -0.209 0.000 1.015 459 T CB 1.197 69.616 68.868 -0.748 0.000 1.044 459 T HN 0.690 nan 8.240 nan 0.000 0.520 460 N N 1.844 120.538 118.700 -0.009 0.000 2.289 460 N HA -0.164 4.589 4.740 0.023 0.000 0.184 460 N C 1.276 176.766 175.510 -0.032 0.000 1.016 460 N CA 0.870 53.926 53.050 0.011 0.000 0.872 460 N CB -0.409 38.120 38.487 0.069 0.000 0.973 460 N HN 0.696 nan 8.380 nan 0.000 0.433 461 R N -0.231 120.228 120.500 -0.067 0.000 2.325 461 R HA 0.152 4.506 4.340 0.023 0.000 0.214 461 R C 0.956 177.223 176.300 -0.055 0.000 0.961 461 R CA 0.447 56.514 56.100 -0.056 0.000 1.086 461 R CB -0.091 30.172 30.300 -0.062 0.000 1.037 461 R HN 0.464 nan 8.270 nan 0.000 0.493 462 G N 1.468 110.232 108.800 -0.059 0.000 2.225 462 G HA2 -0.355 3.619 3.960 0.023 0.000 0.254 462 G HA3 -0.355 3.619 3.960 0.023 0.000 0.254 462 G C 0.293 175.172 174.900 -0.036 0.000 0.988 462 G CA 0.032 45.105 45.100 -0.044 0.000 0.625 462 G HN 0.386 nan 8.290 nan 0.000 0.527 463 R N 1.437 121.909 120.500 -0.047 0.000 2.623 463 R HA 0.428 4.781 4.340 0.023 0.000 0.271 463 R C 0.492 176.837 176.300 0.075 0.000 1.043 463 R CA 1.061 57.168 56.100 0.012 0.000 1.083 463 R CB 0.105 30.403 30.300 -0.004 0.000 0.974 463 R HN 0.699 nan 8.270 nan 0.000 0.436 464 Q N 2.207 122.036 119.800 0.048 0.000 2.534 464 Q HA 0.514 4.867 4.340 0.023 0.000 0.290 464 Q C -1.756 174.021 176.000 -0.370 0.000 0.991 464 Q CA -1.212 54.505 55.803 -0.143 0.000 0.783 464 Q CB 2.265 30.941 28.738 -0.104 0.000 1.470 464 Q HN 0.561 nan 8.270 nan 0.000 0.406 465 K N 0.109 120.131 120.400 -0.630 0.000 2.625 465 K HA 0.646 4.980 4.320 0.023 0.000 0.284 465 K C -2.351 174.032 176.600 -0.361 0.000 0.984 465 K CA -0.724 55.266 56.287 -0.496 0.000 0.865 465 K CB 2.831 34.966 32.500 -0.607 0.000 1.468 465 K HN 0.554 nan 8.250 nan 0.000 0.407 466 V N 2.881 122.680 119.914 -0.192 0.000 2.817 466 V HA 0.561 4.695 4.120 0.023 0.000 0.303 466 V C -1.851 174.206 176.094 -0.061 0.000 1.151 466 V CA -0.510 61.726 62.300 -0.108 0.000 0.929 466 V CB 2.003 33.781 31.823 -0.076 0.000 1.030 466 V HN 0.548 nan 8.190 nan 0.000 0.427 467 V N 5.066 124.963 119.914 -0.028 0.000 2.628 467 V HA 0.642 4.775 4.120 0.023 0.000 0.306 467 V C 0.234 176.329 176.094 0.002 0.000 1.045 467 V CA -0.223 62.074 62.300 -0.005 0.000 0.905 467 V CB 2.493 34.327 31.823 0.018 0.000 0.997 467 V HN 1.022 nan 8.190 nan 0.000 0.436 468 T N 3.509 118.065 114.554 0.003 0.000 2.767 468 T HA 0.784 5.147 4.350 0.023 0.000 0.288 468 T C -0.729 173.977 174.700 0.010 0.000 0.963 468 T CA -0.492 61.611 62.100 0.005 0.000 1.019 468 T CB 0.652 69.521 68.868 0.002 0.000 0.923 468 T HN 0.370 nan 8.240 nan 0.000 0.468 469 L N 3.360 124.589 121.223 0.011 0.000 2.385 469 L HA 0.645 4.998 4.340 0.023 0.000 0.273 469 L C 0.440 177.315 176.870 0.008 0.000 0.990 469 L CA -1.011 53.836 54.840 0.012 0.000 0.821 469 L CB 2.517 44.585 42.059 0.015 0.000 1.279 469 L HN 0.928 nan 8.230 nan 0.000 0.412 470 T N -2.390 112.167 114.554 0.006 0.000 2.888 470 T HA 0.458 4.821 4.350 0.023 0.000 0.284 470 T C -0.127 174.575 174.700 0.002 0.000 1.017 470 T CA -0.542 61.560 62.100 0.004 0.000 1.022 470 T CB 1.705 70.575 68.868 0.004 0.000 1.013 470 T HN 0.668 nan 8.240 nan 0.000 0.465 471 D N 0.015 120.416 120.400 0.001 0.000 2.760 471 D HA -0.161 4.492 4.640 0.023 0.000 0.244 471 D C -0.352 175.946 176.300 -0.003 0.000 1.123 471 D CA 1.604 55.603 54.000 -0.001 0.000 0.719 471 D CB -1.167 39.632 40.800 -0.002 0.000 1.045 471 D HN 0.966 nan 8.370 nan 0.000 0.426 472 T N -0.787 113.766 114.554 -0.002 0.000 2.901 472 T HA 0.770 5.134 4.350 0.023 0.000 0.293 472 T C 0.001 174.698 174.700 -0.004 0.000 1.084 472 T CA 0.244 62.342 62.100 -0.004 0.000 1.008 472 T CB 1.557 70.425 68.868 -0.001 0.000 1.170 472 T HN 0.273 nan 8.240 nan 0.000 0.509 473 T N 0.795 115.343 114.554 -0.009 0.000 2.948 473 T HA 0.419 4.783 4.350 0.023 0.000 0.285 473 T C 1.163 175.861 174.700 -0.004 0.000 1.019 473 T CA -0.769 61.326 62.100 -0.008 0.000 1.013 473 T CB 1.219 70.077 68.868 -0.017 0.000 1.117 473 T HN 0.514 nan 8.240 nan 0.000 0.533 474 N N -0.172 118.529 118.700 0.003 0.000 2.188 474 N HA -0.139 4.615 4.740 0.023 0.000 0.184 474 N C 1.768 177.281 175.510 0.004 0.000 1.018 474 N CA 1.244 54.301 53.050 0.011 0.000 0.858 474 N CB -0.264 38.236 38.487 0.023 0.000 0.989 474 N HN 0.779 nan 8.380 nan 0.000 0.426 475 Q N 0.870 120.663 119.800 -0.012 0.000 2.061 475 Q HA -0.133 4.221 4.340 0.023 0.000 0.204 475 Q C 1.651 177.616 176.000 -0.059 0.000 0.984 475 Q CA 1.432 57.211 55.803 -0.040 0.000 0.846 475 Q CB 0.063 28.752 28.738 -0.082 0.000 0.902 475 Q HN 0.286 nan 8.270 nan 0.000 0.421 476 K N -0.383 119.982 120.400 -0.058 0.000 2.152 476 K HA -0.130 4.203 4.320 0.023 0.000 0.206 476 K C 2.140 178.729 176.600 -0.018 0.000 1.048 476 K CA 1.739 57.993 56.287 -0.055 0.000 0.933 476 K CB -0.100 32.372 32.500 -0.047 0.000 0.721 476 K HN 0.455 nan 8.250 nan 0.000 0.447 477 T N -0.967 113.587 114.554 -0.000 0.000 2.851 477 T HA -0.071 4.293 4.350 0.023 0.000 0.262 477 T C 1.717 176.439 174.700 0.036 0.000 1.043 477 T CA 0.768 62.882 62.100 0.022 0.000 1.140 477 T CB -0.153 68.728 68.868 0.023 0.000 0.872 477 T HN 0.222 nan 8.240 nan 0.000 0.446 478 E N 1.237 121.455 120.200 0.030 0.000 2.077 478 E HA -0.015 4.349 4.350 0.023 0.000 0.193 478 E C 2.204 178.836 176.600 0.053 0.000 0.989 478 E CA 1.061 57.489 56.400 0.047 0.000 0.800 478 E CB -0.361 29.369 29.700 0.049 0.000 0.746 478 E HN 0.466 nan 8.360 nan 0.000 0.452 479 L N 0.531 121.768 121.223 0.024 0.000 2.109 479 L HA -0.176 4.177 4.340 0.023 0.000 0.207 479 L C 2.639 179.548 176.870 0.063 0.000 1.086 479 L CA 0.785 55.638 54.840 0.022 0.000 0.760 479 L CB -0.240 41.786 42.059 -0.055 0.000 0.910 479 L HN 0.127 nan 8.230 nan 0.000 0.437 480 Q N 0.624 120.463 119.800 0.065 0.000 2.167 480 Q HA -0.130 4.224 4.340 0.023 0.000 0.202 480 Q C 2.167 178.265 176.000 0.164 0.000 0.970 480 Q CA 1.817 57.697 55.803 0.127 0.000 0.855 480 Q CB -0.159 28.631 28.738 0.088 0.000 0.911 480 Q HN 0.404 nan 8.270 nan 0.000 0.438 481 A N 0.484 123.379 122.820 0.125 0.000 1.865 481 A HA -0.171 4.163 4.320 0.023 0.000 0.217 481 A C 2.140 179.813 177.584 0.148 0.000 1.191 481 A CA 1.664 53.790 52.037 0.148 0.000 0.623 481 A CB -0.854 18.221 19.000 0.124 0.000 0.826 481 A HN 0.481 nan 8.150 nan 0.000 0.444 482 I N -1.996 118.639 120.570 0.109 0.000 2.208 482 I HA -0.281 3.903 4.170 0.023 0.000 0.245 482 I C 2.499 178.651 176.117 0.058 0.000 1.097 482 I CA 1.828 63.164 61.300 0.061 0.000 1.363 482 I CB -0.463 37.572 38.000 0.059 0.000 1.051 482 I HN 0.523 nan 8.210 nan 0.000 0.413 483 Y N 1.692 121.977 120.300 -0.024 0.000 2.145 483 Y HA -0.232 4.331 4.550 0.021 0.000 0.286 483 Y C 2.314 178.194 175.900 -0.033 0.000 1.145 483 Y CA 1.518 59.596 58.100 -0.038 0.000 1.148 483 Y CB -0.484 37.965 38.460 -0.018 0.000 0.981 483 Y HN 0.017 nan 8.280 nan 0.000 0.507 484 L N -0.533 120.659 121.223 -0.051 0.000 2.046 484 L HA -0.245 4.109 4.340 0.023 0.000 0.208 484 L C 2.741 179.536 176.870 -0.126 0.000 1.077 484 L CA 1.268 56.074 54.840 -0.057 0.000 0.747 484 L CB -0.992 41.187 42.059 0.201 0.000 0.896 484 L HN 0.313 nan 8.230 nan 0.000 0.432 485 A N -0.144 122.562 122.820 -0.190 0.000 1.972 485 A HA -0.164 4.170 4.320 0.023 0.000 0.219 485 A C 2.236 179.316 177.584 -0.841 0.000 1.169 485 A CA 1.406 53.015 52.037 -0.713 0.000 0.635 485 A CB -0.585 18.103 19.000 -0.519 0.000 0.810 485 A HN 0.378 nan 8.150 nan 0.000 0.446 486 L N -1.072 119.863 121.223 -0.481 0.000 2.109 486 L HA -0.205 4.148 4.340 0.023 0.000 0.207 486 L C 2.894 179.542 176.870 -0.370 0.000 1.086 486 L CA 1.268 55.872 54.840 -0.393 0.000 0.760 486 L CB -0.496 41.429 42.059 -0.224 0.000 0.910 486 L HN 0.487 nan 8.230 nan 0.000 0.437 487 Q N -0.045 119.507 119.800 -0.414 0.000 1.990 487 Q HA -0.202 4.152 4.340 0.023 0.000 0.200 487 Q C 1.700 177.577 176.000 -0.204 0.000 0.980 487 Q CA 1.661 57.267 55.803 -0.328 0.000 0.832 487 Q CB -0.150 28.358 28.738 -0.384 0.000 0.897 487 Q HN 0.437 nan 8.270 nan 0.000 0.427 488 D N 0.815 121.110 120.400 -0.174 0.000 2.264 488 D HA -0.063 4.591 4.640 0.023 0.000 0.208 488 D C 0.937 177.228 176.300 -0.014 0.000 0.966 488 D CA 0.714 54.697 54.000 -0.029 0.000 0.864 488 D CB -0.179 40.715 40.800 0.156 0.000 0.933 488 D HN 0.182 nan 8.370 nan 0.000 0.499 489 S N -0.469 115.081 115.700 -0.250 0.000 2.641 489 S HA 0.516 5.000 4.470 0.023 0.000 0.261 489 S C 0.913 175.478 174.600 -0.059 0.000 1.257 489 S CA -0.472 57.632 58.200 -0.159 0.000 0.983 489 S CB 1.332 64.174 63.200 -0.598 0.000 0.990 489 S HN 0.128 nan 8.310 nan 0.000 0.572 490 G N -0.800 108.002 108.800 0.003 0.000 2.531 490 G HA2 0.435 4.408 3.960 0.023 0.000 0.253 490 G HA3 0.435 4.408 3.960 0.023 0.000 0.253 490 G C 0.484 175.371 174.900 -0.022 0.000 1.439 490 G CA -0.901 44.202 45.100 0.005 0.000 1.056 490 G HN 0.673 nan 8.290 nan 0.000 0.555 491 L N -0.290 120.931 121.223 -0.003 0.000 2.552 491 L HA 0.197 4.550 4.340 0.023 0.000 0.227 491 L C 0.502 177.373 176.870 0.002 0.000 1.146 491 L CA 0.773 55.611 54.840 -0.004 0.000 0.858 491 L CB -0.215 41.850 42.059 0.010 0.000 0.969 491 L HN 0.398 nan 8.230 nan 0.000 0.451 492 E N -0.104 120.101 120.200 0.008 0.000 2.246 492 E HA 0.530 4.893 4.350 0.023 0.000 0.266 492 E C -1.346 175.268 176.600 0.024 0.000 0.880 492 E CA -0.258 56.155 56.400 0.021 0.000 0.762 492 E CB 3.340 33.059 29.700 0.032 0.000 1.180 492 E HN -0.178 nan 8.360 nan 0.000 0.416 493 V N 3.015 122.939 119.914 0.016 0.000 3.048 493 V HA 0.412 4.545 4.120 0.023 0.000 0.303 493 V C -1.759 174.367 176.094 0.053 0.000 1.214 493 V CA -0.703 61.608 62.300 0.019 0.000 0.984 493 V CB 2.347 34.084 31.823 -0.144 0.000 1.054 493 V HN 0.644 nan 8.190 nan 0.000 0.430 494 N N 5.410 124.173 118.700 0.105 0.000 2.399 494 N HA 0.671 5.425 4.740 0.023 0.000 0.295 494 N C -1.168 174.375 175.510 0.055 0.000 1.048 494 N CA -0.229 52.898 53.050 0.128 0.000 0.886 494 N CB 2.273 40.849 38.487 0.150 0.000 1.185 494 N HN 0.632 nan 8.380 nan 0.000 0.487 495 I N 1.442 121.999 120.570 -0.021 0.000 2.499 495 I HA 0.296 4.480 4.170 0.023 0.000 0.288 495 I C -0.602 175.438 176.117 -0.128 0.000 1.048 495 I CA -0.953 60.306 61.300 -0.068 0.000 1.062 495 I CB 2.196 40.140 38.000 -0.093 0.000 1.238 495 I HN -0.023 nan 8.210 nan 0.000 0.426 496 V N 4.362 124.160 119.914 -0.193 0.000 2.435 496 V HA 0.664 4.798 4.120 0.023 0.000 0.290 496 V C -0.021 176.009 176.094 -0.106 0.000 1.030 496 V CA -0.313 61.852 62.300 -0.225 0.000 0.881 496 V CB 1.755 33.294 31.823 -0.474 0.000 0.983 496 V HN 0.827 nan 8.190 nan 0.000 0.445 497 T N 1.548 116.054 114.554 -0.080 0.000 2.932 497 T HA 0.381 4.745 4.350 0.023 0.000 0.318 497 T C -0.480 174.164 174.700 -0.094 0.000 1.265 497 T CA -0.332 61.753 62.100 -0.026 0.000 1.036 497 T CB 1.731 70.629 68.868 0.050 0.000 1.209 497 T HN 0.916 nan 8.240 nan 0.000 0.484 498 D N 1.305 121.651 120.400 -0.090 0.000 2.388 498 D HA 0.245 4.899 4.640 0.023 0.000 0.221 498 D C 0.506 176.930 176.300 0.206 0.000 1.133 498 D CA -0.285 53.611 54.000 -0.174 0.000 0.831 498 D CB 0.355 41.031 40.800 -0.207 0.000 0.962 498 D HN 0.277 nan 8.370 nan 0.000 0.502 499 S N 0.268 116.126 115.700 0.263 0.000 2.510 499 S HA 0.001 4.484 4.470 0.023 0.000 0.279 499 S C 1.252 176.052 174.600 0.334 0.000 1.284 499 S CA -0.465 57.894 58.200 0.264 0.000 1.059 499 S CB 0.783 64.095 63.200 0.185 0.000 0.901 499 S HN 0.120 nan 8.310 nan 0.000 0.491 500 Q N 3.654 123.587 119.800 0.222 0.000 2.172 500 Q HA -0.113 4.240 4.340 0.023 0.000 0.200 500 Q C 1.223 177.195 176.000 -0.046 0.000 0.964 500 Q CA 1.451 57.266 55.803 0.021 0.000 0.855 500 Q CB -0.334 28.419 28.738 0.024 0.000 0.918 500 Q HN 0.982 nan 8.270 nan 0.000 0.444 501 Y N 0.901 121.172 120.300 -0.049 0.000 2.373 501 Y HA -0.077 4.486 4.550 0.022 0.000 0.293 501 Y C 2.148 178.002 175.900 -0.077 0.000 1.129 501 Y CA 1.013 59.070 58.100 -0.071 0.000 1.226 501 Y CB 0.058 38.502 38.460 -0.027 0.000 1.000 501 Y HN 0.109 nan 8.280 nan 0.000 0.549 502 A N -0.526 122.374 122.820 0.133 0.000 1.968 502 A HA -0.129 4.204 4.320 0.023 0.000 0.217 502 A C 2.009 179.565 177.584 -0.046 0.000 1.169 502 A CA 1.282 53.370 52.037 0.085 0.000 0.638 502 A CB -0.892 18.193 19.000 0.141 0.000 0.812 502 A HN 0.470 nan 8.150 nan 0.000 0.446 503 L N 0.185 121.314 121.223 -0.156 0.000 2.046 503 L HA -0.058 4.295 4.340 0.023 0.000 0.208 503 L C 2.437 179.118 176.870 -0.314 0.000 1.077 503 L CA 2.116 56.762 54.840 -0.324 0.000 0.747 503 L CB -1.014 40.638 42.059 -0.679 0.000 0.896 503 L HN 0.329 nan 8.230 nan 0.000 0.432 504 G N -0.654 107.923 108.800 -0.371 0.000 2.422 504 G HA2 -0.239 3.735 3.960 0.023 0.000 0.218 504 G HA3 -0.239 3.735 3.960 0.023 0.000 0.218 504 G C 1.633 176.334 174.900 -0.331 0.000 1.146 504 G CA 1.041 45.870 45.100 -0.451 0.000 0.769 504 G HN 0.468 nan 8.290 nan 0.000 0.547 505 I N 0.583 121.016 120.570 -0.229 0.000 2.394 505 I HA -0.103 4.081 4.170 0.023 0.000 0.251 505 I C 2.503 178.625 176.117 0.008 0.000 1.136 505 I CA 0.662 61.926 61.300 -0.060 0.000 1.425 505 I CB -0.133 37.885 38.000 0.030 0.000 1.079 505 I HN 0.159 nan 8.210 nan 0.000 0.425 506 I N 0.164 120.707 120.570 -0.045 0.000 2.315 506 I HA -0.280 3.903 4.170 0.023 0.000 0.248 506 I C 2.646 178.746 176.117 -0.028 0.000 1.117 506 I CA 1.284 62.569 61.300 -0.024 0.000 1.404 506 I CB -0.367 37.593 38.000 -0.067 0.000 1.071 506 I HN 0.345 nan 8.210 nan 0.000 0.419 507 Q N 1.128 120.869 119.800 -0.098 0.000 2.033 507 Q HA -0.131 4.223 4.340 0.023 0.000 0.196 507 Q C 2.244 178.249 176.000 0.009 0.000 0.970 507 Q CA 1.726 57.463 55.803 -0.111 0.000 0.828 507 Q CB 0.001 28.567 28.738 -0.286 0.000 0.895 507 Q HN 0.497 nan 8.270 nan 0.000 0.440 508 A N -0.246 122.599 122.820 0.042 0.000 2.044 508 A HA 0.028 4.362 4.320 0.023 0.000 0.213 508 A C 0.413 178.202 177.584 0.342 0.000 1.169 508 A CA 0.380 52.590 52.037 0.288 0.000 0.724 508 A CB 0.111 19.270 19.000 0.265 0.000 0.840 508 A HN 0.540 nan 8.150 nan 0.000 0.463 509 Q N -0.402 119.527 119.800 0.215 0.000 2.443 509 Q HA -0.125 4.229 4.340 0.023 0.000 0.337 509 Q C -2.232 173.916 176.000 0.247 0.000 1.401 509 Q CA 0.339 56.283 55.803 0.235 0.000 0.943 509 Q CB -1.604 27.181 28.738 0.079 0.000 1.177 509 Q HN 0.598 nan 8.270 nan 0.000 0.394 510 P HA -0.044 nan 4.420 nan 0.000 0.270 510 P C -0.063 177.430 177.300 0.322 0.000 1.223 510 P CA 0.513 63.791 63.100 0.296 0.000 0.785 510 P CB 0.616 32.482 31.700 0.278 0.000 0.923 511 D N -1.400 119.142 120.400 0.236 0.000 2.540 511 D HA 0.090 4.744 4.640 0.023 0.000 0.229 511 D C 0.114 176.432 176.300 0.029 0.000 1.250 511 D CA -0.133 53.967 54.000 0.168 0.000 0.817 511 D CB 0.126 41.002 40.800 0.126 0.000 1.060 511 D HN 0.529 nan 8.370 nan 0.000 0.508 512 Q N -0.780 119.074 119.800 0.090 0.000 2.503 512 Q HA 0.558 4.911 4.340 0.023 0.000 0.268 512 Q C -1.458 174.609 176.000 0.113 0.000 0.982 512 Q CA -0.897 54.937 55.803 0.050 0.000 0.907 512 Q CB 1.707 30.456 28.738 0.019 0.000 1.467 512 Q HN 0.109 nan 8.270 nan 0.000 0.394 513 S N -0.034 115.719 115.700 0.087 0.000 2.757 513 S HA 0.310 4.794 4.470 0.023 0.000 0.285 513 S C 0.206 174.843 174.600 0.062 0.000 1.196 513 S CA -0.102 58.170 58.200 0.120 0.000 0.856 513 S CB 0.958 64.282 63.200 0.205 0.000 1.212 513 S HN 0.888 nan 8.310 nan 0.000 0.516 514 E N 0.190 120.429 120.200 0.064 0.000 2.318 514 E HA 0.183 4.546 4.350 0.023 0.000 0.193 514 E C 0.675 177.281 176.600 0.009 0.000 0.998 514 E CA 0.437 56.853 56.400 0.027 0.000 0.859 514 E CB 0.012 29.725 29.700 0.023 0.000 0.812 514 E HN 0.398 nan 8.360 nan 0.000 0.492 515 S N 0.568 116.275 115.700 0.012 0.000 2.523 515 S HA 0.050 4.534 4.470 0.023 0.000 0.275 515 S C 0.696 175.266 174.600 -0.050 0.000 1.281 515 S CA -0.465 57.715 58.200 -0.033 0.000 1.050 515 S CB 1.405 64.564 63.200 -0.069 0.000 0.937 515 S HN 0.285 nan 8.310 nan 0.000 0.492 516 E N 4.144 124.304 120.200 -0.068 0.000 2.106 516 E HA -0.078 4.286 4.350 0.023 0.000 0.192 516 E C 1.686 178.205 176.600 -0.134 0.000 0.984 516 E CA 1.284 57.632 56.400 -0.086 0.000 0.806 516 E CB -0.243 29.409 29.700 -0.080 0.000 0.750 516 E HN 0.793 nan 8.360 nan 0.000 0.458 517 L N -0.471 120.664 121.223 -0.148 0.000 1.994 517 L HA -0.186 4.167 4.340 0.023 0.000 0.208 517 L C 2.238 178.990 176.870 -0.197 0.000 1.071 517 L CA 1.323 56.036 54.840 -0.211 0.000 0.745 517 L CB -0.302 41.655 42.059 -0.170 0.000 0.892 517 L HN 0.125 nan 8.230 nan 0.000 0.431 518 V N 0.165 120.010 119.914 -0.114 0.000 2.332 518 V HA -0.353 3.781 4.120 0.023 0.000 0.248 518 V C 2.016 178.083 176.094 -0.045 0.000 1.055 518 V CA 2.404 64.680 62.300 -0.040 0.000 1.038 518 V CB -0.999 30.854 31.823 0.050 0.000 0.651 518 V HN 0.549 nan 8.190 nan 0.000 0.450 519 N N -0.358 118.305 118.700 -0.062 0.000 2.104 519 N HA -0.243 4.510 4.740 0.023 0.000 0.190 519 N C 1.969 177.416 175.510 -0.105 0.000 1.024 519 N CA 1.362 54.371 53.050 -0.068 0.000 0.853 519 N CB -0.166 38.279 38.487 -0.071 0.000 1.008 519 N HN 0.609 nan 8.380 nan 0.000 0.424 520 Q N 0.553 120.238 119.800 -0.192 0.000 2.124 520 Q HA -0.081 4.273 4.340 0.023 0.000 0.202 520 Q C 2.074 177.989 176.000 -0.142 0.000 0.977 520 Q CA 0.913 56.552 55.803 -0.273 0.000 0.850 520 Q CB -0.014 28.307 28.738 -0.694 0.000 0.901 520 Q HN 0.478 nan 8.270 nan 0.000 0.429 521 I N 0.467 120.956 120.570 -0.134 0.000 2.252 521 I HA -0.277 3.907 4.170 0.023 0.000 0.245 521 I C 2.135 178.236 176.117 -0.027 0.000 1.102 521 I CA 1.042 62.358 61.300 0.026 0.000 1.385 521 I CB -0.158 37.848 38.000 0.010 0.000 1.064 521 I HN 0.202 nan 8.210 nan 0.000 0.414 522 I N 0.323 120.862 120.570 -0.051 0.000 2.179 522 I HA -0.249 3.935 4.170 0.023 0.000 0.242 522 I C 2.507 178.578 176.117 -0.077 0.000 1.088 522 I CA 1.113 62.364 61.300 -0.082 0.000 1.357 522 I CB -0.449 37.551 38.000 0.000 0.000 1.051 522 I HN 0.202 nan 8.210 nan 0.000 0.409 523 E N 0.661 120.836 120.200 -0.042 0.000 2.085 523 E HA -0.240 4.123 4.350 0.023 0.000 0.194 523 E C 2.172 178.774 176.600 0.002 0.000 0.994 523 E CA 1.166 57.555 56.400 -0.018 0.000 0.801 523 E CB -0.353 29.344 29.700 -0.005 0.000 0.743 523 E HN 0.508 nan 8.360 nan 0.000 0.453 524 Q N 0.200 120.012 119.800 0.019 0.000 2.046 524 Q HA -0.026 4.328 4.340 0.023 0.000 0.200 524 Q C 2.616 178.571 176.000 -0.074 0.000 0.975 524 Q CA 0.669 56.473 55.803 0.002 0.000 0.836 524 Q CB -0.387 28.383 28.738 0.054 0.000 0.896 524 Q HN 0.338 nan 8.270 nan 0.000 0.428 525 L N 0.245 121.370 121.223 -0.164 0.000 2.012 525 L HA -0.212 4.142 4.340 0.023 0.000 0.210 525 L C 2.458 179.211 176.870 -0.195 0.000 1.073 525 L CA 1.028 55.678 54.840 -0.317 0.000 0.748 525 L CB -0.548 41.053 42.059 -0.763 0.000 0.891 525 L HN 0.191 nan 8.230 nan 0.000 0.431 526 I N -0.104 120.413 120.570 -0.089 0.000 2.163 526 I HA -0.337 3.846 4.170 0.023 0.000 0.243 526 I C 2.448 178.632 176.117 0.111 0.000 1.085 526 I CA 1.571 62.950 61.300 0.132 0.000 1.347 526 I CB -0.333 37.788 38.000 0.203 0.000 1.044 526 I HN 0.253 nan 8.210 nan 0.000 0.408 527 K N 0.491 120.924 120.400 0.054 0.000 2.283 527 K HA -0.064 4.270 4.320 0.023 0.000 0.202 527 K C 0.571 177.188 176.600 0.029 0.000 1.048 527 K CA 0.605 56.919 56.287 0.045 0.000 0.948 527 K CB -0.003 32.512 32.500 0.024 0.000 0.742 527 K HN 0.157 nan 8.250 nan 0.000 0.458 528 K N 1.259 121.665 120.400 0.010 0.000 2.258 528 K HA 0.023 4.357 4.320 0.023 0.000 0.264 528 K C 0.721 177.344 176.600 0.038 0.000 1.007 528 K CA 0.370 56.660 56.287 0.005 0.000 0.941 528 K CB 0.858 33.344 32.500 -0.023 0.000 0.966 528 K HN 0.113 nan 8.250 nan 0.000 0.480 529 E N 1.126 121.347 120.200 0.034 0.000 2.250 529 E HA -0.022 4.341 4.350 0.023 0.000 0.192 529 E C -0.322 176.312 176.600 0.056 0.000 0.986 529 E CA 0.922 57.349 56.400 0.046 0.000 0.849 529 E CB 0.395 30.116 29.700 0.035 0.000 0.797 529 E HN 0.297 nan 8.360 nan 0.000 0.482 530 K N 0.415 120.844 120.400 0.050 0.000 2.550 530 K HA 0.408 4.742 4.320 0.023 0.000 0.252 530 K C -1.668 174.968 176.600 0.061 0.000 0.943 530 K CA -0.400 55.925 56.287 0.064 0.000 0.806 530 K CB 3.027 35.559 32.500 0.055 0.000 1.289 530 K HN -0.212 nan 8.250 nan 0.000 0.435 531 V N 2.848 122.817 119.914 0.090 0.000 2.733 531 V HA 0.340 4.474 4.120 0.023 0.000 0.306 531 V C -1.655 174.534 176.094 0.159 0.000 1.084 531 V CA -0.936 61.412 62.300 0.079 0.000 0.905 531 V CB 1.733 33.566 31.823 0.016 0.000 1.010 531 V HN 0.726 nan 8.190 nan 0.000 0.424 532 Y N 5.100 125.406 120.300 0.009 0.000 2.331 532 Y HA 0.707 5.270 4.550 0.022 0.000 0.334 532 Y C -0.971 174.934 175.900 0.008 0.000 0.960 532 Y CA -0.949 57.162 58.100 0.018 0.000 1.130 532 Y CB 1.594 40.061 38.460 0.012 0.000 1.164 532 Y HN 0.593 nan 8.280 nan 0.000 0.458 533 L N 6.114 127.015 121.223 -0.538 0.000 2.287 533 L HA 0.795 5.149 4.340 0.023 0.000 0.287 533 L C -0.630 175.865 176.870 -0.625 0.000 1.022 533 L CA -0.784 53.807 54.840 -0.415 0.000 0.814 533 L CB 1.105 43.053 42.059 -0.185 0.000 1.217 533 L HN 0.851 nan 8.230 nan 0.000 0.420 534 A N 4.254 126.833 122.820 -0.402 0.000 2.330 534 A HA 0.442 4.776 4.320 0.023 0.000 0.313 534 A C -1.627 175.932 177.584 -0.042 0.000 1.124 534 A CA -0.427 51.464 52.037 -0.243 0.000 0.774 534 A CB 0.833 19.752 19.000 -0.135 0.000 1.198 534 A HN 0.762 nan 8.150 nan 0.000 0.465 535 W N 3.655 124.879 121.300 -0.127 0.000 2.496 535 W HA 0.593 5.267 4.660 0.022 0.000 0.327 535 W C -0.781 175.712 176.519 -0.044 0.000 1.086 535 W CA -0.361 56.937 57.345 -0.078 0.000 1.222 535 W CB 1.658 31.072 29.460 -0.076 0.000 1.304 535 W HN 0.852 nan 8.180 nan 0.000 0.547 536 V N 4.123 123.318 119.914 -1.198 0.000 2.888 536 V HA 0.656 4.790 4.120 0.023 0.000 0.309 536 V C -2.494 172.688 176.094 -1.519 0.000 1.114 536 V CA -2.814 58.813 62.300 -1.121 0.000 0.940 536 V CB 1.597 33.138 31.823 -0.470 0.000 1.021 536 V HN 0.568 nan 8.190 nan 0.000 0.426 537 P HA 0.245 nan 4.420 nan 0.000 0.268 537 P C -0.051 177.047 177.300 -0.336 0.000 1.205 537 P CA 0.423 63.155 63.100 -0.612 0.000 0.771 537 P CB 1.013 32.571 31.700 -0.237 0.000 0.858 538 A N 4.226 126.921 122.820 -0.207 0.000 2.450 538 A HA 0.362 4.696 4.320 0.023 0.000 0.255 538 A C 0.231 177.684 177.584 -0.218 0.000 1.096 538 A CA 0.408 52.274 52.037 -0.286 0.000 0.778 538 A CB -0.686 18.120 19.000 -0.323 0.000 1.031 538 A HN 0.782 nan 8.150 nan 0.000 0.494 539 H N 0.000 119.049 119.070 -0.035 0.000 2.539 539 H HA 0.000 4.570 4.556 0.023 0.000 0.296 539 H CA 0.000 56.035 56.048 -0.023 0.000 1.023 539 H CB 0.000 29.757 29.762 -0.008 0.000 1.292 539 H HN 0.000 nan 8.280 nan 0.000 0.496