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 3kle_1_M DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE LEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKNSTR WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLYTPDQK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDICKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIRKVL 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 0.000 177.373 177.300 0.121 0.000 1.155 1 P CA 0.000 63.160 63.100 0.100 0.000 0.800 1 P CB 0.000 31.784 31.700 0.140 0.000 0.726 2 I N -0.087 120.562 120.570 0.133 0.000 4.061 2 I HA 0.432 4.602 4.170 -0.000 0.000 0.254 2 I C 0.396 176.618 176.117 0.174 0.000 1.038 2 I CA -0.176 61.221 61.300 0.161 0.000 1.945 2 I CB 0.387 38.478 38.000 0.151 0.000 1.592 2 I HN 0.543 nan 8.210 nan 0.000 0.449 3 S N -0.155 115.637 115.700 0.154 0.000 2.686 3 S HA 0.345 4.814 4.470 -0.000 0.000 0.273 3 S C -2.629 172.062 174.600 0.151 0.000 1.060 3 S CA -0.528 57.775 58.200 0.172 0.000 0.845 3 S CB 1.584 64.905 63.200 0.203 0.000 1.086 3 S HN 0.144 nan 8.310 nan 0.000 0.461 4 P HA 0.372 nan 4.420 nan 0.000 0.302 4 P C -0.306 177.146 177.300 0.252 0.000 1.455 4 P CA -0.045 63.136 63.100 0.135 0.000 1.200 4 P CB -0.064 31.626 31.700 -0.017 0.000 1.586 5 I N 0.538 121.300 120.570 0.320 0.000 2.474 5 I HA 0.160 4.330 4.170 -0.000 0.000 0.287 5 I C 0.392 176.606 176.117 0.162 0.000 1.048 5 I CA -0.709 60.765 61.300 0.290 0.000 1.383 5 I CB 0.580 38.678 38.000 0.164 0.000 1.412 5 I HN -0.159 nan 8.210 nan 0.000 0.531 6 E N 4.740 125.021 120.200 0.135 0.000 2.502 6 E HA 0.028 4.378 4.350 -0.000 0.000 0.261 6 E C -0.082 176.563 176.600 0.075 0.000 0.974 6 E CA 0.330 56.786 56.400 0.093 0.000 0.936 6 E CB 0.145 29.890 29.700 0.075 0.000 0.926 6 E HN 0.722 nan 8.360 nan 0.000 0.459 7 T N -0.925 113.676 114.554 0.078 0.000 2.918 7 T HA 0.208 4.558 4.350 -0.000 0.000 0.302 7 T C 0.210 174.952 174.700 0.070 0.000 1.045 7 T CA -1.001 61.146 62.100 0.079 0.000 1.114 7 T CB 0.841 69.762 68.868 0.088 0.000 0.965 7 T HN 0.107 nan 8.240 nan 0.000 0.540 8 V N 5.545 125.506 119.914 0.078 0.000 2.461 8 V HA 0.323 4.443 4.120 -0.000 0.000 0.275 8 V C -1.637 174.510 176.094 0.089 0.000 1.047 8 V CA -1.787 60.560 62.300 0.078 0.000 0.955 8 V CB 0.647 32.526 31.823 0.093 0.000 0.988 8 V HN 0.876 nan 8.190 nan 0.000 0.471 9 P HA 0.181 nan 4.420 nan 0.000 0.266 9 P C -0.771 176.533 177.300 0.005 0.000 1.215 9 P CA 0.241 63.361 63.100 0.034 0.000 0.763 9 P CB 1.109 32.818 31.700 0.016 0.000 0.806 10 V N 4.991 124.884 119.914 -0.034 0.000 2.769 10 V HA 0.489 4.609 4.120 -0.000 0.000 0.312 10 V C 0.304 176.240 176.094 -0.264 0.000 1.061 10 V CA -0.553 61.654 62.300 -0.156 0.000 0.931 10 V CB 2.447 34.167 31.823 -0.172 0.000 1.010 10 V HN 0.509 nan 8.190 nan 0.000 0.433 11 K N 2.678 122.922 120.400 -0.259 0.000 2.509 11 K HA 0.689 5.009 4.320 -0.000 0.000 0.266 11 K C -1.522 175.030 176.600 -0.080 0.000 0.987 11 K CA -0.877 55.339 56.287 -0.118 0.000 0.868 11 K CB 2.618 35.084 32.500 -0.057 0.000 1.421 11 K HN 0.397 nan 8.250 nan 0.000 0.444 12 L N 1.586 122.827 121.223 0.030 0.000 2.399 12 L HA 0.376 4.716 4.340 -0.000 0.000 0.265 12 L C 0.177 177.037 176.870 -0.017 0.000 1.089 12 L CA -0.721 54.132 54.840 0.021 0.000 0.802 12 L CB 0.670 42.691 42.059 -0.063 0.000 1.180 12 L HN 0.364 nan 8.230 nan 0.000 0.454 13 K N 1.634 122.025 120.400 -0.015 0.000 2.382 13 K HA 0.178 4.498 4.320 -0.000 0.000 0.275 13 K C -2.270 174.321 176.600 -0.015 0.000 1.009 13 K CA -1.506 54.769 56.287 -0.020 0.000 0.970 13 K CB 0.055 32.549 32.500 -0.010 0.000 0.934 13 K HN 0.252 nan 8.250 nan 0.000 0.479 14 P HA -0.128 nan 4.420 nan 0.000 0.263 14 P C 0.628 177.929 177.300 0.002 0.000 1.175 14 P CA 1.058 64.156 63.100 -0.004 0.000 0.761 14 P CB 0.422 32.119 31.700 -0.005 0.000 0.794 15 G N 1.770 110.575 108.800 0.008 0.000 2.234 15 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 15 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 15 G C 0.120 175.028 174.900 0.014 0.000 0.987 15 G CA 0.018 45.126 45.100 0.014 0.000 0.625 15 G HN 0.477 nan 8.290 nan 0.000 0.532 16 M N 0.483 120.084 119.600 0.002 0.000 2.423 16 M HA 0.593 5.073 4.480 -0.000 0.000 0.335 16 M C -0.081 176.198 176.300 -0.034 0.000 1.177 16 M CA -0.677 54.619 55.300 -0.007 0.000 1.038 16 M CB 1.627 34.218 32.600 -0.014 0.000 1.641 16 M HN 0.194 nan 8.290 nan 0.000 0.455 17 D N 0.694 121.080 120.400 -0.022 0.000 2.592 17 D HA 0.602 5.242 4.640 -0.000 0.000 0.259 17 D C 0.096 176.296 176.300 -0.167 0.000 1.144 17 D CA -0.170 53.810 54.000 -0.034 0.000 1.080 17 D CB 1.278 42.154 40.800 0.126 0.000 1.225 17 D HN 0.640 nan 8.370 nan 0.000 0.619 18 G N -0.440 108.187 108.800 -0.288 0.000 2.712 18 G HA2 0.333 4.293 3.960 -0.000 0.000 0.258 18 G HA3 0.333 4.293 3.960 -0.000 0.000 0.258 18 G C -2.199 172.701 174.900 0.001 0.000 1.241 18 G CA -0.721 44.051 45.100 -0.547 0.000 0.923 18 G HN 0.488 nan 8.290 nan 0.000 0.548 19 P HA 0.351 nan 4.420 nan 0.000 0.290 19 P C -1.104 176.381 177.300 0.308 0.000 1.276 19 P CA -0.450 62.762 63.100 0.186 0.000 0.808 19 P CB 1.589 33.392 31.700 0.172 0.000 0.966 20 K N 1.729 122.264 120.400 0.224 0.000 3.206 20 K HA 0.304 4.624 4.320 -0.000 0.000 0.180 20 K C -0.482 176.192 176.600 0.124 0.000 1.088 20 K CA -0.525 55.870 56.287 0.180 0.000 0.872 20 K CB 1.365 33.950 32.500 0.142 0.000 0.976 20 K HN 0.198 nan 8.250 nan 0.000 0.564 21 V N 1.009 120.997 119.914 0.124 0.000 2.394 21 V HA 0.273 4.393 4.120 -0.000 0.000 0.282 21 V C -0.117 176.017 176.094 0.067 0.000 1.031 21 V CA -0.598 61.762 62.300 0.100 0.000 0.881 21 V CB 1.244 33.137 31.823 0.116 0.000 0.982 21 V HN 0.386 nan 8.190 nan 0.000 0.451 22 K N 4.337 124.773 120.400 0.060 0.000 2.230 22 K HA 0.177 4.497 4.320 -0.000 0.000 0.253 22 K C 0.018 176.610 176.600 -0.013 0.000 1.008 22 K CA -0.399 55.908 56.287 0.033 0.000 0.910 22 K CB 0.504 33.032 32.500 0.047 0.000 0.994 22 K HN 0.745 nan 8.250 nan 0.000 0.495 23 Q N 2.730 122.497 119.800 -0.054 0.000 2.304 23 Q HA 0.072 4.412 4.340 -0.000 0.000 0.260 23 Q C -1.076 174.891 176.000 -0.055 0.000 0.965 23 Q CA -0.066 55.635 55.803 -0.171 0.000 0.898 23 Q CB 0.462 29.128 28.738 -0.120 0.000 1.196 23 Q HN 0.463 nan 8.270 nan 0.000 0.402 24 W N 4.442 125.763 121.300 0.036 0.000 2.332 24 W HA 0.599 5.259 4.660 -0.000 0.000 0.351 24 W C -2.272 174.255 176.519 0.015 0.000 1.195 24 W CA -2.823 54.531 57.345 0.015 0.000 1.334 24 W CB -1.097 28.359 29.460 -0.007 0.000 1.206 24 W HN 0.439 nan 8.180 nan 0.000 0.637 25 P HA 0.019 nan 4.420 nan 0.000 0.260 25 P C -0.710 176.765 177.300 0.292 0.000 1.185 25 P CA 0.680 63.924 63.100 0.239 0.000 0.763 25 P CB 0.438 32.216 31.700 0.130 0.000 0.776 26 L N 2.668 124.012 121.223 0.201 0.000 2.342 26 L HA 0.364 4.704 4.340 -0.000 0.000 0.271 26 L C 0.821 177.744 176.870 0.088 0.000 1.008 26 L CA -0.926 54.019 54.840 0.176 0.000 0.818 26 L CB 1.514 43.664 42.059 0.151 0.000 1.296 26 L HN 0.178 nan 8.230 nan 0.000 0.427 27 T N 0.721 115.316 114.554 0.069 0.000 2.871 27 T HA -0.074 4.276 4.350 -0.000 0.000 0.296 27 T C 1.186 175.887 174.700 0.002 0.000 0.998 27 T CA 0.278 62.396 62.100 0.030 0.000 1.162 27 T CB 0.650 69.530 68.868 0.021 0.000 0.947 27 T HN 0.741 nan 8.240 nan 0.000 0.536 28 E N 2.509 122.711 120.200 0.002 0.000 2.097 28 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 28 E C 2.000 178.578 176.600 -0.036 0.000 1.000 28 E CA 1.206 57.599 56.400 -0.011 0.000 0.804 28 E CB 0.064 29.762 29.700 -0.003 0.000 0.740 28 E HN 0.734 nan 8.360 nan 0.000 0.454 29 E N 1.373 121.552 120.200 -0.036 0.000 2.031 29 E HA -0.254 4.095 4.350 -0.000 0.000 0.193 29 E C 2.039 178.549 176.600 -0.150 0.000 0.994 29 E CA 1.445 57.810 56.400 -0.058 0.000 0.800 29 E CB -0.195 29.495 29.700 -0.016 0.000 0.752 29 E HN 0.196 nan 8.360 nan 0.000 0.447 30 K N 0.357 120.653 120.400 -0.175 0.000 2.009 30 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 30 K C 2.500 178.917 176.600 -0.304 0.000 1.049 30 K CA 1.722 57.802 56.287 -0.346 0.000 0.929 30 K CB -0.315 32.071 32.500 -0.190 0.000 0.714 30 K HN 0.157 nan 8.250 nan 0.000 0.440 31 I N 1.115 121.597 120.570 -0.146 0.000 2.147 31 I HA -0.405 3.765 4.170 -0.000 0.000 0.245 31 I C 2.368 178.404 176.117 -0.134 0.000 1.059 31 I CA 1.439 62.681 61.300 -0.098 0.000 1.320 31 I CB -0.421 37.554 38.000 -0.042 0.000 1.021 31 I HN 0.207 nan 8.210 nan 0.000 0.415 32 K N 1.117 121.428 120.400 -0.149 0.000 2.032 32 K HA -0.267 4.053 4.320 -0.000 0.000 0.218 32 K C 2.105 178.590 176.600 -0.191 0.000 1.054 32 K CA 2.147 58.350 56.287 -0.140 0.000 0.941 32 K CB -0.726 31.696 32.500 -0.130 0.000 0.720 32 K HN 0.388 nan 8.250 nan 0.000 0.449 33 A N 0.130 122.739 122.820 -0.352 0.000 1.884 33 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 33 A C 2.165 179.603 177.584 -0.243 0.000 1.197 33 A CA 2.215 53.989 52.037 -0.437 0.000 0.637 33 A CB -0.916 17.461 19.000 -1.039 0.000 0.827 33 A HN 0.268 nan 8.150 nan 0.000 0.450 34 L N -0.456 120.642 121.223 -0.209 0.000 2.017 34 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 34 L C 2.563 179.378 176.870 -0.090 0.000 1.073 34 L CA 1.671 56.438 54.840 -0.122 0.000 0.745 34 L CB -0.812 41.207 42.059 -0.067 0.000 0.894 34 L HN 0.240 nan 8.230 nan 0.000 0.432 35 V N -0.320 119.557 119.914 -0.063 0.000 2.392 35 V HA -0.311 3.809 4.120 -0.000 0.000 0.249 35 V C 2.485 178.546 176.094 -0.054 0.000 1.059 35 V CA 1.975 64.261 62.300 -0.023 0.000 1.051 35 V CB -0.790 31.026 31.823 -0.010 0.000 0.658 35 V HN 0.613 nan 8.190 nan 0.000 0.455 36 E N 0.522 120.675 120.200 -0.078 0.000 2.017 36 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 36 E C 2.314 178.855 176.600 -0.100 0.000 0.997 36 E CA 1.845 58.201 56.400 -0.074 0.000 0.804 36 E CB -0.132 29.527 29.700 -0.070 0.000 0.757 36 E HN 0.411 nan 8.360 nan 0.000 0.448 37 I N 1.584 122.079 120.570 -0.124 0.000 2.151 37 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 37 I C 2.724 178.692 176.117 -0.248 0.000 1.080 37 I CA 1.026 62.221 61.300 -0.175 0.000 1.339 37 I CB -1.499 36.396 38.000 -0.175 0.000 1.039 37 I HN 0.420 nan 8.210 nan 0.000 0.409 38 C N 0.388 119.527 119.300 -0.269 0.000 2.419 38 C HA -0.121 4.339 4.460 -0.000 0.000 0.281 38 C C 2.872 177.648 174.990 -0.357 0.000 1.336 38 C CA 1.176 59.918 59.018 -0.459 0.000 1.770 38 C CB -1.368 25.999 27.740 -0.621 0.000 1.929 38 C HN 0.537 nan 8.230 nan 0.000 0.509 39 T N 0.123 114.576 114.554 -0.168 0.000 2.904 39 T HA -0.145 4.204 4.350 -0.000 0.000 0.267 39 T C 1.774 176.417 174.700 -0.095 0.000 1.059 39 T CA 1.277 63.333 62.100 -0.074 0.000 1.137 39 T CB -0.161 68.686 68.868 -0.036 0.000 0.879 39 T HN 0.702 nan 8.240 nan 0.000 0.467 40 E N 1.187 121.306 120.200 -0.136 0.000 2.016 40 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 40 E C 2.070 178.571 176.600 -0.165 0.000 0.985 40 E CA 0.674 56.991 56.400 -0.137 0.000 0.802 40 E CB -0.171 29.436 29.700 -0.155 0.000 0.762 40 E HN 0.399 nan 8.360 nan 0.000 0.448 41 L N 1.043 122.118 121.223 -0.247 0.000 2.349 41 L HA -0.173 4.167 4.340 -0.000 0.000 0.220 41 L C 2.536 179.304 176.870 -0.171 0.000 1.130 41 L CA 1.034 55.713 54.840 -0.269 0.000 0.791 41 L CB -0.495 41.306 42.059 -0.430 0.000 0.918 41 L HN 0.232 nan 8.230 nan 0.000 0.444 42 E N 1.829 121.942 120.200 -0.145 0.000 2.008 42 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 42 E C 2.111 178.697 176.600 -0.022 0.000 0.986 42 E CA 1.700 58.070 56.400 -0.049 0.000 0.807 42 E CB -0.118 29.591 29.700 0.015 0.000 0.766 42 E HN 0.465 nan 8.360 nan 0.000 0.450 43 K N 0.338 120.720 120.400 -0.030 0.000 2.209 43 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 43 K C 1.753 178.343 176.600 -0.017 0.000 1.048 43 K CA 1.736 58.013 56.287 -0.017 0.000 0.940 43 K CB -0.235 32.252 32.500 -0.021 0.000 0.729 43 K HN 0.180 nan 8.250 nan 0.000 0.451 44 E N 0.239 120.418 120.200 -0.036 0.000 2.427 44 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 44 E C 0.816 177.420 176.600 0.006 0.000 1.028 44 E CA 0.391 56.777 56.400 -0.023 0.000 0.864 44 E CB 0.006 29.672 29.700 -0.057 0.000 0.813 44 E HN 0.666 nan 8.360 nan 0.000 0.514 45 G N 1.790 110.593 108.800 0.004 0.000 2.143 45 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.248 45 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.248 45 G C 0.787 175.716 174.900 0.048 0.000 0.991 45 G CA 0.761 45.878 45.100 0.029 0.000 0.689 45 G HN 0.256 nan 8.290 nan 0.000 0.522 46 K N -0.494 119.923 120.400 0.030 0.000 2.167 46 K HA 0.296 4.616 4.320 -0.000 0.000 0.203 46 K C 1.614 178.256 176.600 0.069 0.000 1.052 46 K CA 1.365 57.701 56.287 0.081 0.000 0.956 46 K CB 0.129 32.668 32.500 0.066 0.000 0.735 46 K HN 0.818 nan 8.250 nan 0.000 0.451 47 I N -3.860 116.705 120.570 -0.007 0.000 3.322 47 I HA 0.457 4.627 4.170 -0.000 0.000 0.313 47 I C -1.034 175.122 176.117 0.065 0.000 1.129 47 I CA -1.062 60.241 61.300 0.005 0.000 0.963 47 I CB 2.471 40.398 38.000 -0.122 0.000 1.273 47 I HN -0.335 nan 8.210 nan 0.000 0.473 48 S N 0.578 116.351 115.700 0.122 0.000 2.536 48 S HA 0.379 4.849 4.470 -0.000 0.000 0.271 48 S C -0.978 173.688 174.600 0.110 0.000 1.134 48 S CA -0.822 57.444 58.200 0.110 0.000 0.897 48 S CB 1.946 65.182 63.200 0.061 0.000 1.094 48 S HN 0.655 nan 8.310 nan 0.000 0.473 49 K N 2.253 122.672 120.400 0.031 0.000 2.295 49 K HA 0.494 4.814 4.320 -0.000 0.000 0.270 49 K C -0.456 176.065 176.600 -0.133 0.000 1.011 49 K CA -0.293 55.891 56.287 -0.172 0.000 0.953 49 K CB 0.258 32.627 32.500 -0.218 0.000 0.956 49 K HN 0.680 nan 8.250 nan 0.000 0.477 50 I N -0.612 119.847 120.570 -0.186 0.000 2.892 50 I HA 0.554 4.724 4.170 -0.000 0.000 0.306 50 I C 0.315 176.353 176.117 -0.132 0.000 1.078 50 I CA -1.262 59.963 61.300 -0.126 0.000 1.032 50 I CB 1.875 39.815 38.000 -0.100 0.000 1.229 50 I HN 0.636 nan 8.210 nan 0.000 0.435 51 G N 2.327 111.068 108.800 -0.098 0.000 2.611 51 G HA2 0.410 4.370 3.960 -0.000 0.000 0.273 51 G HA3 0.410 4.370 3.960 -0.000 0.000 0.273 51 G C -2.007 172.836 174.900 -0.095 0.000 1.305 51 G CA -1.006 44.039 45.100 -0.091 0.000 1.010 51 G HN 0.572 nan 8.290 nan 0.000 0.509 52 P HA -0.049 nan 4.420 nan 0.000 0.217 52 P C 1.842 179.089 177.300 -0.088 0.000 1.151 52 P CA 1.292 64.343 63.100 -0.083 0.000 0.828 52 P CB 0.125 31.784 31.700 -0.070 0.000 0.788 53 E N -0.003 120.147 120.200 -0.082 0.000 2.130 53 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 53 E C 0.734 177.257 176.600 -0.128 0.000 0.998 53 E CA 1.070 57.416 56.400 -0.090 0.000 0.806 53 E CB -1.773 27.885 29.700 -0.071 0.000 0.738 53 E HN 0.212 nan 8.360 nan 0.000 0.459 54 N N 3.086 121.710 118.700 -0.128 0.000 2.416 54 N HA -0.005 4.735 4.740 -0.000 0.000 0.271 54 N C -1.533 173.837 175.510 -0.233 0.000 1.245 54 N CA -0.819 52.130 53.050 -0.168 0.000 0.940 54 N CB 0.952 39.386 38.487 -0.089 0.000 1.175 54 N HN 0.068 nan 8.380 nan 0.000 0.483 55 P HA 0.006 nan 4.420 nan 0.000 0.249 55 P C -0.566 176.518 177.300 -0.360 0.000 1.229 55 P CA 0.395 63.253 63.100 -0.404 0.000 0.788 55 P CB 0.099 31.532 31.700 -0.445 0.000 1.072 56 Y N 0.880 121.200 120.300 0.033 0.000 2.335 56 Y HA 0.555 5.105 4.550 -0.000 0.000 0.323 56 Y C 0.988 176.929 175.900 0.067 0.000 1.224 56 Y CA -0.731 57.413 58.100 0.073 0.000 1.241 56 Y CB 0.447 38.975 38.460 0.113 0.000 1.235 56 Y HN -0.094 nan 8.280 nan 0.000 0.492 57 N N -1.144 117.717 118.700 0.270 0.000 3.127 57 N HA 0.597 5.337 4.740 -0.000 0.000 0.239 57 N C -2.074 173.542 175.510 0.177 0.000 1.407 57 N CA -0.553 52.610 53.050 0.187 0.000 0.891 57 N CB 1.821 40.365 38.487 0.095 0.000 1.447 57 N HN 0.570 nan 8.380 nan 0.000 0.507 58 T N 1.867 116.493 114.554 0.120 0.000 3.172 58 T HA 0.436 4.786 4.350 -0.000 0.000 0.320 58 T C -3.010 171.597 174.700 -0.154 0.000 1.085 58 T CA -0.677 61.426 62.100 0.005 0.000 1.052 58 T CB 2.129 70.972 68.868 -0.042 0.000 1.107 58 T HN 0.390 nan 8.240 nan 0.000 0.458 59 P HA 0.228 nan 4.420 nan 0.000 0.265 59 P C -0.214 176.728 177.300 -0.596 0.000 1.193 59 P CA -0.189 62.474 63.100 -0.728 0.000 0.765 59 P CB 0.693 31.521 31.700 -1.454 0.000 0.823 60 V N 1.268 120.922 119.914 -0.433 0.000 3.158 60 V HA 0.928 5.048 4.120 -0.000 0.000 0.315 60 V C -0.607 175.611 176.094 0.206 0.000 1.148 60 V CA -0.857 61.367 62.300 -0.126 0.000 1.042 60 V CB 1.666 33.368 31.823 -0.201 0.000 1.101 60 V HN 0.620 nan 8.190 nan 0.000 0.448 61 F N -1.511 118.420 119.950 -0.032 0.000 2.842 61 F HA 0.955 5.482 4.527 -0.000 0.000 0.319 61 F C -0.643 175.206 175.800 0.082 0.000 1.159 61 F CA -0.901 57.157 58.000 0.097 0.000 0.902 61 F CB 0.527 39.706 39.000 0.300 0.000 1.311 61 F HN 0.995 nan 8.300 nan 0.000 0.453 62 A N 1.443 124.372 122.820 0.181 0.000 2.337 62 A HA 0.917 5.237 4.320 -0.000 0.000 0.331 62 A C -1.442 176.353 177.584 0.353 0.000 1.137 62 A CA -0.941 51.181 52.037 0.142 0.000 0.807 62 A CB 1.497 20.527 19.000 0.049 0.000 1.250 62 A HN 1.154 nan 8.150 nan 0.000 0.468 63 I N 0.333 121.120 120.570 0.363 0.000 2.827 63 I HA 0.333 4.503 4.170 -0.000 0.000 0.298 63 I C -0.632 175.572 176.117 0.146 0.000 1.235 63 I CA -0.866 60.619 61.300 0.308 0.000 1.021 63 I CB 2.003 40.109 38.000 0.176 0.000 1.259 63 I HN 0.658 nan 8.210 nan 0.000 0.427 64 K N 5.394 125.740 120.400 -0.090 0.000 2.380 64 K HA 0.199 4.519 4.320 -0.000 0.000 0.267 64 K C -0.432 176.049 176.600 -0.199 0.000 0.990 64 K CA -0.212 55.856 56.287 -0.365 0.000 0.946 64 K CB 0.638 32.916 32.500 -0.369 0.000 0.937 64 K HN 0.510 nan 8.250 nan 0.000 0.491 65 K N 1.340 121.602 120.400 -0.229 0.000 2.632 65 K HA 0.175 4.495 4.320 -0.000 0.000 0.267 65 K C 1.201 177.725 176.600 -0.127 0.000 1.028 65 K CA -0.848 55.357 56.287 -0.137 0.000 1.045 65 K CB 0.342 32.770 32.500 -0.119 0.000 1.400 65 K HN 0.230 nan 8.250 nan 0.000 0.522 66 K N 1.057 121.403 120.400 -0.091 0.000 2.360 66 K HA -0.141 4.179 4.320 -0.000 0.000 0.201 66 K C 0.912 177.467 176.600 -0.075 0.000 1.046 66 K CA 1.630 57.873 56.287 -0.074 0.000 0.940 66 K CB -0.149 32.324 32.500 -0.045 0.000 0.748 66 K HN 0.380 nan 8.250 nan 0.000 0.465 67 N N -1.601 117.042 118.700 -0.095 0.000 2.445 67 N HA 0.022 4.762 4.740 -0.000 0.000 0.204 67 N C -0.061 175.367 175.510 -0.137 0.000 1.098 67 N CA 0.294 53.289 53.050 -0.092 0.000 0.859 67 N CB 0.898 39.344 38.487 -0.068 0.000 1.249 67 N HN -0.156 nan 8.380 nan 0.000 0.462 68 S N -1.826 113.748 115.700 -0.210 0.000 2.827 68 S HA -0.147 4.323 4.470 -0.000 0.000 0.269 68 S C 1.003 175.404 174.600 -0.331 0.000 1.323 68 S CA 1.150 59.156 58.200 -0.324 0.000 1.176 68 S CB -1.865 61.194 63.200 -0.234 0.000 1.436 68 S HN 0.427 nan 8.310 nan 0.000 0.673 69 T N 0.302 114.724 114.554 -0.220 0.000 3.043 69 T HA 0.145 4.495 4.350 -0.000 0.000 0.263 69 T C 0.938 175.541 174.700 -0.162 0.000 1.094 69 T CA 1.165 63.181 62.100 -0.140 0.000 1.127 69 T CB 0.154 68.980 68.868 -0.070 0.000 0.905 69 T HN 0.554 nan 8.240 nan 0.000 0.490 70 R N -1.547 118.797 120.500 -0.260 0.000 3.176 70 R HA 0.566 4.906 4.340 -0.000 0.000 0.247 70 R C -1.967 174.067 176.300 -0.443 0.000 1.382 70 R CA -0.858 55.126 56.100 -0.193 0.000 1.040 70 R CB 1.257 31.545 30.300 -0.021 0.000 1.426 70 R HN 0.171 nan 8.270 nan 0.000 0.485 71 W N -0.115 121.167 121.300 -0.029 0.000 3.107 71 W HA 0.503 5.163 4.660 -0.000 0.000 0.331 71 W C -0.992 175.500 176.519 -0.044 0.000 1.204 71 W CA -0.656 56.670 57.345 -0.031 0.000 1.184 71 W CB 1.676 31.118 29.460 -0.030 0.000 1.421 71 W HN 0.328 nan 8.180 nan 0.000 0.544 72 R N 2.945 123.584 120.500 0.230 0.000 2.435 72 R HA 0.345 4.685 4.340 -0.000 0.000 0.308 72 R C -0.646 175.673 176.300 0.032 0.000 0.975 72 R CA -0.793 55.362 56.100 0.092 0.000 0.867 72 R CB 1.162 31.475 30.300 0.023 0.000 1.171 72 R HN 0.514 nan 8.270 nan 0.000 0.470 73 K N 5.877 126.289 120.400 0.020 0.000 2.412 73 K HA 0.144 4.464 4.320 -0.000 0.000 0.284 73 K C -1.104 175.397 176.600 -0.165 0.000 1.046 73 K CA 0.061 56.309 56.287 -0.064 0.000 0.999 73 K CB 0.443 32.945 32.500 0.003 0.000 0.941 73 K HN 0.544 nan 8.250 nan 0.000 0.474 74 L N 5.270 126.207 121.223 -0.477 0.000 2.376 74 L HA 0.373 4.713 4.340 -0.000 0.000 0.275 74 L C -0.894 175.527 176.870 -0.748 0.000 0.987 74 L CA -1.296 53.121 54.840 -0.706 0.000 0.828 74 L CB 2.011 43.393 42.059 -1.129 0.000 1.249 74 L HN 0.352 nan 8.230 nan 0.000 0.409 75 V N 0.848 120.498 119.914 -0.440 0.000 2.394 75 V HA 0.138 4.258 4.120 -0.000 0.000 0.282 75 V C 0.062 176.036 176.094 -0.201 0.000 1.031 75 V CA -0.505 61.508 62.300 -0.480 0.000 0.881 75 V CB 1.743 32.894 31.823 -1.119 0.000 0.982 75 V HN 0.656 nan 8.190 nan 0.000 0.451 76 D N 3.421 123.849 120.400 0.048 0.000 2.767 76 D HA 0.128 4.768 4.640 -0.000 0.000 0.231 76 D C 0.697 177.072 176.300 0.125 0.000 1.105 76 D CA -0.174 53.964 54.000 0.230 0.000 1.024 76 D CB -0.334 40.716 40.800 0.418 0.000 1.123 76 D HN 0.405 nan 8.370 nan 0.000 0.470 77 F N 0.525 120.564 119.950 0.149 0.000 2.788 77 F HA 0.055 4.582 4.527 -0.000 0.000 0.300 77 F C 2.251 178.144 175.800 0.155 0.000 1.229 77 F CA 0.152 58.229 58.000 0.129 0.000 1.446 77 F CB -0.477 38.604 39.000 0.136 0.000 1.118 77 F HN 0.286 nan 8.300 nan 0.000 0.579 78 R N 0.513 121.196 120.500 0.305 0.000 2.154 78 R HA -0.263 4.077 4.340 -0.000 0.000 0.248 78 R C 2.073 178.495 176.300 0.202 0.000 1.155 78 R CA 1.931 58.167 56.100 0.226 0.000 0.979 78 R CB -0.098 30.310 30.300 0.181 0.000 0.869 78 R HN 0.207 nan 8.270 nan 0.000 0.452 79 E N 0.142 120.471 120.200 0.215 0.000 2.112 79 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 79 E C 1.725 178.431 176.600 0.176 0.000 0.979 79 E CA 0.619 57.123 56.400 0.174 0.000 0.814 79 E CB -0.159 29.641 29.700 0.166 0.000 0.762 79 E HN 0.294 nan 8.360 nan 0.000 0.460 80 L N 0.953 122.322 121.223 0.244 0.000 2.005 80 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 80 L C 1.579 178.579 176.870 0.216 0.000 1.072 80 L CA 1.810 56.759 54.840 0.182 0.000 0.744 80 L CB -0.860 41.269 42.059 0.116 0.000 0.895 80 L HN 0.110 nan 8.230 nan 0.000 0.433 81 N N 0.355 119.224 118.700 0.282 0.000 2.132 81 N HA -0.253 4.487 4.740 -0.000 0.000 0.191 81 N C 1.686 177.286 175.510 0.150 0.000 1.015 81 N CA 1.834 55.027 53.050 0.237 0.000 0.864 81 N CB -0.304 38.297 38.487 0.190 0.000 1.006 81 N HN 0.528 nan 8.380 nan 0.000 0.430 82 K N 0.595 121.071 120.400 0.127 0.000 2.217 82 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 82 K C 1.601 178.245 176.600 0.072 0.000 1.051 82 K CA 0.749 57.088 56.287 0.086 0.000 0.952 82 K CB 0.047 32.595 32.500 0.079 0.000 0.736 82 K HN 0.215 nan 8.250 nan 0.000 0.453 83 R N 0.339 120.887 120.500 0.081 0.000 2.334 83 R HA 0.096 4.436 4.340 -0.000 0.000 0.216 83 R C 0.093 176.431 176.300 0.064 0.000 0.905 83 R CA 0.169 56.297 56.100 0.048 0.000 1.064 83 R CB 0.591 30.897 30.300 0.010 0.000 1.046 83 R HN -0.037 nan 8.270 nan 0.000 0.508 84 T N 1.948 116.582 114.554 0.132 0.000 2.907 84 T HA 0.110 4.460 4.350 -0.000 0.000 0.284 84 T C -0.069 174.672 174.700 0.069 0.000 1.004 84 T CA -0.794 61.410 62.100 0.173 0.000 1.063 84 T CB 1.561 70.678 68.868 0.416 0.000 0.992 84 T HN 0.208 nan 8.240 nan 0.000 0.483 85 Q N 1.531 121.309 119.800 -0.035 0.000 2.394 85 Q HA 0.059 4.399 4.340 -0.000 0.000 0.303 85 Q C -1.004 174.852 176.000 -0.240 0.000 1.117 85 Q CA -0.043 55.651 55.803 -0.181 0.000 0.966 85 Q CB -0.002 28.535 28.738 -0.334 0.000 1.275 85 Q HN 0.488 nan 8.270 nan 0.000 0.429 86 D N 0.828 121.091 120.400 -0.228 0.000 2.329 86 D HA 0.407 5.047 4.640 -0.000 0.000 0.246 86 D C -1.025 175.070 176.300 -0.343 0.000 1.111 86 D CA 0.009 53.929 54.000 -0.134 0.000 0.941 86 D CB 0.430 41.201 40.800 -0.049 0.000 1.169 86 D HN 0.359 nan 8.370 nan 0.000 0.441 87 F N 0.074 119.960 119.950 -0.107 0.000 2.577 87 F HA 0.341 4.868 4.527 -0.000 0.000 0.318 87 F C -0.460 175.330 175.800 -0.016 0.000 1.065 87 F CA -1.213 56.734 58.000 -0.089 0.000 0.929 87 F CB 1.374 40.250 39.000 -0.206 0.000 1.237 87 F HN 0.279 nan 8.300 nan 0.000 0.468 88 W N 4.113 125.449 121.300 0.061 0.000 2.335 88 W HA 0.313 4.973 4.660 0.000 0.000 0.307 88 W C -0.679 175.846 176.519 0.010 0.000 1.117 88 W CA -0.655 56.697 57.345 0.011 0.000 1.228 88 W CB 1.047 30.497 29.460 -0.017 0.000 1.240 88 W HN 0.508 nan 8.180 nan 0.000 0.468 89 E N 3.656 123.498 120.200 -0.597 0.000 2.384 89 E HA -0.052 4.298 4.350 -0.000 0.000 0.266 89 E C 0.536 176.963 176.600 -0.289 0.000 1.012 89 E CA 0.008 56.174 56.400 -0.391 0.000 0.901 89 E CB 2.412 31.871 29.700 -0.401 0.000 0.967 89 E HN 0.450 nan 8.360 nan 0.000 0.435 90 V N 2.917 122.771 119.914 -0.100 0.000 3.647 90 V HA -0.030 4.090 4.120 -0.000 0.000 0.279 90 V C 0.304 176.369 176.094 -0.047 0.000 1.314 90 V CA 0.485 62.783 62.300 -0.002 0.000 1.125 90 V CB 0.202 32.039 31.823 0.022 0.000 0.907 90 V HN 0.405 nan 8.190 nan 0.000 0.434 91 Q N 0.689 120.425 119.800 -0.107 0.000 2.389 91 Q HA 0.229 4.569 4.340 -0.000 0.000 0.244 91 Q C 0.398 176.353 176.000 -0.075 0.000 1.056 91 Q CA -0.045 55.693 55.803 -0.109 0.000 0.908 91 Q CB 1.601 30.241 28.738 -0.164 0.000 1.273 91 Q HN 0.378 nan 8.270 nan 0.000 0.471 92 L N 1.447 122.654 121.223 -0.026 0.000 2.307 92 L HA 0.253 4.593 4.340 -0.000 0.000 0.211 92 L C 1.129 178.007 176.870 0.014 0.000 1.099 92 L CA 0.924 55.762 54.840 -0.003 0.000 0.816 92 L CB -0.011 42.063 42.059 0.024 0.000 0.952 92 L HN 0.630 nan 8.230 nan 0.000 0.455 93 G N -1.708 107.118 108.800 0.044 0.000 2.561 93 G HA2 0.529 4.489 3.960 -0.000 0.000 0.310 93 G HA3 0.529 4.489 3.960 -0.000 0.000 0.310 93 G C -1.654 173.338 174.900 0.154 0.000 1.292 93 G CA -0.565 44.577 45.100 0.069 0.000 0.811 93 G HN -0.149 nan 8.290 nan 0.000 0.482 94 I N 1.417 122.059 120.570 0.119 0.000 2.465 94 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 94 I C -2.105 174.036 176.117 0.040 0.000 1.014 94 I CA -1.761 59.602 61.300 0.105 0.000 1.093 94 I CB 2.324 40.312 38.000 -0.020 0.000 1.267 94 I HN 0.199 nan 8.210 nan 0.000 0.431 95 P HA 0.067 nan 4.420 nan 0.000 0.270 95 P C -0.959 176.342 177.300 0.001 0.000 1.227 95 P CA 0.159 63.356 63.100 0.161 0.000 0.788 95 P CB 0.331 32.265 31.700 0.391 0.000 0.926 96 H N 1.001 120.032 119.070 -0.066 0.000 2.947 96 H HA 0.163 4.718 4.556 -0.000 0.000 0.354 96 H C -2.155 172.945 175.328 -0.379 0.000 1.085 96 H CA -1.976 53.894 56.048 -0.296 0.000 1.253 96 H CB 2.053 31.610 29.762 -0.341 0.000 1.757 96 H HN 0.189 nan 8.280 nan 0.000 0.523 97 P HA -0.161 nan 4.420 nan 0.000 0.216 97 P C 1.030 178.038 177.300 -0.486 0.000 1.150 97 P CA 1.764 64.455 63.100 -0.683 0.000 0.843 97 P CB 0.071 30.770 31.700 -1.668 0.000 0.787 98 A N -0.099 122.508 122.820 -0.354 0.000 2.178 98 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 98 A C 2.322 180.023 177.584 0.195 0.000 1.157 98 A CA 1.577 53.626 52.037 0.019 0.000 0.689 98 A CB -1.494 17.506 19.000 -0.001 0.000 0.787 98 A HN 0.367 nan 8.150 nan 0.000 0.465 99 G N -1.307 107.438 108.800 -0.092 0.000 3.126 99 G HA2 0.407 4.367 3.960 -0.000 0.000 0.224 99 G HA3 0.407 4.367 3.960 -0.000 0.000 0.224 99 G C 0.346 175.310 174.900 0.106 0.000 1.142 99 G CA -0.308 44.713 45.100 -0.130 0.000 0.759 99 G HN 0.353 nan 8.290 nan 0.000 0.550 100 L N 0.837 122.091 121.223 0.052 0.000 2.375 100 L HA 0.419 4.758 4.340 -0.000 0.000 0.271 100 L C 0.135 177.063 176.870 0.096 0.000 1.107 100 L CA -0.494 54.293 54.840 -0.088 0.000 0.806 100 L CB 1.579 43.365 42.059 -0.455 0.000 1.146 100 L HN -0.001 nan 8.230 nan 0.000 0.447 101 K N 2.429 122.824 120.400 -0.008 0.000 2.139 101 K HA 0.357 4.677 4.320 -0.000 0.000 0.243 101 K C -0.690 175.801 176.600 -0.181 0.000 0.983 101 K CA -1.039 55.249 56.287 0.001 0.000 0.890 101 K CB 1.211 33.732 32.500 0.035 0.000 1.090 101 K HN 0.346 nan 8.250 nan 0.000 0.445 102 K N 1.884 122.214 120.400 -0.117 0.000 2.237 102 K HA 0.270 4.590 4.320 -0.000 0.000 0.270 102 K C -0.527 176.017 176.600 -0.093 0.000 1.015 102 K CA -0.335 55.862 56.287 -0.151 0.000 0.949 102 K CB 0.586 33.080 32.500 -0.011 0.000 0.976 102 K HN 0.309 nan 8.250 nan 0.000 0.472 103 K N 2.374 122.712 120.400 -0.103 0.000 2.513 103 K HA 0.183 4.503 4.320 -0.000 0.000 0.251 103 K C 0.399 176.956 176.600 -0.072 0.000 0.939 103 K CA -0.626 55.619 56.287 -0.070 0.000 0.793 103 K CB 2.257 34.710 32.500 -0.078 0.000 1.241 103 K HN 0.628 nan 8.250 nan 0.000 0.431 104 K N 0.745 121.116 120.400 -0.048 0.000 2.089 104 K HA -0.058 4.262 4.320 -0.000 0.000 0.210 104 K C 0.096 176.632 176.600 -0.106 0.000 1.048 104 K CA 1.443 57.701 56.287 -0.048 0.000 0.926 104 K CB 0.214 32.698 32.500 -0.027 0.000 0.714 104 K HN 0.463 nan 8.250 nan 0.000 0.448 105 S N -0.580 114.991 115.700 -0.216 0.000 2.526 105 S HA 0.541 5.011 4.470 -0.000 0.000 0.293 105 S C -1.264 172.956 174.600 -0.634 0.000 1.092 105 S CA -0.984 56.908 58.200 -0.513 0.000 0.980 105 S CB 2.630 65.296 63.200 -0.891 0.000 1.048 105 S HN -0.030 nan 8.310 nan 0.000 0.483 106 V N 1.783 121.396 119.914 -0.501 0.000 3.087 106 V HA 0.852 4.972 4.120 -0.000 0.000 0.306 106 V C -0.580 175.423 176.094 -0.151 0.000 1.187 106 V CA -0.805 61.236 62.300 -0.432 0.000 0.999 106 V CB 2.363 33.752 31.823 -0.723 0.000 1.049 106 V HN 1.080 nan 8.190 nan 0.000 0.431 107 T N -0.390 113.980 114.554 -0.306 0.000 2.840 107 T HA 0.787 5.137 4.350 -0.000 0.000 0.317 107 T C -1.084 173.466 174.700 -0.249 0.000 1.401 107 T CA -0.676 61.403 62.100 -0.036 0.000 1.028 107 T CB 1.738 70.706 68.868 0.166 0.000 1.317 107 T HN 1.668 nan 8.240 nan 0.000 0.495 108 V N -0.079 119.825 119.914 -0.015 0.000 2.668 108 V HA 0.875 4.995 4.120 -0.000 0.000 0.304 108 V C -1.888 174.268 176.094 0.103 0.000 1.071 108 V CA -0.940 61.352 62.300 -0.014 0.000 0.894 108 V CB 1.044 32.827 31.823 -0.067 0.000 1.008 108 V HN 0.905 nan 8.190 nan 0.000 0.425 109 L N 3.904 125.189 121.223 0.104 0.000 2.301 109 L HA 0.809 5.149 4.340 -0.000 0.000 0.264 109 L C -0.144 176.811 176.870 0.141 0.000 1.016 109 L CA -0.133 54.781 54.840 0.124 0.000 0.821 109 L CB 1.692 43.805 42.059 0.090 0.000 1.346 109 L HN 0.936 nan 8.230 nan 0.000 0.429 110 D N -0.536 119.950 120.400 0.144 0.000 2.581 110 D HA 0.518 5.158 4.640 -0.000 0.000 0.232 110 D C -1.721 174.669 176.300 0.150 0.000 1.143 110 D CA -0.311 53.776 54.000 0.144 0.000 0.881 110 D CB 2.947 43.825 40.800 0.130 0.000 1.500 110 D HN 0.220 nan 8.370 nan 0.000 0.458 111 V N 1.674 121.683 119.914 0.158 0.000 2.328 111 V HA 0.421 4.541 4.120 -0.000 0.000 0.278 111 V C 1.086 177.276 176.094 0.161 0.000 1.021 111 V CA -0.757 61.655 62.300 0.188 0.000 0.838 111 V CB 1.040 33.014 31.823 0.252 0.000 0.999 111 V HN 0.644 nan 8.190 nan 0.000 0.447 112 G N 3.260 112.165 108.800 0.174 0.000 2.202 112 G HA2 0.216 4.176 3.960 -0.000 0.000 0.251 112 G HA3 0.216 4.176 3.960 -0.000 0.000 0.251 112 G C 0.058 175.034 174.900 0.127 0.000 1.219 112 G CA -0.027 45.145 45.100 0.119 0.000 0.943 112 G HN 0.884 nan 8.290 nan 0.000 0.465 113 D N 0.752 121.226 120.400 0.123 0.000 3.038 113 D HA -0.200 4.440 4.640 -0.000 0.000 0.229 113 D C 1.355 177.823 176.300 0.281 0.000 1.182 113 D CA 0.970 55.118 54.000 0.246 0.000 0.852 113 D CB -1.061 39.864 40.800 0.209 0.000 0.932 113 D HN 0.655 nan 8.370 nan 0.000 0.406 114 A N 0.797 123.709 122.820 0.153 0.000 1.840 114 A HA -0.185 4.135 4.320 -0.000 0.000 0.214 114 A C 1.795 179.553 177.584 0.290 0.000 1.198 114 A CA 0.977 53.120 52.037 0.177 0.000 0.608 114 A CB -0.474 18.467 19.000 -0.099 0.000 0.839 114 A HN 0.409 nan 8.150 nan 0.000 0.443 115 Y N -0.572 119.618 120.300 -0.183 0.000 2.102 115 Y HA -0.240 4.310 4.550 -0.000 0.000 0.280 115 Y C 2.024 177.901 175.900 -0.038 0.000 1.178 115 Y CA 1.008 59.003 58.100 -0.175 0.000 1.146 115 Y CB -1.374 36.830 38.460 -0.426 0.000 0.968 115 Y HN 0.347 nan 8.280 nan 0.000 0.504 116 F N -0.957 119.165 119.950 0.286 0.000 2.773 116 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 116 F C 1.980 177.892 175.800 0.187 0.000 1.204 116 F CA 0.836 58.965 58.000 0.216 0.000 1.454 116 F CB -0.322 38.757 39.000 0.131 0.000 1.117 116 F HN -0.122 nan 8.300 nan 0.000 0.590 117 S N -1.349 114.559 115.700 0.347 0.000 2.526 117 S HA 0.196 4.666 4.470 -0.000 0.000 0.220 117 S C 0.396 175.144 174.600 0.248 0.000 1.017 117 S CA -0.094 58.279 58.200 0.289 0.000 0.930 117 S CB 0.549 63.929 63.200 0.300 0.000 0.856 117 S HN -0.122 nan 8.310 nan 0.000 0.497 118 V N 5.401 125.464 119.914 0.247 0.000 2.333 118 V HA 0.332 4.452 4.120 -0.000 0.000 0.274 118 V C -2.394 173.795 176.094 0.158 0.000 1.028 118 V CA -2.355 60.056 62.300 0.185 0.000 0.851 118 V CB 0.944 32.873 31.823 0.176 0.000 1.000 118 V HN 0.138 nan 8.190 nan 0.000 0.456 119 P HA -0.012 nan 4.420 nan 0.000 0.264 119 P C -0.623 176.750 177.300 0.121 0.000 1.183 119 P CA -0.065 63.115 63.100 0.133 0.000 0.763 119 P CB 0.980 32.751 31.700 0.119 0.000 0.807 120 L N 3.325 124.622 121.223 0.123 0.000 2.307 120 L HA 0.347 4.687 4.340 -0.000 0.000 0.282 120 L C 0.347 177.286 176.870 0.115 0.000 1.051 120 L CA -0.539 54.367 54.840 0.110 0.000 0.804 120 L CB 0.482 42.593 42.059 0.088 0.000 1.197 120 L HN 0.330 nan 8.230 nan 0.000 0.431 121 D N 3.551 124.026 120.400 0.124 0.000 2.752 121 D HA -0.168 4.472 4.640 -0.000 0.000 0.225 121 D C 0.804 177.188 176.300 0.139 0.000 1.104 121 D CA 0.871 54.948 54.000 0.129 0.000 0.832 121 D CB 0.785 41.666 40.800 0.136 0.000 1.161 121 D HN 0.860 nan 8.370 nan 0.000 0.505 122 E N 2.745 123.009 120.200 0.107 0.000 2.002 122 E HA -0.247 4.103 4.350 -0.000 0.000 0.205 122 E C 1.114 177.763 176.600 0.081 0.000 1.020 122 E CA 1.666 58.117 56.400 0.084 0.000 0.856 122 E CB 0.090 29.830 29.700 0.066 0.000 0.788 122 E HN 0.558 nan 8.360 nan 0.000 0.477 123 D N -0.347 120.109 120.400 0.093 0.000 2.239 123 D HA -0.193 4.446 4.640 -0.000 0.000 0.202 123 D C 1.627 177.995 176.300 0.113 0.000 0.993 123 D CA 0.782 54.834 54.000 0.087 0.000 0.874 123 D CB -0.274 40.595 40.800 0.115 0.000 0.922 123 D HN 0.202 nan 8.370 nan 0.000 0.464 124 F N 1.568 121.527 119.950 0.014 0.000 2.367 124 F HA 0.033 4.560 4.527 -0.000 0.000 0.298 124 F C 2.128 177.879 175.800 -0.083 0.000 1.094 124 F CA 0.494 58.521 58.000 0.045 0.000 1.409 124 F CB 0.010 39.025 39.000 0.024 0.000 1.064 124 F HN -0.228 nan 8.300 nan 0.000 0.528 125 R N 0.576 121.025 120.500 -0.084 0.000 2.154 125 R HA -0.242 4.098 4.340 -0.000 0.000 0.248 125 R C 2.055 178.200 176.300 -0.259 0.000 1.155 125 R CA 1.894 57.914 56.100 -0.134 0.000 0.979 125 R CB -0.414 29.881 30.300 -0.009 0.000 0.869 125 R HN 0.308 nan 8.270 nan 0.000 0.452 126 K N -0.034 120.111 120.400 -0.425 0.000 2.032 126 K HA -0.239 4.081 4.320 -0.000 0.000 0.218 126 K C 1.916 178.264 176.600 -0.420 0.000 1.054 126 K CA 2.213 58.215 56.287 -0.475 0.000 0.941 126 K CB -0.495 31.537 32.500 -0.780 0.000 0.720 126 K HN 0.273 nan 8.250 nan 0.000 0.449 127 Y N 1.121 121.173 120.300 -0.414 0.000 2.421 127 Y HA -0.121 4.429 4.550 -0.000 0.000 0.292 127 Y C 2.431 178.178 175.900 -0.256 0.000 1.136 127 Y CA 1.198 58.971 58.100 -0.545 0.000 1.255 127 Y CB -1.218 36.672 38.460 -0.951 0.000 0.991 127 Y HN 0.209 nan 8.280 nan 0.000 0.552 128 T N -1.832 112.640 114.554 -0.137 0.000 3.284 128 T HA 0.405 4.755 4.350 -0.000 0.000 0.252 128 T C 0.792 175.785 174.700 0.489 0.000 1.144 128 T CA 0.060 62.260 62.100 0.168 0.000 1.021 128 T CB -0.796 68.111 68.868 0.066 0.000 0.984 128 T HN 0.258 nan 8.240 nan 0.000 0.545 129 A N 1.663 124.685 122.820 0.337 0.000 2.440 129 A HA 0.585 4.905 4.320 -0.000 0.000 0.251 129 A C -0.017 177.808 177.584 0.401 0.000 1.089 129 A CA -0.687 51.539 52.037 0.314 0.000 0.779 129 A CB -0.277 18.825 19.000 0.170 0.000 1.022 129 A HN 0.692 nan 8.150 nan 0.000 0.492 130 F N -0.508 119.532 119.950 0.149 0.000 2.790 130 F HA 0.887 5.414 4.527 -0.000 0.000 0.337 130 F C -0.335 175.502 175.800 0.061 0.000 1.163 130 F CA -1.110 56.938 58.000 0.079 0.000 0.997 130 F CB 1.162 40.202 39.000 0.066 0.000 1.437 130 F HN 0.313 nan 8.300 nan 0.000 0.512 131 T N 2.646 117.272 114.554 0.121 0.000 2.991 131 T HA 0.504 4.854 4.350 -0.000 0.000 0.303 131 T C -1.193 173.568 174.700 0.103 0.000 1.015 131 T CA -0.346 61.742 62.100 -0.020 0.000 1.007 131 T CB 1.323 70.165 68.868 -0.042 0.000 1.034 131 T HN 0.468 nan 8.240 nan 0.000 0.446 132 I N 6.171 126.800 120.570 0.098 0.000 2.315 132 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 132 I C -1.845 174.302 176.117 0.050 0.000 1.006 132 I CA -2.981 58.403 61.300 0.140 0.000 1.265 132 I CB 1.048 39.194 38.000 0.243 0.000 1.387 132 I HN 0.343 nan 8.210 nan 0.000 0.475 133 P HA 0.122 nan 4.420 nan 0.000 0.272 133 P C -0.281 177.023 177.300 0.007 0.000 1.230 133 P CA -0.285 62.822 63.100 0.012 0.000 0.788 133 P CB 0.741 32.451 31.700 0.016 0.000 0.949 134 S N 1.253 116.951 115.700 -0.003 0.000 2.585 134 S HA 0.090 4.560 4.470 -0.000 0.000 0.273 134 S C 1.771 176.368 174.600 -0.006 0.000 1.339 134 S CA -0.456 57.739 58.200 -0.007 0.000 1.028 134 S CB -0.033 63.159 63.200 -0.013 0.000 0.906 134 S HN 0.292 nan 8.310 nan 0.000 0.528 135 I N 2.051 122.616 120.570 -0.010 0.000 2.399 135 I HA -0.222 3.948 4.170 -0.000 0.000 0.254 135 I C 1.809 177.922 176.117 -0.008 0.000 1.146 135 I CA 1.498 62.791 61.300 -0.012 0.000 1.412 135 I CB -0.905 37.086 38.000 -0.015 0.000 1.076 135 I HN 0.797 nan 8.210 nan 0.000 0.432 136 N N -1.676 117.020 118.700 -0.006 0.000 2.171 136 N HA 0.001 4.741 4.740 -0.000 0.000 0.212 136 N C 0.609 176.119 175.510 -0.001 0.000 1.184 136 N CA 0.022 53.070 53.050 -0.003 0.000 0.888 136 N CB -0.063 38.421 38.487 -0.004 0.000 1.038 136 N HN 0.168 nan 8.380 nan 0.000 0.517 137 N N 0.327 119.027 118.700 -0.001 0.000 2.776 137 N HA -0.195 4.544 4.740 -0.000 0.000 0.249 137 N C -0.147 175.362 175.510 -0.002 0.000 1.111 137 N CA 1.041 54.091 53.050 0.001 0.000 0.711 137 N CB -0.626 37.866 38.487 0.008 0.000 1.065 137 N HN 0.703 nan 8.380 nan 0.000 0.556 138 E N -0.831 119.365 120.200 -0.007 0.000 2.028 138 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 138 E C 1.174 177.767 176.600 -0.012 0.000 0.984 138 E CA 1.670 58.065 56.400 -0.008 0.000 0.800 138 E CB -0.264 29.430 29.700 -0.010 0.000 0.758 138 E HN 0.600 nan 8.360 nan 0.000 0.448 139 T N -2.373 112.171 114.554 -0.017 0.000 2.906 139 T HA 0.560 4.910 4.350 -0.000 0.000 0.295 139 T C -2.859 171.823 174.700 -0.029 0.000 1.075 139 T CA -2.749 59.337 62.100 -0.023 0.000 1.005 139 T CB 1.508 70.360 68.868 -0.027 0.000 1.136 139 T HN -0.275 nan 8.240 nan 0.000 0.498 140 P HA 0.190 nan 4.420 nan 0.000 0.261 140 P C 0.847 178.111 177.300 -0.059 0.000 1.165 140 P CA 0.380 63.453 63.100 -0.046 0.000 0.759 140 P CB 0.064 31.731 31.700 -0.054 0.000 0.772 141 G N 3.377 112.142 108.800 -0.058 0.000 2.529 141 G HA2 0.223 4.183 3.960 -0.000 0.000 0.234 141 G HA3 0.223 4.183 3.960 -0.000 0.000 0.234 141 G C -0.310 174.511 174.900 -0.131 0.000 1.527 141 G CA -0.352 44.708 45.100 -0.067 0.000 1.062 141 G HN 0.411 nan 8.290 nan 0.000 0.558 142 I N 0.465 120.928 120.570 -0.179 0.000 2.336 142 I HA 0.350 4.519 4.170 -0.000 0.000 0.292 142 I C 0.443 176.240 176.117 -0.534 0.000 0.991 142 I CA -0.446 60.612 61.300 -0.403 0.000 1.227 142 I CB 1.363 39.002 38.000 -0.602 0.000 1.366 142 I HN 0.328 nan 8.210 nan 0.000 0.466 143 R N 5.378 125.567 120.500 -0.517 0.000 2.234 143 R HA 0.407 4.747 4.340 -0.000 0.000 0.324 143 R C -1.293 174.612 176.300 -0.660 0.000 1.054 143 R CA -0.251 55.563 56.100 -0.477 0.000 0.912 143 R CB 0.782 30.909 30.300 -0.288 0.000 1.030 143 R HN 0.375 nan 8.270 nan 0.000 0.455 144 Y N 0.767 120.626 120.300 -0.736 0.000 2.587 144 Y HA 0.287 4.837 4.550 -0.000 0.000 0.337 144 Y C 0.029 175.626 175.900 -0.505 0.000 1.065 144 Y CA -0.674 57.008 58.100 -0.696 0.000 1.126 144 Y CB 1.799 39.700 38.460 -0.932 0.000 1.279 144 Y HN 0.381 nan 8.280 nan 0.000 0.489 145 Q N 1.711 121.564 119.800 0.088 0.000 2.295 145 Q HA 0.302 4.642 4.340 -0.000 0.000 0.259 145 Q C -1.932 174.272 176.000 0.339 0.000 0.966 145 Q CA -0.717 55.234 55.803 0.247 0.000 0.763 145 Q CB 0.986 29.785 28.738 0.102 0.000 1.283 145 Q HN 0.748 nan 8.270 nan 0.000 0.445 146 Y N 2.684 123.188 120.300 0.340 0.000 2.805 146 Y HA -0.084 4.466 4.550 -0.000 0.000 0.337 146 Y C 0.996 176.981 175.900 0.142 0.000 1.252 146 Y CA 1.159 59.410 58.100 0.252 0.000 1.515 146 Y CB 0.531 39.119 38.460 0.214 0.000 1.305 146 Y HN 0.709 nan 8.280 nan 0.000 0.600 147 N N 0.319 119.192 118.700 0.289 0.000 2.171 147 N HA 0.134 4.874 4.740 -0.000 0.000 0.212 147 N C -1.122 174.512 175.510 0.206 0.000 1.184 147 N CA 0.330 53.495 53.050 0.193 0.000 0.888 147 N CB 0.811 39.383 38.487 0.142 0.000 1.038 147 N HN 0.348 nan 8.380 nan 0.000 0.517 148 V N -2.535 117.552 119.914 0.288 0.000 3.130 148 V HA 0.525 4.645 4.120 -0.000 0.000 0.310 148 V C -0.203 176.011 176.094 0.200 0.000 1.158 148 V CA -1.333 61.114 62.300 0.245 0.000 1.029 148 V CB 1.625 33.621 31.823 0.288 0.000 1.057 148 V HN -0.262 nan 8.190 nan 0.000 0.436 149 L N 4.244 125.520 121.223 0.089 0.000 2.771 149 L HA 0.213 4.553 4.340 -0.000 0.000 0.278 149 L C -2.018 174.786 176.870 -0.110 0.000 1.175 149 L CA -0.095 54.724 54.840 -0.036 0.000 0.973 149 L CB -0.762 41.207 42.059 -0.151 0.000 1.286 149 L HN 0.644 nan 8.230 nan 0.000 0.481 150 P HA 0.182 nan 4.420 nan 0.000 0.294 150 P C -0.988 176.270 177.300 -0.071 0.000 1.294 150 P CA -0.831 62.017 63.100 -0.419 0.000 0.827 150 P CB 0.923 32.059 31.700 -0.941 0.000 0.992 151 Q N 0.989 120.770 119.800 -0.032 0.000 2.364 151 Q HA 0.394 4.734 4.340 -0.000 0.000 0.267 151 Q C 0.919 176.998 176.000 0.131 0.000 0.999 151 Q CA 0.414 56.291 55.803 0.123 0.000 0.886 151 Q CB -0.025 28.689 28.738 -0.040 0.000 1.243 151 Q HN 0.846 nan 8.270 nan 0.000 0.415 152 G N 1.722 110.638 108.800 0.194 0.000 2.303 152 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.260 152 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.260 152 G C -1.333 173.824 174.900 0.428 0.000 1.106 152 G CA -0.118 45.123 45.100 0.234 0.000 0.900 152 G HN 0.614 nan 8.290 nan 0.000 0.495 153 W N 0.508 121.851 121.300 0.072 0.000 3.439 153 W HA 0.610 5.270 4.660 -0.000 0.000 0.323 153 W C 0.765 177.193 176.519 -0.151 0.000 1.174 153 W CA -1.333 55.998 57.345 -0.024 0.000 1.224 153 W CB 0.555 29.933 29.460 -0.136 0.000 1.348 153 W HN 0.051 nan 8.180 nan 0.000 0.498 154 K N 2.318 122.268 120.400 -0.749 0.000 2.144 154 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 154 K C 1.855 177.674 176.600 -1.302 0.000 1.047 154 K CA 2.241 58.044 56.287 -0.806 0.000 0.927 154 K CB -0.252 31.898 32.500 -0.582 0.000 0.716 154 K HN 0.639 nan 8.250 nan 0.000 0.454 155 G N -0.281 107.083 108.800 -2.394 0.000 2.551 155 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.216 155 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.216 155 G C 1.379 175.560 174.900 -1.198 0.000 1.137 155 G CA 0.248 43.783 45.100 -2.608 0.000 0.798 155 G HN 0.136 nan 8.290 nan 0.000 0.536 156 S N 1.693 116.979 115.700 -0.690 0.000 2.354 156 S HA -0.089 4.381 4.470 -0.000 0.000 0.219 156 S C 0.409 174.672 174.600 -0.561 0.000 1.035 156 S CA 1.726 59.659 58.200 -0.445 0.000 1.037 156 S CB -0.782 62.188 63.200 -0.384 0.000 0.956 156 S HN 0.361 nan 8.310 nan 0.000 0.428 157 P HA -0.143 nan 4.420 nan 0.000 0.214 157 P C 1.270 178.471 177.300 -0.165 0.000 1.163 157 P CA 1.928 64.920 63.100 -0.179 0.000 0.889 157 P CB -0.196 31.422 31.700 -0.137 0.000 0.790 158 A N -0.201 122.457 122.820 -0.269 0.000 1.897 158 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 158 A C 2.374 179.873 177.584 -0.143 0.000 1.181 158 A CA 1.279 53.198 52.037 -0.197 0.000 0.620 158 A CB -1.323 17.537 19.000 -0.233 0.000 0.821 158 A HN 0.015 nan 8.150 nan 0.000 0.443 159 I N -0.995 119.449 120.570 -0.210 0.000 2.091 159 I HA -0.270 3.900 4.170 -0.000 0.000 0.239 159 I C 2.352 178.434 176.117 -0.058 0.000 1.061 159 I CA 1.805 63.039 61.300 -0.109 0.000 1.317 159 I CB -1.626 36.315 38.000 -0.098 0.000 1.031 159 I HN 0.469 nan 8.210 nan 0.000 0.401 160 F N 1.919 121.743 119.950 -0.209 0.000 2.011 160 F HA -0.325 4.202 4.527 -0.000 0.000 0.296 160 F C 2.835 178.579 175.800 -0.094 0.000 1.144 160 F CA 2.164 60.078 58.000 -0.144 0.000 1.185 160 F CB -0.575 38.327 39.000 -0.163 0.000 0.961 160 F HN 0.153 nan 8.300 nan 0.000 0.485 161 Q N -0.448 119.437 119.800 0.141 0.000 2.133 161 Q HA -0.281 4.059 4.340 -0.000 0.000 0.208 161 Q C 2.418 178.343 176.000 -0.125 0.000 0.991 161 Q CA 2.085 57.895 55.803 0.013 0.000 0.867 161 Q CB -0.727 28.021 28.738 0.016 0.000 0.911 161 Q HN 0.502 nan 8.270 nan 0.000 0.417 162 S N -0.027 115.610 115.700 -0.105 0.000 2.368 162 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 162 S C 2.026 176.531 174.600 -0.158 0.000 1.029 162 S CA 1.442 59.581 58.200 -0.101 0.000 0.988 162 S CB -0.087 63.080 63.200 -0.054 0.000 0.838 162 S HN 0.337 nan 8.310 nan 0.000 0.462 163 S N 1.057 116.631 115.700 -0.210 0.000 2.406 163 S HA 0.024 4.494 4.470 -0.000 0.000 0.228 163 S C 1.718 176.093 174.600 -0.374 0.000 1.020 163 S CA 1.237 59.284 58.200 -0.254 0.000 0.965 163 S CB -0.321 62.748 63.200 -0.218 0.000 0.798 163 S HN 0.616 nan 8.310 nan 0.000 0.488 164 M N 1.734 121.027 119.600 -0.512 0.000 2.394 164 M HA 0.020 4.500 4.480 -0.000 0.000 0.264 164 M C 1.647 177.762 176.300 -0.307 0.000 1.073 164 M CA 1.318 56.301 55.300 -0.529 0.000 1.111 164 M CB -0.762 31.395 32.600 -0.739 0.000 1.401 164 M HN 0.063 nan 8.290 nan 0.000 0.448 165 T N 0.087 114.500 114.554 -0.235 0.000 2.937 165 T HA -0.007 4.343 4.350 -0.000 0.000 0.260 165 T C 1.713 176.314 174.700 -0.164 0.000 1.051 165 T CA 1.062 63.070 62.100 -0.153 0.000 1.141 165 T CB -0.012 68.792 68.868 -0.107 0.000 0.879 165 T HN 0.419 nan 8.240 nan 0.000 0.459 166 K N 0.558 120.833 120.400 -0.207 0.000 2.097 166 K HA -0.022 4.298 4.320 -0.000 0.000 0.206 166 K C 1.963 178.361 176.600 -0.336 0.000 1.049 166 K CA 0.963 57.115 56.287 -0.225 0.000 0.933 166 K CB -0.228 32.137 32.500 -0.226 0.000 0.717 166 K HN 0.188 nan 8.250 nan 0.000 0.442 167 I N 1.195 121.488 120.570 -0.462 0.000 2.226 167 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 167 I C 1.879 177.817 176.117 -0.299 0.000 1.100 167 I CA 1.410 62.300 61.300 -0.683 0.000 1.374 167 I CB -0.297 37.289 38.000 -0.690 0.000 1.057 167 I HN 0.087 nan 8.210 nan 0.000 0.413 168 L N -0.248 120.883 121.223 -0.152 0.000 2.552 168 L HA -0.054 4.286 4.340 -0.000 0.000 0.227 168 L C 2.228 179.160 176.870 0.103 0.000 1.146 168 L CA 0.378 55.240 54.840 0.036 0.000 0.858 168 L CB -0.560 41.493 42.059 -0.009 0.000 0.969 168 L HN 0.336 nan 8.230 nan 0.000 0.451 169 E N 1.119 121.330 120.200 0.019 0.000 2.058 169 E HA -0.203 4.146 4.350 -0.000 0.000 0.194 169 E C -0.518 176.116 176.600 0.058 0.000 0.997 169 E CA 1.380 57.793 56.400 0.022 0.000 0.801 169 E CB -0.438 29.247 29.700 -0.026 0.000 0.746 169 E HN 0.317 nan 8.360 nan 0.000 0.450 170 P HA -0.159 nan 4.420 nan 0.000 0.210 170 P C 1.169 178.482 177.300 0.020 0.000 1.189 170 P CA 1.101 64.233 63.100 0.054 0.000 0.920 170 P CB -0.279 31.480 31.700 0.099 0.000 0.782 171 F N 1.002 120.884 119.950 -0.113 0.000 2.111 171 F HA -0.301 4.226 4.527 -0.000 0.000 0.300 171 F C 1.984 177.759 175.800 -0.042 0.000 1.088 171 F CA 1.813 59.738 58.000 -0.124 0.000 1.243 171 F CB -0.331 38.651 39.000 -0.029 0.000 0.996 171 F HN -0.229 nan 8.300 nan 0.000 0.483 172 K N 0.493 121.023 120.400 0.215 0.000 2.057 172 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 172 K C 2.052 178.647 176.600 -0.009 0.000 1.049 172 K CA 1.588 57.951 56.287 0.127 0.000 0.931 172 K CB -0.407 32.161 32.500 0.114 0.000 0.714 172 K HN 0.369 nan 8.250 nan 0.000 0.440 173 K N 1.043 121.429 120.400 -0.024 0.000 2.020 173 K HA -0.202 4.118 4.320 -0.000 0.000 0.212 173 K C 2.315 178.859 176.600 -0.093 0.000 1.050 173 K CA 1.577 57.836 56.287 -0.047 0.000 0.929 173 K CB -0.155 32.325 32.500 -0.035 0.000 0.714 173 K HN 0.251 nan 8.250 nan 0.000 0.443 174 Q N 0.364 120.069 119.800 -0.158 0.000 2.096 174 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 174 Q C 0.291 176.158 176.000 -0.221 0.000 0.982 174 Q CA 0.899 56.581 55.803 -0.202 0.000 0.850 174 Q CB 0.028 28.599 28.738 -0.278 0.000 0.901 174 Q HN 0.305 nan 8.270 nan 0.000 0.422 175 N N 0.371 118.898 118.700 -0.288 0.000 3.040 175 N HA 0.147 4.887 4.740 -0.000 0.000 0.305 175 N C -2.266 173.190 175.510 -0.090 0.000 1.611 175 N CA -1.042 51.878 53.050 -0.217 0.000 1.049 175 N CB 1.062 39.346 38.487 -0.338 0.000 1.342 175 N HN 0.051 nan 8.380 nan 0.000 0.497 176 P HA -0.145 nan 4.420 nan 0.000 0.217 176 P C 0.671 177.974 177.300 0.004 0.000 1.148 176 P CA 1.287 64.375 63.100 -0.019 0.000 0.834 176 P CB 0.350 32.036 31.700 -0.022 0.000 0.783 177 D N -1.556 118.842 120.400 -0.002 0.000 2.363 177 D HA -0.018 4.622 4.640 -0.000 0.000 0.220 177 D C 0.771 177.096 176.300 0.043 0.000 0.994 177 D CA 0.649 54.659 54.000 0.018 0.000 0.890 177 D CB -0.040 40.765 40.800 0.009 0.000 0.906 177 D HN 0.157 nan 8.370 nan 0.000 0.530 178 I N 1.279 121.882 120.570 0.056 0.000 2.499 178 I HA 0.111 4.281 4.170 -0.000 0.000 0.296 178 I C 0.397 176.587 176.117 0.122 0.000 0.992 178 I CA -0.780 60.581 61.300 0.101 0.000 1.297 178 I CB 1.592 39.686 38.000 0.156 0.000 1.410 178 I HN -0.349 nan 8.210 nan 0.000 0.507 179 V N 7.002 127.000 119.914 0.141 0.000 2.370 179 V HA 0.476 4.596 4.120 -0.000 0.000 0.283 179 V C 0.063 176.301 176.094 0.239 0.000 1.023 179 V CA -0.477 61.933 62.300 0.184 0.000 0.857 179 V CB 1.601 33.556 31.823 0.220 0.000 0.985 179 V HN 0.416 nan 8.190 nan 0.000 0.443 180 I N 5.072 125.775 120.570 0.221 0.000 2.439 180 I HA 0.382 4.552 4.170 -0.000 0.000 0.283 180 I C -1.252 175.006 176.117 0.235 0.000 1.023 180 I CA -0.563 60.879 61.300 0.237 0.000 1.100 180 I CB 1.591 39.675 38.000 0.140 0.000 1.238 180 I HN 0.464 nan 8.210 nan 0.000 0.445 181 Y N 5.158 125.559 120.300 0.169 0.000 2.350 181 Y HA 0.288 4.838 4.550 -0.000 0.000 0.340 181 Y C 0.360 176.400 175.900 0.233 0.000 1.006 181 Y CA -0.475 57.720 58.100 0.159 0.000 1.166 181 Y CB 1.255 39.768 38.460 0.088 0.000 1.168 181 Y HN 0.482 nan 8.280 nan 0.000 0.502 182 Q N 3.299 123.256 119.800 0.261 0.000 2.341 182 Q HA 0.403 4.743 4.340 -0.000 0.000 0.268 182 Q C -1.987 174.170 176.000 0.261 0.000 1.013 182 Q CA -0.985 54.965 55.803 0.246 0.000 0.798 182 Q CB 1.579 30.392 28.738 0.124 0.000 1.253 182 Q HN 0.677 nan 8.270 nan 0.000 0.457 183 Y N 5.917 126.330 120.300 0.188 0.000 2.388 183 Y HA 0.344 4.894 4.550 -0.000 0.000 0.328 183 Y C 0.335 176.317 175.900 0.137 0.000 0.963 183 Y CA -0.454 57.721 58.100 0.125 0.000 1.240 183 Y CB 0.850 39.353 38.460 0.072 0.000 1.118 183 Y HN 0.960 nan 8.280 nan 0.000 0.484 184 M N 1.613 121.175 119.600 -0.063 0.000 7.319 184 M HA -0.364 4.116 4.480 -0.000 0.000 0.293 184 M C 0.940 177.510 176.300 0.450 0.000 0.480 184 M CA 2.546 57.929 55.300 0.138 0.000 1.311 184 M CB -1.488 31.108 32.600 -0.008 0.000 0.421 184 M HN 0.784 nan 8.290 nan 0.000 0.551 185 D N -0.180 120.409 120.400 0.314 0.000 2.369 185 D HA 0.210 4.850 4.640 -0.000 0.000 0.211 185 D C 0.097 176.548 176.300 0.251 0.000 1.077 185 D CA 0.315 54.547 54.000 0.388 0.000 0.842 185 D CB -0.454 40.483 40.800 0.230 0.000 0.947 185 D HN 0.555 nan 8.370 nan 0.000 0.509 186 D N 0.600 121.144 120.400 0.240 0.000 2.325 186 D HA 0.255 4.895 4.640 -0.000 0.000 0.251 186 D C -0.534 175.940 176.300 0.291 0.000 1.196 186 D CA -0.264 53.885 54.000 0.248 0.000 0.866 186 D CB 0.581 41.533 40.800 0.254 0.000 1.101 186 D HN 0.048 nan 8.370 nan 0.000 0.476 187 L N 4.302 125.670 121.223 0.241 0.000 2.322 187 L HA 0.370 4.710 4.340 -0.000 0.000 0.281 187 L C -1.019 175.983 176.870 0.219 0.000 1.014 187 L CA -1.287 53.684 54.840 0.219 0.000 0.815 187 L CB 1.263 43.389 42.059 0.112 0.000 1.247 187 L HN 0.478 nan 8.230 nan 0.000 0.421 188 Y N 4.073 124.422 120.300 0.082 0.000 2.345 188 Y HA 0.583 5.133 4.550 -0.000 0.000 0.331 188 Y C -1.111 174.739 175.900 -0.083 0.000 0.959 188 Y CA -0.945 57.084 58.100 -0.118 0.000 1.204 188 Y CB 1.337 39.566 38.460 -0.384 0.000 1.135 188 Y HN 0.225 nan 8.280 nan 0.000 0.477 189 V N 6.203 125.940 119.914 -0.296 0.000 2.334 189 V HA 0.748 4.868 4.120 -0.000 0.000 0.281 189 V C 0.282 176.212 176.094 -0.274 0.000 1.016 189 V CA -0.378 61.827 62.300 -0.159 0.000 0.832 189 V CB 1.130 32.894 31.823 -0.099 0.000 0.999 189 V HN 0.990 nan 8.190 nan 0.000 0.439 190 G N 2.989 111.695 108.800 -0.158 0.000 2.513 190 G HA2 0.751 4.711 3.960 -0.000 0.000 0.317 190 G HA3 0.751 4.711 3.960 -0.000 0.000 0.317 190 G C -0.494 174.454 174.900 0.081 0.000 1.277 190 G CA -0.188 44.845 45.100 -0.112 0.000 0.955 190 G HN 0.887 nan 8.290 nan 0.000 0.484 191 S N 0.138 115.918 115.700 0.133 0.000 2.720 191 S HA 0.586 5.056 4.470 -0.000 0.000 0.287 191 S C -0.884 173.752 174.600 0.061 0.000 1.168 191 S CA -0.809 57.467 58.200 0.126 0.000 0.832 191 S CB 2.455 65.779 63.200 0.207 0.000 1.166 191 S HN 0.279 nan 8.310 nan 0.000 0.493 192 D N 0.534 120.968 120.400 0.057 0.000 2.559 192 D HA 0.398 5.038 4.640 -0.000 0.000 0.234 192 D C 0.261 176.584 176.300 0.039 0.000 1.226 192 D CA -0.030 53.987 54.000 0.029 0.000 0.830 192 D CB 0.036 40.847 40.800 0.019 0.000 1.028 192 D HN 0.392 nan 8.370 nan 0.000 0.492 193 L N 0.100 121.367 121.223 0.074 0.000 2.600 193 L HA 0.249 4.589 4.340 -0.000 0.000 0.221 193 L C 1.062 177.966 176.870 0.057 0.000 1.197 193 L CA -0.638 54.247 54.840 0.075 0.000 0.838 193 L CB 0.540 42.668 42.059 0.115 0.000 1.474 193 L HN -0.212 nan 8.230 nan 0.000 0.514 194 E N 0.117 120.352 120.200 0.058 0.000 2.283 194 E HA 0.223 4.573 4.350 -0.000 0.000 0.271 194 E C 1.161 177.798 176.600 0.062 0.000 1.031 194 E CA -0.331 56.094 56.400 0.042 0.000 0.868 194 E CB 1.648 31.368 29.700 0.034 0.000 1.094 194 E HN 0.415 nan 8.360 nan 0.000 0.401 195 I N 1.237 121.828 120.570 0.034 0.000 2.141 195 I HA -0.390 3.780 4.170 -0.000 0.000 0.243 195 I C 2.061 178.238 176.117 0.100 0.000 1.035 195 I CA 2.056 63.384 61.300 0.046 0.000 1.302 195 I CB -0.568 37.448 38.000 0.027 0.000 1.006 195 I HN 0.632 nan 8.210 nan 0.000 0.413 196 G N -0.219 108.626 108.800 0.075 0.000 2.433 196 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 196 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 196 G C 1.513 176.465 174.900 0.086 0.000 1.186 196 G CA 0.530 45.674 45.100 0.074 0.000 0.779 196 G HN 0.462 nan 8.290 nan 0.000 0.543 197 Q N -0.566 119.283 119.800 0.082 0.000 2.152 197 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 197 Q C 2.211 178.271 176.000 0.101 0.000 0.985 197 Q CA 1.563 57.411 55.803 0.076 0.000 0.863 197 Q CB -0.299 28.478 28.738 0.065 0.000 0.904 197 Q HN 0.704 nan 8.270 nan 0.000 0.422 198 H N 1.073 120.163 119.070 0.033 0.000 2.254 198 H HA -0.114 4.442 4.556 -0.000 0.000 0.294 198 H C 2.029 177.387 175.328 0.049 0.000 1.071 198 H CA 1.998 58.069 56.048 0.038 0.000 1.228 198 H CB 0.131 29.911 29.762 0.030 0.000 1.358 198 H HN 0.028 nan 8.280 nan 0.000 0.495 199 R N -0.216 120.384 120.500 0.167 0.000 2.178 199 R HA -0.179 4.161 4.340 -0.000 0.000 0.257 199 R C 2.268 178.592 176.300 0.040 0.000 1.163 199 R CA 1.753 57.909 56.100 0.093 0.000 0.981 199 R CB -1.553 28.808 30.300 0.101 0.000 0.878 199 R HN 0.488 nan 8.270 nan 0.000 0.454 200 T N 1.951 116.530 114.554 0.042 0.000 2.595 200 T HA -0.116 4.234 4.350 -0.000 0.000 0.264 200 T C 1.824 176.548 174.700 0.039 0.000 1.058 200 T CA 1.230 63.352 62.100 0.037 0.000 1.166 200 T CB -0.070 68.819 68.868 0.036 0.000 0.863 200 T HN 0.150 nan 8.240 nan 0.000 0.415 201 K N 0.954 121.369 120.400 0.025 0.000 2.059 201 K HA -0.074 4.246 4.320 -0.000 0.000 0.212 201 K C 2.240 178.898 176.600 0.097 0.000 1.050 201 K CA 1.045 57.382 56.287 0.084 0.000 0.927 201 K CB -0.850 31.678 32.500 0.045 0.000 0.714 201 K HN 0.306 nan 8.250 nan 0.000 0.447 202 I N 1.857 122.400 120.570 -0.045 0.000 2.315 202 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 202 I C 2.062 178.182 176.117 0.004 0.000 1.125 202 I CA 1.429 62.692 61.300 -0.061 0.000 1.392 202 I CB -0.968 36.988 38.000 -0.074 0.000 1.065 202 I HN 0.188 nan 8.210 nan 0.000 0.424 203 E N 0.677 120.898 120.200 0.035 0.000 2.112 203 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 203 E C 2.100 178.748 176.600 0.079 0.000 0.979 203 E CA 0.705 57.133 56.400 0.047 0.000 0.814 203 E CB -0.058 29.669 29.700 0.045 0.000 0.762 203 E HN 0.566 nan 8.360 nan 0.000 0.460 204 E N 0.982 121.261 120.200 0.132 0.000 2.031 204 E HA -0.145 4.204 4.350 -0.000 0.000 0.193 204 E C 2.135 178.892 176.600 0.262 0.000 0.994 204 E CA 0.545 57.075 56.400 0.215 0.000 0.800 204 E CB -0.140 29.737 29.700 0.295 0.000 0.752 204 E HN 0.082 nan 8.360 nan 0.000 0.447 205 L N 1.526 122.859 121.223 0.185 0.000 1.956 205 L HA -0.250 4.090 4.340 -0.000 0.000 0.216 205 L C 2.521 179.365 176.870 -0.044 0.000 1.073 205 L CA 1.940 56.656 54.840 -0.207 0.000 0.762 205 L CB -0.647 41.054 42.059 -0.597 0.000 0.889 205 L HN 0.128 nan 8.230 nan 0.000 0.433 206 R N -0.743 119.739 120.500 -0.030 0.000 2.117 206 R HA -0.273 4.067 4.340 -0.000 0.000 0.243 206 R C 2.248 178.556 176.300 0.015 0.000 1.143 206 R CA 2.164 58.258 56.100 -0.009 0.000 0.968 206 R CB -0.062 30.237 30.300 -0.001 0.000 0.863 206 R HN 0.453 nan 8.270 nan 0.000 0.444 207 Q N -0.842 118.993 119.800 0.057 0.000 2.123 207 Q HA -0.144 4.196 4.340 -0.000 0.000 0.196 207 Q C 1.822 177.906 176.000 0.140 0.000 0.958 207 Q CA 1.823 57.667 55.803 0.068 0.000 0.841 207 Q CB -0.285 28.498 28.738 0.075 0.000 0.915 207 Q HN 0.470 nan 8.270 nan 0.000 0.455 208 H N 0.083 119.215 119.070 0.103 0.000 2.321 208 H HA -0.158 4.398 4.556 -0.000 0.000 0.295 208 H C 1.588 177.075 175.328 0.265 0.000 1.102 208 H CA 2.226 58.391 56.048 0.196 0.000 1.266 208 H CB -0.399 29.508 29.762 0.242 0.000 1.363 208 H HN 0.298 nan 8.280 nan 0.000 0.492 209 L N -0.742 120.479 121.223 -0.004 0.000 2.017 209 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 209 L C 2.614 179.531 176.870 0.078 0.000 1.073 209 L CA 1.138 55.962 54.840 -0.027 0.000 0.745 209 L CB -0.601 41.442 42.059 -0.026 0.000 0.894 209 L HN 0.284 nan 8.230 nan 0.000 0.432 210 L N 0.081 121.327 121.223 0.037 0.000 2.129 210 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 210 L C 2.636 179.508 176.870 0.003 0.000 1.087 210 L CA 1.749 56.591 54.840 0.003 0.000 0.757 210 L CB -0.553 41.472 42.059 -0.056 0.000 0.896 210 L HN 0.115 nan 8.230 nan 0.000 0.434 211 R N -2.207 118.283 120.500 -0.017 0.000 2.189 211 R HA -0.149 4.191 4.340 -0.000 0.000 0.218 211 R C 1.394 177.514 176.300 -0.300 0.000 1.074 211 R CA 1.473 57.476 56.100 -0.161 0.000 0.991 211 R CB -0.278 29.900 30.300 -0.203 0.000 0.883 211 R HN 0.470 nan 8.270 nan 0.000 0.457 212 W N -0.821 120.457 121.300 -0.038 0.000 3.278 212 W HA 0.236 4.896 4.660 -0.000 0.000 0.308 212 W C 1.184 177.704 176.519 0.003 0.000 1.253 212 W CA 0.500 57.822 57.345 -0.037 0.000 1.759 212 W CB 0.817 30.209 29.460 -0.114 0.000 1.093 212 W HN 0.240 nan 8.180 nan 0.000 0.648 213 G N -0.231 108.673 108.800 0.173 0.000 2.194 213 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.236 213 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.236 213 G C 0.100 175.127 174.900 0.212 0.000 0.987 213 G CA -0.348 44.860 45.100 0.180 0.000 0.635 213 G HN -0.000 nan 8.290 nan 0.000 0.520 214 L N 1.847 123.187 121.223 0.195 0.000 2.448 214 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 214 L C 0.932 177.913 176.870 0.186 0.000 1.201 214 L CA -0.438 54.517 54.840 0.191 0.000 1.036 214 L CB -1.437 40.697 42.059 0.125 0.000 1.325 214 L HN 0.314 nan 8.230 nan 0.000 0.441 215 Y N 2.445 122.810 120.300 0.107 0.000 2.607 215 Y HA -0.037 4.513 4.550 -0.000 0.000 0.348 215 Y C 0.727 176.679 175.900 0.086 0.000 1.261 215 Y CA 0.882 59.034 58.100 0.087 0.000 1.480 215 Y CB 0.752 39.262 38.460 0.085 0.000 1.358 215 Y HN 0.460 nan 8.280 nan 0.000 0.630 216 T N 6.549 121.183 114.554 0.135 0.000 3.209 216 T HA 0.214 4.564 4.350 -0.000 0.000 0.366 216 T C -2.691 172.121 174.700 0.187 0.000 1.293 216 T CA -1.134 61.055 62.100 0.148 0.000 1.417 216 T CB 0.449 69.344 68.868 0.045 0.000 1.013 216 T HN 0.417 nan 8.240 nan 0.000 0.572 217 P HA 0.110 nan 4.420 nan 0.000 0.269 217 P C -0.147 177.244 177.300 0.152 0.000 1.211 217 P CA -0.073 63.164 63.100 0.228 0.000 0.781 217 P CB 0.940 32.749 31.700 0.181 0.000 0.877 218 D N 1.054 121.530 120.400 0.127 0.000 2.395 218 D HA -0.005 4.635 4.640 -0.000 0.000 0.250 218 D C 0.165 176.527 176.300 0.103 0.000 1.203 218 D CA 0.704 54.766 54.000 0.103 0.000 0.872 218 D CB -0.100 40.750 40.800 0.082 0.000 0.941 218 D HN 0.298 nan 8.370 nan 0.000 0.504 219 Q N 0.804 120.675 119.800 0.119 0.000 2.923 219 Q HA 0.168 4.507 4.340 -0.000 0.000 0.363 219 Q C -0.692 175.418 176.000 0.184 0.000 1.159 219 Q CA -0.355 55.523 55.803 0.125 0.000 1.073 219 Q CB 0.404 29.206 28.738 0.107 0.000 1.364 219 Q HN 0.067 nan 8.270 nan 0.000 0.466 220 K N -1.964 118.561 120.400 0.208 0.000 2.513 220 K HA 0.362 4.682 4.320 -0.000 0.000 0.251 220 K C -1.050 175.760 176.600 0.350 0.000 0.939 220 K CA -0.562 55.900 56.287 0.293 0.000 0.793 220 K CB 0.778 33.399 32.500 0.201 0.000 1.241 220 K HN 0.159 nan 8.250 nan 0.000 0.431 221 H N 2.351 121.550 119.070 0.216 0.000 3.094 221 H HA -0.031 4.525 4.556 -0.000 0.000 0.320 221 H C -0.111 175.387 175.328 0.284 0.000 1.000 221 H CA 0.257 56.457 56.048 0.252 0.000 1.413 221 H CB 0.932 30.964 29.762 0.451 0.000 1.405 221 H HN 0.671 nan 8.280 nan 0.000 0.586 222 Q N 2.204 122.160 119.800 0.260 0.000 2.451 222 Q HA 0.042 4.382 4.340 -0.000 0.000 0.189 222 Q C 0.465 176.560 176.000 0.160 0.000 0.862 222 Q CA -0.180 55.750 55.803 0.212 0.000 0.786 222 Q CB 0.314 29.129 28.738 0.127 0.000 1.295 222 Q HN 0.243 nan 8.270 nan 0.000 0.580 223 K N 2.041 122.470 120.400 0.048 0.000 2.778 223 K HA 0.167 4.487 4.320 -0.000 0.000 0.238 223 K C -1.608 174.925 176.600 -0.112 0.000 1.233 223 K CA 0.120 56.403 56.287 -0.006 0.000 1.195 223 K CB -0.046 32.460 32.500 0.010 0.000 1.743 223 K HN 0.079 nan 8.250 nan 0.000 0.418 224 E N 1.075 121.099 120.200 -0.294 0.000 2.218 224 E HA 0.285 4.635 4.350 -0.000 0.000 0.263 224 E C -2.217 174.035 176.600 -0.580 0.000 0.879 224 E CA -2.148 54.028 56.400 -0.374 0.000 0.762 224 E CB 1.678 31.166 29.700 -0.354 0.000 1.166 224 E HN 0.062 nan 8.360 nan 0.000 0.415 225 P HA -0.043 nan 4.420 nan 0.000 0.215 225 P C -1.954 175.398 177.300 0.086 0.000 1.157 225 P CA 0.876 63.944 63.100 -0.054 0.000 0.863 225 P CB -0.598 31.109 31.700 0.011 0.000 0.787 226 P HA 0.054 nan 4.420 nan 0.000 0.268 226 P C -0.790 176.613 177.300 0.172 0.000 1.485 226 P CA 0.306 63.568 63.100 0.271 0.000 1.102 226 P CB -0.913 30.933 31.700 0.243 0.000 1.501 227 F N 2.797 122.945 119.950 0.331 0.000 2.424 227 F HA 0.224 4.751 4.527 -0.000 0.000 0.356 227 F C 0.863 176.885 175.800 0.369 0.000 1.110 227 F CA -0.298 57.946 58.000 0.406 0.000 1.161 227 F CB 0.570 39.722 39.000 0.252 0.000 1.115 227 F HN 0.057 nan 8.300 nan 0.000 0.507 228 L N 4.337 125.959 121.223 0.665 0.000 2.295 228 L HA 0.184 4.524 4.340 -0.000 0.000 0.288 228 L C -1.070 175.997 176.870 0.328 0.000 1.079 228 L CA -0.286 54.833 54.840 0.465 0.000 0.830 228 L CB 0.381 42.731 42.059 0.486 0.000 1.200 228 L HN 0.675 nan 8.230 nan 0.000 0.438 229 W N 6.454 127.853 121.300 0.164 0.000 2.900 229 W HA 0.379 5.039 4.660 -0.000 0.000 0.336 229 W C 0.012 176.623 176.519 0.153 0.000 1.064 229 W CA -0.817 56.592 57.345 0.106 0.000 1.237 229 W CB 1.243 30.762 29.460 0.098 0.000 1.391 229 W HN 0.335 nan 8.180 nan 0.000 0.468 230 M N 5.235 124.491 119.600 -0.575 0.000 2.436 230 M HA -0.219 4.261 4.480 -0.000 0.000 0.197 230 M C 1.069 177.117 176.300 -0.419 0.000 0.442 230 M CA 1.996 56.858 55.300 -0.729 0.000 0.473 230 M CB -2.308 29.422 32.600 -1.449 0.000 1.685 230 M HN 1.497 nan 8.290 nan 0.000 0.835 231 G N -1.410 107.244 108.800 -0.245 0.000 2.132 231 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.234 231 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.234 231 G C -0.353 174.394 174.900 -0.254 0.000 0.989 231 G CA 0.372 45.310 45.100 -0.271 0.000 0.676 231 G HN 0.599 nan 8.290 nan 0.000 0.522 232 Y N -0.620 119.779 120.300 0.165 0.000 2.665 232 Y HA 0.689 5.238 4.550 -0.000 0.000 0.336 232 Y C 0.336 176.398 175.900 0.270 0.000 1.085 232 Y CA -1.259 56.992 58.100 0.251 0.000 1.096 232 Y CB 1.199 39.806 38.460 0.245 0.000 1.301 232 Y HN 0.052 nan 8.280 nan 0.000 0.493 233 E N 1.863 122.330 120.200 0.446 0.000 2.145 233 E HA 0.382 4.732 4.350 -0.000 0.000 0.262 233 E C -1.486 175.223 176.600 0.182 0.000 0.883 233 E CA -0.374 56.170 56.400 0.241 0.000 0.748 233 E CB 1.339 31.083 29.700 0.072 0.000 1.140 233 E HN 0.380 nan 8.360 nan 0.000 0.417 234 L N 4.256 125.676 121.223 0.329 0.000 2.261 234 L HA 0.333 4.673 4.340 -0.000 0.000 0.289 234 L C 0.028 177.173 176.870 0.458 0.000 1.059 234 L CA -0.249 54.854 54.840 0.439 0.000 0.816 234 L CB 0.103 42.452 42.059 0.484 0.000 1.191 234 L HN 0.496 nan 8.230 nan 0.000 0.431 235 H N 3.831 123.193 119.070 0.487 0.000 2.525 235 H HA 0.215 4.771 4.556 -0.000 0.000 0.340 235 H C -1.361 174.224 175.328 0.429 0.000 1.168 235 H CA -1.905 54.362 56.048 0.365 0.000 1.247 235 H CB 1.482 31.391 29.762 0.245 0.000 1.568 235 H HN 0.377 nan 8.280 nan 0.000 0.536 236 P HA -0.269 nan 4.420 nan 0.000 0.218 236 P C 0.496 178.032 177.300 0.393 0.000 1.154 236 P CA 1.966 65.263 63.100 0.329 0.000 0.872 236 P CB 0.408 32.226 31.700 0.197 0.000 0.790 237 D N -2.625 117.994 120.400 0.365 0.000 2.455 237 D HA 0.132 4.772 4.640 -0.000 0.000 0.228 237 D C 0.660 177.073 176.300 0.188 0.000 1.070 237 D CA 0.394 54.577 54.000 0.305 0.000 0.881 237 D CB 0.239 41.148 40.800 0.182 0.000 1.087 237 D HN 0.120 nan 8.370 nan 0.000 0.498 238 K N -0.482 120.021 120.400 0.171 0.000 2.439 238 K HA 0.580 4.900 4.320 -0.000 0.000 0.260 238 K C -1.147 175.462 176.600 0.014 0.000 1.032 238 K CA -0.823 55.424 56.287 -0.066 0.000 0.882 238 K CB 2.316 34.834 32.500 0.030 0.000 1.420 238 K HN 0.145 nan 8.250 nan 0.000 0.455 239 W N -1.150 120.042 121.300 -0.181 0.000 3.042 239 W HA 0.785 5.445 4.660 -0.000 0.000 0.342 239 W C -1.190 175.306 176.519 -0.039 0.000 1.240 239 W CA -0.762 56.511 57.345 -0.120 0.000 1.166 239 W CB 1.099 30.467 29.460 -0.154 0.000 1.469 239 W HN 0.586 nan 8.180 nan 0.000 0.579 240 T N -0.163 114.528 114.554 0.228 0.000 2.733 240 T HA 0.409 4.759 4.350 -0.000 0.000 0.312 240 T C -0.819 174.179 174.700 0.496 0.000 1.590 240 T CA -0.195 61.946 62.100 0.068 0.000 1.005 240 T CB 0.853 69.662 68.868 -0.099 0.000 1.528 240 T HN 1.003 nan 8.240 nan 0.000 0.496 241 V N 1.444 121.577 119.914 0.364 0.000 2.963 241 V HA 0.453 4.573 4.120 -0.000 0.000 0.306 241 V C 0.539 176.810 176.094 0.295 0.000 1.077 241 V CA -0.400 62.107 62.300 0.344 0.000 1.124 241 V CB 0.028 31.980 31.823 0.216 0.000 0.987 241 V HN 0.940 nan 8.190 nan 0.000 0.487 242 Q N 2.313 122.277 119.800 0.274 0.000 2.354 242 Q HA 0.317 4.657 4.340 -0.000 0.000 0.244 242 Q C -2.248 173.867 176.000 0.193 0.000 0.969 242 Q CA -1.613 54.313 55.803 0.205 0.000 0.885 242 Q CB 0.282 29.105 28.738 0.141 0.000 1.241 242 Q HN 0.652 nan 8.270 nan 0.000 0.461 243 P HA -0.166 nan 4.420 nan 0.000 0.255 243 P C -1.006 176.371 177.300 0.128 0.000 1.141 243 P CA 0.660 63.836 63.100 0.126 0.000 0.767 243 P CB 0.064 31.815 31.700 0.086 0.000 0.726 244 I N 5.562 126.221 120.570 0.147 0.000 2.328 244 I HA 0.186 4.356 4.170 -0.000 0.000 0.287 244 I C -0.823 175.340 176.117 0.076 0.000 1.012 244 I CA -0.506 60.879 61.300 0.141 0.000 1.195 244 I CB 1.054 39.173 38.000 0.198 0.000 1.350 244 I HN -0.032 nan 8.210 nan 0.000 0.464 245 V N 8.759 128.707 119.914 0.056 0.000 2.275 245 V HA 0.297 4.416 4.120 -0.000 0.000 0.272 245 V C -0.038 176.081 176.094 0.042 0.000 1.028 245 V CA -0.739 61.584 62.300 0.039 0.000 0.810 245 V CB 0.926 32.766 31.823 0.029 0.000 1.043 245 V HN 0.493 nan 8.190 nan 0.000 0.453 246 L N 9.019 130.267 121.223 0.042 0.000 2.455 246 L HA 0.347 4.687 4.340 -0.000 0.000 0.272 246 L C -1.403 175.526 176.870 0.098 0.000 1.174 246 L CA -1.008 53.872 54.840 0.066 0.000 0.869 246 L CB 0.385 42.472 42.059 0.048 0.000 1.130 246 L HN 0.447 nan 8.230 nan 0.000 0.474 247 P HA 0.081 nan 4.420 nan 0.000 0.268 247 P C -1.002 176.418 177.300 0.199 0.000 1.205 247 P CA -0.372 62.818 63.100 0.149 0.000 0.771 247 P CB 0.853 32.670 31.700 0.195 0.000 0.858 248 E N 2.870 123.089 120.200 0.031 0.000 2.145 248 E HA 0.374 4.724 4.350 -0.000 0.000 0.262 248 E C -0.849 175.620 176.600 -0.219 0.000 0.883 248 E CA -0.628 55.770 56.400 -0.003 0.000 0.748 248 E CB 0.616 30.321 29.700 0.009 0.000 1.140 248 E HN 0.406 nan 8.360 nan 0.000 0.417 249 K N 2.838 122.972 120.400 -0.443 0.000 2.562 249 K HA 0.295 4.615 4.320 -0.000 0.000 0.267 249 K C -0.307 175.944 176.600 -0.582 0.000 0.938 249 K CA -0.776 55.135 56.287 -0.627 0.000 0.840 249 K CB 1.180 33.135 32.500 -0.909 0.000 1.390 249 K HN 0.262 nan 8.250 nan 0.000 0.428 250 D N 1.451 121.642 120.400 -0.348 0.000 2.088 250 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 250 D C 0.616 176.816 176.300 -0.166 0.000 0.983 250 D CA 1.487 55.388 54.000 -0.165 0.000 0.846 250 D CB -0.692 40.043 40.800 -0.109 0.000 0.992 250 D HN 0.566 nan 8.370 nan 0.000 0.448 251 S N -1.829 113.728 115.700 -0.238 0.000 2.608 251 S HA 0.565 5.035 4.470 -0.000 0.000 0.291 251 S C -1.045 173.388 174.600 -0.277 0.000 1.146 251 S CA -1.016 57.127 58.200 -0.096 0.000 1.043 251 S CB 1.019 64.198 63.200 -0.035 0.000 1.037 251 S HN 0.372 nan 8.310 nan 0.000 0.520 252 W N 0.451 121.746 121.300 -0.009 0.000 2.844 252 W HA 0.597 5.257 4.660 -0.000 0.000 0.340 252 W C 0.193 176.707 176.519 -0.009 0.000 1.093 252 W CA -0.675 56.664 57.345 -0.009 0.000 1.212 252 W CB 1.456 30.910 29.460 -0.010 0.000 1.422 252 W HN 0.886 nan 8.180 nan 0.000 0.515 253 T N -2.308 112.373 114.554 0.211 0.000 2.944 253 T HA 0.387 4.737 4.350 -0.000 0.000 0.284 253 T C 0.746 175.521 174.700 0.125 0.000 1.010 253 T CA -0.695 61.477 62.100 0.121 0.000 1.025 253 T CB 1.373 70.281 68.868 0.065 0.000 1.079 253 T HN 0.241 nan 8.240 nan 0.000 0.516 254 V N 1.884 121.843 119.914 0.075 0.000 2.222 254 V HA -0.281 3.839 4.120 -0.000 0.000 0.252 254 V C 3.002 179.130 176.094 0.057 0.000 1.060 254 V CA 2.557 64.888 62.300 0.053 0.000 1.027 254 V CB -1.042 30.799 31.823 0.031 0.000 0.644 254 V HN 1.066 nan 8.190 nan 0.000 0.448 255 N N 0.041 118.772 118.700 0.051 0.000 2.091 255 N HA -0.246 4.494 4.740 -0.000 0.000 0.193 255 N C 1.529 177.084 175.510 0.076 0.000 1.021 255 N CA 2.178 55.256 53.050 0.047 0.000 0.862 255 N CB -0.339 38.168 38.487 0.034 0.000 1.018 255 N HN 0.544 nan 8.380 nan 0.000 0.429 256 D N 0.704 121.180 120.400 0.126 0.000 2.149 256 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 256 D C 2.022 178.449 176.300 0.211 0.000 0.990 256 D CA 0.583 54.718 54.000 0.224 0.000 0.839 256 D CB -0.139 40.887 40.800 0.376 0.000 0.948 256 D HN 0.354 nan 8.370 nan 0.000 0.460 257 I N 1.018 121.659 120.570 0.118 0.000 2.315 257 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 257 I C 2.563 178.675 176.117 -0.008 0.000 1.117 257 I CA 0.372 61.666 61.300 -0.011 0.000 1.404 257 I CB -1.455 36.520 38.000 -0.040 0.000 1.071 257 I HN 0.094 nan 8.210 nan 0.000 0.419 258 C N 1.532 120.844 119.300 0.020 0.000 2.440 258 C HA -0.181 4.279 4.460 -0.000 0.000 0.282 258 C C 2.771 177.772 174.990 0.019 0.000 1.223 258 C CA 0.656 59.682 59.018 0.014 0.000 1.744 258 C CB -1.115 26.636 27.740 0.018 0.000 2.061 258 C HN 0.476 nan 8.230 nan 0.000 0.456 259 K N 0.518 120.939 120.400 0.035 0.000 2.163 259 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 259 K C 1.765 178.389 176.600 0.039 0.000 1.048 259 K CA 1.656 57.965 56.287 0.036 0.000 0.928 259 K CB -0.605 31.929 32.500 0.056 0.000 0.716 259 K HN 0.404 nan 8.250 nan 0.000 0.459 260 L N 1.019 122.266 121.223 0.041 0.000 1.948 260 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 260 L C 2.170 179.036 176.870 -0.007 0.000 1.074 260 L CA 1.540 56.384 54.840 0.006 0.000 0.753 260 L CB -0.560 41.445 42.059 -0.090 0.000 0.888 260 L HN -0.081 nan 8.230 nan 0.000 0.432 261 V N 0.479 120.379 119.914 -0.024 0.000 2.380 261 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 261 V C 2.583 178.694 176.094 0.029 0.000 1.063 261 V CA 1.808 64.102 62.300 -0.010 0.000 1.055 261 V CB -1.750 30.062 31.823 -0.018 0.000 0.657 261 V HN 0.703 nan 8.190 nan 0.000 0.455 262 G N -0.639 108.180 108.800 0.033 0.000 2.408 262 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 262 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 262 G C 1.631 176.587 174.900 0.092 0.000 1.150 262 G CA 1.012 46.143 45.100 0.052 0.000 0.776 262 G HN 0.436 nan 8.290 nan 0.000 0.542 263 K N -0.169 120.275 120.400 0.074 0.000 1.984 263 K HA 0.104 4.424 4.320 -0.000 0.000 0.209 263 K C 2.480 179.179 176.600 0.164 0.000 1.046 263 K CA 0.513 56.868 56.287 0.114 0.000 0.934 263 K CB -0.472 32.069 32.500 0.069 0.000 0.717 263 K HN 0.105 nan 8.250 nan 0.000 0.438 264 L N 1.633 122.907 121.223 0.084 0.000 2.081 264 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 264 L C 1.953 178.875 176.870 0.087 0.000 1.080 264 L CA 1.674 56.548 54.840 0.056 0.000 0.754 264 L CB -1.411 40.649 42.059 0.002 0.000 0.893 264 L HN 0.358 nan 8.230 nan 0.000 0.433 265 N N -0.821 117.944 118.700 0.108 0.000 2.244 265 N HA -0.221 4.519 4.740 -0.000 0.000 0.183 265 N C 1.712 177.323 175.510 0.168 0.000 1.016 265 N CA 0.832 53.952 53.050 0.116 0.000 0.866 265 N CB -0.160 38.392 38.487 0.109 0.000 0.980 265 N HN 0.544 nan 8.380 nan 0.000 0.430 266 W N 1.651 122.972 121.300 0.035 0.000 2.595 266 W HA 0.034 4.694 4.660 -0.000 0.000 0.257 266 W C 1.213 177.788 176.519 0.094 0.000 1.267 266 W CA 1.017 58.386 57.345 0.041 0.000 1.300 266 W CB -0.007 29.452 29.460 -0.002 0.000 1.120 266 W HN -0.028 nan 8.180 nan 0.000 0.618 267 A N 0.135 122.981 122.820 0.043 0.000 2.081 267 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 267 A C 1.946 179.580 177.584 0.084 0.000 1.158 267 A CA 1.077 53.150 52.037 0.060 0.000 0.724 267 A CB -0.759 18.316 19.000 0.125 0.000 0.826 267 A HN 0.158 nan 8.150 nan 0.000 0.463 268 S N 0.258 115.982 115.700 0.039 0.000 2.500 268 S HA -0.183 4.287 4.470 -0.000 0.000 0.239 268 S C 1.815 176.412 174.600 -0.005 0.000 0.989 268 S CA 1.075 59.289 58.200 0.024 0.000 0.951 268 S CB -0.271 62.938 63.200 0.016 0.000 0.759 268 S HN 0.684 nan 8.310 nan 0.000 0.523 269 Q N -0.210 119.573 119.800 -0.028 0.000 2.077 269 Q HA -0.113 4.227 4.340 -0.000 0.000 0.206 269 Q C 1.842 177.896 176.000 0.091 0.000 0.989 269 Q CA 1.508 57.333 55.803 0.038 0.000 0.853 269 Q CB -0.071 28.639 28.738 -0.047 0.000 0.907 269 Q HN 0.523 nan 8.270 nan 0.000 0.418 270 I N -2.353 118.214 120.570 -0.005 0.000 4.607 270 I HA 0.026 4.196 4.170 -0.000 0.000 0.324 270 I C -0.586 175.407 176.117 -0.207 0.000 1.279 270 I CA -0.070 61.145 61.300 -0.142 0.000 1.286 270 I CB 0.820 38.604 38.000 -0.361 0.000 1.265 270 I HN -0.059 nan 8.210 nan 0.000 0.446 271 Y N 5.361 125.619 120.300 -0.070 0.000 2.640 271 Y HA 0.283 4.833 4.550 -0.000 0.000 0.355 271 Y C -1.929 173.936 175.900 -0.057 0.000 1.088 271 Y CA -2.773 55.292 58.100 -0.058 0.000 1.443 271 Y CB -0.610 37.825 38.460 -0.042 0.000 1.224 271 Y HN 0.114 nan 8.280 nan 0.000 0.516 272 P HA 0.019 nan 4.420 nan 0.000 0.269 272 P C 0.878 178.201 177.300 0.037 0.000 1.217 272 P CA 0.887 64.000 63.100 0.021 0.000 0.783 272 P CB 1.055 32.757 31.700 0.003 0.000 0.898 273 G N 1.545 110.351 108.800 0.009 0.000 2.196 273 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.268 273 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.268 273 G C 0.375 175.275 174.900 0.001 0.000 0.975 273 G CA -0.046 45.058 45.100 0.006 0.000 0.648 273 G HN 0.544 nan 8.290 nan 0.000 0.538 274 I N 0.711 121.285 120.570 0.008 0.000 2.618 274 I HA 0.195 4.365 4.170 -0.000 0.000 0.284 274 I C 0.643 176.754 176.117 -0.011 0.000 1.146 274 I CA 0.743 62.041 61.300 -0.004 0.000 1.425 274 I CB 0.596 38.600 38.000 0.007 0.000 1.383 274 I HN 0.060 nan 8.210 nan 0.000 0.562 275 K N 5.304 125.690 120.400 -0.023 0.000 2.378 275 K HA 0.440 4.760 4.320 -0.000 0.000 0.252 275 K C -0.003 176.575 176.600 -0.037 0.000 0.931 275 K CA -0.588 55.683 56.287 -0.027 0.000 0.794 275 K CB 2.607 35.086 32.500 -0.036 0.000 1.181 275 K HN 0.470 nan 8.250 nan 0.000 0.425 276 V N -0.919 118.976 119.914 -0.032 0.000 3.330 276 V HA 0.202 4.321 4.120 -0.000 0.000 0.309 276 V C 1.522 177.588 176.094 -0.046 0.000 1.481 276 V CA -0.274 62.001 62.300 -0.043 0.000 1.068 276 V CB 0.331 32.137 31.823 -0.028 0.000 0.935 276 V HN 0.637 nan 8.190 nan 0.000 0.453 277 R N 1.686 122.160 120.500 -0.044 0.000 2.171 277 R HA -0.193 4.147 4.340 -0.000 0.000 0.232 277 R C 2.343 178.613 176.300 -0.051 0.000 1.116 277 R CA 2.863 58.935 56.100 -0.046 0.000 0.901 277 R CB -0.667 29.602 30.300 -0.052 0.000 0.850 277 R HN 0.542 nan 8.270 nan 0.000 0.431 278 Q N 0.234 119.999 119.800 -0.058 0.000 2.045 278 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 278 Q C 2.408 178.365 176.000 -0.071 0.000 0.991 278 Q CA 1.911 57.677 55.803 -0.061 0.000 0.851 278 Q CB -0.680 28.020 28.738 -0.064 0.000 0.911 278 Q HN 0.449 nan 8.270 nan 0.000 0.418 279 L N 0.660 121.831 121.223 -0.088 0.000 2.089 279 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 279 L C 2.364 179.183 176.870 -0.086 0.000 1.079 279 L CA 1.323 56.095 54.840 -0.112 0.000 0.758 279 L CB -0.329 41.650 42.059 -0.134 0.000 0.891 279 L HN 0.154 nan 8.230 nan 0.000 0.433 280 S N -0.908 114.755 115.700 -0.062 0.000 2.402 280 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 280 S C 1.820 176.398 174.600 -0.037 0.000 1.021 280 S CA 0.885 59.059 58.200 -0.043 0.000 0.974 280 S CB -0.050 63.132 63.200 -0.031 0.000 0.800 280 S HN 0.372 nan 8.310 nan 0.000 0.484 281 K N 0.692 121.068 120.400 -0.040 0.000 2.209 281 K HA -0.009 4.311 4.320 -0.000 0.000 0.204 281 K C 1.551 178.133 176.600 -0.030 0.000 1.048 281 K CA 0.699 56.967 56.287 -0.032 0.000 0.940 281 K CB -0.278 32.201 32.500 -0.034 0.000 0.729 281 K HN 0.196 nan 8.250 nan 0.000 0.451 282 L N 0.306 121.505 121.223 -0.039 0.000 2.127 282 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 282 L C 1.415 178.273 176.870 -0.020 0.000 1.089 282 L CA 1.526 56.346 54.840 -0.034 0.000 0.757 282 L CB -0.431 41.597 42.059 -0.052 0.000 0.899 282 L HN 0.100 nan 8.230 nan 0.000 0.434 283 L N -1.476 119.736 121.223 -0.020 0.000 2.688 283 L HA 0.174 4.514 4.340 -0.000 0.000 0.234 283 L C 0.838 177.704 176.870 -0.007 0.000 1.192 283 L CA 0.135 54.970 54.840 -0.009 0.000 0.984 283 L CB -0.819 41.235 42.059 -0.008 0.000 1.232 283 L HN -0.027 nan 8.230 nan 0.000 0.465 284 R N 0.887 121.381 120.500 -0.009 0.000 2.594 284 R HA 0.516 4.856 4.340 -0.000 0.000 0.272 284 R C 0.715 177.013 176.300 -0.003 0.000 1.074 284 R CA 0.375 56.472 56.100 -0.006 0.000 1.105 284 R CB 0.487 30.782 30.300 -0.009 0.000 1.008 284 R HN 0.336 nan 8.270 nan 0.000 0.472 285 G N 1.161 109.961 108.800 -0.001 0.000 2.801 285 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.686 285 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.686 285 G C -0.165 174.737 174.900 0.002 0.000 1.507 285 G CA -0.385 44.716 45.100 0.001 0.000 0.980 285 G HN 0.774 nan 8.290 nan 0.000 0.589 286 T N 0.141 114.697 114.554 0.003 0.000 2.819 286 T HA 0.425 4.775 4.350 -0.000 0.000 0.282 286 T C 0.344 175.046 174.700 0.004 0.000 1.013 286 T CA 0.751 62.853 62.100 0.003 0.000 1.159 286 T CB 1.032 69.902 68.868 0.003 0.000 1.007 286 T HN 0.793 nan 8.240 nan 0.000 0.514 287 K N 1.191 121.594 120.400 0.005 0.000 2.175 287 K HA 0.845 5.165 4.320 -0.000 0.000 0.257 287 K C -0.963 175.641 176.600 0.006 0.000 1.026 287 K CA -0.913 55.377 56.287 0.006 0.000 0.866 287 K CB 2.033 34.538 32.500 0.008 0.000 1.474 287 K HN 0.814 nan 8.250 nan 0.000 0.442 288 A N 0.683 123.508 122.820 0.008 0.000 2.486 288 A HA 0.476 4.796 4.320 -0.000 0.000 0.300 288 A C 0.813 178.404 177.584 0.011 0.000 1.048 288 A CA -0.601 51.440 52.037 0.007 0.000 0.696 288 A CB 0.704 19.706 19.000 0.005 0.000 1.278 288 A HN 0.583 nan 8.150 nan 0.000 0.405 289 L N 1.023 122.252 121.223 0.009 0.000 2.051 289 L HA -0.264 4.076 4.340 -0.000 0.000 0.214 289 L C 2.894 179.775 176.870 0.018 0.000 1.076 289 L CA 2.411 57.259 54.840 0.014 0.000 0.758 289 L CB -0.720 41.343 42.059 0.007 0.000 0.890 289 L HN 0.993 nan 8.230 nan 0.000 0.433 290 T N -3.294 111.266 114.554 0.011 0.000 2.770 290 T HA -0.110 4.240 4.350 -0.000 0.000 0.263 290 T C 0.766 175.476 174.700 0.016 0.000 1.039 290 T CA -0.021 62.085 62.100 0.010 0.000 1.142 290 T CB -0.544 68.326 68.868 0.002 0.000 0.868 290 T HN 0.288 nan 8.240 nan 0.000 0.435 291 E N 1.141 121.350 120.200 0.015 0.000 2.892 291 E HA 0.054 4.404 4.350 -0.000 0.000 0.273 291 E C -0.850 175.769 176.600 0.031 0.000 0.921 291 E CA -0.077 56.334 56.400 0.019 0.000 0.968 291 E CB 0.383 30.093 29.700 0.017 0.000 0.941 291 E HN 0.181 nan 8.360 nan 0.000 0.492 292 V N 5.691 125.625 119.914 0.032 0.000 2.270 292 V HA 0.116 4.236 4.120 -0.000 0.000 0.263 292 V C 0.099 176.228 176.094 0.057 0.000 1.066 292 V CA -0.421 61.908 62.300 0.049 0.000 0.857 292 V CB 0.188 32.033 31.823 0.037 0.000 1.099 292 V HN 0.470 nan 8.190 nan 0.000 0.476 293 I N 8.753 129.365 120.570 0.069 0.000 2.575 293 I HA 0.471 4.641 4.170 -0.000 0.000 0.285 293 I C -1.989 174.176 176.117 0.080 0.000 1.085 293 I CA -1.728 59.606 61.300 0.057 0.000 1.403 293 I CB 1.409 39.432 38.000 0.038 0.000 1.409 293 I HN 0.395 nan 8.210 nan 0.000 0.557 294 P HA 0.199 nan 4.420 nan 0.000 0.296 294 P C -1.090 176.231 177.300 0.034 0.000 1.306 294 P CA -0.597 62.542 63.100 0.065 0.000 0.818 294 P CB 1.203 32.930 31.700 0.044 0.000 0.969 295 L N 3.980 125.228 121.223 0.041 0.000 2.565 295 L HA 0.101 4.441 4.340 -0.000 0.000 0.275 295 L C 1.864 178.722 176.870 -0.019 0.000 1.137 295 L CA 0.765 55.586 54.840 -0.032 0.000 0.915 295 L CB -0.720 41.297 42.059 -0.070 0.000 1.232 295 L HN 0.523 nan 8.230 nan 0.000 0.473 296 T N -0.097 114.438 114.554 -0.032 0.000 2.625 296 T HA 0.029 4.379 4.350 -0.000 0.000 0.357 296 T C 1.228 175.912 174.700 -0.027 0.000 1.053 296 T CA -0.280 61.805 62.100 -0.024 0.000 1.037 296 T CB 0.581 69.431 68.868 -0.029 0.000 1.123 296 T HN 0.568 nan 8.240 nan 0.000 0.520 297 E N 0.839 121.026 120.200 -0.023 0.000 2.000 297 E HA -0.153 4.197 4.350 -0.000 0.000 0.199 297 E C 2.160 178.740 176.600 -0.033 0.000 1.011 297 E CA 1.767 58.154 56.400 -0.022 0.000 0.836 297 E CB -0.681 29.007 29.700 -0.020 0.000 0.778 297 E HN 0.740 nan 8.360 nan 0.000 0.462 298 E N 1.108 121.285 120.200 -0.038 0.000 2.072 298 E HA -0.259 4.091 4.350 -0.000 0.000 0.218 298 E C 1.974 178.538 176.600 -0.060 0.000 1.051 298 E CA 1.803 58.175 56.400 -0.047 0.000 0.880 298 E CB -0.831 28.840 29.700 -0.048 0.000 0.783 298 E HN 0.365 nan 8.360 nan 0.000 0.473 299 A N 1.260 124.036 122.820 -0.074 0.000 1.896 299 A HA -0.345 3.975 4.320 -0.000 0.000 0.220 299 A C 2.115 179.632 177.584 -0.113 0.000 1.206 299 A CA 2.223 54.195 52.037 -0.108 0.000 0.647 299 A CB -0.732 18.191 19.000 -0.129 0.000 0.828 299 A HN 0.200 nan 8.150 nan 0.000 0.455 300 E N -0.818 119.331 120.200 -0.084 0.000 2.097 300 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 300 E C 2.006 178.577 176.600 -0.048 0.000 1.000 300 E CA 1.498 57.863 56.400 -0.059 0.000 0.804 300 E CB -0.527 29.160 29.700 -0.021 0.000 0.740 300 E HN 0.562 nan 8.360 nan 0.000 0.454 301 L N 1.416 122.612 121.223 -0.044 0.000 2.005 301 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 301 L C 2.318 179.159 176.870 -0.047 0.000 1.072 301 L CA 2.030 56.847 54.840 -0.038 0.000 0.744 301 L CB -0.619 41.420 42.059 -0.033 0.000 0.895 301 L HN 0.075 nan 8.230 nan 0.000 0.433 302 E N -0.517 119.646 120.200 -0.060 0.000 2.021 302 E HA -0.271 4.079 4.350 -0.000 0.000 0.200 302 E C 2.223 178.778 176.600 -0.075 0.000 1.015 302 E CA 1.728 58.088 56.400 -0.066 0.000 0.824 302 E CB -0.436 29.218 29.700 -0.076 0.000 0.762 302 E HN 0.445 nan 8.360 nan 0.000 0.454 303 L N 0.689 121.851 121.223 -0.102 0.000 2.137 303 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 303 L C 2.185 179.013 176.870 -0.070 0.000 1.085 303 L CA 2.248 57.019 54.840 -0.115 0.000 0.760 303 L CB -1.243 40.709 42.059 -0.179 0.000 0.893 303 L HN 0.282 nan 8.230 nan 0.000 0.434 304 A N 0.007 122.797 122.820 -0.051 0.000 1.832 304 A HA -0.205 4.115 4.320 -0.000 0.000 0.214 304 A C 2.004 179.570 177.584 -0.031 0.000 1.204 304 A CA 1.387 53.406 52.037 -0.029 0.000 0.606 304 A CB -0.573 18.415 19.000 -0.019 0.000 0.849 304 A HN 0.576 nan 8.150 nan 0.000 0.445 305 E N -0.292 119.887 120.200 -0.033 0.000 2.118 305 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 305 E C 1.766 178.344 176.600 -0.037 0.000 0.992 305 E CA 1.341 57.723 56.400 -0.030 0.000 0.804 305 E CB -0.262 29.420 29.700 -0.030 0.000 0.741 305 E HN 0.607 nan 8.360 nan 0.000 0.458 306 N N 0.389 119.060 118.700 -0.049 0.000 2.396 306 N HA -0.070 4.670 4.740 -0.000 0.000 0.180 306 N C 1.571 177.035 175.510 -0.077 0.000 1.028 306 N CA 0.564 53.578 53.050 -0.061 0.000 0.893 306 N CB 0.133 38.580 38.487 -0.067 0.000 0.967 306 N HN -0.012 nan 8.380 nan 0.000 0.440 307 R N 0.011 120.474 120.500 -0.062 0.000 2.161 307 R HA 0.113 4.453 4.340 -0.000 0.000 0.213 307 R C 0.801 177.067 176.300 -0.056 0.000 1.055 307 R CA 0.678 56.743 56.100 -0.059 0.000 0.996 307 R CB 0.256 30.538 30.300 -0.029 0.000 0.901 307 R HN 0.121 nan 8.270 nan 0.000 0.456 308 E N 0.259 120.434 120.200 -0.041 0.000 2.482 308 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 308 E C 1.562 178.145 176.600 -0.029 0.000 1.047 308 E CA 0.570 56.954 56.400 -0.027 0.000 0.869 308 E CB 0.273 29.964 29.700 -0.015 0.000 0.836 308 E HN 0.472 nan 8.360 nan 0.000 0.520 309 I N 0.043 120.581 120.570 -0.053 0.000 2.585 309 I HA -0.111 4.059 4.170 -0.000 0.000 0.254 309 I C 1.890 177.946 176.117 -0.102 0.000 1.129 309 I CA 0.449 61.726 61.300 -0.038 0.000 1.455 309 I CB -0.030 37.949 38.000 -0.034 0.000 1.111 309 I HN 0.000 nan 8.210 nan 0.000 0.433 310 L N 0.849 121.916 121.223 -0.259 0.000 2.622 310 L HA -0.053 4.287 4.340 -0.000 0.000 0.233 310 L C 2.220 179.010 176.870 -0.134 0.000 1.156 310 L CA 0.279 54.855 54.840 -0.440 0.000 0.866 310 L CB -0.521 41.283 42.059 -0.425 0.000 0.980 310 L HN 0.195 nan 8.230 nan 0.000 0.448 311 K N 1.217 121.590 120.400 -0.045 0.000 1.965 311 K HA -0.034 4.286 4.320 -0.000 0.000 0.214 311 K C 0.526 177.157 176.600 0.052 0.000 1.042 311 K CA 1.038 57.328 56.287 0.005 0.000 0.950 311 K CB -0.253 32.250 32.500 0.006 0.000 0.733 311 K HN 0.354 nan 8.250 nan 0.000 0.441 312 E N 3.579 123.823 120.200 0.073 0.000 2.003 312 E HA 0.106 4.456 4.350 -0.000 0.000 0.279 312 E C -2.157 174.539 176.600 0.159 0.000 1.132 312 E CA -1.613 54.838 56.400 0.084 0.000 0.888 312 E CB 0.324 30.060 29.700 0.059 0.000 1.056 312 E HN 0.217 nan 8.360 nan 0.000 0.399 313 P HA -0.068 nan 4.420 nan 0.000 0.268 313 P C -0.149 177.123 177.300 -0.046 0.000 1.208 313 P CA 0.013 63.209 63.100 0.160 0.000 0.777 313 P CB 0.823 32.583 31.700 0.101 0.000 0.875 314 V N -0.372 119.377 119.914 -0.274 0.000 3.166 314 V HA 0.759 4.879 4.120 -0.000 0.000 0.317 314 V C -0.256 175.658 176.094 -0.300 0.000 1.136 314 V CA -0.870 61.238 62.300 -0.320 0.000 1.035 314 V CB 1.532 33.082 31.823 -0.455 0.000 1.110 314 V HN 0.918 nan 8.190 nan 0.000 0.450 315 H N -0.875 117.919 119.070 -0.460 0.000 2.980 315 H HA 0.876 5.432 4.556 -0.000 0.000 0.367 315 H C -0.378 174.468 175.328 -0.804 0.000 1.206 315 H CA -0.838 54.856 56.048 -0.590 0.000 1.126 315 H CB 2.270 31.833 29.762 -0.332 0.000 1.838 315 H HN 1.070 nan 8.280 nan 0.000 0.552 316 G N 0.681 108.668 108.800 -1.355 0.000 2.448 316 G HA2 0.447 4.407 3.960 -0.000 0.000 0.324 316 G HA3 0.447 4.407 3.960 -0.000 0.000 0.324 316 G C -1.159 173.285 174.900 -0.759 0.000 1.203 316 G CA -0.707 43.672 45.100 -1.202 0.000 0.954 316 G HN 0.534 nan 8.290 nan 0.000 0.480 317 V N 1.929 121.661 119.914 -0.303 0.000 2.617 317 V HA 0.603 4.723 4.120 -0.000 0.000 0.298 317 V C -0.448 175.702 176.094 0.093 0.000 1.048 317 V CA -0.879 61.327 62.300 -0.156 0.000 0.964 317 V CB 0.856 32.610 31.823 -0.115 0.000 1.004 317 V HN 0.596 nan 8.190 nan 0.000 0.466 318 Y N 4.093 124.541 120.300 0.247 0.000 2.220 318 Y HA 0.260 4.810 4.550 -0.000 0.000 0.347 318 Y C -0.004 176.044 175.900 0.247 0.000 1.311 318 Y CA 0.218 58.464 58.100 0.244 0.000 1.593 318 Y CB 0.137 38.694 38.460 0.162 0.000 1.419 318 Y HN 0.672 nan 8.280 nan 0.000 0.614 319 Y N 1.564 122.056 120.300 0.320 0.000 2.313 319 Y HA 0.285 4.835 4.550 -0.000 0.000 0.332 319 Y C -0.859 175.118 175.900 0.127 0.000 1.071 319 Y CA -1.687 56.537 58.100 0.207 0.000 1.169 319 Y CB 0.705 39.353 38.460 0.313 0.000 1.192 319 Y HN 0.530 nan 8.280 nan 0.000 0.487 320 D N 8.578 128.726 120.400 -0.421 0.000 2.453 320 D HA 0.348 4.988 4.640 -0.000 0.000 0.238 320 D C -2.128 173.718 176.300 -0.757 0.000 1.088 320 D CA -2.524 51.190 54.000 -0.478 0.000 0.854 320 D CB 1.697 42.390 40.800 -0.179 0.000 1.076 320 D HN 0.336 nan 8.370 nan 0.000 0.533 321 P HA -0.048 nan 4.420 nan 0.000 0.234 321 P C 0.551 177.719 177.300 -0.221 0.000 1.167 321 P CA 0.371 63.148 63.100 -0.539 0.000 0.763 321 P CB 0.349 31.889 31.700 -0.266 0.000 0.835 322 S N -0.467 115.114 115.700 -0.198 0.000 2.603 322 S HA 0.041 4.511 4.470 -0.000 0.000 0.220 322 S C 0.644 175.196 174.600 -0.080 0.000 0.967 322 S CA 0.189 58.326 58.200 -0.105 0.000 0.920 322 S CB -0.372 62.776 63.200 -0.085 0.000 0.773 322 S HN 0.408 nan 8.310 nan 0.000 0.529 323 K N 1.539 121.883 120.400 -0.093 0.000 2.561 323 K HA 0.320 4.639 4.320 -0.000 0.000 0.254 323 K C -2.044 174.521 176.600 -0.058 0.000 0.942 323 K CA -1.008 55.242 56.287 -0.062 0.000 0.818 323 K CB 0.946 33.416 32.500 -0.050 0.000 1.306 323 K HN -0.042 nan 8.250 nan 0.000 0.435 324 D N 1.762 122.130 120.400 -0.053 0.000 2.390 324 D HA 0.114 4.754 4.640 -0.000 0.000 0.236 324 D C -0.144 176.085 176.300 -0.118 0.000 1.189 324 D CA -0.254 53.703 54.000 -0.073 0.000 0.887 324 D CB 0.370 41.123 40.800 -0.078 0.000 1.198 324 D HN 0.247 nan 8.370 nan 0.000 0.444 325 L N -0.078 121.024 121.223 -0.202 0.000 2.416 325 L HA 0.483 4.823 4.340 -0.000 0.000 0.262 325 L C -0.138 176.509 176.870 -0.372 0.000 1.093 325 L CA -0.597 54.047 54.840 -0.327 0.000 0.801 325 L CB 0.603 42.336 42.059 -0.544 0.000 1.191 325 L HN 0.416 nan 8.230 nan 0.000 0.459 326 I N 0.783 121.062 120.570 -0.485 0.000 2.533 326 I HA 0.670 4.840 4.170 -0.000 0.000 0.290 326 I C -0.522 175.131 176.117 -0.773 0.000 1.056 326 I CA -0.377 60.560 61.300 -0.606 0.000 1.057 326 I CB 1.978 39.627 38.000 -0.585 0.000 1.240 326 I HN 0.569 nan 8.210 nan 0.000 0.423 327 A N 4.984 127.442 122.820 -0.603 0.000 2.319 327 A HA 0.774 5.094 4.320 -0.000 0.000 0.310 327 A C -0.696 176.826 177.584 -0.104 0.000 1.152 327 A CA -0.497 51.318 52.037 -0.370 0.000 0.783 327 A CB 0.986 19.789 19.000 -0.329 0.000 1.184 327 A HN 0.698 nan 8.150 nan 0.000 0.474 328 E N 2.364 122.552 120.200 -0.019 0.000 2.199 328 E HA 0.703 5.053 4.350 -0.000 0.000 0.269 328 E C -1.338 175.382 176.600 0.199 0.000 0.899 328 E CA -0.462 56.005 56.400 0.113 0.000 0.772 328 E CB 1.310 31.104 29.700 0.156 0.000 1.155 328 E HN 0.655 nan 8.360 nan 0.000 0.408 329 I N 2.584 123.269 120.570 0.191 0.000 2.689 329 I HA 0.340 4.510 4.170 -0.000 0.000 0.299 329 I C -0.835 175.437 176.117 0.259 0.000 1.059 329 I CA -0.856 60.593 61.300 0.249 0.000 1.055 329 I CB 2.177 40.282 38.000 0.176 0.000 1.243 329 I HN 0.480 nan 8.210 nan 0.000 0.425 330 Q N 2.803 122.789 119.800 0.309 0.000 2.456 330 Q HA 0.393 4.733 4.340 -0.000 0.000 0.283 330 Q C -1.011 175.110 176.000 0.203 0.000 1.084 330 Q CA -0.984 54.960 55.803 0.235 0.000 0.801 330 Q CB 2.383 31.197 28.738 0.127 0.000 1.434 330 Q HN 0.329 nan 8.270 nan 0.000 0.419 331 K N 1.948 122.316 120.400 -0.053 0.000 2.262 331 K HA 0.066 4.386 4.320 -0.000 0.000 0.288 331 K C 0.363 176.754 176.600 -0.348 0.000 1.090 331 K CA -0.030 55.922 56.287 -0.558 0.000 0.918 331 K CB 0.499 32.613 32.500 -0.644 0.000 1.139 331 K HN 0.555 nan 8.250 nan 0.000 0.462 332 Q N 1.678 121.289 119.800 -0.316 0.000 1.967 332 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 332 Q C 0.849 176.731 176.000 -0.196 0.000 0.985 332 Q CA 1.583 57.277 55.803 -0.181 0.000 0.839 332 Q CB 0.026 28.693 28.738 -0.119 0.000 0.906 332 Q HN 0.835 nan 8.270 nan 0.000 0.423 333 G N -0.930 107.714 108.800 -0.260 0.000 2.721 333 G HA2 0.322 4.282 3.960 -0.000 0.000 0.296 333 G HA3 0.322 4.282 3.960 -0.000 0.000 0.296 333 G C -1.343 173.404 174.900 -0.256 0.000 1.383 333 G CA -0.726 44.252 45.100 -0.203 0.000 0.788 333 G HN -0.091 nan 8.290 nan 0.000 0.500 334 Q N 0.351 120.043 119.800 -0.180 0.000 2.242 334 Q HA 0.334 4.674 4.340 -0.000 0.000 0.284 334 Q C 1.296 177.202 176.000 -0.157 0.000 1.130 334 Q CA 1.345 57.050 55.803 -0.164 0.000 0.940 334 Q CB 0.527 29.194 28.738 -0.119 0.000 1.146 334 Q HN 1.725 nan 8.270 nan 0.000 0.388 335 G N 3.065 111.763 108.800 -0.170 0.000 2.383 335 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.229 335 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.229 335 G C 0.131 174.949 174.900 -0.137 0.000 1.089 335 G CA -0.032 45.018 45.100 -0.084 0.000 0.640 335 G HN 0.547 nan 8.290 nan 0.000 0.510 336 Q N -0.370 119.279 119.800 -0.252 0.000 2.293 336 Q HA 0.522 4.862 4.340 -0.000 0.000 0.251 336 Q C -0.862 174.903 176.000 -0.392 0.000 0.930 336 Q CA 0.011 55.695 55.803 -0.199 0.000 0.893 336 Q CB 0.828 29.485 28.738 -0.135 0.000 1.215 336 Q HN 0.478 nan 8.270 nan 0.000 0.425 337 W N 0.412 121.711 121.300 -0.001 0.000 3.138 337 W HA 0.388 5.048 4.660 -0.000 0.000 0.331 337 W C -0.702 175.880 176.519 0.106 0.000 1.166 337 W CA -0.577 56.812 57.345 0.074 0.000 1.212 337 W CB 1.697 31.245 29.460 0.146 0.000 1.399 337 W HN 0.495 nan 8.180 nan 0.000 0.514 338 T N -0.277 114.469 114.554 0.319 0.000 2.893 338 T HA 0.830 5.180 4.350 -0.000 0.000 0.291 338 T C -1.160 173.687 174.700 0.245 0.000 1.028 338 T CA -0.813 61.389 62.100 0.170 0.000 0.995 338 T CB 1.914 70.816 68.868 0.056 0.000 1.051 338 T HN 0.501 nan 8.240 nan 0.000 0.470 339 Y N -0.671 119.715 120.300 0.144 0.000 2.644 339 Y HA 0.810 5.360 4.550 -0.000 0.000 0.338 339 Y C -1.390 174.566 175.900 0.093 0.000 1.119 339 Y CA -1.372 56.799 58.100 0.118 0.000 1.060 339 Y CB 1.625 40.152 38.460 0.111 0.000 1.294 339 Y HN 0.771 nan 8.280 nan 0.000 0.472 340 Q N 1.971 121.964 119.800 0.321 0.000 2.295 340 Q HA 0.489 4.829 4.340 -0.000 0.000 0.268 340 Q C -1.925 174.155 176.000 0.134 0.000 1.010 340 Q CA -0.626 55.301 55.803 0.208 0.000 0.856 340 Q CB 2.470 31.288 28.738 0.134 0.000 1.349 340 Q HN 0.936 nan 8.270 nan 0.000 0.412 341 I N 3.575 124.199 120.570 0.089 0.000 2.377 341 I HA 0.571 4.741 4.170 -0.000 0.000 0.293 341 I C -0.643 175.396 176.117 -0.130 0.000 0.987 341 I CA -0.995 60.208 61.300 -0.162 0.000 1.185 341 I CB 0.822 38.745 38.000 -0.129 0.000 1.341 341 I HN 0.716 nan 8.210 nan 0.000 0.455 342 Y N 2.668 122.892 120.300 -0.127 0.000 2.677 342 Y HA 0.522 5.072 4.550 -0.000 0.000 0.334 342 Y C -0.046 175.771 175.900 -0.139 0.000 1.154 342 Y CA -0.906 57.121 58.100 -0.121 0.000 1.070 342 Y CB 1.281 39.682 38.460 -0.099 0.000 1.294 342 Y HN 0.399 nan 8.280 nan 0.000 0.475 343 Q N -0.396 119.531 119.800 0.211 0.000 2.477 343 Q HA 0.198 4.538 4.340 -0.000 0.000 0.252 343 Q C -0.641 175.443 176.000 0.140 0.000 0.869 343 Q CA 0.174 56.045 55.803 0.114 0.000 0.969 343 Q CB 0.967 29.722 28.738 0.028 0.000 1.144 343 Q HN 0.617 nan 8.270 nan 0.000 0.577 344 E N 0.295 120.546 120.200 0.086 0.000 2.195 344 E HA 0.198 4.548 4.350 -0.000 0.000 0.271 344 E C -2.050 174.439 176.600 -0.185 0.000 0.923 344 E CA -2.366 54.029 56.400 -0.008 0.000 0.790 344 E CB 1.602 31.306 29.700 0.007 0.000 1.155 344 E HN -0.201 nan 8.360 nan 0.000 0.402 345 P HA -0.252 nan 4.420 nan 0.000 0.209 345 P C 1.086 178.126 177.300 -0.433 0.000 1.080 345 P CA 1.472 64.275 63.100 -0.496 0.000 0.971 345 P CB -0.123 31.451 31.700 -0.210 0.000 0.768 346 F N 0.794 120.578 119.950 -0.276 0.000 2.102 346 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 346 F C 0.694 176.397 175.800 -0.160 0.000 1.105 346 F CA 1.147 59.036 58.000 -0.185 0.000 1.239 346 F CB -0.819 38.115 39.000 -0.110 0.000 0.991 346 F HN -0.274 nan 8.300 nan 0.000 0.474 347 K N 3.110 123.343 120.400 -0.278 0.000 2.062 347 K HA -0.043 4.277 4.320 -0.000 0.000 0.251 347 K C -0.627 175.800 176.600 -0.287 0.000 1.113 347 K CA -0.174 55.871 56.287 -0.403 0.000 1.096 347 K CB -0.862 31.569 32.500 -0.115 0.000 1.099 347 K HN 0.246 nan 8.250 nan 0.000 0.350 348 N N 2.621 121.095 118.700 -0.376 0.000 2.483 348 N HA -0.036 4.704 4.740 -0.000 0.000 0.264 348 N C 0.969 176.424 175.510 -0.090 0.000 1.197 348 N CA 0.096 53.067 53.050 -0.132 0.000 0.927 348 N CB 0.904 39.295 38.487 -0.161 0.000 1.065 348 N HN 0.436 nan 8.380 nan 0.000 0.461 349 L N 1.767 123.019 121.223 0.049 0.000 2.162 349 L HA 0.081 4.421 4.340 -0.000 0.000 0.205 349 L C 0.706 177.725 176.870 0.248 0.000 1.086 349 L CA 0.944 55.864 54.840 0.134 0.000 0.778 349 L CB 0.163 42.281 42.059 0.099 0.000 0.928 349 L HN 0.582 nan 8.230 nan 0.000 0.446 350 K N -1.141 119.374 120.400 0.191 0.000 2.675 350 K HA 0.190 4.510 4.320 -0.000 0.000 0.280 350 K C -1.095 175.593 176.600 0.147 0.000 0.993 350 K CA -0.312 56.111 56.287 0.227 0.000 0.863 350 K CB 1.269 33.922 32.500 0.255 0.000 1.438 350 K HN -0.023 nan 8.250 nan 0.000 0.389 351 T N -0.757 113.839 114.554 0.070 0.000 2.883 351 T HA 0.957 5.307 4.350 -0.000 0.000 0.284 351 T C 0.146 174.688 174.700 -0.262 0.000 1.041 351 T CA -0.177 61.874 62.100 -0.082 0.000 1.007 351 T CB 1.941 70.747 68.868 -0.103 0.000 1.220 351 T HN 0.875 nan 8.240 nan 0.000 0.552 352 G N -0.077 108.266 108.800 -0.762 0.000 2.430 352 G HA2 0.622 4.582 3.960 -0.000 0.000 0.300 352 G HA3 0.622 4.582 3.960 -0.000 0.000 0.300 352 G C -2.083 172.293 174.900 -0.872 0.000 1.330 352 G CA -0.864 43.733 45.100 -0.839 0.000 0.813 352 G HN 1.035 nan 8.290 nan 0.000 0.487 353 K N -1.859 118.370 120.400 -0.286 0.000 2.555 353 K HA 0.705 5.025 4.320 -0.000 0.000 0.279 353 K C -2.219 174.600 176.600 0.366 0.000 0.986 353 K CA -1.140 55.185 56.287 0.064 0.000 0.880 353 K CB 2.656 35.183 32.500 0.044 0.000 1.474 353 K HN 0.819 nan 8.250 nan 0.000 0.433 354 Y N 0.565 121.025 120.300 0.267 0.000 2.317 354 Y HA 0.571 5.121 4.550 -0.000 0.000 0.325 354 Y C -0.833 175.222 175.900 0.258 0.000 1.066 354 Y CA -0.489 57.747 58.100 0.228 0.000 1.203 354 Y CB 1.671 40.230 38.460 0.165 0.000 1.127 354 Y HN 0.860 nan 8.280 nan 0.000 0.451 355 A N 5.227 127.902 122.820 -0.241 0.000 2.127 355 A HA 0.227 4.547 4.320 -0.000 0.000 0.204 355 A C 0.952 178.288 177.584 -0.413 0.000 1.243 355 A CA -0.325 51.553 52.037 -0.265 0.000 0.887 355 A CB -0.054 18.894 19.000 -0.087 0.000 0.933 355 A HN 0.660 nan 8.150 nan 0.000 0.479 356 R N 0.960 121.223 120.500 -0.395 0.000 2.695 356 R HA -0.080 4.260 4.340 -0.000 0.000 0.304 356 R C -0.364 175.808 176.300 -0.214 0.000 0.836 356 R CA 0.487 56.481 56.100 -0.176 0.000 1.135 356 R CB -0.066 30.305 30.300 0.117 0.000 0.882 356 R HN 0.332 nan 8.270 nan 0.000 0.413 357 M N 6.130 125.680 119.600 -0.082 0.000 2.055 357 M HA 0.161 4.641 4.480 -0.000 0.000 0.347 357 M C -0.668 175.641 176.300 0.016 0.000 1.123 357 M CA -0.369 54.912 55.300 -0.031 0.000 1.035 357 M CB 0.944 33.528 32.600 -0.026 0.000 1.484 357 M HN 0.563 nan 8.290 nan 0.000 0.428 358 R N 3.663 124.195 120.500 0.053 0.000 2.215 358 R HA 0.625 4.965 4.340 -0.000 0.000 0.336 358 R C -0.234 176.093 176.300 0.045 0.000 0.996 358 R CA 0.385 56.522 56.100 0.061 0.000 0.847 358 R CB 0.554 30.913 30.300 0.098 0.000 1.127 358 R HN 0.945 nan 8.270 nan 0.000 0.465 359 G N 1.683 110.495 108.800 0.019 0.000 2.479 359 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.686 359 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.686 359 G C -0.168 174.690 174.900 -0.070 0.000 1.295 359 G CA -0.321 44.773 45.100 -0.011 0.000 0.922 359 G HN 0.683 nan 8.290 nan 0.000 0.582 360 A N -0.493 122.209 122.820 -0.197 0.000 1.862 360 A HA 0.461 4.781 4.320 -0.000 0.000 0.211 360 A C 0.920 178.319 177.584 -0.307 0.000 1.220 360 A CA 1.773 53.603 52.037 -0.345 0.000 0.616 360 A CB -0.229 18.367 19.000 -0.674 0.000 0.878 360 A HN 1.231 nan 8.150 nan 0.000 0.453 361 H N -0.013 119.103 119.070 0.075 0.000 2.589 361 H HA 0.560 5.116 4.556 -0.000 0.000 0.335 361 H C -0.318 175.055 175.328 0.075 0.000 1.019 361 H CA 0.166 56.252 56.048 0.065 0.000 1.213 361 H CB 0.934 30.736 29.762 0.067 0.000 1.472 361 H HN 0.447 nan 8.280 nan 0.000 0.508 362 T N 0.588 115.226 114.554 0.140 0.000 2.590 362 T HA 0.472 4.822 4.350 -0.000 0.000 0.282 362 T C -0.199 174.536 174.700 0.060 0.000 0.989 362 T CA -0.846 61.307 62.100 0.088 0.000 1.091 362 T CB 1.855 70.760 68.868 0.061 0.000 1.460 362 T HN 0.673 nan 8.240 nan 0.000 0.499 363 N N -1.309 117.396 118.700 0.007 0.000 3.418 363 N HA 0.397 5.137 4.740 -0.000 0.000 0.316 363 N C -0.235 175.299 175.510 0.040 0.000 1.601 363 N CA -0.677 52.380 53.050 0.013 0.000 0.805 363 N CB 0.039 38.488 38.487 -0.064 0.000 1.873 363 N HN 0.466 nan 8.380 nan 0.000 0.615 364 D N -0.454 120.002 120.400 0.094 0.000 2.137 364 D HA -0.005 4.635 4.640 -0.000 0.000 0.202 364 D C 1.730 178.061 176.300 0.051 0.000 0.970 364 D CA 0.964 55.097 54.000 0.222 0.000 0.837 364 D CB -0.010 40.982 40.800 0.319 0.000 0.981 364 D HN 0.252 nan 8.370 nan 0.000 0.475 365 V N 1.894 121.698 119.914 -0.183 0.000 2.231 365 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 365 V C 2.405 178.321 176.094 -0.296 0.000 1.054 365 V CA 1.831 63.925 62.300 -0.344 0.000 1.015 365 V CB -0.495 30.824 31.823 -0.841 0.000 0.638 365 V HN 0.138 nan 8.190 nan 0.000 0.444 366 K N -0.509 119.686 120.400 -0.341 0.000 2.063 366 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 366 K C 2.309 178.850 176.600 -0.098 0.000 1.048 366 K CA 1.750 57.946 56.287 -0.152 0.000 0.928 366 K CB -0.245 32.183 32.500 -0.121 0.000 0.713 366 K HN 0.559 nan 8.250 nan 0.000 0.442 367 Q N 0.369 120.126 119.800 -0.072 0.000 2.123 367 Q HA -0.083 4.257 4.340 -0.000 0.000 0.199 367 Q C 2.145 177.907 176.000 -0.397 0.000 0.966 367 Q CA 0.694 56.472 55.803 -0.041 0.000 0.845 367 Q CB -0.058 28.790 28.738 0.184 0.000 0.907 367 Q HN 0.302 nan 8.270 nan 0.000 0.439 368 L N 0.748 121.616 121.223 -0.592 0.000 2.017 368 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 368 L C 1.929 178.394 176.870 -0.675 0.000 1.073 368 L CA 1.856 56.123 54.840 -0.954 0.000 0.745 368 L CB -0.877 40.791 42.059 -0.652 0.000 0.894 368 L HN 0.236 nan 8.230 nan 0.000 0.432 369 T N 0.200 114.493 114.554 -0.434 0.000 2.720 369 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 369 T C 1.662 176.134 174.700 -0.379 0.000 1.037 369 T CA 1.711 63.594 62.100 -0.360 0.000 1.144 369 T CB -0.077 68.759 68.868 -0.053 0.000 0.864 369 T HN 0.472 nan 8.240 nan 0.000 0.444 370 E N 1.021 121.028 120.200 -0.322 0.000 2.038 370 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 370 E C 2.607 178.811 176.600 -0.660 0.000 1.000 370 E CA 1.099 57.279 56.400 -0.366 0.000 0.803 370 E CB -0.273 29.328 29.700 -0.166 0.000 0.750 370 E HN 0.476 nan 8.360 nan 0.000 0.448 371 A N 1.170 123.532 122.820 -0.764 0.000 1.883 371 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 371 A C 2.570 179.765 177.584 -0.648 0.000 1.186 371 A CA 1.542 53.124 52.037 -0.759 0.000 0.624 371 A CB -0.970 17.729 19.000 -0.502 0.000 0.822 371 A HN 0.132 nan 8.150 nan 0.000 0.444 372 V N -0.078 119.401 119.914 -0.725 0.000 2.250 372 V HA -0.402 3.718 4.120 -0.000 0.000 0.250 372 V C 2.715 178.442 176.094 -0.611 0.000 1.060 372 V CA 2.591 64.329 62.300 -0.937 0.000 1.030 372 V CB -0.937 30.231 31.823 -1.092 0.000 0.643 372 V HN 0.691 nan 8.190 nan 0.000 0.445 373 Q N -0.852 118.669 119.800 -0.465 0.000 2.119 373 Q HA -0.202 4.138 4.340 -0.000 0.000 0.201 373 Q C 2.460 178.311 176.000 -0.248 0.000 0.972 373 Q CA 1.226 56.859 55.803 -0.284 0.000 0.847 373 Q CB -0.235 28.371 28.738 -0.219 0.000 0.903 373 Q HN 0.406 nan 8.270 nan 0.000 0.433 374 K N 1.309 121.495 120.400 -0.356 0.000 2.026 374 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 374 K C 1.810 178.275 176.600 -0.225 0.000 1.048 374 K CA 1.276 57.380 56.287 -0.306 0.000 0.929 374 K CB -0.231 31.986 32.500 -0.471 0.000 0.713 374 K HN 0.227 nan 8.250 nan 0.000 0.439 375 I N 0.680 121.070 120.570 -0.300 0.000 2.202 375 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 375 I C 2.173 178.263 176.117 -0.046 0.000 1.091 375 I CA 1.230 62.376 61.300 -0.256 0.000 1.368 375 I CB -0.513 37.255 38.000 -0.387 0.000 1.058 375 I HN 0.140 nan 8.210 nan 0.000 0.410 376 T N 0.414 114.987 114.554 0.032 0.000 2.597 376 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 376 T C 1.898 176.617 174.700 0.032 0.000 1.053 376 T CA 2.405 64.561 62.100 0.094 0.000 1.165 376 T CB -0.577 68.336 68.868 0.075 0.000 0.863 376 T HN 0.372 nan 8.240 nan 0.000 0.427 377 T N 1.431 115.979 114.554 -0.010 0.000 2.580 377 T HA -0.198 4.152 4.350 -0.000 0.000 0.265 377 T C 1.914 176.608 174.700 -0.011 0.000 1.063 377 T CA 1.868 63.962 62.100 -0.010 0.000 1.170 377 T CB -0.559 68.292 68.868 -0.027 0.000 0.863 377 T HN 0.633 nan 8.240 nan 0.000 0.418 378 E N 0.515 120.700 120.200 -0.025 0.000 2.187 378 E HA -0.192 4.158 4.350 -0.000 0.000 0.199 378 E C 2.156 178.725 176.600 -0.052 0.000 1.004 378 E CA 1.505 57.883 56.400 -0.035 0.000 0.813 378 E CB -0.137 29.556 29.700 -0.011 0.000 0.736 378 E HN 0.378 nan 8.360 nan 0.000 0.468 379 S N 0.119 115.853 115.700 0.057 0.000 2.371 379 S HA -0.049 4.420 4.470 -0.000 0.000 0.224 379 S C 1.888 176.584 174.600 0.160 0.000 1.029 379 S CA 0.972 59.323 58.200 0.252 0.000 0.978 379 S CB -0.124 63.228 63.200 0.253 0.000 0.833 379 S HN 0.315 nan 8.310 nan 0.000 0.466 380 I N 1.294 121.902 120.570 0.064 0.000 2.394 380 I HA -0.104 4.066 4.170 -0.000 0.000 0.251 380 I C 1.972 178.073 176.117 -0.026 0.000 1.136 380 I CA 0.722 62.044 61.300 0.037 0.000 1.425 380 I CB -0.353 37.666 38.000 0.031 0.000 1.079 380 I HN 0.139 nan 8.210 nan 0.000 0.425 381 V N 0.944 120.814 119.914 -0.072 0.000 2.515 381 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 381 V C 2.148 178.114 176.094 -0.212 0.000 1.058 381 V CA 1.683 63.919 62.300 -0.107 0.000 1.064 381 V CB -0.273 31.496 31.823 -0.090 0.000 0.675 381 V HN 0.352 nan 8.190 nan 0.000 0.461 382 I N -1.981 118.336 120.570 -0.423 0.000 2.628 382 I HA -0.051 4.119 4.170 -0.000 0.000 0.255 382 I C 2.073 177.721 176.117 -0.783 0.000 1.119 382 I CA 1.128 61.955 61.300 -0.788 0.000 1.448 382 I CB -0.096 36.928 38.000 -1.627 0.000 1.133 382 I HN 0.370 nan 8.210 nan 0.000 0.438 383 W N 0.217 121.379 121.300 -0.230 0.000 2.940 383 W HA 0.358 5.018 4.660 -0.000 0.000 0.297 383 W C 1.532 177.956 176.519 -0.158 0.000 1.149 383 W CA 0.743 57.889 57.345 -0.331 0.000 1.564 383 W CB -0.078 29.049 29.460 -0.555 0.000 1.010 383 W HN 0.319 nan 8.180 nan 0.000 0.578 384 G N 1.832 110.684 108.800 0.087 0.000 2.176 384 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.253 384 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.253 384 G C 0.225 175.173 174.900 0.079 0.000 0.979 384 G CA 0.813 45.953 45.100 0.067 0.000 0.641 384 G HN 0.353 nan 8.290 nan 0.000 0.530 385 K N -1.150 119.309 120.400 0.099 0.000 2.439 385 K HA 0.776 5.096 4.320 -0.000 0.000 0.260 385 K C -0.821 175.801 176.600 0.037 0.000 1.032 385 K CA -0.472 55.851 56.287 0.060 0.000 0.882 385 K CB 1.553 34.081 32.500 0.047 0.000 1.420 385 K HN 0.327 nan 8.250 nan 0.000 0.455 386 T N 1.601 116.155 114.554 -0.001 0.000 2.771 386 T HA 0.431 4.781 4.350 -0.000 0.000 0.281 386 T C -2.270 172.324 174.700 -0.177 0.000 0.982 386 T CA -1.784 60.288 62.100 -0.046 0.000 0.978 386 T CB 0.860 69.741 68.868 0.022 0.000 0.930 386 T HN 0.505 nan 8.240 nan 0.000 0.447 387 P HA 0.377 nan 4.420 nan 0.000 0.277 387 P C -0.829 176.055 177.300 -0.692 0.000 1.271 387 P CA -0.718 62.067 63.100 -0.524 0.000 0.795 387 P CB 0.943 32.258 31.700 -0.641 0.000 1.101 388 K N 0.200 120.274 120.400 -0.544 0.000 2.174 388 K HA 0.426 4.746 4.320 -0.000 0.000 0.275 388 K C -0.471 175.796 176.600 -0.557 0.000 1.015 388 K CA -0.183 55.864 56.287 -0.400 0.000 0.933 388 K CB 0.322 32.698 32.500 -0.207 0.000 1.025 388 K HN 0.302 nan 8.250 nan 0.000 0.463 389 F N 1.506 121.411 119.950 -0.075 0.000 2.469 389 F HA 0.320 4.847 4.527 -0.000 0.000 0.332 389 F C 0.312 176.126 175.800 0.022 0.000 1.103 389 F CA -0.751 57.204 58.000 -0.075 0.000 0.979 389 F CB 1.512 40.432 39.000 -0.133 0.000 1.137 389 F HN 0.139 nan 8.300 nan 0.000 0.463 390 K N 5.171 125.689 120.400 0.197 0.000 2.347 390 K HA 0.527 4.847 4.320 -0.000 0.000 0.262 390 K C -1.259 175.439 176.600 0.163 0.000 1.052 390 K CA -0.290 56.096 56.287 0.165 0.000 0.946 390 K CB 0.978 33.541 32.500 0.104 0.000 1.220 390 K HN 0.519 nan 8.250 nan 0.000 0.450 391 L N 4.538 125.883 121.223 0.203 0.000 2.322 391 L HA 0.402 4.742 4.340 -0.000 0.000 0.281 391 L C -1.869 175.126 176.870 0.208 0.000 1.014 391 L CA -2.225 52.666 54.840 0.085 0.000 0.815 391 L CB 1.657 43.574 42.059 -0.236 0.000 1.247 391 L HN 0.363 nan 8.230 nan 0.000 0.421 392 P HA 0.114 nan 4.420 nan 0.000 0.232 392 P C -0.570 176.932 177.300 0.335 0.000 1.738 392 P CA 0.513 63.784 63.100 0.286 0.000 0.948 392 P CB 0.098 31.924 31.700 0.211 0.000 1.943 393 I N -0.326 120.478 120.570 0.391 0.000 2.607 393 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 393 I C -0.642 175.558 176.117 0.138 0.000 1.129 393 I CA -0.972 60.432 61.300 0.173 0.000 1.042 393 I CB 2.441 40.424 38.000 -0.029 0.000 1.242 393 I HN -0.252 nan 8.210 nan 0.000 0.421 394 Q N 6.026 125.731 119.800 -0.158 0.000 2.263 394 Q HA 0.036 4.376 4.340 -0.000 0.000 0.289 394 Q C 0.774 176.843 176.000 0.114 0.000 1.061 394 Q CA 0.227 55.835 55.803 -0.325 0.000 0.927 394 Q CB 0.815 29.384 28.738 -0.281 0.000 1.154 394 Q HN 0.548 nan 8.270 nan 0.000 0.378 395 K N 2.468 122.953 120.400 0.141 0.000 2.218 395 K HA -0.207 4.113 4.320 -0.000 0.000 0.205 395 K C 1.337 178.115 176.600 0.296 0.000 1.046 395 K CA 1.159 57.630 56.287 0.306 0.000 0.933 395 K CB 0.357 32.878 32.500 0.035 0.000 0.728 395 K HN 0.462 nan 8.250 nan 0.000 0.454 396 E N -0.222 120.061 120.200 0.138 0.000 2.112 396 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 396 E C 1.737 178.422 176.600 0.142 0.000 0.979 396 E CA 1.108 57.579 56.400 0.118 0.000 0.814 396 E CB -0.129 29.590 29.700 0.033 0.000 0.762 396 E HN 0.159 nan 8.360 nan 0.000 0.460 397 T N 0.716 115.342 114.554 0.121 0.000 2.607 397 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 397 T C 1.422 176.261 174.700 0.232 0.000 1.049 397 T CA 1.530 63.694 62.100 0.108 0.000 1.162 397 T CB -0.688 68.212 68.868 0.052 0.000 0.863 397 T HN 0.442 nan 8.240 nan 0.000 0.424 398 W N 2.199 123.610 121.300 0.184 0.000 2.335 398 W HA -0.180 4.480 4.660 -0.000 0.000 0.311 398 W C 2.194 179.008 176.519 0.491 0.000 1.213 398 W CA 1.804 59.344 57.345 0.324 0.000 1.274 398 W CB -0.371 29.298 29.460 0.348 0.000 1.148 398 W HN 0.438 nan 8.180 nan 0.000 0.498 399 E N -0.316 120.165 120.200 0.469 0.000 2.058 399 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 399 E C 2.055 178.554 176.600 -0.169 0.000 0.997 399 E CA 2.569 59.139 56.400 0.283 0.000 0.801 399 E CB -0.326 29.562 29.700 0.313 0.000 0.746 399 E HN 0.085 nan 8.360 nan 0.000 0.450 400 T N 1.235 115.763 114.554 -0.043 0.000 2.635 400 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 400 T C 1.244 175.851 174.700 -0.155 0.000 1.040 400 T CA 1.527 63.566 62.100 -0.102 0.000 1.156 400 T CB -0.743 68.119 68.868 -0.010 0.000 0.863 400 T HN 0.462 nan 8.240 nan 0.000 0.430 401 W N 1.915 123.039 121.300 -0.292 0.000 2.289 401 W HA -0.219 4.441 4.660 -0.000 0.000 0.328 401 W C 2.458 178.736 176.519 -0.400 0.000 1.241 401 W CA 1.722 58.852 57.345 -0.358 0.000 1.221 401 W CB -0.607 28.602 29.460 -0.419 0.000 1.175 401 W HN 0.518 nan 8.180 nan 0.000 0.457 402 W N 2.422 123.202 121.300 -0.866 0.000 2.387 402 W HA -0.164 4.496 4.660 -0.000 0.000 0.272 402 W C 1.610 177.855 176.519 -0.457 0.000 1.224 402 W CA 2.014 58.867 57.345 -0.821 0.000 1.210 402 W CB -1.617 27.427 29.460 -0.692 0.000 1.125 402 W HN 0.018 nan 8.180 nan 0.000 0.572 403 T N -2.638 111.231 114.554 -1.142 0.000 3.107 403 T HA 0.099 4.449 4.350 -0.000 0.000 0.249 403 T C 1.240 175.615 174.700 -0.541 0.000 1.096 403 T CA 0.546 62.018 62.100 -1.046 0.000 1.012 403 T CB 0.121 68.348 68.868 -1.068 0.000 0.977 403 T HN 0.020 nan 8.240 nan 0.000 0.527 404 E N -0.440 119.478 120.200 -0.470 0.000 2.500 404 E HA 0.197 4.547 4.350 -0.000 0.000 0.217 404 E C -0.544 175.891 176.600 -0.274 0.000 0.848 404 E CA -0.261 55.966 56.400 -0.288 0.000 1.217 404 E CB 0.315 29.903 29.700 -0.188 0.000 1.217 404 E HN 0.515 nan 8.360 nan 0.000 0.573 405 Y N 1.540 121.367 120.300 -0.788 0.000 2.411 405 Y HA -0.003 4.547 4.550 -0.000 0.000 0.333 405 Y C 0.951 176.504 175.900 -0.578 0.000 1.186 405 Y CA -0.854 56.635 58.100 -1.018 0.000 1.381 405 Y CB 0.337 37.712 38.460 -1.808 0.000 1.273 405 Y HN 0.020 nan 8.280 nan 0.000 0.546 406 W N 2.160 123.069 121.300 -0.652 0.000 2.800 406 W HA 0.162 4.822 4.660 -0.000 0.000 0.249 406 W C -0.145 176.062 176.519 -0.520 0.000 1.294 406 W CA -0.186 56.862 57.345 -0.496 0.000 1.402 406 W CB -0.343 28.893 29.460 -0.373 0.000 1.126 406 W HN 0.288 nan 8.180 nan 0.000 0.652 407 Q N 1.254 120.372 119.800 -1.136 0.000 2.221 407 Q HA 0.496 4.836 4.340 -0.000 0.000 0.242 407 Q C 0.055 175.890 176.000 -0.274 0.000 0.940 407 Q CA -0.260 55.195 55.803 -0.579 0.000 0.896 407 Q CB 1.485 29.834 28.738 -0.648 0.000 1.226 407 Q HN 0.109 nan 8.270 nan 0.000 0.463 408 A N 1.134 123.901 122.820 -0.088 0.000 2.386 408 A HA 0.479 4.799 4.320 -0.000 0.000 0.248 408 A C 0.176 177.808 177.584 0.080 0.000 1.082 408 A CA 0.278 52.324 52.037 0.014 0.000 0.789 408 A CB 0.653 19.672 19.000 0.031 0.000 1.025 408 A HN 0.645 nan 8.150 nan 0.000 0.490 409 T N -0.070 114.581 114.554 0.161 0.000 2.886 409 T HA 0.519 4.869 4.350 -0.000 0.000 0.330 409 T C -2.123 172.826 174.700 0.415 0.000 1.488 409 T CA -0.187 62.072 62.100 0.265 0.000 1.054 409 T CB 0.731 69.745 68.868 0.244 0.000 1.348 409 T HN 1.522 nan 8.240 nan 0.000 0.489 410 W N 4.741 126.191 121.300 0.249 0.000 3.319 410 W HA 0.635 5.295 4.660 -0.000 0.000 0.300 410 W C -2.647 173.934 176.519 0.102 0.000 1.244 410 W CA -0.836 56.641 57.345 0.220 0.000 1.193 410 W CB 0.871 30.349 29.460 0.029 0.000 1.359 410 W HN 0.606 nan 8.180 nan 0.000 0.568 411 I N 4.989 124.932 120.570 -1.045 0.000 2.545 411 I HA 0.377 4.547 4.170 -0.000 0.000 0.292 411 I C -1.914 173.139 176.117 -1.773 0.000 1.040 411 I CA -2.515 58.008 61.300 -1.296 0.000 1.068 411 I CB 1.445 38.625 38.000 -1.367 0.000 1.251 411 I HN 0.186 nan 8.210 nan 0.000 0.424 412 P HA 0.029 nan 4.420 nan 0.000 0.300 412 P C -0.119 177.123 177.300 -0.097 0.000 1.294 412 P CA -0.389 62.278 63.100 -0.722 0.000 0.757 412 P CB 0.402 31.993 31.700 -0.181 0.000 1.377 413 E N 0.779 121.022 120.200 0.072 0.000 2.415 413 E HA 0.027 4.377 4.350 -0.000 0.000 0.260 413 E C -0.940 175.743 176.600 0.138 0.000 1.016 413 E CA 0.077 56.514 56.400 0.061 0.000 0.924 413 E CB 0.061 29.779 29.700 0.031 0.000 0.961 413 E HN 0.330 nan 8.360 nan 0.000 0.459 414 W N 3.134 124.389 121.300 -0.076 0.000 3.167 414 W HA 0.545 5.205 4.660 -0.000 0.000 0.324 414 W C -1.376 175.126 176.519 -0.028 0.000 1.230 414 W CA -0.932 56.382 57.345 -0.053 0.000 1.184 414 W CB 0.573 29.954 29.460 -0.130 0.000 1.414 414 W HN 0.265 nan 8.180 nan 0.000 0.551 415 E N 1.521 121.819 120.200 0.164 0.000 2.277 415 E HA 0.472 4.822 4.350 -0.000 0.000 0.266 415 E C -1.272 175.507 176.600 0.300 0.000 0.901 415 E CA -0.955 55.458 56.400 0.021 0.000 0.782 415 E CB 2.397 32.098 29.700 0.002 0.000 1.228 415 E HN 0.279 nan 8.360 nan 0.000 0.424 416 F N 2.503 122.510 119.950 0.096 0.000 2.429 416 F HA 0.495 5.022 4.527 -0.000 0.000 0.348 416 F C -0.744 175.142 175.800 0.143 0.000 1.109 416 F CA -0.733 57.400 58.000 0.221 0.000 1.232 416 F CB 0.701 39.803 39.000 0.168 0.000 1.157 416 F HN 0.169 nan 8.300 nan 0.000 0.564 417 V N 7.320 126.708 119.914 -0.877 0.000 2.525 417 V HA 0.314 4.434 4.120 -0.000 0.000 0.299 417 V C -0.625 174.840 176.094 -1.049 0.000 1.034 417 V CA -0.794 61.015 62.300 -0.818 0.000 0.863 417 V CB 1.424 33.111 31.823 -0.227 0.000 0.999 417 V HN 0.850 nan 8.190 nan 0.000 0.423 418 N N 4.372 122.537 118.700 -0.892 0.000 3.243 418 N HA 0.073 4.813 4.740 -0.000 0.000 0.310 418 N C -0.068 175.414 175.510 -0.047 0.000 1.313 418 N CA 0.247 53.156 53.050 -0.236 0.000 1.204 418 N CB 0.202 38.695 38.487 0.009 0.000 1.483 418 N HN 0.749 nan 8.380 nan 0.000 0.553 419 T N 1.560 116.100 114.554 -0.023 0.000 3.149 419 T HA 0.383 4.733 4.350 -0.000 0.000 0.373 419 T C -2.614 172.122 174.700 0.060 0.000 1.364 419 T CA -1.930 60.181 62.100 0.019 0.000 1.110 419 T CB 0.364 69.240 68.868 0.013 0.000 1.127 419 T HN 0.137 nan 8.240 nan 0.000 0.576 420 P HA 0.100 nan 4.420 nan 0.000 0.264 420 P C -1.980 175.345 177.300 0.042 0.000 1.179 420 P CA -0.724 62.413 63.100 0.063 0.000 0.763 420 P CB 0.012 31.745 31.700 0.055 0.000 0.806 421 P HA 0.170 nan 4.420 nan 0.000 0.273 421 P C -0.999 176.346 177.300 0.074 0.000 1.250 421 P CA 0.189 63.317 63.100 0.045 0.000 0.793 421 P CB 0.769 32.480 31.700 0.020 0.000 1.011 422 L N 0.060 121.329 121.223 0.076 0.000 2.386 422 L HA 0.384 4.724 4.340 -0.000 0.000 0.271 422 L C -0.006 176.895 176.870 0.051 0.000 0.993 422 L CA -1.461 53.439 54.840 0.099 0.000 0.819 422 L CB 2.195 44.319 42.059 0.108 0.000 1.294 422 L HN 0.082 nan 8.230 nan 0.000 0.414 423 V N 3.060 123.027 119.914 0.088 0.000 2.614 423 V HA 0.356 4.476 4.120 -0.000 0.000 0.291 423 V C 0.046 176.096 176.094 -0.073 0.000 1.049 423 V CA -0.145 62.192 62.300 0.062 0.000 1.038 423 V CB 1.057 32.966 31.823 0.142 0.000 0.980 423 V HN 0.884 nan 8.190 nan 0.000 0.481 424 K N 4.060 124.342 120.400 -0.197 0.000 2.587 424 K HA 0.552 4.872 4.320 -0.000 0.000 0.276 424 K C -1.736 174.610 176.600 -0.423 0.000 0.956 424 K CA -1.040 55.055 56.287 -0.319 0.000 0.857 424 K CB 1.376 33.617 32.500 -0.432 0.000 1.431 424 K HN 0.369 nan 8.250 nan 0.000 0.420 425 L N 2.303 123.350 121.223 -0.293 0.000 2.367 425 L HA 0.185 4.525 4.340 -0.000 0.000 0.275 425 L C 0.340 177.086 176.870 -0.207 0.000 1.129 425 L CA -0.545 54.174 54.840 -0.201 0.000 0.839 425 L CB 0.173 42.138 42.059 -0.156 0.000 1.133 425 L HN 0.708 nan 8.230 nan 0.000 0.453 426 W N 2.752 124.086 121.300 0.056 0.000 2.519 426 W HA -0.030 4.630 4.660 -0.000 0.000 0.266 426 W C 0.117 176.847 176.519 0.352 0.000 1.253 426 W CA 0.063 57.537 57.345 0.215 0.000 1.274 426 W CB -0.288 29.316 29.460 0.239 0.000 1.114 426 W HN 0.506 nan 8.180 nan 0.000 0.596 427 Y N -2.648 117.748 120.300 0.160 0.000 2.732 427 Y HA 0.565 5.115 4.550 -0.000 0.000 0.342 427 Y C -1.224 174.729 175.900 0.088 0.000 1.203 427 Y CA -2.671 55.493 58.100 0.107 0.000 1.092 427 Y CB 0.427 38.958 38.460 0.119 0.000 1.345 427 Y HN -0.203 nan 8.280 nan 0.000 0.458 428 Q N 1.473 121.317 119.800 0.073 0.000 2.359 428 Q HA 0.653 4.993 4.340 -0.000 0.000 0.274 428 Q C -2.003 174.052 176.000 0.090 0.000 1.074 428 Q CA -0.657 55.136 55.803 -0.016 0.000 0.810 428 Q CB 2.178 30.918 28.738 0.003 0.000 1.342 428 Q HN 0.856 nan 8.270 nan 0.000 0.427 429 L N 2.897 124.162 121.223 0.070 0.000 2.349 429 L HA 0.352 4.692 4.340 -0.000 0.000 0.275 429 L C 0.508 177.434 176.870 0.093 0.000 1.115 429 L CA -0.722 54.177 54.840 0.099 0.000 0.820 429 L CB 0.716 42.812 42.059 0.061 0.000 1.135 429 L HN 0.609 nan 8.230 nan 0.000 0.445 430 E N 2.386 122.668 120.200 0.137 0.000 2.415 430 E HA -0.005 4.345 4.350 -0.000 0.000 0.262 430 E C 0.588 177.311 176.600 0.205 0.000 1.038 430 E CA 0.104 56.607 56.400 0.171 0.000 0.921 430 E CB 0.980 30.811 29.700 0.218 0.000 0.950 430 E HN 0.457 nan 8.360 nan 0.000 0.438 431 K N 1.191 121.687 120.400 0.160 0.000 2.116 431 K HA -0.036 4.284 4.320 -0.000 0.000 0.203 431 K C 0.530 177.282 176.600 0.254 0.000 1.052 431 K CA 0.768 57.148 56.287 0.154 0.000 0.952 431 K CB 0.223 32.771 32.500 0.080 0.000 0.729 431 K HN 0.259 nan 8.250 nan 0.000 0.446 432 E N 0.351 120.664 120.200 0.188 0.000 2.277 432 E HA 0.238 4.588 4.350 -0.000 0.000 0.266 432 E C -2.699 173.754 176.600 -0.245 0.000 0.901 432 E CA -2.819 53.604 56.400 0.038 0.000 0.782 432 E CB 1.506 31.196 29.700 -0.015 0.000 1.228 432 E HN -0.166 nan 8.360 nan 0.000 0.424 433 P HA 0.017 nan 4.420 nan 0.000 0.266 433 P C -0.587 176.520 177.300 -0.321 0.000 1.193 433 P CA 0.055 62.604 63.100 -0.918 0.000 0.770 433 P CB 0.475 31.701 31.700 -0.790 0.000 0.836 434 I N 2.527 122.988 120.570 -0.182 0.000 2.325 434 I HA 0.074 4.244 4.170 -0.000 0.000 0.291 434 I C 0.573 176.654 176.117 -0.059 0.000 1.019 434 I CA -0.543 60.717 61.300 -0.067 0.000 1.302 434 I CB 0.792 38.792 38.000 -0.001 0.000 1.401 434 I HN 0.091 nan 8.210 nan 0.000 0.485 435 V N 5.400 125.286 119.914 -0.047 0.000 2.843 435 V HA 0.302 4.422 4.120 -0.000 0.000 0.305 435 V C 1.288 177.373 176.094 -0.016 0.000 1.065 435 V CA -0.130 62.149 62.300 -0.035 0.000 1.116 435 V CB 0.308 32.114 31.823 -0.028 0.000 0.968 435 V HN 1.105 nan 8.190 nan 0.000 0.487 436 G N 2.703 111.496 108.800 -0.012 0.000 2.372 436 G HA2 0.156 4.116 3.960 -0.000 0.000 0.297 436 G HA3 0.156 4.116 3.960 -0.000 0.000 0.297 436 G C 0.012 174.917 174.900 0.008 0.000 1.005 436 G CA 0.345 45.444 45.100 -0.002 0.000 1.173 436 G HN 1.790 nan 8.290 nan 0.000 0.511 437 A N 0.137 122.966 122.820 0.014 0.000 2.486 437 A HA 0.757 5.077 4.320 -0.000 0.000 0.300 437 A C 0.046 177.657 177.584 0.046 0.000 1.048 437 A CA -0.621 51.438 52.037 0.038 0.000 0.696 437 A CB 1.111 20.139 19.000 0.047 0.000 1.278 437 A HN 0.411 nan 8.150 nan 0.000 0.405 438 E N 1.174 121.416 120.200 0.070 0.000 2.465 438 E HA 0.153 4.503 4.350 -0.000 0.000 0.260 438 E C -0.474 176.175 176.600 0.080 0.000 0.980 438 E CA 0.649 57.054 56.400 0.008 0.000 0.927 438 E CB 0.420 30.104 29.700 -0.027 0.000 0.934 438 E HN 0.503 nan 8.360 nan 0.000 0.459 439 T N 4.697 119.246 114.554 -0.008 0.000 2.910 439 T HA 0.242 4.592 4.350 -0.000 0.000 0.323 439 T C -0.418 174.312 174.700 0.049 0.000 1.091 439 T CA -0.455 61.679 62.100 0.057 0.000 0.960 439 T CB -0.277 68.623 68.868 0.054 0.000 1.024 439 T HN 0.167 nan 8.240 nan 0.000 0.509 440 F N 2.812 122.753 119.950 -0.015 0.000 2.424 440 F HA 0.361 4.888 4.527 -0.000 0.000 0.356 440 F C 0.168 175.988 175.800 0.032 0.000 1.110 440 F CA -1.132 56.888 58.000 0.032 0.000 1.161 440 F CB 0.335 39.279 39.000 -0.093 0.000 1.115 440 F HN 0.467 nan 8.300 nan 0.000 0.507 441 Y N 3.106 123.506 120.300 0.166 0.000 2.367 441 Y HA 0.524 5.074 4.550 -0.000 0.000 0.342 441 Y C 0.117 176.112 175.900 0.158 0.000 0.979 441 Y CA -1.041 57.128 58.100 0.115 0.000 1.161 441 Y CB 1.181 39.671 38.460 0.050 0.000 1.155 441 Y HN 0.405 nan 8.280 nan 0.000 0.503 442 V N 0.203 120.260 119.914 0.238 0.000 3.040 442 V HA 0.914 5.034 4.120 -0.000 0.000 0.312 442 V C -1.260 174.913 176.094 0.132 0.000 1.115 442 V CA -0.459 61.970 62.300 0.216 0.000 0.998 442 V CB 2.393 34.339 31.823 0.204 0.000 1.042 442 V HN 0.652 nan 8.190 nan 0.000 0.433 443 D N 0.261 120.731 120.400 0.116 0.000 2.792 443 D HA 0.819 5.459 4.640 -0.000 0.000 0.335 443 D C -0.406 175.940 176.300 0.076 0.000 1.353 443 D CA 0.631 54.678 54.000 0.080 0.000 0.839 443 D CB 1.735 42.561 40.800 0.044 0.000 1.396 443 D HN 1.335 nan 8.370 nan 0.000 0.479 444 G N -1.194 107.645 108.800 0.066 0.000 2.559 444 G HA2 0.826 4.786 3.960 -0.000 0.000 0.291 444 G HA3 0.826 4.786 3.960 -0.000 0.000 0.291 444 G C -1.727 173.209 174.900 0.060 0.000 1.424 444 G CA 0.061 45.198 45.100 0.061 0.000 0.786 444 G HN 0.864 nan 8.290 nan 0.000 0.485 445 A N -1.410 121.442 122.820 0.054 0.000 2.581 445 A HA 1.131 5.451 4.320 -0.000 0.000 0.290 445 A C -0.634 176.979 177.584 0.049 0.000 1.119 445 A CA 0.232 52.303 52.037 0.057 0.000 0.670 445 A CB 1.167 20.198 19.000 0.051 0.000 1.280 445 A HN 2.649 nan 8.150 nan 0.000 0.425 446 A N -0.005 122.843 122.820 0.046 0.000 2.601 446 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 446 A C -1.217 176.386 177.584 0.032 0.000 1.075 446 A CA -0.303 51.757 52.037 0.038 0.000 0.671 446 A CB 0.937 19.960 19.000 0.039 0.000 1.277 446 A HN 0.968 nan 8.150 nan 0.000 0.417 447 N N 0.361 119.076 118.700 0.026 0.000 2.457 447 N HA 0.208 4.948 4.740 -0.000 0.000 0.250 447 N C 0.739 176.261 175.510 0.019 0.000 0.982 447 N CA -0.585 52.478 53.050 0.022 0.000 0.941 447 N CB 0.664 39.162 38.487 0.018 0.000 1.120 447 N HN 0.667 nan 8.380 nan 0.000 0.505 448 R N 2.052 122.563 120.500 0.018 0.000 2.362 448 R HA -0.033 4.307 4.340 -0.000 0.000 0.204 448 R C -0.194 176.113 176.300 0.011 0.000 1.088 448 R CA 0.773 56.881 56.100 0.014 0.000 1.121 448 R CB 0.034 30.341 30.300 0.011 0.000 0.954 448 R HN 0.554 nan 8.270 nan 0.000 0.478 449 E N -0.173 120.034 120.200 0.012 0.000 2.475 449 E HA -0.031 4.319 4.350 -0.000 0.000 0.205 449 E C 1.500 178.106 176.600 0.010 0.000 0.822 449 E CA 1.140 57.546 56.400 0.010 0.000 1.240 449 E CB 0.519 30.224 29.700 0.009 0.000 1.222 449 E HN 0.379 nan 8.360 nan 0.000 0.581 450 T N -1.373 113.188 114.554 0.012 0.000 3.051 450 T HA 0.105 4.455 4.350 -0.000 0.000 0.255 450 T C 0.722 175.430 174.700 0.013 0.000 1.085 450 T CA 0.174 62.281 62.100 0.012 0.000 1.109 450 T CB 0.137 69.012 68.868 0.012 0.000 0.921 450 T HN -0.136 nan 8.240 nan 0.000 0.488 451 K N 0.368 120.777 120.400 0.015 0.000 3.472 451 K HA -0.112 4.208 4.320 -0.000 0.000 0.315 451 K C -0.026 176.586 176.600 0.020 0.000 1.320 451 K CA 0.441 56.739 56.287 0.017 0.000 0.962 451 K CB -2.664 29.845 32.500 0.016 0.000 1.251 451 K HN 0.529 nan 8.250 nan 0.000 0.443 452 L N 0.116 121.350 121.223 0.019 0.000 2.439 452 L HA 0.612 4.952 4.340 -0.000 0.000 0.261 452 L C 1.052 177.936 176.870 0.023 0.000 1.153 452 L CA 0.067 54.919 54.840 0.019 0.000 0.808 452 L CB 1.360 43.428 42.059 0.016 0.000 1.126 452 L HN 0.210 nan 8.230 nan 0.000 0.460 453 G N 0.681 109.496 108.800 0.025 0.000 2.742 453 G HA2 0.527 4.487 3.960 -0.000 0.000 0.296 453 G HA3 0.527 4.487 3.960 -0.000 0.000 0.296 453 G C -1.654 173.262 174.900 0.027 0.000 1.436 453 G CA -0.648 44.470 45.100 0.030 0.000 0.928 453 G HN 0.426 nan 8.290 nan 0.000 0.520 454 K N 0.702 121.117 120.400 0.026 0.000 2.535 454 K HA 0.648 4.968 4.320 -0.000 0.000 0.253 454 K C -0.450 176.166 176.600 0.027 0.000 0.953 454 K CA -0.591 55.708 56.287 0.019 0.000 0.863 454 K CB 2.366 34.870 32.500 0.006 0.000 1.111 454 K HN 0.645 nan 8.250 nan 0.000 0.431 455 A N 2.178 125.018 122.820 0.034 0.000 2.304 455 A HA 0.841 5.161 4.320 -0.000 0.000 0.323 455 A C -0.181 177.424 177.584 0.034 0.000 1.195 455 A CA -0.556 51.512 52.037 0.052 0.000 0.826 455 A CB 1.241 20.287 19.000 0.078 0.000 1.184 455 A HN 0.766 nan 8.150 nan 0.000 0.496 456 G N 0.557 109.384 108.800 0.046 0.000 2.718 456 G HA2 0.648 4.608 3.960 -0.000 0.000 0.295 456 G HA3 0.648 4.608 3.960 -0.000 0.000 0.295 456 G C -1.262 173.693 174.900 0.090 0.000 1.421 456 G CA -0.420 44.670 45.100 -0.016 0.000 0.902 456 G HN 1.447 nan 8.290 nan 0.000 0.501 457 Y N -1.291 119.067 120.300 0.098 0.000 2.638 457 Y HA 0.846 5.396 4.550 -0.000 0.000 0.339 457 Y C -1.047 174.918 175.900 0.107 0.000 1.084 457 Y CA -2.163 56.028 58.100 0.152 0.000 1.068 457 Y CB 2.091 40.715 38.460 0.273 0.000 1.294 457 Y HN 1.185 nan 8.280 nan 0.000 0.480 458 V N 1.535 121.718 119.914 0.449 0.000 2.739 458 V HA 0.591 4.711 4.120 -0.000 0.000 0.293 458 V C -0.901 175.259 176.094 0.110 0.000 1.199 458 V CA 0.371 62.799 62.300 0.214 0.000 0.931 458 V CB 1.091 32.939 31.823 0.041 0.000 1.052 458 V HN 1.490 nan 8.190 nan 0.000 0.441 459 T N 2.561 117.095 114.554 -0.032 0.000 2.912 459 T HA 0.386 4.736 4.350 -0.000 0.000 0.280 459 T C 1.270 175.906 174.700 -0.106 0.000 0.989 459 T CA -0.003 61.987 62.100 -0.183 0.000 0.995 459 T CB 1.398 69.904 68.868 -0.603 0.000 1.077 459 T HN 0.990 nan 8.240 nan 0.000 0.531 460 N N 0.830 119.494 118.700 -0.060 0.000 2.309 460 N HA -0.136 4.604 4.740 -0.000 0.000 0.182 460 N C 1.106 176.577 175.510 -0.065 0.000 1.018 460 N CA 0.906 53.928 53.050 -0.047 0.000 0.876 460 N CB -0.317 38.179 38.487 0.014 0.000 0.972 460 N HN 0.667 nan 8.380 nan 0.000 0.434 461 K N -0.276 120.071 120.400 -0.088 0.000 2.505 461 K HA 0.111 4.431 4.320 -0.000 0.000 0.192 461 K C 0.646 177.210 176.600 -0.060 0.000 1.025 461 K CA 0.423 56.669 56.287 -0.069 0.000 1.086 461 K CB -0.052 32.403 32.500 -0.075 0.000 0.840 461 K HN 0.466 nan 8.250 nan 0.000 0.514 462 G N 1.793 110.554 108.800 -0.065 0.000 2.195 462 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.246 462 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.246 462 G C 0.144 175.026 174.900 -0.029 0.000 0.984 462 G CA 0.021 45.092 45.100 -0.047 0.000 0.633 462 G HN 0.386 nan 8.290 nan 0.000 0.525 463 R N 0.789 121.274 120.500 -0.025 0.000 2.694 463 R HA 0.566 4.906 4.340 -0.000 0.000 0.268 463 R C -0.142 176.217 176.300 0.099 0.000 1.061 463 R CA 0.472 56.596 56.100 0.039 0.000 1.133 463 R CB 0.421 30.754 30.300 0.055 0.000 1.020 463 R HN 0.442 nan 8.270 nan 0.000 0.475 464 Q N 1.800 121.657 119.800 0.094 0.000 2.472 464 Q HA 0.352 4.692 4.340 -0.000 0.000 0.281 464 Q C -2.000 173.847 176.000 -0.256 0.000 0.997 464 Q CA -0.814 54.956 55.803 -0.055 0.000 0.828 464 Q CB 2.002 30.705 28.738 -0.057 0.000 1.443 464 Q HN 0.639 nan 8.270 nan 0.000 0.390 465 K N 1.248 121.343 120.400 -0.508 0.000 2.589 465 K HA 0.593 4.913 4.320 -0.000 0.000 0.265 465 K C -2.143 174.221 176.600 -0.393 0.000 0.935 465 K CA -0.624 55.336 56.287 -0.546 0.000 0.850 465 K CB 2.078 33.999 32.500 -0.964 0.000 1.372 465 K HN 0.434 nan 8.250 nan 0.000 0.420 466 V N 0.832 120.616 119.914 -0.217 0.000 2.777 466 V HA 0.718 4.838 4.120 -0.000 0.000 0.306 466 V C -1.591 174.457 176.094 -0.076 0.000 1.112 466 V CA -0.600 61.622 62.300 -0.130 0.000 0.917 466 V CB 1.748 33.519 31.823 -0.086 0.000 1.018 466 V HN 0.431 nan 8.190 nan 0.000 0.426 467 V N 6.056 125.945 119.914 -0.042 0.000 2.769 467 V HA 0.724 4.844 4.120 -0.000 0.000 0.312 467 V C -2.248 173.847 176.094 0.002 0.000 1.058 467 V CA -1.688 60.604 62.300 -0.013 0.000 0.952 467 V CB 2.149 33.975 31.823 0.006 0.000 1.019 467 V HN 0.938 nan 8.190 nan 0.000 0.445 468 P HA 0.636 nan 4.420 nan 0.000 0.290 468 P C -1.654 175.659 177.300 0.021 0.000 1.283 468 P CA -0.646 62.461 63.100 0.011 0.000 0.869 468 P CB 1.891 33.595 31.700 0.007 0.000 1.100 469 L N 1.508 122.745 121.223 0.024 0.000 2.409 469 L HA 0.336 4.676 4.340 -0.000 0.000 0.272 469 L C 1.865 178.750 176.870 0.025 0.000 0.980 469 L CA -0.221 54.637 54.840 0.029 0.000 0.826 469 L CB 1.505 43.587 42.059 0.038 0.000 1.268 469 L HN 0.460 nan 8.230 nan 0.000 0.407 470 T N -0.070 114.498 114.554 0.023 0.000 2.529 470 T HA -0.143 4.207 4.350 -0.000 0.000 0.261 470 T C 0.504 175.216 174.700 0.020 0.000 1.110 470 T CA 1.584 63.695 62.100 0.019 0.000 1.192 470 T CB -0.482 68.397 68.868 0.018 0.000 0.864 470 T HN 0.628 nan 8.240 nan 0.000 0.407 471 N N 0.570 119.282 118.700 0.021 0.000 2.576 471 N HA 0.566 5.306 4.740 -0.000 0.000 0.269 471 N C -0.938 174.587 175.510 0.025 0.000 1.058 471 N CA -0.648 52.414 53.050 0.021 0.000 0.860 471 N CB 2.110 40.607 38.487 0.017 0.000 1.249 471 N HN 0.467 nan 8.380 nan 0.000 0.525 472 T N -0.444 114.127 114.554 0.028 0.000 2.742 472 T HA 0.766 5.116 4.350 -0.000 0.000 0.282 472 T C -1.001 173.719 174.700 0.034 0.000 1.025 472 T CA -0.469 61.652 62.100 0.035 0.000 1.020 472 T CB 0.994 69.888 68.868 0.043 0.000 1.317 472 T HN 0.608 nan 8.240 nan 0.000 0.538 473 T N 0.345 114.924 114.554 0.041 0.000 2.856 473 T HA 0.396 4.746 4.350 -0.000 0.000 0.283 473 T C 1.082 175.811 174.700 0.048 0.000 1.008 473 T CA -0.835 61.286 62.100 0.034 0.000 0.997 473 T CB 1.346 70.229 68.868 0.024 0.000 0.992 473 T HN 0.571 nan 8.240 nan 0.000 0.454 474 N N 0.830 119.555 118.700 0.042 0.000 2.322 474 N HA -0.210 4.530 4.740 -0.000 0.000 0.189 474 N C 1.356 176.917 175.510 0.085 0.000 1.012 474 N CA 1.602 54.687 53.050 0.058 0.000 0.880 474 N CB 0.011 38.528 38.487 0.050 0.000 0.967 474 N HN 0.651 nan 8.380 nan 0.000 0.439 475 Q N 0.531 120.377 119.800 0.076 0.000 2.008 475 Q HA 0.078 4.418 4.340 -0.000 0.000 0.196 475 Q C 2.018 178.157 176.000 0.231 0.000 0.973 475 Q CA 1.064 56.960 55.803 0.154 0.000 0.826 475 Q CB -0.115 28.603 28.738 -0.033 0.000 0.894 475 Q HN 0.224 nan 8.270 nan 0.000 0.439 476 K N 0.216 120.721 120.400 0.175 0.000 2.089 476 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 476 K C 2.265 178.938 176.600 0.121 0.000 1.048 476 K CA 1.841 58.219 56.287 0.152 0.000 0.926 476 K CB -0.577 31.985 32.500 0.103 0.000 0.714 476 K HN 0.491 nan 8.250 nan 0.000 0.448 477 T N -0.607 114.011 114.554 0.107 0.000 2.635 477 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 477 T C 1.785 176.549 174.700 0.106 0.000 1.040 477 T CA 1.631 63.788 62.100 0.095 0.000 1.156 477 T CB -0.431 68.486 68.868 0.081 0.000 0.863 477 T HN 0.283 nan 8.240 nan 0.000 0.430 478 E N 0.719 120.992 120.200 0.121 0.000 2.171 478 E HA -0.072 4.278 4.350 -0.000 0.000 0.197 478 E C 2.230 178.891 176.600 0.102 0.000 0.997 478 E CA 1.182 57.654 56.400 0.121 0.000 0.810 478 E CB -0.328 29.464 29.700 0.154 0.000 0.738 478 E HN 0.495 nan 8.360 nan 0.000 0.467 479 L N 0.475 121.757 121.223 0.099 0.000 1.988 479 L HA -0.235 4.105 4.340 -0.000 0.000 0.207 479 L C 2.610 179.530 176.870 0.084 0.000 1.071 479 L CA 1.076 55.946 54.840 0.051 0.000 0.744 479 L CB -0.410 41.668 42.059 0.031 0.000 0.893 479 L HN 0.209 nan 8.230 nan 0.000 0.433 480 Q N -0.211 119.653 119.800 0.106 0.000 2.047 480 Q HA -0.314 4.026 4.340 -0.000 0.000 0.211 480 Q C 2.212 178.319 176.000 0.179 0.000 1.005 480 Q CA 2.162 58.060 55.803 0.160 0.000 0.866 480 Q CB -0.729 28.089 28.738 0.133 0.000 0.938 480 Q HN 0.585 nan 8.270 nan 0.000 0.414 481 A N 1.302 124.206 122.820 0.141 0.000 1.870 481 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 481 A C 2.177 179.846 177.584 0.142 0.000 1.224 481 A CA 2.165 54.294 52.037 0.153 0.000 0.650 481 A CB -1.136 17.947 19.000 0.137 0.000 0.836 481 A HN 0.429 nan 8.150 nan 0.000 0.454 482 I N -1.926 118.707 120.570 0.104 0.000 2.399 482 I HA -0.289 3.881 4.170 -0.000 0.000 0.254 482 I C 2.472 178.631 176.117 0.070 0.000 1.146 482 I CA 1.834 63.167 61.300 0.056 0.000 1.412 482 I CB -0.517 37.503 38.000 0.032 0.000 1.076 482 I HN 0.575 nan 8.210 nan 0.000 0.432 483 Y N 2.047 122.327 120.300 -0.032 0.000 2.109 483 Y HA -0.192 4.358 4.550 -0.000 0.000 0.285 483 Y C 2.334 178.204 175.900 -0.049 0.000 1.131 483 Y CA 1.377 59.448 58.100 -0.049 0.000 1.121 483 Y CB -0.705 37.740 38.460 -0.024 0.000 0.987 483 Y HN -0.020 nan 8.280 nan 0.000 0.495 484 L N 0.095 121.289 121.223 -0.049 0.000 1.997 484 L HA -0.316 4.024 4.340 -0.000 0.000 0.216 484 L C 2.767 179.537 176.870 -0.167 0.000 1.074 484 L CA 1.698 56.495 54.840 -0.071 0.000 0.763 484 L CB -1.473 40.711 42.059 0.209 0.000 0.890 484 L HN 0.291 nan 8.230 nan 0.000 0.434 485 A N -0.112 122.595 122.820 -0.188 0.000 1.986 485 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 485 A C 2.287 179.368 177.584 -0.839 0.000 1.171 485 A CA 1.742 53.365 52.037 -0.690 0.000 0.640 485 A CB -0.672 18.090 19.000 -0.398 0.000 0.811 485 A HN 0.421 nan 8.150 nan 0.000 0.451 486 L N -1.441 119.518 121.223 -0.441 0.000 2.162 486 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 486 L C 2.854 179.529 176.870 -0.325 0.000 1.086 486 L CA 0.924 55.556 54.840 -0.348 0.000 0.778 486 L CB -0.514 41.454 42.059 -0.152 0.000 0.928 486 L HN 0.504 nan 8.230 nan 0.000 0.446 487 Q N 0.257 119.838 119.800 -0.365 0.000 1.917 487 Q HA -0.205 4.135 4.340 -0.000 0.000 0.205 487 Q C 1.385 177.243 176.000 -0.237 0.000 0.988 487 Q CA 1.661 57.270 55.803 -0.324 0.000 0.851 487 Q CB -0.196 28.280 28.738 -0.438 0.000 0.916 487 Q HN 0.396 nan 8.270 nan 0.000 0.424 488 D N 1.052 121.318 120.400 -0.224 0.000 2.403 488 D HA -0.057 4.583 4.640 -0.000 0.000 0.227 488 D C 0.766 176.963 176.300 -0.172 0.000 0.995 488 D CA 0.474 54.403 54.000 -0.119 0.000 0.928 488 D CB -0.322 40.496 40.800 0.030 0.000 0.887 488 D HN 0.173 nan 8.370 nan 0.000 0.529 489 S N -0.895 114.574 115.700 -0.385 0.000 2.626 489 S HA 0.458 4.928 4.470 -0.000 0.000 0.257 489 S C 1.107 175.648 174.600 -0.098 0.000 1.288 489 S CA -0.270 57.693 58.200 -0.396 0.000 0.980 489 S CB 1.509 64.389 63.200 -0.533 0.000 0.975 489 S HN 0.120 nan 8.310 nan 0.000 0.577 490 G N -0.696 108.096 108.800 -0.013 0.000 3.286 490 G HA2 0.431 4.390 3.960 -0.000 0.000 0.173 490 G HA3 0.431 4.390 3.960 -0.000 0.000 0.173 490 G C 0.214 175.109 174.900 -0.008 0.000 1.704 490 G CA -0.168 44.943 45.100 0.018 0.000 1.041 490 G HN 0.616 nan 8.290 nan 0.000 0.561 491 L N -0.751 120.479 121.223 0.012 0.000 2.840 491 L HA 0.453 4.793 4.340 -0.000 0.000 0.249 491 L C 0.079 176.962 176.870 0.021 0.000 1.119 491 L CA 0.324 55.170 54.840 0.009 0.000 0.930 491 L CB 0.475 42.543 42.059 0.015 0.000 1.295 491 L HN 0.394 nan 8.230 nan 0.000 0.534 492 E N 0.187 120.407 120.200 0.032 0.000 2.316 492 E HA 0.540 4.890 4.350 -0.000 0.000 0.254 492 E C -1.359 175.280 176.600 0.065 0.000 0.902 492 E CA -0.339 56.089 56.400 0.046 0.000 0.801 492 E CB 2.164 31.890 29.700 0.043 0.000 1.270 492 E HN -0.028 nan 8.360 nan 0.000 0.414 493 V N 0.196 120.151 119.914 0.068 0.000 3.040 493 V HA 0.640 4.760 4.120 -0.000 0.000 0.312 493 V C -0.715 175.458 176.094 0.133 0.000 1.115 493 V CA -1.028 61.334 62.300 0.104 0.000 0.998 493 V CB 2.363 34.192 31.823 0.009 0.000 1.042 493 V HN 0.456 nan 8.190 nan 0.000 0.433 494 N N 2.251 121.059 118.700 0.181 0.000 2.354 494 N HA 0.690 5.430 4.740 -0.000 0.000 0.287 494 N C -1.273 174.333 175.510 0.160 0.000 1.016 494 N CA -0.216 52.951 53.050 0.195 0.000 0.871 494 N CB 2.433 41.006 38.487 0.144 0.000 1.299 494 N HN 0.768 nan 8.380 nan 0.000 0.482 495 I N 1.714 122.346 120.570 0.103 0.000 2.439 495 I HA 0.241 4.411 4.170 -0.000 0.000 0.283 495 I C 0.073 176.177 176.117 -0.022 0.000 1.023 495 I CA -1.121 60.202 61.300 0.039 0.000 1.100 495 I CB 1.914 39.916 38.000 0.003 0.000 1.238 495 I HN 0.161 nan 8.210 nan 0.000 0.445 496 V N 2.887 122.736 119.914 -0.109 0.000 2.612 496 V HA 0.847 4.967 4.120 -0.000 0.000 0.301 496 V C -0.377 175.675 176.094 -0.070 0.000 1.046 496 V CA 0.152 62.373 62.300 -0.133 0.000 0.946 496 V CB 1.835 33.480 31.823 -0.296 0.000 1.003 496 V HN 0.818 nan 8.190 nan 0.000 0.459 497 T N 1.627 116.139 114.554 -0.069 0.000 2.816 497 T HA 0.494 4.844 4.350 -0.000 0.000 0.299 497 T C -0.396 174.162 174.700 -0.235 0.000 1.230 497 T CA 0.296 62.363 62.100 -0.055 0.000 1.007 497 T CB 1.988 70.880 68.868 0.040 0.000 1.289 497 T HN 1.015 nan 8.240 nan 0.000 0.508 498 D N 0.063 120.354 120.400 -0.182 0.000 2.441 498 D HA 0.216 4.856 4.640 -0.000 0.000 0.210 498 D C 0.586 176.988 176.300 0.171 0.000 1.102 498 D CA -0.080 53.721 54.000 -0.331 0.000 0.840 498 D CB 0.156 40.835 40.800 -0.201 0.000 0.990 498 D HN 0.275 nan 8.370 nan 0.000 0.505 499 S N 0.501 116.340 115.700 0.232 0.000 2.400 499 S HA 0.085 4.555 4.470 -0.000 0.000 0.295 499 S C 1.073 175.893 174.600 0.366 0.000 1.113 499 S CA -0.439 57.946 58.200 0.309 0.000 1.064 499 S CB 0.617 63.944 63.200 0.212 0.000 0.990 499 S HN 0.128 nan 8.310 nan 0.000 0.502 500 Q N 3.625 123.651 119.800 0.375 0.000 2.046 500 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 500 Q C 1.357 177.429 176.000 0.119 0.000 0.975 500 Q CA 1.539 57.416 55.803 0.124 0.000 0.836 500 Q CB -0.448 28.277 28.738 -0.021 0.000 0.896 500 Q HN 0.970 nan 8.270 nan 0.000 0.428 501 Y N 1.793 122.137 120.300 0.073 0.000 2.029 501 Y HA -0.385 4.165 4.550 -0.000 0.000 0.269 501 Y C 2.220 178.160 175.900 0.067 0.000 1.201 501 Y CA 1.673 59.814 58.100 0.068 0.000 1.115 501 Y CB -0.871 37.636 38.460 0.079 0.000 0.945 501 Y HN 0.100 nan 8.280 nan 0.000 0.497 502 A N 0.338 123.028 122.820 -0.217 0.000 1.828 502 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 502 A C 2.261 179.745 177.584 -0.166 0.000 1.203 502 A CA 1.785 53.634 52.037 -0.313 0.000 0.614 502 A CB -1.561 17.389 19.000 -0.084 0.000 0.844 502 A HN 0.569 nan 8.150 nan 0.000 0.445 503 L N 0.354 121.561 121.223 -0.026 0.000 2.085 503 L HA -0.214 4.126 4.340 -0.000 0.000 0.218 503 L C 2.348 179.187 176.870 -0.052 0.000 1.080 503 L CA 2.605 57.441 54.840 -0.008 0.000 0.776 503 L CB -1.121 40.971 42.059 0.056 0.000 0.891 503 L HN 0.387 nan 8.230 nan 0.000 0.437 504 G N -0.564 108.194 108.800 -0.071 0.000 2.433 504 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 504 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 504 G C 1.616 176.543 174.900 0.046 0.000 1.186 504 G CA 1.130 46.201 45.100 -0.048 0.000 0.779 504 G HN 0.500 nan 8.290 nan 0.000 0.543 505 I N 0.713 121.263 120.570 -0.033 0.000 2.118 505 I HA -0.210 3.960 4.170 -0.000 0.000 0.241 505 I C 2.726 178.875 176.117 0.053 0.000 1.070 505 I CA 1.141 62.436 61.300 -0.008 0.000 1.327 505 I CB -0.317 37.491 38.000 -0.320 0.000 1.034 505 I HN 0.161 nan 8.210 nan 0.000 0.405 506 I N 0.309 120.885 120.570 0.009 0.000 2.286 506 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 506 I C 2.501 178.719 176.117 0.168 0.000 1.115 506 I CA 1.333 62.687 61.300 0.090 0.000 1.392 506 I CB -0.492 37.540 38.000 0.054 0.000 1.065 506 I HN 0.333 nan 8.210 nan 0.000 0.418 507 Q N 0.726 120.624 119.800 0.163 0.000 2.291 507 Q HA -0.099 4.241 4.340 -0.000 0.000 0.206 507 Q C 2.018 178.301 176.000 0.472 0.000 0.976 507 Q CA 1.291 57.238 55.803 0.241 0.000 0.875 507 Q CB -0.173 28.634 28.738 0.115 0.000 0.927 507 Q HN 0.561 nan 8.270 nan 0.000 0.450 508 A N 0.773 123.902 122.820 0.516 0.000 2.278 508 A HA -0.017 4.303 4.320 -0.000 0.000 0.212 508 A C -0.114 177.612 177.584 0.236 0.000 1.213 508 A CA -0.209 52.120 52.037 0.487 0.000 0.840 508 A CB -0.100 19.212 19.000 0.520 0.000 0.866 508 A HN 0.374 nan 8.150 nan 0.000 0.489 509 Q N -1.373 118.524 119.800 0.163 0.000 2.430 509 Q HA -0.148 4.191 4.340 -0.000 0.000 0.365 509 Q C -2.499 173.546 176.000 0.074 0.000 1.399 509 Q CA 0.241 56.034 55.803 -0.017 0.000 1.050 509 Q CB -1.770 26.847 28.738 -0.203 0.000 1.201 509 Q HN 0.427 nan 8.270 nan 0.000 0.320 510 P HA 0.084 nan 4.420 nan 0.000 0.277 510 P C -0.003 177.414 177.300 0.195 0.000 1.240 510 P CA -0.091 63.109 63.100 0.167 0.000 0.798 510 P CB 0.662 32.459 31.700 0.162 0.000 0.979 511 D N -0.828 119.635 120.400 0.105 0.000 2.538 511 D HA 0.134 4.774 4.640 -0.000 0.000 0.241 511 D C -0.253 176.005 176.300 -0.070 0.000 1.297 511 D CA -0.048 53.957 54.000 0.008 0.000 0.804 511 D CB 0.217 41.047 40.800 0.049 0.000 1.122 511 D HN 0.217 nan 8.370 nan 0.000 0.519 512 K N -0.925 119.471 120.400 -0.007 0.000 2.548 512 K HA 0.736 5.056 4.320 -0.000 0.000 0.282 512 K C -1.305 175.321 176.600 0.044 0.000 1.006 512 K CA -1.078 55.202 56.287 -0.011 0.000 0.892 512 K CB 2.320 34.818 32.500 -0.002 0.000 1.499 512 K HN -0.052 nan 8.250 nan 0.000 0.433 513 S N -0.364 115.360 115.700 0.041 0.000 2.683 513 S HA 0.075 4.545 4.470 -0.000 0.000 0.278 513 S C -1.015 173.621 174.600 0.061 0.000 1.059 513 S CA -0.589 57.674 58.200 0.105 0.000 0.847 513 S CB 1.270 64.565 63.200 0.159 0.000 1.078 513 S HN 0.705 nan 8.310 nan 0.000 0.456 514 E N 0.932 121.179 120.200 0.078 0.000 2.479 514 E HA 0.119 4.469 4.350 -0.000 0.000 0.193 514 E C 0.000 176.632 176.600 0.053 0.000 1.049 514 E CA 0.035 56.460 56.400 0.042 0.000 0.870 514 E CB 0.631 30.347 29.700 0.026 0.000 0.944 514 E HN 0.340 nan 8.360 nan 0.000 0.492 515 S N 1.292 117.047 115.700 0.092 0.000 2.404 515 S HA 0.057 4.526 4.470 -0.000 0.000 0.309 515 S C 0.867 175.463 174.600 -0.007 0.000 1.076 515 S CA -0.483 57.756 58.200 0.064 0.000 1.095 515 S CB 1.100 64.369 63.200 0.115 0.000 0.972 515 S HN 0.121 nan 8.310 nan 0.000 0.484 516 E N 5.198 125.383 120.200 -0.024 0.000 2.082 516 E HA -0.251 4.099 4.350 -0.000 0.000 0.215 516 E C 1.612 178.137 176.600 -0.124 0.000 1.048 516 E CA 2.368 58.730 56.400 -0.063 0.000 0.869 516 E CB -0.720 28.950 29.700 -0.049 0.000 0.773 516 E HN 0.798 nan 8.360 nan 0.000 0.466 517 L N -0.295 120.847 121.223 -0.135 0.000 2.010 517 L HA -0.282 4.058 4.340 -0.000 0.000 0.219 517 L C 2.482 179.183 176.870 -0.282 0.000 1.077 517 L CA 2.135 56.832 54.840 -0.238 0.000 0.773 517 L CB -0.455 41.515 42.059 -0.148 0.000 0.892 517 L HN 0.223 nan 8.230 nan 0.000 0.436 518 V N 0.221 120.024 119.914 -0.185 0.000 2.332 518 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 518 V C 2.207 178.196 176.094 -0.176 0.000 1.055 518 V CA 2.158 64.344 62.300 -0.189 0.000 1.038 518 V CB -0.984 30.729 31.823 -0.183 0.000 0.651 518 V HN 0.561 nan 8.190 nan 0.000 0.450 519 N N 0.127 118.738 118.700 -0.149 0.000 2.223 519 N HA -0.208 4.532 4.740 -0.000 0.000 0.185 519 N C 1.941 177.344 175.510 -0.178 0.000 1.016 519 N CA 1.472 54.437 53.050 -0.141 0.000 0.863 519 N CB -0.235 38.183 38.487 -0.115 0.000 0.983 519 N HN 0.629 nan 8.380 nan 0.000 0.429 520 Q N 0.655 120.304 119.800 -0.252 0.000 2.046 520 Q HA 0.038 4.378 4.340 -0.000 0.000 0.200 520 Q C 2.270 178.128 176.000 -0.236 0.000 0.975 520 Q CA 0.874 56.493 55.803 -0.307 0.000 0.836 520 Q CB -0.041 28.294 28.738 -0.672 0.000 0.896 520 Q HN 0.379 nan 8.270 nan 0.000 0.428 521 I N 0.639 121.032 120.570 -0.295 0.000 2.208 521 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 521 I C 2.133 178.163 176.117 -0.145 0.000 1.097 521 I CA 0.754 61.976 61.300 -0.131 0.000 1.363 521 I CB -0.424 37.496 38.000 -0.135 0.000 1.051 521 I HN 0.244 nan 8.210 nan 0.000 0.413 522 I N 0.943 121.407 120.570 -0.176 0.000 2.058 522 I HA -0.337 3.833 4.170 -0.000 0.000 0.235 522 I C 2.631 178.597 176.117 -0.252 0.000 1.053 522 I CA 1.838 63.006 61.300 -0.221 0.000 1.313 522 I CB -1.276 36.630 38.000 -0.157 0.000 1.039 522 I HN 0.402 nan 8.210 nan 0.000 0.396 523 E N 0.682 120.774 120.200 -0.181 0.000 2.086 523 E HA -0.374 3.976 4.350 -0.000 0.000 0.205 523 E C 2.191 178.720 176.600 -0.118 0.000 1.027 523 E CA 2.385 58.698 56.400 -0.143 0.000 0.830 523 E CB -0.148 29.493 29.700 -0.099 0.000 0.751 523 E HN 0.363 nan 8.360 nan 0.000 0.456 524 Q N 0.296 120.052 119.800 -0.073 0.000 2.135 524 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 524 Q C 2.221 178.149 176.000 -0.120 0.000 0.981 524 Q CA 1.517 57.291 55.803 -0.048 0.000 0.856 524 Q CB -0.180 28.584 28.738 0.043 0.000 0.902 524 Q HN 0.442 nan 8.270 nan 0.000 0.425 525 L N -0.916 120.171 121.223 -0.227 0.000 2.056 525 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 525 L C 1.959 178.648 176.870 -0.302 0.000 1.078 525 L CA 0.502 55.140 54.840 -0.337 0.000 0.749 525 L CB -0.345 41.313 42.059 -0.668 0.000 0.901 525 L HN 0.254 nan 8.230 nan 0.000 0.433 526 I N 0.082 120.478 120.570 -0.289 0.000 2.127 526 I HA -0.342 3.828 4.170 -0.000 0.000 0.241 526 I C 2.473 178.591 176.117 0.002 0.000 1.075 526 I CA 1.633 62.895 61.300 -0.062 0.000 1.334 526 I CB -0.464 37.544 38.000 0.014 0.000 1.040 526 I HN 0.100 nan 8.210 nan 0.000 0.405 527 K N 0.197 120.582 120.400 -0.026 0.000 2.160 527 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 527 K C 0.889 177.487 176.600 -0.002 0.000 1.047 527 K CA 0.818 57.101 56.287 -0.006 0.000 0.930 527 K CB -0.128 32.359 32.500 -0.021 0.000 0.720 527 K HN 0.117 nan 8.250 nan 0.000 0.450 528 K N 0.754 121.143 120.400 -0.019 0.000 2.285 528 K HA -0.087 4.233 4.320 -0.000 0.000 0.255 528 K C 1.034 177.652 176.600 0.031 0.000 1.000 528 K CA 0.643 56.927 56.287 -0.004 0.000 0.887 528 K CB 0.628 33.119 32.500 -0.015 0.000 0.997 528 K HN 0.113 nan 8.250 nan 0.000 0.510 529 E N 0.117 120.338 120.200 0.036 0.000 2.391 529 E HA 0.095 4.445 4.350 -0.000 0.000 0.206 529 E C -0.711 175.926 176.600 0.062 0.000 0.851 529 E CA 0.279 56.708 56.400 0.048 0.000 1.059 529 E CB 0.571 30.293 29.700 0.037 0.000 1.065 529 E HN 0.347 nan 8.360 nan 0.000 0.512 530 K N 0.742 121.179 120.400 0.062 0.000 2.739 530 K HA 0.291 4.611 4.320 -0.000 0.000 0.288 530 K C -1.869 174.785 176.600 0.090 0.000 1.142 530 K CA -0.313 56.021 56.287 0.079 0.000 1.060 530 K CB 2.317 34.857 32.500 0.067 0.000 1.338 530 K HN -0.130 nan 8.250 nan 0.000 0.514 531 V N 2.969 122.949 119.914 0.109 0.000 2.513 531 V HA 0.404 4.524 4.120 -0.000 0.000 0.299 531 V C -0.983 175.210 176.094 0.165 0.000 1.035 531 V CA -0.878 61.488 62.300 0.111 0.000 0.889 531 V CB 1.295 33.160 31.823 0.071 0.000 0.988 531 V HN 0.592 nan 8.190 nan 0.000 0.440 532 Y N 5.002 125.322 120.300 0.034 0.000 2.341 532 Y HA 0.734 5.284 4.550 -0.000 0.000 0.338 532 Y C -1.078 174.838 175.900 0.026 0.000 0.965 532 Y CA -0.869 57.251 58.100 0.033 0.000 1.108 532 Y CB 1.626 40.099 38.460 0.023 0.000 1.180 532 Y HN 0.530 nan 8.280 nan 0.000 0.458 533 L N 6.206 127.117 121.223 -0.520 0.000 2.298 533 L HA 0.800 5.140 4.340 -0.000 0.000 0.284 533 L C -0.440 176.135 176.870 -0.492 0.000 1.013 533 L CA -0.223 54.411 54.840 -0.343 0.000 0.824 533 L CB 1.409 43.374 42.059 -0.157 0.000 1.221 533 L HN 0.793 nan 8.230 nan 0.000 0.418 534 A N 2.837 125.519 122.820 -0.231 0.000 2.354 534 A HA 0.797 5.117 4.320 -0.000 0.000 0.321 534 A C -1.861 175.771 177.584 0.080 0.000 1.125 534 A CA -0.519 51.480 52.037 -0.064 0.000 0.799 534 A CB 1.086 20.152 19.000 0.111 0.000 1.293 534 A HN 0.705 nan 8.150 nan 0.000 0.452 535 W N 0.864 122.130 121.300 -0.056 0.000 2.844 535 W HA 0.609 5.269 4.660 -0.000 0.000 0.340 535 W C -1.226 175.293 176.519 0.000 0.000 1.093 535 W CA -0.416 56.911 57.345 -0.031 0.000 1.212 535 W CB 2.066 31.500 29.460 -0.043 0.000 1.422 535 W HN 0.945 nan 8.180 nan 0.000 0.515 536 V N 2.336 121.595 119.914 -1.093 0.000 2.969 536 V HA 0.580 4.700 4.120 -0.000 0.000 0.304 536 V C -2.838 172.307 176.094 -1.583 0.000 1.192 536 V CA -2.865 58.848 62.300 -0.979 0.000 0.962 536 V CB 1.509 33.102 31.823 -0.382 0.000 1.045 536 V HN 0.481 nan 8.190 nan 0.000 0.428 537 P HA 0.261 nan 4.420 nan 0.000 0.260 537 P C 0.330 177.477 177.300 -0.256 0.000 1.185 537 P CA 0.914 63.727 63.100 -0.478 0.000 0.763 537 P CB 0.374 32.042 31.700 -0.054 0.000 0.776 538 A N 4.052 126.811 122.820 -0.103 0.000 2.409 538 A HA 0.060 4.380 4.320 -0.000 0.000 0.246 538 A C 0.145 177.844 177.584 0.190 0.000 1.099 538 A CA -0.033 52.040 52.037 0.060 0.000 0.789 538 A CB -0.895 18.268 19.000 0.272 0.000 1.053 538 A HN 0.747 nan 8.150 nan 0.000 0.503 539 H N -1.447 117.605 119.070 -0.030 0.000 2.355 539 H HA -0.144 4.412 4.556 -0.000 0.000 0.324 539 H C 0.311 175.630 175.328 -0.015 0.000 1.015 539 H CA 1.460 57.499 56.048 -0.015 0.000 1.101 539 H CB -1.050 28.712 29.762 0.001 0.000 1.555 539 H HN 0.611 nan 8.280 nan 0.000 0.386 540 K N -0.340 120.084 120.400 0.040 0.000 2.477 540 K HA 0.321 4.641 4.320 -0.000 0.000 0.208 540 K C 1.108 177.707 176.600 -0.001 0.000 1.117 540 K CA 0.575 56.876 56.287 0.024 0.000 1.039 540 K CB 0.817 33.323 32.500 0.009 0.000 0.937 540 K HN 0.532 nan 8.250 nan 0.000 0.570 541 G N 1.694 110.482 108.800 -0.021 0.000 2.256 541 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.272 541 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.272 541 G C -0.272 174.613 174.900 -0.026 0.000 1.076 541 G CA 0.206 45.291 45.100 -0.027 0.000 0.882 541 G HN 0.234 nan 8.290 nan 0.000 0.497 542 I N 0.948 121.500 120.570 -0.029 0.000 2.312 542 I HA 0.473 4.643 4.170 -0.000 0.000 0.290 542 I C 1.668 177.791 176.117 0.009 0.000 1.008 542 I CA 0.272 61.566 61.300 -0.009 0.000 1.226 542 I CB 0.882 38.872 38.000 -0.016 0.000 1.371 542 I HN 0.584 nan 8.210 nan 0.000 0.468 543 G N 5.093 113.895 108.800 0.003 0.000 2.684 543 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.332 543 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.332 543 G C 1.057 175.856 174.900 -0.168 0.000 1.306 543 G CA 0.653 45.737 45.100 -0.027 0.000 1.002 543 G HN 0.835 nan 8.290 nan 0.000 0.545 544 G N 0.146 108.674 108.800 -0.453 0.000 2.464 544 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.217 544 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.217 544 G C 1.494 176.266 174.900 -0.214 0.000 1.138 544 G CA 1.503 46.119 45.100 -0.806 0.000 0.793 544 G HN 0.994 nan 8.290 nan 0.000 0.539 545 N N 1.201 119.965 118.700 0.106 0.000 2.069 545 N HA -0.232 4.508 4.740 -0.000 0.000 0.196 545 N C 1.949 177.438 175.510 -0.036 0.000 1.024 545 N CA 2.207 55.303 53.050 0.078 0.000 0.869 545 N CB -0.421 38.084 38.487 0.030 0.000 1.035 545 N HN 0.523 nan 8.380 nan 0.000 0.434 546 E N -0.758 119.402 120.200 -0.066 0.000 2.070 546 E HA -0.298 4.052 4.350 -0.000 0.000 0.197 546 E C 1.740 178.289 176.600 -0.086 0.000 1.004 546 E CA 1.427 57.776 56.400 -0.085 0.000 0.805 546 E CB -0.077 29.579 29.700 -0.074 0.000 0.744 546 E HN 0.484 nan 8.360 nan 0.000 0.451 547 Q N 0.310 120.054 119.800 -0.093 0.000 1.948 547 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 547 Q C 2.568 178.531 176.000 -0.061 0.000 0.992 547 Q CA 1.783 57.535 55.803 -0.086 0.000 0.849 547 Q CB -1.137 27.531 28.738 -0.116 0.000 0.918 547 Q HN 0.338 nan 8.270 nan 0.000 0.421 548 V N 1.941 121.831 119.914 -0.040 0.000 2.277 548 V HA -0.344 3.776 4.120 -0.000 0.000 0.255 548 V C 2.140 178.219 176.094 -0.025 0.000 1.074 548 V CA 2.388 64.684 62.300 -0.007 0.000 1.058 548 V CB -1.140 30.714 31.823 0.052 0.000 0.656 548 V HN 0.348 nan 8.190 nan 0.000 0.449 549 D N 0.241 120.612 120.400 -0.048 0.000 2.108 549 D HA -0.271 4.369 4.640 -0.000 0.000 0.190 549 D C 2.224 178.488 176.300 -0.060 0.000 0.995 549 D CA 2.181 56.135 54.000 -0.076 0.000 0.834 549 D CB -0.315 40.392 40.800 -0.155 0.000 0.967 549 D HN 0.452 nan 8.370 nan 0.000 0.446 550 K N -0.393 119.969 120.400 -0.062 0.000 2.077 550 K HA -0.224 4.096 4.320 -0.000 0.000 0.213 550 K C 2.201 178.780 176.600 -0.035 0.000 1.051 550 K CA 1.584 57.843 56.287 -0.046 0.000 0.929 550 K CB -0.265 32.207 32.500 -0.047 0.000 0.715 550 K HN 0.249 nan 8.250 nan 0.000 0.451 551 L N 0.380 121.581 121.223 -0.037 0.000 1.950 551 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 551 L C 2.508 179.363 176.870 -0.025 0.000 1.079 551 L CA 1.429 56.248 54.840 -0.033 0.000 0.754 551 L CB -1.059 40.976 42.059 -0.041 0.000 0.889 551 L HN 0.152 nan 8.230 nan 0.000 0.433 552 V N -2.022 117.880 119.914 -0.019 0.000 2.439 552 V HA -0.232 3.888 4.120 -0.000 0.000 0.253 552 V C 2.177 178.272 176.094 0.001 0.000 1.074 552 V CA 2.016 64.312 62.300 -0.006 0.000 1.076 552 V CB -1.378 30.449 31.823 0.007 0.000 0.664 552 V HN 0.584 nan 8.190 nan 0.000 0.461 553 S N 0.175 115.873 115.700 -0.004 0.000 2.671 553 S HA 0.500 4.970 4.470 -0.000 0.000 0.220 553 S C 1.773 176.376 174.600 0.005 0.000 0.951 553 S CA 0.379 58.583 58.200 0.007 0.000 0.932 553 S CB 0.147 63.351 63.200 0.007 0.000 0.777 553 S HN 0.971 nan 8.310 nan 0.000 0.508 554 A N 2.774 125.593 122.820 -0.002 0.000 1.849 554 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 554 A C 2.219 179.804 177.584 0.002 0.000 1.225 554 A CA 1.629 53.664 52.037 -0.003 0.000 0.653 554 A CB -1.681 17.313 19.000 -0.009 0.000 0.844 554 A HN 0.702 nan 8.150 nan 0.000 0.453 555 G N -1.633 107.169 108.800 0.003 0.000 2.990 555 G HA2 0.231 4.191 3.960 -0.000 0.000 0.206 555 G HA3 0.231 4.191 3.960 -0.000 0.000 0.206 555 G C 0.998 175.903 174.900 0.010 0.000 1.169 555 G CA 0.971 46.074 45.100 0.005 0.000 0.819 555 G HN 0.572 nan 8.290 nan 0.000 0.517 556 I N -0.981 119.598 120.570 0.013 0.000 3.578 556 I HA 0.426 4.596 4.170 -0.000 0.000 0.238 556 I C 1.310 177.439 176.117 0.020 0.000 1.080 556 I CA -0.419 60.892 61.300 0.018 0.000 1.538 556 I CB -0.029 37.986 38.000 0.024 0.000 1.477 556 I HN -0.013 nan 8.210 nan 0.000 0.464 557 R N 1.542 122.057 120.500 0.025 0.000 2.707 557 R HA 0.275 4.615 4.340 -0.000 0.000 0.270 557 R C -0.609 175.703 176.300 0.020 0.000 1.083 557 R CA -0.035 56.082 56.100 0.027 0.000 1.182 557 R CB 0.488 30.813 30.300 0.041 0.000 1.084 557 R HN 0.249 nan 8.270 nan 0.000 0.528 558 K N 0.358 120.770 120.400 0.020 0.000 2.499 558 K HA 0.405 4.725 4.320 -0.000 0.000 0.284 558 K C -1.908 174.701 176.600 0.015 0.000 1.039 558 K CA -0.666 55.630 56.287 0.015 0.000 0.873 558 K CB 1.783 34.289 32.500 0.011 0.000 1.545 558 K HN 0.369 nan 8.250 nan 0.000 0.402 559 V N 1.928 121.849 119.914 0.012 0.000 2.817 559 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 559 V C -1.106 174.992 176.094 0.008 0.000 1.151 559 V CA -0.749 61.557 62.300 0.011 0.000 0.929 559 V CB 1.772 33.602 31.823 0.011 0.000 1.030 559 V HN 0.683 nan 8.190 nan 0.000 0.427 560 L N 0.000 121.227 121.223 0.007 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 560 L CA 0.000 54.843 54.840 0.005 0.000 0.813 560 L CB 0.000 42.062 42.059 0.005 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502