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 2xja_1_D DATA FIRST_RESID 27 DATA SEQUENCE RPNAVVGVRL AALADQVGAA LXXXXXXRAV TEDRTVTGVT LRAQDVSPGD DATA SEQUENCE LFAALTGSTT HGARHVGDAI ARGAVAVLTD PAGVAEIAGR AAVPVLVHPA DATA SEQUENCE PRGVLGGLAA TVYGHPSERL TVIGITGTSG KTTTTYLVEA GLRAAGRVAG DATA SEQUENCE LIGTIGIRVG GADLPSALTT PEAPTLQAML AAMVERGVDT VVMEVSSHAL DATA SEQUENCE ALGRVDGTRF AVGAFTNLSR DHLDFHPSMA DYFEAXASLF DPDSALRART DATA SEQUENCE AVVCIDDDAG RAMAARAADA ITVSAADRPA HWRATDVAPT DAGGQQFTAI DATA SEQUENCE DPAGVGHHIG IRLPGRYNVA NCLVALAILD TVGVSPEQAV PGLREIRVPG DATA SEQUENCE RLEQIDRGQG FLALVDYAHK PEALRSVLTT LAHPDRRLAV VFGAGXXXXX DATA SEQUENCE XKRAPMGRIA AQLADLVVVT DDNPRXXXPT AIRREILAGA AEVGGDAQVV DATA SEQUENCE EIADRRDAIR HAVAWARPGD VVLIAGKGHE TGQRGGXXXR PFDDRVELAA DATA SEQUENCE ALEALE 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 27 R HA 0.000 nan 4.340 nan 0.000 0.208 27 R C 0.000 176.277 176.300 -0.038 0.000 0.893 27 R CA 0.000 56.062 56.100 -0.063 0.000 0.921 27 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 28 P HA 0.271 nan 4.420 nan 0.000 0.288 28 P C -0.623 176.698 177.300 0.036 0.000 1.267 28 P CA -0.496 62.607 63.100 0.005 0.000 0.815 28 P CB 1.023 32.737 31.700 0.024 0.000 0.989 29 N N 1.426 120.139 118.700 0.021 0.000 2.142 29 N HA -0.071 4.669 4.740 -0.000 0.000 0.186 29 N C 0.719 176.246 175.510 0.027 0.000 1.023 29 N CA 1.052 54.114 53.050 0.021 0.000 0.852 29 N CB -0.352 38.141 38.487 0.010 0.000 0.998 29 N HN 0.544 nan 8.380 nan 0.000 0.424 30 A N 1.235 124.072 122.820 0.028 0.000 2.654 30 A HA 0.446 4.766 4.320 -0.000 0.000 0.345 30 A C -0.372 177.232 177.584 0.033 0.000 1.368 30 A CA -0.560 51.492 52.037 0.025 0.000 0.895 30 A CB 0.363 19.372 19.000 0.016 0.000 1.143 30 A HN 0.012 nan 8.150 nan 0.000 0.490 31 V N 3.783 123.719 119.914 0.037 0.000 2.370 31 V HA 0.669 4.789 4.120 -0.000 0.000 0.283 31 V C -0.023 176.067 176.094 -0.005 0.000 1.023 31 V CA -0.532 61.784 62.300 0.027 0.000 0.857 31 V CB 1.338 33.189 31.823 0.047 0.000 0.985 31 V HN 0.960 nan 8.190 nan 0.000 0.443 32 V N 4.892 124.800 119.914 -0.011 0.000 2.555 32 V HA 0.778 4.898 4.120 -0.000 0.000 0.286 32 V C 1.074 177.140 176.094 -0.047 0.000 1.044 32 V CA 0.381 62.668 62.300 -0.022 0.000 1.026 32 V CB 0.146 31.961 31.823 -0.014 0.000 0.981 32 V HN 1.136 nan 8.190 nan 0.000 0.480 33 G N 3.242 112.012 108.800 -0.050 0.000 2.611 33 G HA2 0.490 4.450 3.960 -0.000 0.000 0.273 33 G HA3 0.490 4.450 3.960 -0.000 0.000 0.273 33 G C -0.500 174.359 174.900 -0.069 0.000 1.305 33 G CA -0.461 44.596 45.100 -0.072 0.000 1.010 33 G HN 1.112 nan 8.290 nan 0.000 0.509 34 V N -0.140 119.727 119.914 -0.078 0.000 2.531 34 V HA 0.676 4.796 4.120 -0.000 0.000 0.301 34 V C 0.789 176.855 176.094 -0.046 0.000 1.034 34 V CA -0.798 61.465 62.300 -0.061 0.000 0.865 34 V CB 0.743 32.518 31.823 -0.080 0.000 0.995 34 V HN 1.184 nan 8.190 nan 0.000 0.424 35 R N 2.493 122.975 120.500 -0.031 0.000 2.583 35 R HA 0.187 4.527 4.340 -0.000 0.000 0.274 35 R C 0.927 177.213 176.300 -0.023 0.000 0.998 35 R CA 0.554 56.640 56.100 -0.022 0.000 1.081 35 R CB -0.452 29.840 30.300 -0.014 0.000 0.940 35 R HN 0.832 nan 8.270 nan 0.000 0.413 36 L N 2.820 124.032 121.223 -0.018 0.000 2.083 36 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 36 L C 2.853 179.717 176.870 -0.010 0.000 1.083 36 L CA 2.722 57.553 54.840 -0.016 0.000 0.752 36 L CB -0.831 41.223 42.059 -0.008 0.000 0.899 36 L HN 0.909 nan 8.230 nan 0.000 0.433 37 A N -0.315 122.501 122.820 -0.006 0.000 1.884 37 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 37 A C 2.484 180.067 177.584 -0.002 0.000 1.197 37 A CA 2.490 54.526 52.037 -0.001 0.000 0.637 37 A CB -1.352 17.648 19.000 -0.000 0.000 0.827 37 A HN 0.593 nan 8.150 nan 0.000 0.450 38 A N -1.141 121.675 122.820 -0.006 0.000 1.902 38 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 38 A C 2.037 179.616 177.584 -0.008 0.000 1.181 38 A CA 1.765 53.799 52.037 -0.005 0.000 0.623 38 A CB -0.519 18.476 19.000 -0.008 0.000 0.818 38 A HN 0.412 nan 8.150 nan 0.000 0.443 39 L N -0.430 120.782 121.223 -0.018 0.000 2.046 39 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 39 L C 2.981 179.841 176.870 -0.017 0.000 1.077 39 L CA 1.860 56.684 54.840 -0.027 0.000 0.747 39 L CB -1.407 40.627 42.059 -0.041 0.000 0.896 39 L HN 0.422 nan 8.230 nan 0.000 0.432 40 A N -0.492 122.324 122.820 -0.005 0.000 1.858 40 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 40 A C 2.017 179.613 177.584 0.019 0.000 1.190 40 A CA 2.047 54.090 52.037 0.009 0.000 0.617 40 A CB -0.857 18.152 19.000 0.014 0.000 0.827 40 A HN 0.420 nan 8.150 nan 0.000 0.443 41 D N -1.000 119.409 120.400 0.015 0.000 2.178 41 D HA -0.150 4.490 4.640 -0.000 0.000 0.201 41 D C 2.047 178.361 176.300 0.023 0.000 0.980 41 D CA 1.375 55.387 54.000 0.020 0.000 0.842 41 D CB -0.210 40.599 40.800 0.014 0.000 0.948 41 D HN 0.709 nan 8.370 nan 0.000 0.472 42 Q N 0.438 120.247 119.800 0.015 0.000 1.942 42 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 42 Q C 2.031 178.042 176.000 0.018 0.000 0.987 42 Q CA 1.245 57.056 55.803 0.014 0.000 0.844 42 Q CB -0.218 28.524 28.738 0.006 0.000 0.911 42 Q HN 0.107 nan 8.270 nan 0.000 0.423 43 V N 0.519 120.431 119.914 -0.003 0.000 2.568 43 V HA -0.145 3.975 4.120 -0.000 0.000 0.253 43 V C 1.281 177.444 176.094 0.114 0.000 1.072 43 V CA 1.447 63.736 62.300 -0.019 0.000 1.084 43 V CB -0.954 30.787 31.823 -0.137 0.000 0.676 43 V HN 0.802 nan 8.190 nan 0.000 0.469 44 G N 0.147 109.003 108.800 0.093 0.000 2.314 44 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.292 44 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.292 44 G C 0.135 175.125 174.900 0.150 0.000 1.059 44 G CA 0.292 45.454 45.100 0.104 0.000 0.982 44 G HN 1.048 nan 8.290 nan 0.000 0.505 45 A N -0.576 122.334 122.820 0.149 0.000 2.313 45 A HA 0.963 5.283 4.320 -0.000 0.000 0.261 45 A C 0.894 178.522 177.584 0.074 0.000 1.090 45 A CA 0.817 52.943 52.037 0.148 0.000 0.807 45 A CB 0.888 19.956 19.000 0.114 0.000 1.055 45 A HN 2.180 nan 8.150 nan 0.000 0.492 46 A N -0.049 122.805 122.820 0.056 0.000 2.282 46 A HA 0.768 5.088 4.320 -0.000 0.000 0.324 46 A C -0.241 177.361 177.584 0.031 0.000 1.119 46 A CA -0.586 51.471 52.037 0.033 0.000 0.880 46 A CB 0.457 19.469 19.000 0.021 0.000 1.294 46 A HN 0.777 nan 8.150 nan 0.000 0.493 55 A N 0.456 123.279 122.820 0.005 0.000 1.897 55 A HA 0.184 4.504 4.320 -0.000 0.000 0.215 55 A C 2.155 179.741 177.584 0.003 0.000 1.181 55 A CA 2.290 54.329 52.037 0.004 0.000 0.620 55 A CB -0.162 18.840 19.000 0.004 0.000 0.821 55 A HN 1.425 nan 8.150 nan 0.000 0.443 56 V N -4.290 115.626 119.914 0.004 0.000 3.621 56 V HA 0.094 4.214 4.120 -0.000 0.000 0.263 56 V C 1.889 177.985 176.094 0.003 0.000 1.272 56 V CA 1.837 64.139 62.300 0.003 0.000 1.080 56 V CB -0.477 31.349 31.823 0.004 0.000 0.816 56 V HN 0.369 nan 8.190 nan 0.000 0.451 57 T N 0.902 115.458 114.554 0.004 0.000 2.904 57 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 57 T C 1.959 176.659 174.700 0.001 0.000 1.059 57 T CA 2.272 64.374 62.100 0.004 0.000 1.137 57 T CB -0.339 68.532 68.868 0.006 0.000 0.879 57 T HN 0.879 nan 8.240 nan 0.000 0.467 58 E N 1.042 121.243 120.200 0.001 0.000 2.396 58 E HA -0.144 4.206 4.350 -0.000 0.000 0.200 58 E C 1.608 178.207 176.600 -0.002 0.000 1.023 58 E CA 1.667 58.067 56.400 -0.000 0.000 0.857 58 E CB -0.582 29.118 29.700 0.001 0.000 0.775 58 E HN 0.698 nan 8.360 nan 0.000 0.525 59 D N -0.977 119.422 120.400 -0.002 0.000 2.490 59 D HA 0.077 4.717 4.640 -0.000 0.000 0.244 59 D C 0.676 176.973 176.300 -0.005 0.000 0.979 59 D CA 0.021 54.019 54.000 -0.003 0.000 0.924 59 D CB -0.028 40.771 40.800 -0.001 0.000 1.075 59 D HN 0.307 nan 8.370 nan 0.000 0.488 60 R N 1.057 121.555 120.500 -0.004 0.000 2.679 60 R HA 0.314 4.654 4.340 -0.000 0.000 0.268 60 R C -0.169 176.124 176.300 -0.013 0.000 1.044 60 R CA 0.471 56.567 56.100 -0.006 0.000 1.105 60 R CB 0.030 30.328 30.300 -0.003 0.000 0.989 60 R HN -0.041 nan 8.270 nan 0.000 0.447 61 T N 1.929 116.473 114.554 -0.016 0.000 2.771 61 T HA 0.265 4.615 4.350 -0.000 0.000 0.281 61 T C -0.061 174.618 174.700 -0.034 0.000 0.982 61 T CA -0.646 61.439 62.100 -0.026 0.000 0.978 61 T CB 1.683 70.536 68.868 -0.025 0.000 0.930 61 T HN 0.201 nan 8.240 nan 0.000 0.447 62 V N 4.183 124.067 119.914 -0.051 0.000 2.383 62 V HA 0.338 4.458 4.120 -0.000 0.000 0.275 62 V C 1.225 177.255 176.094 -0.107 0.000 1.036 62 V CA -0.439 61.820 62.300 -0.068 0.000 0.889 62 V CB 1.172 32.951 31.823 -0.074 0.000 0.985 62 V HN 1.146 nan 8.190 nan 0.000 0.459 63 T N 0.212 114.704 114.554 -0.103 0.000 3.084 63 T HA 0.519 4.869 4.350 -0.000 0.000 0.270 63 T C 0.476 175.066 174.700 -0.185 0.000 1.008 63 T CA 0.248 62.268 62.100 -0.134 0.000 0.900 63 T CB 0.507 69.338 68.868 -0.063 0.000 1.084 63 T HN 0.966 nan 8.240 nan 0.000 0.538 64 G N 0.177 108.865 108.800 -0.187 0.000 2.632 64 G HA2 0.552 4.512 3.960 -0.000 0.000 0.292 64 G HA3 0.552 4.512 3.960 -0.000 0.000 0.292 64 G C -2.142 172.721 174.900 -0.063 0.000 1.465 64 G CA -0.623 44.410 45.100 -0.111 0.000 0.824 64 G HN 0.251 nan 8.290 nan 0.000 0.509 65 V N 0.032 119.986 119.914 0.067 0.000 2.777 65 V HA 0.854 4.974 4.120 -0.000 0.000 0.306 65 V C -0.307 175.880 176.094 0.156 0.000 1.112 65 V CA -0.439 61.912 62.300 0.086 0.000 0.917 65 V CB 1.887 33.743 31.823 0.055 0.000 1.018 65 V HN 1.185 nan 8.190 nan 0.000 0.426 66 T N 3.902 118.547 114.554 0.151 0.000 2.894 66 T HA 0.524 4.874 4.350 -0.000 0.000 0.309 66 T C -0.201 174.615 174.700 0.194 0.000 1.208 66 T CA -0.397 61.802 62.100 0.165 0.000 1.016 66 T CB 1.783 70.752 68.868 0.168 0.000 1.192 66 T HN 0.858 nan 8.240 nan 0.000 0.491 67 L N 0.656 121.965 121.223 0.143 0.000 2.857 67 L HA 0.739 5.079 4.340 -0.000 0.000 0.249 67 L C 0.394 177.400 176.870 0.225 0.000 1.172 67 L CA -0.727 54.167 54.840 0.089 0.000 0.980 67 L CB -0.335 41.721 42.059 -0.006 0.000 1.299 67 L HN 0.570 nan 8.230 nan 0.000 0.535 68 R N 0.388 121.059 120.500 0.285 0.000 2.412 68 R HA 0.748 5.088 4.340 -0.000 0.000 0.304 68 R C 0.877 177.257 176.300 0.134 0.000 1.066 68 R CA 0.271 56.494 56.100 0.205 0.000 0.923 68 R CB 0.565 30.907 30.300 0.070 0.000 1.156 68 R HN 0.357 nan 8.270 nan 0.000 0.513 69 A N 1.053 123.891 122.820 0.030 0.000 1.940 69 A HA -0.309 4.011 4.320 -0.000 0.000 0.221 69 A C 1.922 179.368 177.584 -0.229 0.000 1.190 69 A CA 2.209 53.972 52.037 -0.457 0.000 0.647 69 A CB -0.178 18.498 19.000 -0.539 0.000 0.821 69 A HN 0.828 nan 8.150 nan 0.000 0.457 70 Q N -0.282 119.441 119.800 -0.127 0.000 2.297 70 Q HA -0.130 4.210 4.340 -0.000 0.000 0.208 70 Q C 0.827 176.796 176.000 -0.052 0.000 0.981 70 Q CA 1.541 57.295 55.803 -0.081 0.000 0.876 70 Q CB -0.192 28.511 28.738 -0.058 0.000 0.921 70 Q HN 0.662 nan 8.270 nan 0.000 0.446 71 D N -0.843 119.540 120.400 -0.029 0.000 2.340 71 D HA -0.006 4.634 4.640 -0.000 0.000 0.220 71 D C -0.134 176.172 176.300 0.010 0.000 1.039 71 D CA 0.058 54.059 54.000 0.002 0.000 0.866 71 D CB 0.193 41.010 40.800 0.028 0.000 0.913 71 D HN 0.137 nan 8.370 nan 0.000 0.523 72 V N 0.179 120.081 119.914 -0.019 0.000 2.521 72 V HA 0.220 4.340 4.120 -0.000 0.000 0.286 72 V C 0.353 176.446 176.094 -0.002 0.000 1.034 72 V CA -0.290 62.008 62.300 -0.003 0.000 1.045 72 V CB 0.974 32.773 31.823 -0.040 0.000 0.974 72 V HN -0.114 nan 8.190 nan 0.000 0.480 73 S N 6.919 122.631 115.700 0.020 0.000 2.652 73 S HA 0.525 4.995 4.470 -0.000 0.000 0.270 73 S C -2.410 172.197 174.600 0.011 0.000 1.243 73 S CA -0.790 57.419 58.200 0.016 0.000 0.999 73 S CB 1.224 64.442 63.200 0.030 0.000 0.973 73 S HN 0.832 nan 8.310 nan 0.000 0.544 74 P HA 0.198 nan 4.420 nan 0.000 0.267 74 P C 0.796 178.099 177.300 0.005 0.000 1.200 74 P CA 0.876 63.977 63.100 0.003 0.000 0.772 74 P CB 0.272 31.973 31.700 0.001 0.000 0.855 75 G N 1.225 110.026 108.800 0.003 0.000 2.205 75 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.261 75 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.261 75 G C -0.039 174.858 174.900 -0.005 0.000 0.980 75 G CA -0.084 45.014 45.100 -0.004 0.000 0.632 75 G HN 0.510 nan 8.290 nan 0.000 0.533 76 D N 0.222 120.630 120.400 0.013 0.000 2.372 76 D HA 0.444 5.084 4.640 -0.000 0.000 0.243 76 D C 0.686 177.015 176.300 0.048 0.000 1.121 76 D CA -0.329 53.687 54.000 0.028 0.000 0.898 76 D CB 0.958 41.794 40.800 0.060 0.000 1.202 76 D HN 0.205 nan 8.370 nan 0.000 0.428 77 L N 3.340 124.590 121.223 0.045 0.000 2.265 77 L HA 0.323 4.663 4.340 -0.000 0.000 0.288 77 L C -0.832 176.129 176.870 0.151 0.000 1.058 77 L CA -0.613 54.269 54.840 0.069 0.000 0.809 77 L CB 0.243 42.309 42.059 0.011 0.000 1.179 77 L HN 0.381 nan 8.230 nan 0.000 0.429 78 F N 5.138 125.096 119.950 0.014 0.000 2.421 78 F HA 0.445 4.972 4.527 -0.000 0.000 0.358 78 F C 0.443 176.264 175.800 0.035 0.000 1.115 78 F CA -0.842 57.175 58.000 0.028 0.000 1.160 78 F CB 1.075 40.097 39.000 0.037 0.000 1.123 78 F HN 0.626 nan 8.300 nan 0.000 0.508 79 A N 6.052 128.669 122.820 -0.338 0.000 2.415 79 A HA 0.586 4.906 4.320 -0.000 0.000 0.309 79 A C -0.034 176.987 177.584 -0.937 0.000 1.356 79 A CA -0.264 51.502 52.037 -0.453 0.000 0.998 79 A CB -0.353 18.523 19.000 -0.206 0.000 1.145 79 A HN 0.969 nan 8.150 nan 0.000 0.545 80 A N 4.535 126.822 122.820 -0.887 0.000 2.527 80 A HA 0.566 4.886 4.320 -0.000 0.000 0.313 80 A C 0.069 177.579 177.584 -0.124 0.000 1.410 80 A CA -0.234 51.445 52.037 -0.598 0.000 1.060 80 A CB -0.407 18.436 19.000 -0.262 0.000 1.137 80 A HN 0.799 nan 8.150 nan 0.000 0.542 81 L N 1.744 122.872 121.223 -0.158 0.000 2.375 81 L HA 0.551 4.891 4.340 -0.000 0.000 0.268 81 L C 1.124 177.705 176.870 -0.482 0.000 1.058 81 L CA -0.788 53.932 54.840 -0.200 0.000 0.803 81 L CB 1.698 43.672 42.059 -0.141 0.000 1.212 81 L HN 0.697 nan 8.230 nan 0.000 0.451 82 T N -1.013 113.137 114.554 -0.673 0.000 2.904 82 T HA 0.658 5.008 4.350 -0.000 0.000 0.290 82 T C 0.019 174.580 174.700 -0.231 0.000 1.018 82 T CA -0.190 61.513 62.100 -0.662 0.000 1.075 82 T CB 1.641 70.213 68.868 -0.494 0.000 0.986 82 T HN 0.793 nan 8.240 nan 0.000 0.523 83 G N 0.332 109.060 108.800 -0.121 0.000 2.866 83 G HA2 0.487 4.447 3.960 -0.000 0.000 0.289 83 G HA3 0.487 4.447 3.960 -0.000 0.000 0.289 83 G C 0.477 175.378 174.900 0.002 0.000 1.396 83 G CA -0.521 44.559 45.100 -0.033 0.000 0.848 83 G HN 0.626 nan 8.290 nan 0.000 0.515 84 S N -0.993 114.723 115.700 0.027 0.000 2.453 84 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 84 S C 2.091 176.714 174.600 0.038 0.000 1.005 84 S CA 1.744 59.967 58.200 0.037 0.000 0.949 84 S CB -0.002 63.230 63.200 0.054 0.000 0.774 84 S HN 0.618 nan 8.310 nan 0.000 0.510 85 T N -0.646 113.933 114.554 0.041 0.000 3.038 85 T HA 0.190 4.540 4.350 -0.000 0.000 0.244 85 T C 0.877 175.618 174.700 0.068 0.000 1.016 85 T CA 0.470 62.600 62.100 0.049 0.000 1.098 85 T CB 0.411 69.307 68.868 0.046 0.000 0.954 85 T HN 0.365 nan 8.240 nan 0.000 0.469 86 T N -0.120 114.483 114.554 0.082 0.000 2.626 86 T HA 0.385 4.735 4.350 -0.000 0.000 0.299 86 T C -2.269 172.518 174.700 0.146 0.000 1.181 86 T CA -0.620 61.558 62.100 0.129 0.000 1.053 86 T CB 1.425 70.405 68.868 0.187 0.000 1.566 86 T HN 0.120 nan 8.240 nan 0.000 0.486 87 H N -0.573 118.563 119.070 0.109 0.000 2.609 87 H HA 0.480 5.036 4.556 -0.000 0.000 0.344 87 H C 1.088 176.524 175.328 0.181 0.000 1.040 87 H CA 0.253 56.362 56.048 0.102 0.000 1.216 87 H CB 1.670 31.469 29.762 0.061 0.000 1.529 87 H HN 0.828 nan 8.280 nan 0.000 0.519 88 G N 2.566 111.658 108.800 0.487 0.000 2.559 88 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 88 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 88 G C 1.422 176.644 174.900 0.538 0.000 1.126 88 G CA 0.582 46.000 45.100 0.531 0.000 0.778 88 G HN 0.653 nan 8.290 nan 0.000 0.543 89 A N 0.865 123.933 122.820 0.412 0.000 2.070 89 A HA -0.003 4.317 4.320 -0.000 0.000 0.220 89 A C 2.228 179.849 177.584 0.062 0.000 1.159 89 A CA 0.915 53.003 52.037 0.085 0.000 0.656 89 A CB -0.214 18.534 19.000 -0.419 0.000 0.800 89 A HN 0.387 nan 8.150 nan 0.000 0.453 90 R N -0.707 119.814 120.500 0.034 0.000 2.363 90 R HA 0.135 4.475 4.340 -0.000 0.000 0.236 90 R C 0.038 176.107 176.300 -0.385 0.000 0.966 90 R CA 0.266 56.263 56.100 -0.171 0.000 1.100 90 R CB -0.016 30.139 30.300 -0.241 0.000 1.125 90 R HN 0.593 nan 8.270 nan 0.000 0.514 91 H N -1.367 117.794 119.070 0.153 0.000 3.007 91 H HA 0.123 4.679 4.556 0.000 0.000 0.251 91 H C 1.320 176.635 175.328 -0.021 0.000 1.188 91 H CA -0.101 55.989 56.048 0.069 0.000 1.017 91 H CB 0.828 30.647 29.762 0.096 0.000 1.805 91 H HN -0.065 nan 8.280 nan 0.000 0.659 92 V N 0.555 120.574 119.914 0.174 0.000 2.332 92 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 92 V C 2.664 178.758 176.094 -0.001 0.000 1.055 92 V CA 2.284 64.660 62.300 0.126 0.000 1.038 92 V CB -0.683 31.241 31.823 0.169 0.000 0.651 92 V HN 0.547 nan 8.190 nan 0.000 0.450 93 G N -0.273 108.525 108.800 -0.004 0.000 2.491 93 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.218 93 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.218 93 G C 1.320 176.193 174.900 -0.045 0.000 1.180 93 G CA 1.367 46.454 45.100 -0.021 0.000 0.774 93 G HN 0.575 nan 8.290 nan 0.000 0.562 94 D N 0.605 120.973 120.400 -0.052 0.000 2.123 94 D HA 0.002 4.642 4.640 -0.000 0.000 0.196 94 D C 2.712 178.919 176.300 -0.155 0.000 0.992 94 D CA 1.675 55.629 54.000 -0.076 0.000 0.833 94 D CB -0.410 40.369 40.800 -0.035 0.000 0.954 94 D HN 0.264 nan 8.370 nan 0.000 0.455 95 A N 0.290 122.935 122.820 -0.292 0.000 1.851 95 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 95 A C 2.486 179.963 177.584 -0.177 0.000 1.195 95 A CA 1.610 53.408 52.037 -0.400 0.000 0.622 95 A CB -1.032 17.433 19.000 -0.892 0.000 0.831 95 A HN 0.378 nan 8.150 nan 0.000 0.444 96 I N -0.074 120.433 120.570 -0.105 0.000 2.151 96 I HA -0.358 3.812 4.170 -0.000 0.000 0.243 96 I C 2.919 179.012 176.117 -0.040 0.000 1.080 96 I CA 1.367 62.644 61.300 -0.039 0.000 1.339 96 I CB -0.346 37.647 38.000 -0.011 0.000 1.039 96 I HN 0.375 nan 8.210 nan 0.000 0.409 97 A N 0.353 123.145 122.820 -0.048 0.000 2.019 97 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 97 A C 2.216 179.777 177.584 -0.039 0.000 1.164 97 A CA 1.268 53.284 52.037 -0.036 0.000 0.644 97 A CB -0.524 18.456 19.000 -0.033 0.000 0.805 97 A HN 0.375 nan 8.150 nan 0.000 0.449 98 R N -1.357 119.108 120.500 -0.057 0.000 2.320 98 R HA 0.212 4.552 4.340 -0.000 0.000 0.211 98 R C 1.079 177.358 176.300 -0.035 0.000 0.931 98 R CA 0.509 56.579 56.100 -0.050 0.000 1.071 98 R CB -0.077 30.181 30.300 -0.070 0.000 1.025 98 R HN 0.661 nan 8.270 nan 0.000 0.495 99 G N 0.271 109.054 108.800 -0.029 0.000 2.141 99 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.231 99 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.231 99 G C 0.233 175.130 174.900 -0.005 0.000 0.984 99 G CA -0.122 44.970 45.100 -0.014 0.000 0.660 99 G HN 0.480 nan 8.290 nan 0.000 0.525 100 A N -0.095 122.721 122.820 -0.007 0.000 2.531 100 A HA 0.555 4.875 4.320 -0.000 0.000 0.236 100 A C 1.660 179.261 177.584 0.029 0.000 1.062 100 A CA 0.981 53.031 52.037 0.022 0.000 0.760 100 A CB 0.560 19.581 19.000 0.035 0.000 0.995 100 A HN 1.673 nan 8.150 nan 0.000 0.501 101 V N -0.947 118.988 119.914 0.034 0.000 3.578 101 V HA 0.636 4.756 4.120 -0.000 0.000 0.290 101 V C 0.470 176.584 176.094 0.033 0.000 1.376 101 V CA 0.588 62.903 62.300 0.024 0.000 1.083 101 V CB -1.400 30.429 31.823 0.011 0.000 0.911 101 V HN 2.112 nan 8.190 nan 0.000 0.433 102 A N -0.720 122.134 122.820 0.056 0.000 2.586 102 A HA 0.658 4.978 4.320 -0.000 0.000 0.298 102 A C -1.290 176.355 177.584 0.101 0.000 1.013 102 A CA -0.242 51.832 52.037 0.060 0.000 0.707 102 A CB 1.060 20.081 19.000 0.036 0.000 1.276 102 A HN 0.495 nan 8.150 nan 0.000 0.414 103 V N 2.608 122.580 119.914 0.096 0.000 2.513 103 V HA 0.620 4.740 4.120 -0.000 0.000 0.299 103 V C -0.324 175.793 176.094 0.039 0.000 1.035 103 V CA -0.686 61.680 62.300 0.110 0.000 0.889 103 V CB 1.757 33.666 31.823 0.144 0.000 0.988 103 V HN 0.829 nan 8.190 nan 0.000 0.440 104 L N 4.522 125.736 121.223 -0.015 0.000 2.294 104 L HA 0.706 5.046 4.340 -0.000 0.000 0.283 104 L C -0.453 176.390 176.870 -0.045 0.000 1.015 104 L CA 0.443 55.268 54.840 -0.025 0.000 0.831 104 L CB 1.372 43.404 42.059 -0.044 0.000 1.217 104 L HN 0.852 nan 8.230 nan 0.000 0.420 105 T N 2.116 116.676 114.554 0.010 0.000 2.841 105 T HA 0.455 4.805 4.350 -0.000 0.000 0.296 105 T C -0.912 173.836 174.700 0.081 0.000 1.166 105 T CA -0.543 61.583 62.100 0.043 0.000 1.007 105 T CB 1.610 70.510 68.868 0.053 0.000 1.253 105 T HN 0.736 nan 8.240 nan 0.000 0.511 106 D N 1.664 122.133 120.400 0.115 0.000 2.433 106 D HA 0.343 4.983 4.640 -0.000 0.000 0.255 106 D C -1.890 174.461 176.300 0.085 0.000 1.226 106 D CA -1.489 52.573 54.000 0.103 0.000 1.015 106 D CB -0.108 40.756 40.800 0.107 0.000 1.091 106 D HN 0.191 nan 8.370 nan 0.000 0.527 107 P HA 0.050 nan 4.420 nan 0.000 0.225 107 P C 1.024 178.346 177.300 0.037 0.000 1.156 107 P CA 1.228 64.348 63.100 0.035 0.000 0.787 107 P CB -0.069 31.643 31.700 0.019 0.000 0.802 108 A N 0.066 122.934 122.820 0.080 0.000 2.019 108 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 108 A C 2.339 179.909 177.584 -0.024 0.000 1.164 108 A CA 1.867 53.958 52.037 0.089 0.000 0.644 108 A CB -1.712 17.403 19.000 0.191 0.000 0.805 108 A HN 0.283 nan 8.150 nan 0.000 0.449 109 G N -0.066 108.725 108.800 -0.015 0.000 2.425 109 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.213 109 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.213 109 G C 1.627 176.438 174.900 -0.148 0.000 1.201 109 G CA 1.632 46.569 45.100 -0.271 0.000 0.799 109 G HN 0.934 nan 8.290 nan 0.000 0.534 110 V N -0.333 119.552 119.914 -0.049 0.000 2.469 110 V HA -0.027 4.093 4.120 -0.000 0.000 0.251 110 V C 2.907 178.976 176.094 -0.040 0.000 1.064 110 V CA 2.003 64.284 62.300 -0.031 0.000 1.066 110 V CB -1.160 30.660 31.823 -0.005 0.000 0.667 110 V HN 0.422 nan 8.190 nan 0.000 0.461 111 A N 0.255 123.047 122.820 -0.046 0.000 1.883 111 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 111 A C 2.213 179.760 177.584 -0.062 0.000 1.186 111 A CA 1.956 53.968 52.037 -0.042 0.000 0.624 111 A CB -0.628 18.354 19.000 -0.030 0.000 0.822 111 A HN 0.611 nan 8.150 nan 0.000 0.444 112 E N -0.197 119.935 120.200 -0.112 0.000 2.012 112 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 112 E C 1.951 178.503 176.600 -0.079 0.000 1.007 112 E CA 1.516 57.844 56.400 -0.121 0.000 0.816 112 E CB -0.593 28.975 29.700 -0.220 0.000 0.762 112 E HN 0.619 nan 8.360 nan 0.000 0.451 113 I N 1.342 121.869 120.570 -0.072 0.000 2.236 113 I HA -0.344 3.826 4.170 -0.000 0.000 0.249 113 I C 1.745 177.847 176.117 -0.025 0.000 1.102 113 I CA 1.271 62.551 61.300 -0.033 0.000 1.365 113 I CB -0.653 37.339 38.000 -0.014 0.000 1.051 113 I HN 0.186 nan 8.210 nan 0.000 0.420 114 A N -0.024 122.779 122.820 -0.027 0.000 5.395 114 A HA -0.263 4.057 4.320 -0.000 0.000 0.324 114 A C 1.295 178.872 177.584 -0.010 0.000 1.813 114 A CA 0.971 52.998 52.037 -0.018 0.000 0.714 114 A CB -2.236 16.753 19.000 -0.018 0.000 1.374 114 A HN 0.804 nan 8.150 nan 0.000 0.390 115 G N -0.179 108.616 108.800 -0.008 0.000 2.224 115 G HA2 0.535 4.495 3.960 -0.000 0.000 0.239 115 G HA3 0.535 4.495 3.960 -0.000 0.000 0.239 115 G C 0.432 175.331 174.900 -0.001 0.000 1.240 115 G CA 1.610 46.708 45.100 -0.004 0.000 0.896 115 G HN 1.984 nan 8.290 nan 0.000 0.496 116 R N 0.940 121.441 120.500 0.002 0.000 2.738 116 R HA 0.688 5.028 4.340 -0.000 0.000 0.268 116 R C 0.913 177.218 176.300 0.009 0.000 1.062 116 R CA 0.303 56.408 56.100 0.007 0.000 1.158 116 R CB -0.052 30.254 30.300 0.009 0.000 1.046 116 R HN 1.789 nan 8.270 nan 0.000 0.493 117 A N 0.340 123.169 122.820 0.015 0.000 2.327 117 A HA 0.545 4.865 4.320 -0.000 0.000 0.255 117 A C 1.883 179.476 177.584 0.016 0.000 1.099 117 A CA 0.312 52.360 52.037 0.018 0.000 0.801 117 A CB -0.062 18.958 19.000 0.033 0.000 1.062 117 A HN 1.807 nan 8.150 nan 0.000 0.496 118 A N 0.280 123.108 122.820 0.013 0.000 1.933 118 A HA 0.187 4.507 4.320 -0.000 0.000 0.218 118 A C 1.259 178.852 177.584 0.015 0.000 1.175 118 A CA 1.818 53.861 52.037 0.011 0.000 0.628 118 A CB -1.476 17.529 19.000 0.007 0.000 0.814 118 A HN 1.824 nan 8.150 nan 0.000 0.444 119 V N -3.934 115.993 119.914 0.022 0.000 3.036 119 V HA 0.498 4.618 4.120 -0.000 0.000 0.308 119 V C -2.790 173.322 176.094 0.029 0.000 1.070 119 V CA -2.685 59.630 62.300 0.026 0.000 1.056 119 V CB 0.135 31.980 31.823 0.036 0.000 1.084 119 V HN 0.116 nan 8.190 nan 0.000 0.471 120 P HA 0.253 nan 4.420 nan 0.000 0.268 120 P C -0.799 176.522 177.300 0.035 0.000 1.204 120 P CA 0.099 63.215 63.100 0.026 0.000 0.768 120 P CB 0.650 32.363 31.700 0.021 0.000 0.842 121 V N 5.270 125.203 119.914 0.032 0.000 2.304 121 V HA 0.160 4.280 4.120 -0.000 0.000 0.278 121 V C 0.078 176.191 176.094 0.031 0.000 1.018 121 V CA -0.625 61.696 62.300 0.036 0.000 0.814 121 V CB 0.768 32.611 31.823 0.033 0.000 1.021 121 V HN 0.364 nan 8.190 nan 0.000 0.440 122 L N 5.677 126.919 121.223 0.032 0.000 2.410 122 L HA 0.342 4.682 4.340 -0.000 0.000 0.273 122 L C 0.093 176.993 176.870 0.050 0.000 1.152 122 L CA 0.637 55.499 54.840 0.037 0.000 0.855 122 L CB 1.254 43.331 42.059 0.029 0.000 1.129 122 L HN 0.398 nan 8.230 nan 0.000 0.463 123 V N 3.184 123.134 119.914 0.060 0.000 2.459 123 V HA 0.452 4.572 4.120 -0.000 0.000 0.295 123 V C -0.249 175.917 176.094 0.120 0.000 1.029 123 V CA -0.734 61.608 62.300 0.070 0.000 0.874 123 V CB 1.363 33.210 31.823 0.039 0.000 0.985 123 V HN 0.673 nan 8.190 nan 0.000 0.438 124 H N 4.930 124.005 119.070 0.008 0.000 2.768 124 H HA 0.515 5.071 4.556 0.000 0.000 0.371 124 H C -2.729 172.605 175.328 0.011 0.000 1.151 124 H CA -2.007 54.045 56.048 0.007 0.000 1.165 124 H CB 3.378 33.142 29.762 0.003 0.000 1.722 124 H HN 0.431 nan 8.280 nan 0.000 0.543 125 P HA 0.112 nan 4.420 nan 0.000 0.274 125 P C -0.637 176.682 177.300 0.032 0.000 1.256 125 P CA 0.126 63.163 63.100 -0.106 0.000 0.795 125 P CB 0.294 31.898 31.700 -0.160 0.000 1.038 126 A N 0.902 123.767 122.820 0.074 0.000 2.364 126 A HA -0.159 4.161 4.320 -0.000 0.000 0.288 126 A C -1.392 176.343 177.584 0.252 0.000 1.433 126 A CA 0.435 52.553 52.037 0.134 0.000 0.757 126 A CB -2.496 16.571 19.000 0.112 0.000 1.098 126 A HN 0.422 nan 8.150 nan 0.000 0.380 127 P HA -0.169 nan 4.420 nan 0.000 0.214 127 P C 1.612 178.915 177.300 0.005 0.000 1.162 127 P CA 1.307 64.452 63.100 0.076 0.000 0.879 127 P CB -0.054 31.665 31.700 0.032 0.000 0.786 128 R N 0.274 120.779 120.500 0.009 0.000 2.204 128 R HA -0.133 4.207 4.340 -0.000 0.000 0.253 128 R C 1.709 178.019 176.300 0.016 0.000 1.172 128 R CA 1.972 58.073 56.100 0.003 0.000 0.994 128 R CB -1.271 29.034 30.300 0.009 0.000 0.874 128 R HN 0.175 nan 8.270 nan 0.000 0.462 129 G N -0.781 108.041 108.800 0.035 0.000 3.383 129 G HA2 0.194 4.154 3.960 -0.000 0.000 0.251 129 G HA3 0.194 4.154 3.960 -0.000 0.000 0.251 129 G C 0.521 175.433 174.900 0.019 0.000 1.203 129 G CA 0.061 45.188 45.100 0.044 0.000 0.852 129 G HN 0.255 nan 8.290 nan 0.000 0.531 130 V N -0.753 119.138 119.914 -0.039 0.000 3.406 130 V HA 0.138 4.258 4.120 -0.000 0.000 0.266 130 V C 1.823 177.859 176.094 -0.096 0.000 1.697 130 V CA -0.000 62.238 62.300 -0.102 0.000 1.046 130 V CB 0.226 31.874 31.823 -0.292 0.000 0.879 130 V HN 0.213 nan 8.190 nan 0.000 0.399 131 L N 1.766 122.947 121.223 -0.069 0.000 2.043 131 L HA -0.005 4.335 4.340 -0.000 0.000 0.212 131 L C 2.242 179.103 176.870 -0.016 0.000 1.075 131 L CA 2.978 57.791 54.840 -0.046 0.000 0.752 131 L CB -1.255 40.786 42.059 -0.030 0.000 0.891 131 L HN 0.356 nan 8.230 nan 0.000 0.432 132 G N -1.424 107.376 108.800 0.000 0.000 2.433 132 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 132 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 132 G C 1.549 176.460 174.900 0.019 0.000 1.186 132 G CA 0.623 45.735 45.100 0.019 0.000 0.779 132 G HN 0.575 nan 8.290 nan 0.000 0.543 133 G N 0.557 109.366 108.800 0.015 0.000 2.422 133 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.218 133 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.218 133 G C 1.803 176.699 174.900 -0.006 0.000 1.146 133 G CA 0.660 45.776 45.100 0.026 0.000 0.769 133 G HN 0.410 nan 8.290 nan 0.000 0.547 134 L N 0.387 121.590 121.223 -0.033 0.000 2.027 134 L HA -0.036 4.304 4.340 -0.000 0.000 0.206 134 L C 3.430 180.259 176.870 -0.067 0.000 1.074 134 L CA 1.084 55.889 54.840 -0.059 0.000 0.745 134 L CB -0.403 41.613 42.059 -0.071 0.000 0.898 134 L HN 0.323 nan 8.230 nan 0.000 0.433 135 A N -0.090 122.721 122.820 -0.016 0.000 1.902 135 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 135 A C 2.492 180.121 177.584 0.075 0.000 1.181 135 A CA 1.727 53.800 52.037 0.059 0.000 0.623 135 A CB -0.750 18.339 19.000 0.148 0.000 0.818 135 A HN 0.443 nan 8.150 nan 0.000 0.443 136 A N -1.226 121.597 122.820 0.004 0.000 1.948 136 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 136 A C 2.303 179.630 177.584 -0.428 0.000 1.177 136 A CA 2.485 54.471 52.037 -0.084 0.000 0.636 136 A CB -1.111 17.894 19.000 0.009 0.000 0.815 136 A HN 0.444 nan 8.150 nan 0.000 0.449 137 T N -1.076 113.231 114.554 -0.412 0.000 2.852 137 T HA -0.056 4.294 4.350 -0.000 0.000 0.256 137 T C 1.984 176.480 174.700 -0.340 0.000 1.038 137 T CA 1.401 63.186 62.100 -0.524 0.000 1.141 137 T CB -0.433 68.313 68.868 -0.204 0.000 0.869 137 T HN 0.509 nan 8.240 nan 0.000 0.439 138 V N 0.277 120.015 119.914 -0.292 0.000 2.490 138 V HA -0.138 3.982 4.120 -0.000 0.000 0.250 138 V C 1.441 177.285 176.094 -0.417 0.000 1.061 138 V CA 1.525 63.602 62.300 -0.371 0.000 1.064 138 V CB -0.795 30.767 31.823 -0.434 0.000 0.670 138 V HN 0.595 nan 8.190 nan 0.000 0.461 139 Y N 1.424 121.639 120.300 -0.141 0.000 2.493 139 Y HA 0.575 5.125 4.550 -0.000 0.000 0.275 139 Y C 1.813 177.641 175.900 -0.120 0.000 1.183 139 Y CA -0.129 57.907 58.100 -0.107 0.000 1.258 139 Y CB -0.130 38.279 38.460 -0.086 0.000 1.108 139 Y HN 0.418 nan 8.280 nan 0.000 0.521 140 G N 0.505 109.247 108.800 -0.097 0.000 2.176 140 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.252 140 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.252 140 G C -0.167 174.747 174.900 0.022 0.000 1.024 140 G CA 0.302 45.365 45.100 -0.062 0.000 0.755 140 G HN 0.650 nan 8.290 nan 0.000 0.507 141 H N -2.593 116.498 119.070 0.035 0.000 2.819 141 H HA -0.142 4.414 4.556 -0.000 0.000 0.323 141 H C -0.528 174.794 175.328 -0.009 0.000 1.243 141 H CA 1.062 57.114 56.048 0.007 0.000 1.163 141 H CB -1.625 28.133 29.762 -0.007 0.000 1.493 141 H HN 0.543 nan 8.280 nan 0.000 0.434 142 P HA -0.161 nan 4.420 nan 0.000 0.218 142 P C 1.440 178.732 177.300 -0.014 0.000 1.146 142 P CA 1.865 64.974 63.100 0.016 0.000 0.813 142 P CB 0.037 31.726 31.700 -0.020 0.000 0.778 143 S N -0.265 115.418 115.700 -0.028 0.000 2.515 143 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 143 S C 1.548 176.110 174.600 -0.063 0.000 0.987 143 S CA 0.490 58.638 58.200 -0.086 0.000 0.936 143 S CB -0.732 62.371 63.200 -0.163 0.000 0.766 143 S HN 0.305 nan 8.310 nan 0.000 0.528 144 E N 1.128 121.317 120.200 -0.018 0.000 2.502 144 E HA 0.077 4.427 4.350 -0.000 0.000 0.194 144 E C 1.019 177.609 176.600 -0.016 0.000 1.062 144 E CA 0.120 56.506 56.400 -0.023 0.000 0.867 144 E CB 0.103 29.791 29.700 -0.021 0.000 0.888 144 E HN 0.535 nan 8.360 nan 0.000 0.510 145 R N 0.163 120.654 120.500 -0.015 0.000 2.535 145 R HA 0.333 4.673 4.340 -0.000 0.000 0.323 145 R C 0.348 176.633 176.300 -0.025 0.000 0.979 145 R CA 0.048 56.140 56.100 -0.014 0.000 1.120 145 R CB 1.073 31.371 30.300 -0.004 0.000 1.306 145 R HN 0.006 nan 8.270 nan 0.000 0.540 146 L N 0.675 121.875 121.223 -0.039 0.000 2.388 146 L HA 0.405 4.745 4.340 -0.000 0.000 0.264 146 L C -0.372 176.468 176.870 -0.050 0.000 0.998 146 L CA -0.782 54.030 54.840 -0.046 0.000 0.817 146 L CB 2.735 44.757 42.059 -0.061 0.000 1.338 146 L HN -0.180 nan 8.230 nan 0.000 0.414 147 T N 2.064 116.595 114.554 -0.039 0.000 2.723 147 T HA 0.325 4.675 4.350 -0.000 0.000 0.297 147 T C -0.152 174.525 174.700 -0.039 0.000 0.925 147 T CA -0.189 61.892 62.100 -0.031 0.000 1.030 147 T CB 0.723 69.582 68.868 -0.015 0.000 0.905 147 T HN 0.142 nan 8.240 nan 0.000 0.502 148 V N 5.932 125.812 119.914 -0.057 0.000 2.398 148 V HA 0.478 4.598 4.120 -0.000 0.000 0.286 148 V C 0.009 176.135 176.094 0.052 0.000 1.026 148 V CA -0.752 61.508 62.300 -0.068 0.000 0.868 148 V CB 1.392 33.069 31.823 -0.244 0.000 0.982 148 V HN 0.770 nan 8.190 nan 0.000 0.443 149 I N 4.030 124.659 120.570 0.098 0.000 2.362 149 I HA 0.593 4.763 4.170 -0.000 0.000 0.289 149 I C 0.657 176.904 176.117 0.217 0.000 0.994 149 I CA -0.209 61.180 61.300 0.147 0.000 1.158 149 I CB 1.842 39.882 38.000 0.065 0.000 1.315 149 I HN 0.698 nan 8.210 nan 0.000 0.451 150 G N 7.379 116.333 108.800 0.257 0.000 2.370 150 G HA2 0.718 4.678 3.960 -0.000 0.000 0.317 150 G HA3 0.718 4.678 3.960 -0.000 0.000 0.317 150 G C -0.693 174.186 174.900 -0.035 0.000 1.162 150 G CA -0.377 44.778 45.100 0.090 0.000 0.922 150 G HN 0.488 nan 8.290 nan 0.000 0.454 151 I N 1.990 122.564 120.570 0.007 0.000 2.355 151 I HA 0.359 4.529 4.170 -0.000 0.000 0.288 151 I C 0.359 176.480 176.117 0.007 0.000 0.999 151 I CA -0.475 60.836 61.300 0.018 0.000 1.163 151 I CB 2.160 40.173 38.000 0.022 0.000 1.316 151 I HN 0.402 nan 8.210 nan 0.000 0.454 152 T N 3.911 118.484 114.554 0.033 0.000 2.940 152 T HA 0.924 5.274 4.350 -0.000 0.000 0.288 152 T C -0.381 174.230 174.700 -0.149 0.000 1.045 152 T CA -0.264 61.839 62.100 0.006 0.000 1.018 152 T CB 1.847 70.766 68.868 0.084 0.000 1.151 152 T HN 0.993 nan 8.240 nan 0.000 0.529 153 G N 0.734 109.407 108.800 -0.212 0.000 2.321 153 G HA2 0.164 4.124 3.960 -0.000 0.000 0.339 153 G HA3 0.164 4.124 3.960 -0.000 0.000 0.339 153 G C 0.454 175.239 174.900 -0.193 0.000 1.518 153 G CA 0.156 44.983 45.100 -0.454 0.000 0.994 153 G HN 0.683 nan 8.290 nan 0.000 0.668 154 T N 0.415 114.861 114.554 -0.181 0.000 2.674 154 T HA 0.151 4.501 4.350 -0.000 0.000 0.265 154 T C 1.268 175.978 174.700 0.017 0.000 1.039 154 T CA 2.020 64.142 62.100 0.036 0.000 1.150 154 T CB -0.191 68.733 68.868 0.093 0.000 0.864 154 T HN 0.672 nan 8.240 nan 0.000 0.427 155 S N -1.691 113.958 115.700 -0.086 0.000 2.570 155 S HA 0.549 5.019 4.470 -0.000 0.000 0.286 155 S C 0.777 175.292 174.600 -0.140 0.000 1.099 155 S CA -0.184 57.956 58.200 -0.101 0.000 0.913 155 S CB 1.924 65.020 63.200 -0.175 0.000 1.085 155 S HN 0.622 nan 8.310 nan 0.000 0.480 156 G N 1.402 110.138 108.800 -0.107 0.000 2.157 156 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.239 156 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.239 156 G C 0.679 175.551 174.900 -0.046 0.000 0.982 156 G CA 0.566 45.612 45.100 -0.090 0.000 0.650 156 G HN 0.611 nan 8.290 nan 0.000 0.527 157 K N -0.329 120.054 120.400 -0.029 0.000 2.002 157 K HA -0.048 4.272 4.320 -0.000 0.000 0.209 157 K C 2.595 179.214 176.600 0.031 0.000 1.048 157 K CA 1.827 58.114 56.287 0.000 0.000 0.930 157 K CB -0.372 32.139 32.500 0.018 0.000 0.714 157 K HN 0.339 nan 8.250 nan 0.000 0.438 158 T N 0.891 115.464 114.554 0.031 0.000 2.708 158 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 158 T C 2.001 176.745 174.700 0.073 0.000 1.037 158 T CA 1.848 63.974 62.100 0.043 0.000 1.146 158 T CB -0.397 68.441 68.868 -0.051 0.000 0.865 158 T HN 0.282 nan 8.240 nan 0.000 0.435 159 T N 1.857 116.418 114.554 0.012 0.000 2.622 159 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 159 T C 2.294 177.045 174.700 0.084 0.000 1.047 159 T CA 1.765 63.880 62.100 0.026 0.000 1.159 159 T CB -0.888 67.987 68.868 0.012 0.000 0.863 159 T HN 0.363 nan 8.240 nan 0.000 0.422 160 T N 2.178 116.762 114.554 0.050 0.000 2.759 160 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 160 T C 2.451 177.183 174.700 0.053 0.000 1.042 160 T CA 1.910 64.034 62.100 0.039 0.000 1.140 160 T CB -0.796 68.076 68.868 0.007 0.000 0.864 160 T HN 0.752 nan 8.240 nan 0.000 0.455 161 T N -0.310 114.289 114.554 0.075 0.000 2.746 161 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 161 T C 1.743 176.462 174.700 0.031 0.000 1.039 161 T CA 1.072 63.201 62.100 0.049 0.000 1.142 161 T CB -0.917 67.980 68.868 0.048 0.000 0.866 161 T HN 0.446 nan 8.240 nan 0.000 0.444 162 Y N 1.533 121.815 120.300 -0.029 0.000 2.181 162 Y HA 0.073 4.623 4.550 0.000 0.000 0.288 162 Y C 2.489 178.378 175.900 -0.018 0.000 1.146 162 Y CA 0.998 59.081 58.100 -0.028 0.000 1.164 162 Y CB -0.349 38.090 38.460 -0.035 0.000 0.982 162 Y HN 0.146 nan 8.280 nan 0.000 0.515 163 L N -1.325 119.978 121.223 0.133 0.000 1.994 163 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 163 L C 2.293 179.173 176.870 0.016 0.000 1.071 163 L CA 1.043 55.924 54.840 0.068 0.000 0.745 163 L CB -0.895 41.199 42.059 0.058 0.000 0.892 163 L HN 0.045 nan 8.230 nan 0.000 0.431 164 V N -0.268 119.645 119.914 -0.002 0.000 2.282 164 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 164 V C 2.581 178.648 176.094 -0.045 0.000 1.057 164 V CA 2.065 64.347 62.300 -0.029 0.000 1.032 164 V CB -0.588 31.218 31.823 -0.029 0.000 0.645 164 V HN 0.518 nan 8.190 nan 0.000 0.447 165 E N 0.089 120.244 120.200 -0.074 0.000 2.153 165 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 165 E C 2.208 178.764 176.600 -0.074 0.000 0.988 165 E CA 1.415 57.751 56.400 -0.107 0.000 0.811 165 E CB -0.042 29.527 29.700 -0.218 0.000 0.746 165 E HN 0.570 nan 8.360 nan 0.000 0.466 166 A N 0.548 123.343 122.820 -0.042 0.000 1.897 166 A HA 0.005 4.325 4.320 -0.000 0.000 0.215 166 A C 2.421 179.997 177.584 -0.013 0.000 1.181 166 A CA 1.471 53.500 52.037 -0.013 0.000 0.620 166 A CB -0.909 18.105 19.000 0.022 0.000 0.821 166 A HN 0.380 nan 8.150 nan 0.000 0.443 167 G N 0.059 108.849 108.800 -0.016 0.000 2.433 167 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 167 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 167 G C 1.392 176.280 174.900 -0.021 0.000 1.186 167 G CA 1.178 46.267 45.100 -0.019 0.000 0.779 167 G HN 0.307 nan 8.290 nan 0.000 0.543 168 L N 0.611 121.817 121.223 -0.028 0.000 2.021 168 L HA -0.087 4.253 4.340 -0.000 0.000 0.215 168 L C 2.969 179.824 176.870 -0.025 0.000 1.074 168 L CA 1.675 56.498 54.840 -0.028 0.000 0.760 168 L CB -0.943 41.093 42.059 -0.038 0.000 0.889 168 L HN 0.215 nan 8.230 nan 0.000 0.433 169 R N -1.480 119.004 120.500 -0.028 0.000 2.090 169 R HA -0.037 4.303 4.340 -0.000 0.000 0.228 169 R C 2.199 178.491 176.300 -0.013 0.000 1.110 169 R CA 1.048 57.134 56.100 -0.023 0.000 0.973 169 R CB -0.423 29.860 30.300 -0.027 0.000 0.869 169 R HN 0.388 nan 8.270 nan 0.000 0.440 170 A N 1.014 123.829 122.820 -0.009 0.000 1.978 170 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 170 A C 2.000 179.583 177.584 -0.002 0.000 1.170 170 A CA 1.797 53.832 52.037 -0.003 0.000 0.636 170 A CB -0.344 18.655 19.000 -0.000 0.000 0.810 170 A HN 0.379 nan 8.150 nan 0.000 0.448 171 A N -1.598 121.220 122.820 -0.004 0.000 2.379 171 A HA 0.462 4.782 4.320 -0.000 0.000 0.236 171 A C 1.450 179.032 177.584 -0.003 0.000 1.272 171 A CA 0.856 52.892 52.037 -0.001 0.000 0.886 171 A CB -1.043 17.956 19.000 -0.002 0.000 0.962 171 A HN 1.886 nan 8.150 nan 0.000 0.504 172 G N 0.373 109.169 108.800 -0.006 0.000 2.272 172 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.280 172 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.280 172 G C -0.074 174.820 174.900 -0.009 0.000 1.067 172 G CA 0.072 45.168 45.100 -0.007 0.000 0.902 172 G HN 0.527 nan 8.290 nan 0.000 0.500 173 R N -0.549 119.943 120.500 -0.013 0.000 2.562 173 R HA 0.520 4.860 4.340 -0.000 0.000 0.298 173 R C 0.127 176.414 176.300 -0.022 0.000 0.961 173 R CA -0.878 55.212 56.100 -0.016 0.000 0.881 173 R CB 2.053 32.343 30.300 -0.017 0.000 1.159 173 R HN 0.115 nan 8.270 nan 0.000 0.450 174 V N 2.232 122.132 119.914 -0.022 0.000 2.521 174 V HA 0.323 4.443 4.120 -0.000 0.000 0.286 174 V C 0.492 176.565 176.094 -0.034 0.000 1.034 174 V CA -0.091 62.193 62.300 -0.028 0.000 1.045 174 V CB 0.892 32.700 31.823 -0.025 0.000 0.974 174 V HN 0.886 nan 8.190 nan 0.000 0.480 175 A N 4.083 126.876 122.820 -0.044 0.000 2.435 175 A HA 0.892 5.212 4.320 -0.000 0.000 0.304 175 A C 0.090 177.635 177.584 -0.064 0.000 1.064 175 A CA -0.154 51.850 52.037 -0.054 0.000 0.727 175 A CB 1.794 20.755 19.000 -0.064 0.000 1.284 175 A HN 1.004 nan 8.150 nan 0.000 0.415 176 G N 0.039 108.800 108.800 -0.065 0.000 2.417 176 G HA2 0.594 4.554 3.960 -0.000 0.000 0.334 176 G HA3 0.594 4.554 3.960 -0.000 0.000 0.334 176 G C -1.032 173.815 174.900 -0.088 0.000 1.150 176 G CA -0.492 44.565 45.100 -0.072 0.000 0.923 176 G HN 0.759 nan 8.290 nan 0.000 0.485 177 L N 0.582 121.743 121.223 -0.103 0.000 2.354 177 L HA 0.722 5.062 4.340 -0.000 0.000 0.264 177 L C -0.904 175.923 176.870 -0.071 0.000 1.008 177 L CA -1.061 53.708 54.840 -0.118 0.000 0.819 177 L CB 2.247 44.169 42.059 -0.227 0.000 1.339 177 L HN 0.362 nan 8.230 nan 0.000 0.420 178 I N 2.333 122.879 120.570 -0.041 0.000 2.586 178 I HA 0.702 4.872 4.170 -0.000 0.000 0.288 178 I C -0.198 175.926 176.117 0.013 0.000 1.147 178 I CA -0.387 60.906 61.300 -0.012 0.000 1.047 178 I CB 1.926 39.922 38.000 -0.007 0.000 1.244 178 I HN 0.709 nan 8.210 nan 0.000 0.429 179 G N 2.686 111.500 108.800 0.024 0.000 2.322 179 G HA2 0.220 4.180 3.960 -0.000 0.000 0.295 179 G HA3 0.220 4.180 3.960 -0.000 0.000 0.295 179 G C 0.140 175.064 174.900 0.041 0.000 1.369 179 G CA -0.012 45.113 45.100 0.042 0.000 0.821 179 G HN 0.426 nan 8.290 nan 0.000 0.536 180 T N 0.759 115.334 114.554 0.035 0.000 2.565 180 T HA -0.219 4.131 4.350 -0.000 0.000 0.265 180 T C 2.399 177.100 174.700 0.000 0.000 1.082 180 T CA 2.148 64.268 62.100 0.033 0.000 1.173 180 T CB -0.467 68.416 68.868 0.026 0.000 0.864 180 T HN 0.435 nan 8.240 nan 0.000 0.425 181 I N 1.057 121.532 120.570 -0.158 0.000 2.315 181 I HA 0.011 4.181 4.170 -0.000 0.000 0.251 181 I C 1.637 177.793 176.117 0.064 0.000 1.125 181 I CA 1.093 62.286 61.300 -0.179 0.000 1.392 181 I CB -0.696 37.096 38.000 -0.347 0.000 1.065 181 I HN 0.554 nan 8.210 nan 0.000 0.424 182 G N 0.062 108.897 108.800 0.058 0.000 2.398 182 G HA2 0.345 4.305 3.960 -0.000 0.000 0.251 182 G HA3 0.345 4.305 3.960 -0.000 0.000 0.251 182 G C -1.791 173.126 174.900 0.028 0.000 1.277 182 G CA -0.746 44.387 45.100 0.054 0.000 0.927 182 G HN -0.062 nan 8.290 nan 0.000 0.477 183 I N 0.329 120.906 120.570 0.012 0.000 2.582 183 I HA 0.635 4.805 4.170 -0.000 0.000 0.292 183 I C -0.131 175.972 176.117 -0.024 0.000 1.066 183 I CA -0.470 60.822 61.300 -0.013 0.000 1.053 183 I CB 2.379 40.368 38.000 -0.017 0.000 1.241 183 I HN 0.434 nan 8.210 nan 0.000 0.421 184 R N 4.721 125.191 120.500 -0.050 0.000 2.388 184 R HA 0.586 4.926 4.340 -0.000 0.000 0.314 184 R C -1.302 174.963 176.300 -0.057 0.000 0.959 184 R CA -0.648 55.418 56.100 -0.057 0.000 0.851 184 R CB 1.812 32.057 30.300 -0.091 0.000 1.168 184 R HN 0.306 nan 8.270 nan 0.000 0.472 185 V N 4.359 124.247 119.914 -0.043 0.000 2.221 185 V HA 0.258 4.378 4.120 -0.000 0.000 0.258 185 V C 1.280 177.351 176.094 -0.038 0.000 1.179 185 V CA 0.523 62.798 62.300 -0.042 0.000 1.022 185 V CB -0.034 31.767 31.823 -0.036 0.000 1.228 185 V HN 1.145 nan 8.190 nan 0.000 0.487 186 G N 4.830 113.604 108.800 -0.045 0.000 2.815 186 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.326 186 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.326 186 G C 1.108 175.986 174.900 -0.037 0.000 1.191 186 G CA 0.740 45.815 45.100 -0.040 0.000 0.965 186 G HN 1.007 nan 8.290 nan 0.000 0.564 187 G N 1.022 109.806 108.800 -0.027 0.000 2.545 187 G HA2 0.561 4.521 3.960 -0.000 0.000 0.212 187 G HA3 0.561 4.521 3.960 -0.000 0.000 0.212 187 G C 1.192 176.082 174.900 -0.016 0.000 1.144 187 G CA 1.641 46.729 45.100 -0.019 0.000 0.813 187 G HN 1.889 nan 8.290 nan 0.000 0.531 188 A N 0.102 122.912 122.820 -0.017 0.000 2.521 188 A HA 0.413 4.733 4.320 -0.000 0.000 0.237 188 A C 0.021 177.598 177.584 -0.013 0.000 1.087 188 A CA 0.503 52.531 52.037 -0.014 0.000 0.777 188 A CB 0.196 19.186 19.000 -0.017 0.000 1.035 188 A HN 0.160 nan 8.150 nan 0.000 0.510 189 D N 0.645 121.042 120.400 -0.005 0.000 3.118 189 D HA 0.251 4.891 4.640 -0.000 0.000 0.286 189 D C -0.495 175.810 176.300 0.009 0.000 1.255 189 D CA -0.091 53.912 54.000 0.004 0.000 0.748 189 D CB 0.153 40.962 40.800 0.014 0.000 1.332 189 D HN 0.461 nan 8.370 nan 0.000 0.575 190 L N 1.027 122.252 121.223 0.002 0.000 2.464 190 L HA 0.402 4.742 4.340 -0.000 0.000 0.264 190 L C -1.992 174.888 176.870 0.015 0.000 1.199 190 L CA -1.252 53.590 54.840 0.004 0.000 0.818 190 L CB -0.008 42.048 42.059 -0.005 0.000 1.102 190 L HN -0.021 nan 8.230 nan 0.000 0.473 191 P HA 0.262 nan 4.420 nan 0.000 0.290 191 P C -1.350 175.964 177.300 0.025 0.000 1.283 191 P CA -0.698 62.420 63.100 0.030 0.000 0.869 191 P CB 1.751 33.469 31.700 0.029 0.000 1.100 192 S N 0.041 115.762 115.700 0.036 0.000 2.472 192 S HA 0.654 5.124 4.470 -0.000 0.000 0.303 192 S C 0.939 175.559 174.600 0.033 0.000 1.099 192 S CA -0.337 57.880 58.200 0.028 0.000 1.077 192 S CB 1.622 64.841 63.200 0.032 0.000 1.031 192 S HN 0.459 nan 8.310 nan 0.000 0.487 193 A N 3.374 126.205 122.820 0.019 0.000 1.855 193 A HA 0.334 4.654 4.320 -0.000 0.000 0.213 193 A C 0.772 178.366 177.584 0.016 0.000 1.195 193 A CA 0.530 52.576 52.037 0.015 0.000 0.610 193 A CB -0.628 18.373 19.000 0.002 0.000 0.837 193 A HN 0.820 nan 8.150 nan 0.000 0.444 194 L N -2.206 119.020 121.223 0.005 0.000 2.332 194 L HA 0.357 4.697 4.340 -0.000 0.000 0.269 194 L C 1.389 178.269 176.870 0.017 0.000 1.016 194 L CA -0.583 54.254 54.840 -0.006 0.000 0.809 194 L CB 1.211 43.250 42.059 -0.033 0.000 1.280 194 L HN 0.101 nan 8.230 nan 0.000 0.447 195 T N -0.900 113.666 114.554 0.021 0.000 2.812 195 T HA -0.047 4.303 4.350 -0.000 0.000 0.264 195 T C 0.517 175.236 174.700 0.032 0.000 1.042 195 T CA 1.228 63.354 62.100 0.043 0.000 1.140 195 T CB -0.019 68.890 68.868 0.068 0.000 0.870 195 T HN 0.602 nan 8.240 nan 0.000 0.445 196 T N 3.350 117.916 114.554 0.018 0.000 2.847 196 T HA 0.457 4.807 4.350 -0.000 0.000 0.291 196 T C -2.774 171.930 174.700 0.007 0.000 0.998 196 T CA -1.357 60.757 62.100 0.024 0.000 0.967 196 T CB 2.074 70.967 68.868 0.040 0.000 0.954 196 T HN -0.033 nan 8.240 nan 0.000 0.441 197 P HA 0.221 nan 4.420 nan 0.000 0.274 197 P C 0.151 177.450 177.300 -0.000 0.000 1.231 197 P CA -0.606 62.491 63.100 -0.004 0.000 0.790 197 P CB 0.552 32.245 31.700 -0.011 0.000 0.951 198 E N 0.774 120.972 120.200 -0.003 0.000 2.459 198 E HA -0.063 4.287 4.350 -0.000 0.000 0.264 198 E C 1.484 178.089 176.600 0.008 0.000 1.055 198 E CA 0.304 56.707 56.400 0.004 0.000 0.957 198 E CB 0.265 29.967 29.700 0.004 0.000 0.952 198 E HN 0.465 nan 8.360 nan 0.000 0.448 199 A N 5.026 127.856 122.820 0.017 0.000 1.892 199 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 199 A C -0.495 177.103 177.584 0.024 0.000 1.188 199 A CA 1.668 53.718 52.037 0.021 0.000 0.631 199 A CB -1.409 17.607 19.000 0.026 0.000 0.822 199 A HN 0.445 nan 8.150 nan 0.000 0.447 200 P HA -0.073 nan 4.420 nan 0.000 0.216 200 P C 1.551 178.852 177.300 0.001 0.000 1.153 200 P CA 1.707 64.860 63.100 0.087 0.000 0.848 200 P CB -0.265 31.502 31.700 0.112 0.000 0.787 201 T N 0.103 114.647 114.554 -0.018 0.000 2.684 201 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 201 T C 1.687 176.324 174.700 -0.104 0.000 1.036 201 T CA 1.139 63.201 62.100 -0.063 0.000 1.148 201 T CB -0.979 67.870 68.868 -0.033 0.000 0.863 201 T HN -0.035 nan 8.240 nan 0.000 0.436 202 L N 1.280 122.462 121.223 -0.068 0.000 1.989 202 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 202 L C 2.518 179.314 176.870 -0.123 0.000 1.071 202 L CA 1.819 56.616 54.840 -0.073 0.000 0.749 202 L CB -0.754 41.285 42.059 -0.034 0.000 0.890 202 L HN 0.144 nan 8.230 nan 0.000 0.431 203 Q N -0.478 119.247 119.800 -0.124 0.000 2.084 203 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 203 Q C 2.319 178.093 176.000 -0.376 0.000 0.978 203 Q CA 1.795 57.509 55.803 -0.147 0.000 0.844 203 Q CB -0.813 27.930 28.738 0.007 0.000 0.898 203 Q HN 0.660 nan 8.270 nan 0.000 0.426 204 A N 0.568 122.988 122.820 -0.668 0.000 1.902 204 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 204 A C 2.240 179.571 177.584 -0.421 0.000 1.181 204 A CA 1.591 53.059 52.037 -0.948 0.000 0.623 204 A CB -0.553 17.903 19.000 -0.906 0.000 0.818 204 A HN 0.310 nan 8.150 nan 0.000 0.443 205 M N -0.631 118.813 119.600 -0.261 0.000 2.082 205 M HA -0.169 4.311 4.480 -0.000 0.000 0.258 205 M C 2.118 178.333 176.300 -0.141 0.000 1.069 205 M CA 1.626 56.830 55.300 -0.159 0.000 1.102 205 M CB -0.438 32.095 32.600 -0.112 0.000 1.336 205 M HN 0.425 nan 8.290 nan 0.000 0.404 206 L N -0.776 120.359 121.223 -0.147 0.000 2.046 206 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 206 L C 2.726 179.535 176.870 -0.102 0.000 1.077 206 L CA 1.263 56.035 54.840 -0.113 0.000 0.747 206 L CB -0.919 41.074 42.059 -0.111 0.000 0.896 206 L HN 0.345 nan 8.230 nan 0.000 0.432 207 A N 0.031 122.769 122.820 -0.137 0.000 1.908 207 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 207 A C 2.511 180.054 177.584 -0.067 0.000 1.181 207 A CA 1.867 53.851 52.037 -0.087 0.000 0.627 207 A CB -0.705 18.232 19.000 -0.106 0.000 0.818 207 A HN 0.424 nan 8.150 nan 0.000 0.445 208 A N -0.797 121.966 122.820 -0.095 0.000 1.930 208 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 208 A C 2.219 179.772 177.584 -0.050 0.000 1.175 208 A CA 1.698 53.696 52.037 -0.065 0.000 0.627 208 A CB -0.510 18.444 19.000 -0.076 0.000 0.815 208 A HN 0.534 nan 8.150 nan 0.000 0.443 209 M N -0.788 118.777 119.600 -0.058 0.000 2.296 209 M HA -0.096 4.384 4.480 -0.000 0.000 0.265 209 M C 1.977 178.254 176.300 -0.038 0.000 1.064 209 M CA 0.906 56.177 55.300 -0.049 0.000 1.109 209 M CB -0.269 32.298 32.600 -0.056 0.000 1.396 209 M HN 0.263 nan 8.290 nan 0.000 0.430 210 V N 0.534 120.426 119.914 -0.036 0.000 2.307 210 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 210 V C 2.065 178.148 176.094 -0.018 0.000 1.045 210 V CA 1.847 64.133 62.300 -0.024 0.000 1.024 210 V CB -0.647 31.166 31.823 -0.016 0.000 0.651 210 V HN 0.475 nan 8.190 nan 0.000 0.449 211 E N -0.178 120.012 120.200 -0.017 0.000 2.110 211 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 211 E C 2.179 178.771 176.600 -0.014 0.000 0.988 211 E CA 0.695 57.089 56.400 -0.011 0.000 0.804 211 E CB -0.165 29.530 29.700 -0.009 0.000 0.745 211 E HN 0.377 nan 8.360 nan 0.000 0.458 212 R N -0.171 120.317 120.500 -0.020 0.000 2.328 212 R HA -0.010 4.330 4.340 -0.000 0.000 0.200 212 R C 1.025 177.313 176.300 -0.020 0.000 0.983 212 R CA 0.717 56.805 56.100 -0.020 0.000 1.062 212 R CB 0.241 30.526 30.300 -0.025 0.000 0.956 212 R HN 0.367 nan 8.270 nan 0.000 0.479 213 G N 0.578 109.367 108.800 -0.019 0.000 2.179 213 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 213 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 213 G C 0.325 175.213 174.900 -0.020 0.000 0.977 213 G CA 0.250 45.339 45.100 -0.017 0.000 0.641 213 G HN 0.185 nan 8.290 nan 0.000 0.533 214 V N 2.369 122.267 119.914 -0.026 0.000 2.617 214 V HA 0.167 4.287 4.120 -0.000 0.000 0.304 214 V C 1.701 177.778 176.094 -0.028 0.000 1.040 214 V CA 1.254 63.536 62.300 -0.030 0.000 1.149 214 V CB 1.187 32.987 31.823 -0.038 0.000 0.914 214 V HN 0.619 nan 8.190 nan 0.000 0.487 215 D N 2.702 123.086 120.400 -0.027 0.000 2.323 215 D HA -0.010 4.630 4.640 -0.000 0.000 0.218 215 D C 0.464 176.747 176.300 -0.028 0.000 0.973 215 D CA 0.401 54.386 54.000 -0.024 0.000 0.890 215 D CB 0.753 41.542 40.800 -0.018 0.000 1.011 215 D HN 0.555 nan 8.370 nan 0.000 0.499 216 T N 0.505 115.041 114.554 -0.031 0.000 2.893 216 T HA 0.526 4.876 4.350 -0.000 0.000 0.291 216 T C -0.806 173.870 174.700 -0.039 0.000 1.028 216 T CA -0.603 61.478 62.100 -0.031 0.000 0.995 216 T CB 2.853 71.706 68.868 -0.026 0.000 1.051 216 T HN -0.117 nan 8.240 nan 0.000 0.470 217 V N 2.494 122.385 119.914 -0.038 0.000 2.525 217 V HA 0.561 4.681 4.120 -0.000 0.000 0.299 217 V C -0.521 175.560 176.094 -0.023 0.000 1.034 217 V CA -0.833 61.442 62.300 -0.041 0.000 0.863 217 V CB 1.923 33.715 31.823 -0.052 0.000 0.999 217 V HN 0.716 nan 8.190 nan 0.000 0.423 218 V N 7.112 127.007 119.914 -0.031 0.000 2.398 218 V HA 0.656 4.776 4.120 -0.000 0.000 0.286 218 V C -0.356 175.737 176.094 -0.001 0.000 1.026 218 V CA -0.161 62.132 62.300 -0.011 0.000 0.868 218 V CB 1.424 33.228 31.823 -0.031 0.000 0.982 218 V HN 0.895 nan 8.190 nan 0.000 0.443 219 M N 5.248 124.875 119.600 0.047 0.000 2.321 219 M HA 0.513 4.993 4.480 -0.000 0.000 0.315 219 M C -0.377 175.963 176.300 0.067 0.000 1.052 219 M CA -0.480 54.860 55.300 0.066 0.000 0.936 219 M CB 2.298 34.982 32.600 0.141 0.000 1.639 219 M HN 0.668 nan 8.290 nan 0.000 0.433 220 E N 1.848 122.080 120.200 0.054 0.000 2.316 220 E HA 0.252 4.602 4.350 -0.000 0.000 0.275 220 E C -1.103 175.531 176.600 0.057 0.000 1.029 220 E CA -0.141 56.290 56.400 0.052 0.000 0.871 220 E CB 1.162 30.895 29.700 0.055 0.000 1.022 220 E HN 0.331 nan 8.360 nan 0.000 0.418 221 V N 4.233 124.168 119.914 0.035 0.000 2.289 221 V HA 0.072 4.192 4.120 -0.000 0.000 0.272 221 V C 0.225 176.334 176.094 0.026 0.000 1.026 221 V CA -0.709 61.604 62.300 0.022 0.000 0.807 221 V CB 0.787 32.575 31.823 -0.057 0.000 1.044 221 V HN 0.722 nan 8.190 nan 0.000 0.443 222 S N 3.147 118.876 115.700 0.048 0.000 2.573 222 S HA 0.077 4.547 4.470 -0.000 0.000 0.277 222 S C 1.501 176.152 174.600 0.084 0.000 1.346 222 S CA 0.275 58.514 58.200 0.066 0.000 1.034 222 S CB 1.238 64.466 63.200 0.047 0.000 0.879 222 S HN 1.041 nan 8.310 nan 0.000 0.528 223 S N 0.806 116.585 115.700 0.133 0.000 2.489 223 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 223 S C 1.342 176.076 174.600 0.223 0.000 0.995 223 S CA 0.795 59.126 58.200 0.218 0.000 0.934 223 S CB -0.842 62.577 63.200 0.364 0.000 0.771 223 S HN 0.881 nan 8.310 nan 0.000 0.522 224 H N 2.035 121.084 119.070 -0.036 0.000 2.326 224 H HA 0.239 4.795 4.556 -0.000 0.000 0.301 224 H C 2.533 177.807 175.328 -0.091 0.000 1.081 224 H CA 1.683 57.565 56.048 -0.276 0.000 1.334 224 H CB -0.496 28.943 29.762 -0.538 0.000 1.385 224 H HN 0.555 nan 8.280 nan 0.000 0.504 225 A N 0.428 123.298 122.820 0.083 0.000 1.972 225 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 225 A C 2.237 179.870 177.584 0.082 0.000 1.169 225 A CA 1.314 53.391 52.037 0.067 0.000 0.635 225 A CB -0.700 18.335 19.000 0.057 0.000 0.810 225 A HN 0.323 nan 8.150 nan 0.000 0.446 226 L N -0.888 120.389 121.223 0.089 0.000 2.056 226 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 226 L C 3.038 179.979 176.870 0.119 0.000 1.078 226 L CA 1.069 55.959 54.840 0.083 0.000 0.749 226 L CB -0.534 41.559 42.059 0.058 0.000 0.901 226 L HN 0.375 nan 8.230 nan 0.000 0.433 227 A N -0.208 122.720 122.820 0.179 0.000 1.933 227 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 227 A C 1.732 179.426 177.584 0.183 0.000 1.175 227 A CA 1.232 53.403 52.037 0.223 0.000 0.628 227 A CB -0.353 18.874 19.000 0.379 0.000 0.814 227 A HN 0.287 nan 8.150 nan 0.000 0.444 228 L N -0.552 120.765 121.223 0.156 0.000 2.791 228 L HA 0.266 4.606 4.340 -0.000 0.000 0.239 228 L C 1.447 178.363 176.870 0.078 0.000 1.203 228 L CA 0.730 55.641 54.840 0.119 0.000 1.002 228 L CB -1.436 40.687 42.059 0.107 0.000 1.295 228 L HN 0.554 nan 8.230 nan 0.000 0.504 229 G N 0.895 109.743 108.800 0.079 0.000 2.341 229 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.292 229 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.292 229 G C 1.369 176.305 174.900 0.059 0.000 1.021 229 G CA 0.700 45.840 45.100 0.066 0.000 0.905 229 G HN 0.428 nan 8.290 nan 0.000 0.508 230 R N -0.893 119.644 120.500 0.061 0.000 2.189 230 R HA 0.042 4.382 4.340 -0.000 0.000 0.223 230 R C 2.260 178.600 176.300 0.066 0.000 1.092 230 R CA 1.543 57.674 56.100 0.052 0.000 0.989 230 R CB -0.009 30.317 30.300 0.043 0.000 0.876 230 R HN 0.896 nan 8.270 nan 0.000 0.457 231 V N -2.524 117.450 119.914 0.100 0.000 3.099 231 V HA 0.172 4.292 4.120 -0.000 0.000 0.356 231 V C 0.505 176.679 176.094 0.133 0.000 1.364 231 V CA -0.079 62.309 62.300 0.147 0.000 1.229 231 V CB 0.575 32.574 31.823 0.293 0.000 1.227 231 V HN -0.106 nan 8.190 nan 0.000 0.493 232 D N 3.267 123.718 120.400 0.085 0.000 2.117 232 D HA -0.056 4.584 4.640 -0.000 0.000 0.197 232 D C 2.051 178.387 176.300 0.059 0.000 0.987 232 D CA 2.198 56.241 54.000 0.072 0.000 0.829 232 D CB -0.114 40.716 40.800 0.050 0.000 0.961 232 D HN 0.624 nan 8.370 nan 0.000 0.460 233 G N -0.560 108.265 108.800 0.041 0.000 3.233 233 G HA2 0.036 3.996 3.960 -0.000 0.000 0.227 233 G HA3 0.036 3.996 3.960 -0.000 0.000 0.227 233 G C 0.163 175.067 174.900 0.006 0.000 1.175 233 G CA -0.083 45.044 45.100 0.045 0.000 0.781 233 G HN 0.072 nan 8.290 nan 0.000 0.542 234 T N 1.458 115.977 114.554 -0.057 0.000 2.749 234 T HA 0.380 4.730 4.350 -0.000 0.000 0.295 234 T C 0.155 174.675 174.700 -0.299 0.000 0.936 234 T CA -0.396 61.552 62.100 -0.254 0.000 1.060 234 T CB 1.299 69.879 68.868 -0.480 0.000 0.904 234 T HN 0.072 nan 8.240 nan 0.000 0.500 235 R N 2.386 122.725 120.500 -0.267 0.000 2.267 235 R HA 0.342 4.682 4.340 -0.000 0.000 0.319 235 R C -0.706 175.395 176.300 -0.331 0.000 1.067 235 R CA -0.124 55.861 56.100 -0.191 0.000 0.936 235 R CB -0.173 30.065 30.300 -0.104 0.000 1.006 235 R HN 0.512 nan 8.270 nan 0.000 0.452 236 F N 1.377 121.299 119.950 -0.046 0.000 2.411 236 F HA 0.287 4.814 4.527 0.000 0.000 0.355 236 F C 1.347 177.119 175.800 -0.046 0.000 1.117 236 F CA -0.453 57.514 58.000 -0.055 0.000 1.139 236 F CB 1.483 40.429 39.000 -0.089 0.000 1.120 236 F HN 0.651 nan 8.300 nan 0.000 0.493 237 A N 2.830 125.708 122.820 0.097 0.000 2.015 237 A HA 0.196 4.516 4.320 -0.000 0.000 0.219 237 A C 0.454 178.086 177.584 0.079 0.000 1.163 237 A CA 0.924 52.999 52.037 0.063 0.000 0.646 237 A CB -0.048 18.973 19.000 0.034 0.000 0.806 237 A HN 0.463 nan 8.150 nan 0.000 0.448 238 V N -1.728 118.255 119.914 0.114 0.000 2.891 238 V HA 0.591 4.711 4.120 -0.000 0.000 0.304 238 V C -0.093 176.027 176.094 0.044 0.000 1.171 238 V CA -0.264 62.083 62.300 0.078 0.000 0.943 238 V CB 1.773 33.636 31.823 0.067 0.000 1.037 238 V HN 0.398 nan 8.190 nan 0.000 0.427 239 G N 2.149 110.923 108.800 -0.044 0.000 2.478 239 G HA2 0.772 4.732 3.960 -0.000 0.000 0.317 239 G HA3 0.772 4.732 3.960 -0.000 0.000 0.317 239 G C -0.571 174.441 174.900 0.187 0.000 1.259 239 G CA -0.104 44.881 45.100 -0.192 0.000 0.933 239 G HN 1.148 nan 8.290 nan 0.000 0.478 240 A N 1.885 124.840 122.820 0.225 0.000 2.337 240 A HA 0.798 5.118 4.320 -0.000 0.000 0.329 240 A C -1.535 176.312 177.584 0.438 0.000 1.146 240 A CA -0.708 51.518 52.037 0.314 0.000 0.800 240 A CB 1.412 20.489 19.000 0.128 0.000 1.220 240 A HN 0.888 nan 8.150 nan 0.000 0.472 241 F N 2.564 122.566 119.950 0.086 0.000 2.403 241 F HA 0.382 4.909 4.527 -0.000 0.000 0.355 241 F C 1.436 177.185 175.800 -0.085 0.000 1.119 241 F CA 0.087 58.017 58.000 -0.116 0.000 1.007 241 F CB 1.685 40.347 39.000 -0.563 0.000 1.194 241 F HN 0.743 nan 8.300 nan 0.000 0.443 242 T N 1.935 116.180 114.554 -0.515 0.000 2.643 242 T HA 0.134 4.484 4.350 -0.000 0.000 0.256 242 T C 0.269 174.666 174.700 -0.504 0.000 1.061 242 T CA 1.366 63.240 62.100 -0.378 0.000 1.163 242 T CB -0.445 68.263 68.868 -0.267 0.000 0.865 242 T HN 0.676 nan 8.240 nan 0.000 0.407 243 N N -0.776 117.416 118.700 -0.846 0.000 3.179 243 N HA 0.564 5.304 4.740 -0.000 0.000 0.250 243 N C -2.169 173.119 175.510 -0.370 0.000 1.507 243 N CA -1.113 51.685 53.050 -0.420 0.000 0.883 243 N CB 1.310 39.696 38.487 -0.168 0.000 1.435 243 N HN 0.407 nan 8.380 nan 0.000 0.532 244 L N 0.188 121.430 121.223 0.031 0.000 2.505 244 L HA 0.826 5.166 4.340 -0.000 0.000 0.266 244 L C -1.388 175.542 176.870 0.100 0.000 0.954 244 L CA 0.073 54.964 54.840 0.085 0.000 0.852 244 L CB 1.837 44.039 42.059 0.240 0.000 1.282 244 L HN 1.047 nan 8.230 nan 0.000 0.403 245 S N 2.085 117.863 115.700 0.130 0.000 2.579 245 S HA 0.828 5.298 4.470 -0.000 0.000 0.272 245 S C -0.205 174.523 174.600 0.212 0.000 1.141 245 S CA -0.465 57.813 58.200 0.131 0.000 0.843 245 S CB 1.583 64.818 63.200 0.059 0.000 1.122 245 S HN 0.957 nan 8.310 nan 0.000 0.468 246 R N 0.875 121.458 120.500 0.139 0.000 2.976 246 R HA 0.295 4.635 4.340 -0.000 0.000 0.354 246 R C -0.327 175.989 176.300 0.027 0.000 0.794 246 R CA 1.088 57.247 56.100 0.097 0.000 1.085 246 R CB -1.975 28.346 30.300 0.034 0.000 0.896 246 R HN 0.789 nan 8.270 nan 0.000 0.393 247 D N -0.665 119.714 120.400 -0.034 0.000 2.570 247 D HA 0.418 5.058 4.640 -0.000 0.000 0.244 247 D C -0.014 176.019 176.300 -0.446 0.000 1.178 247 D CA -0.371 53.482 54.000 -0.246 0.000 0.881 247 D CB 0.893 41.612 40.800 -0.135 0.000 1.453 247 D HN 0.595 nan 8.370 nan 0.000 0.447 248 H N 0.787 119.725 119.070 -0.221 0.000 2.921 248 H HA -0.159 4.397 4.556 0.000 0.000 0.281 248 H C 0.434 175.710 175.328 -0.086 0.000 1.165 248 H CA 0.209 56.183 56.048 -0.122 0.000 1.151 248 H CB -1.026 28.675 29.762 -0.102 0.000 1.311 248 H HN 0.178 nan 8.280 nan 0.000 0.361 249 L N 2.331 123.524 121.223 -0.050 0.000 2.801 249 L HA 0.036 4.376 4.340 -0.000 0.000 0.250 249 L C 1.314 178.198 176.870 0.023 0.000 1.222 249 L CA 1.154 55.987 54.840 -0.012 0.000 1.054 249 L CB -0.218 41.820 42.059 -0.036 0.000 1.330 249 L HN 0.368 nan 8.230 nan 0.000 0.426 250 D N -4.012 116.432 120.400 0.073 0.000 2.539 250 D HA -0.031 4.609 4.640 -0.000 0.000 0.232 250 D C 1.201 177.584 176.300 0.138 0.000 1.256 250 D CA -0.097 53.948 54.000 0.075 0.000 0.810 250 D CB -0.322 40.516 40.800 0.063 0.000 1.090 250 D HN 0.227 nan 8.370 nan 0.000 0.519 251 F N 0.963 120.899 119.950 -0.024 0.000 2.423 251 F HA 0.265 4.792 4.527 0.000 0.000 0.269 251 F C 0.454 176.141 175.800 -0.189 0.000 0.880 251 F CA -0.063 57.871 58.000 -0.110 0.000 1.134 251 F CB 0.217 39.111 39.000 -0.177 0.000 1.143 251 F HN -0.244 nan 8.300 nan 0.000 0.802 252 H N 3.188 122.136 119.070 -0.203 0.000 2.764 252 H HA 0.150 4.706 4.556 -0.000 0.000 0.341 252 H C -1.624 173.604 175.328 -0.166 0.000 1.072 252 H CA -0.963 54.933 56.048 -0.254 0.000 1.444 252 H CB 0.760 30.508 29.762 -0.025 0.000 1.458 252 H HN 0.174 nan 8.280 nan 0.000 0.572 253 P HA -0.035 nan 4.420 nan 0.000 0.241 253 P C -0.264 177.045 177.300 0.015 0.000 1.191 253 P CA 0.426 63.505 63.100 -0.036 0.000 0.771 253 P CB 0.656 32.319 31.700 -0.062 0.000 0.929 254 S N -2.395 113.340 115.700 0.058 0.000 2.537 254 S HA 0.359 4.829 4.470 -0.000 0.000 0.271 254 S C 0.781 175.443 174.600 0.104 0.000 1.148 254 S CA -0.784 57.453 58.200 0.062 0.000 0.868 254 S CB 0.683 63.910 63.200 0.045 0.000 1.115 254 S HN -0.331 nan 8.310 nan 0.000 0.461 255 M N 1.578 121.240 119.600 0.103 0.000 2.195 255 M HA -0.134 4.346 4.480 -0.000 0.000 0.260 255 M C 2.347 178.745 176.300 0.164 0.000 1.066 255 M CA 2.223 57.623 55.300 0.168 0.000 1.089 255 M CB -1.969 30.700 32.600 0.116 0.000 1.377 255 M HN 0.988 nan 8.290 nan 0.000 0.411 256 A N 0.559 123.440 122.820 0.101 0.000 1.835 256 A HA -0.199 4.121 4.320 -0.000 0.000 0.215 256 A C 1.904 179.573 177.584 0.143 0.000 1.199 256 A CA 2.001 54.097 52.037 0.099 0.000 0.615 256 A CB -0.893 18.141 19.000 0.057 0.000 0.838 256 A HN 0.406 nan 8.150 nan 0.000 0.444 257 D N -1.549 118.919 120.400 0.113 0.000 2.149 257 D HA -0.202 4.438 4.640 -0.000 0.000 0.194 257 D C 1.702 178.033 176.300 0.051 0.000 1.001 257 D CA 1.802 55.870 54.000 0.113 0.000 0.849 257 D CB -0.465 40.415 40.800 0.134 0.000 0.939 257 D HN 0.534 nan 8.370 nan 0.000 0.449 258 Y N 0.701 120.860 120.300 -0.235 0.000 2.128 258 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 258 Y C 2.177 177.976 175.900 -0.168 0.000 1.154 258 Y CA 1.131 58.898 58.100 -0.555 0.000 1.149 258 Y CB -1.000 37.287 38.460 -0.289 0.000 0.976 258 Y HN -0.031 nan 8.280 nan 0.000 0.505 259 F N 0.871 120.722 119.950 -0.165 0.000 2.075 259 F HA -0.186 4.341 4.527 0.000 0.000 0.297 259 F C 2.285 178.026 175.800 -0.098 0.000 1.113 259 F CA 1.989 59.886 58.000 -0.172 0.000 1.218 259 F CB -0.227 38.709 39.000 -0.107 0.000 0.984 259 F HN -0.030 nan 8.300 nan 0.000 0.472 260 E N 1.292 121.542 120.200 0.082 0.000 2.118 260 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 260 E C 1.430 178.003 176.600 -0.044 0.000 0.992 260 E CA 0.842 57.252 56.400 0.017 0.000 0.804 260 E CB -1.141 28.614 29.700 0.092 0.000 0.741 260 E HN 0.434 nan 8.360 nan 0.000 0.458 264 S N -0.029 115.636 115.700 -0.058 0.000 2.547 264 S HA 0.050 4.520 4.470 -0.000 0.000 0.235 264 S C 1.391 175.915 174.600 -0.128 0.000 0.980 264 S CA 1.353 59.519 58.200 -0.057 0.000 0.941 264 S CB -0.119 63.060 63.200 -0.033 0.000 0.763 264 S HN 0.630 nan 8.310 nan 0.000 0.532 265 L N -0.551 120.535 121.223 -0.228 0.000 2.477 265 L HA 0.505 4.845 4.340 -0.000 0.000 0.220 265 L C 0.795 177.188 176.870 -0.796 0.000 1.106 265 L CA 1.008 55.479 54.840 -0.615 0.000 0.851 265 L CB -0.358 41.141 42.059 -0.933 0.000 0.994 265 L HN 0.355 nan 8.230 nan 0.000 0.462 266 F N -2.543 117.329 119.950 -0.130 0.000 2.778 266 F HA 0.260 4.787 4.527 0.000 0.000 0.314 266 F C 0.880 176.633 175.800 -0.078 0.000 1.073 266 F CA -0.874 57.064 58.000 -0.103 0.000 1.218 266 F CB -0.050 38.868 39.000 -0.137 0.000 1.037 266 F HN -0.196 nan 8.300 nan 0.000 0.594 267 D N 3.460 123.907 120.400 0.077 0.000 2.472 267 D HA -0.013 4.627 4.640 -0.000 0.000 0.248 267 D C -1.715 174.600 176.300 0.026 0.000 1.174 267 D CA -0.914 53.110 54.000 0.040 0.000 0.883 267 D CB 1.402 42.212 40.800 0.017 0.000 1.149 267 D HN -0.003 nan 8.370 nan 0.000 0.488 268 P HA -0.126 nan 4.420 nan 0.000 0.216 268 P C 0.702 178.012 177.300 0.017 0.000 1.153 268 P CA 1.037 64.153 63.100 0.026 0.000 0.858 268 P CB 0.309 32.026 31.700 0.029 0.000 0.789 269 D N -1.258 119.152 120.400 0.017 0.000 2.355 269 D HA 0.004 4.644 4.640 -0.000 0.000 0.218 269 D C 0.768 177.075 176.300 0.012 0.000 1.004 269 D CA 0.454 54.463 54.000 0.014 0.000 0.880 269 D CB 0.049 40.859 40.800 0.015 0.000 0.911 269 D HN 0.135 nan 8.370 nan 0.000 0.528 270 S N -0.120 115.584 115.700 0.007 0.000 2.579 270 S HA 0.251 4.721 4.470 -0.000 0.000 0.275 270 S C 1.388 175.992 174.600 0.006 0.000 1.345 270 S CA -0.103 58.099 58.200 0.003 0.000 1.031 270 S CB 1.638 64.830 63.200 -0.012 0.000 0.892 270 S HN 0.171 nan 8.310 nan 0.000 0.529 271 A N 4.575 127.403 122.820 0.013 0.000 1.908 271 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 271 A C 1.914 179.517 177.584 0.033 0.000 1.181 271 A CA 1.177 53.228 52.037 0.023 0.000 0.627 271 A CB -0.628 18.390 19.000 0.030 0.000 0.818 271 A HN 0.726 nan 8.150 nan 0.000 0.445 272 L N -0.640 120.597 121.223 0.024 0.000 2.478 272 L HA 0.072 4.412 4.340 -0.000 0.000 0.223 272 L C 1.197 178.065 176.870 -0.003 0.000 1.140 272 L CA 0.465 55.331 54.840 0.043 0.000 0.842 272 L CB -1.541 40.514 42.059 -0.008 0.000 0.953 272 L HN 0.438 nan 8.230 nan 0.000 0.452 273 R N 1.968 122.443 120.500 -0.042 0.000 2.504 273 R HA -0.016 4.324 4.340 -0.000 0.000 0.302 273 R C 0.068 176.347 176.300 -0.035 0.000 0.893 273 R CA 0.549 56.604 56.100 -0.075 0.000 1.138 273 R CB -0.200 30.083 30.300 -0.028 0.000 0.880 273 R HN 0.220 nan 8.270 nan 0.000 0.415 274 A N 4.936 127.697 122.820 -0.099 0.000 2.386 274 A HA 0.188 4.508 4.320 -0.000 0.000 0.248 274 A C 1.146 178.743 177.584 0.021 0.000 1.082 274 A CA -0.058 51.979 52.037 0.001 0.000 0.789 274 A CB 0.351 19.318 19.000 -0.056 0.000 1.025 274 A HN 0.971 nan 8.150 nan 0.000 0.490 275 R N -0.223 120.305 120.500 0.047 0.000 2.119 275 R HA -0.115 4.225 4.340 -0.000 0.000 0.246 275 R C -0.169 176.156 176.300 0.041 0.000 1.146 275 R CA 1.971 58.093 56.100 0.037 0.000 0.962 275 R CB -0.160 30.161 30.300 0.034 0.000 0.863 275 R HN 0.807 nan 8.270 nan 0.000 0.442 276 T N -0.830 113.753 114.554 0.050 0.000 2.886 276 T HA 0.597 4.947 4.350 -0.000 0.000 0.292 276 T C -1.188 173.563 174.700 0.085 0.000 1.012 276 T CA -0.713 61.427 62.100 0.067 0.000 0.982 276 T CB 2.013 70.923 68.868 0.069 0.000 1.018 276 T HN 0.212 nan 8.240 nan 0.000 0.451 277 A N 2.243 125.141 122.820 0.130 0.000 2.317 277 A HA 0.808 5.128 4.320 -0.000 0.000 0.327 277 A C -0.619 177.101 177.584 0.226 0.000 1.178 277 A CA -0.636 51.541 52.037 0.233 0.000 0.817 277 A CB 0.787 19.987 19.000 0.333 0.000 1.189 277 A HN 0.687 nan 8.150 nan 0.000 0.489 278 V N 2.861 122.933 119.914 0.263 0.000 2.487 278 V HA 0.528 4.648 4.120 -0.000 0.000 0.298 278 V C -0.659 175.537 176.094 0.171 0.000 1.028 278 V CA -0.442 61.970 62.300 0.187 0.000 0.860 278 V CB 1.580 33.476 31.823 0.122 0.000 0.991 278 V HN 0.667 nan 8.190 nan 0.000 0.427 279 V N 3.768 123.750 119.914 0.113 0.000 2.577 279 V HA 0.319 4.439 4.120 -0.000 0.000 0.303 279 V C -0.035 176.115 176.094 0.093 0.000 1.042 279 V CA -0.644 61.699 62.300 0.071 0.000 0.872 279 V CB 1.907 33.685 31.823 -0.076 0.000 0.998 279 V HN 1.032 nan 8.190 nan 0.000 0.423 280 C N 6.294 125.673 119.300 0.131 0.000 2.632 280 C HA 0.315 4.775 4.460 -0.000 0.000 0.415 280 C C 1.554 176.605 174.990 0.101 0.000 1.332 280 C CA -0.263 58.814 59.018 0.098 0.000 1.874 280 C CB -0.600 27.178 27.740 0.064 0.000 2.596 280 C HN 0.766 nan 8.230 nan 0.000 0.590 281 I N 4.588 125.191 120.570 0.055 0.000 3.793 281 I HA 0.073 4.243 4.170 -0.000 0.000 0.315 281 I C 1.729 177.864 176.117 0.030 0.000 1.275 281 I CA 0.788 62.105 61.300 0.028 0.000 1.214 281 I CB -0.810 37.189 38.000 -0.001 0.000 1.018 281 I HN 0.707 nan 8.210 nan 0.000 0.439 282 D N 0.607 121.031 120.400 0.040 0.000 2.149 282 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 282 D C 1.038 177.358 176.300 0.034 0.000 0.972 282 D CA 0.889 54.907 54.000 0.030 0.000 0.835 282 D CB 0.151 40.967 40.800 0.027 0.000 0.966 282 D HN 0.267 nan 8.370 nan 0.000 0.476 283 D N 0.650 121.084 120.400 0.057 0.000 2.362 283 D HA -0.050 4.590 4.640 -0.000 0.000 0.242 283 D C 0.738 177.068 176.300 0.049 0.000 1.132 283 D CA -0.134 53.905 54.000 0.065 0.000 0.907 283 D CB 1.341 42.215 40.800 0.122 0.000 1.195 283 D HN -0.197 nan 8.370 nan 0.000 0.429 284 D N 2.054 122.469 120.400 0.026 0.000 2.097 284 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 284 D C 1.769 178.056 176.300 -0.021 0.000 0.984 284 D CA 1.500 55.495 54.000 -0.009 0.000 0.826 284 D CB -0.338 40.444 40.800 -0.030 0.000 0.973 284 D HN 0.526 nan 8.370 nan 0.000 0.460 285 A N 0.798 123.628 122.820 0.017 0.000 1.927 285 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 285 A C 2.360 179.942 177.584 -0.003 0.000 1.185 285 A CA 2.506 54.568 52.037 0.042 0.000 0.639 285 A CB -1.242 17.902 19.000 0.239 0.000 0.820 285 A HN 0.334 nan 8.150 nan 0.000 0.451 286 G N -0.718 108.149 108.800 0.111 0.000 2.459 286 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 286 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 286 G C 1.729 176.564 174.900 -0.108 0.000 1.183 286 G CA 1.066 46.182 45.100 0.026 0.000 0.776 286 G HN 0.599 nan 8.290 nan 0.000 0.552 287 R N 0.611 121.078 120.500 -0.056 0.000 2.094 287 R HA -0.065 4.275 4.340 -0.000 0.000 0.239 287 R C 3.026 179.269 176.300 -0.096 0.000 1.137 287 R CA 1.471 57.529 56.100 -0.069 0.000 0.943 287 R CB -0.519 29.750 30.300 -0.052 0.000 0.850 287 R HN 0.350 nan 8.270 nan 0.000 0.433 288 A N 0.603 123.359 122.820 -0.107 0.000 1.978 288 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 288 A C 2.116 179.687 177.584 -0.022 0.000 1.170 288 A CA 1.373 53.355 52.037 -0.093 0.000 0.636 288 A CB -0.327 18.543 19.000 -0.216 0.000 0.810 288 A HN 0.172 nan 8.150 nan 0.000 0.448 289 M N -0.989 118.504 119.600 -0.179 0.000 2.236 289 M HA -0.027 4.453 4.480 -0.000 0.000 0.266 289 M C 2.539 178.656 176.300 -0.306 0.000 1.070 289 M CA 1.325 56.379 55.300 -0.410 0.000 1.137 289 M CB -1.035 30.870 32.600 -1.158 0.000 1.378 289 M HN 0.498 nan 8.290 nan 0.000 0.426 290 A N 0.435 123.117 122.820 -0.231 0.000 1.902 290 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 290 A C 2.357 179.906 177.584 -0.059 0.000 1.181 290 A CA 2.006 53.971 52.037 -0.121 0.000 0.623 290 A CB -0.841 18.109 19.000 -0.082 0.000 0.818 290 A HN 0.475 nan 8.150 nan 0.000 0.443 291 A N -0.582 122.205 122.820 -0.055 0.000 1.972 291 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 291 A C 2.172 179.751 177.584 -0.010 0.000 1.169 291 A CA 2.022 54.044 52.037 -0.025 0.000 0.635 291 A CB -0.383 18.600 19.000 -0.028 0.000 0.810 291 A HN 0.471 nan 8.150 nan 0.000 0.446 292 R N 0.010 120.499 120.500 -0.018 0.000 2.062 292 R HA 0.085 4.425 4.340 -0.000 0.000 0.229 292 R C 2.081 178.393 176.300 0.020 0.000 1.128 292 R CA 1.660 57.764 56.100 0.005 0.000 0.960 292 R CB -0.747 29.552 30.300 -0.001 0.000 0.855 292 R HN 0.349 nan 8.270 nan 0.000 0.432 293 A N -0.357 122.474 122.820 0.019 0.000 2.216 293 A HA 0.238 4.558 4.320 -0.000 0.000 0.214 293 A C 1.700 179.321 177.584 0.061 0.000 1.160 293 A CA 1.473 53.557 52.037 0.077 0.000 0.725 293 A CB -0.633 18.446 19.000 0.132 0.000 0.784 293 A HN 0.614 nan 8.150 nan 0.000 0.472 294 A N 0.212 123.056 122.820 0.040 0.000 1.468 294 A HA -0.347 3.973 4.320 -0.000 0.000 0.224 294 A C 0.904 178.523 177.584 0.057 0.000 0.358 294 A CA 2.066 54.128 52.037 0.041 0.000 1.097 294 A CB -2.084 16.939 19.000 0.037 0.000 1.465 294 A HN 1.138 nan 8.150 nan 0.000 0.719 295 D N -0.057 120.384 120.400 0.069 0.000 3.123 295 D HA 0.651 5.291 4.640 -0.000 0.000 0.305 295 D C 0.063 176.429 176.300 0.111 0.000 1.373 295 D CA 0.611 54.661 54.000 0.083 0.000 0.889 295 D CB -0.427 40.408 40.800 0.059 0.000 1.070 295 D HN 1.138 nan 8.370 nan 0.000 0.494 296 A N 0.559 123.458 122.820 0.131 0.000 2.332 296 A HA 0.485 4.805 4.320 -0.000 0.000 0.258 296 A C 0.340 178.072 177.584 0.246 0.000 1.087 296 A CA -0.573 51.558 52.037 0.157 0.000 0.802 296 A CB 0.326 19.388 19.000 0.105 0.000 1.042 296 A HN 0.474 nan 8.150 nan 0.000 0.489 297 I N 2.066 122.791 120.570 0.259 0.000 2.337 297 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 297 I C 0.903 177.255 176.117 0.392 0.000 1.046 297 I CA -0.039 61.522 61.300 0.436 0.000 1.324 297 I CB 0.950 39.136 38.000 0.310 0.000 1.409 297 I HN 0.789 nan 8.210 nan 0.000 0.494 298 T N 3.379 118.159 114.554 0.378 0.000 2.918 298 T HA 0.702 5.052 4.350 -0.000 0.000 0.283 298 T C -0.342 174.454 174.700 0.160 0.000 1.001 298 T CA -0.702 61.446 62.100 0.080 0.000 1.041 298 T CB 2.094 70.871 68.868 -0.152 0.000 1.028 298 T HN 0.248 nan 8.240 nan 0.000 0.511 299 V N 1.463 121.448 119.914 0.118 0.000 2.711 299 V HA 0.703 4.823 4.120 -0.000 0.000 0.304 299 V C -0.679 175.471 176.094 0.092 0.000 1.097 299 V CA -0.699 61.695 62.300 0.157 0.000 0.906 299 V CB 2.068 33.965 31.823 0.123 0.000 1.015 299 V HN 1.204 nan 8.190 nan 0.000 0.427 300 S N 3.448 119.207 115.700 0.098 0.000 2.614 300 S HA 0.734 5.204 4.470 -0.000 0.000 0.275 300 S C 0.227 174.853 174.600 0.043 0.000 1.161 300 S CA 0.311 58.543 58.200 0.052 0.000 0.969 300 S CB 1.942 65.161 63.200 0.032 0.000 1.059 300 S HN 1.223 nan 8.310 nan 0.000 0.482 301 A N 3.272 126.093 122.820 0.002 0.000 2.423 301 A HA 0.676 4.996 4.320 -0.000 0.000 0.246 301 A C 1.015 178.575 177.584 -0.039 0.000 1.278 301 A CA 0.350 52.359 52.037 -0.046 0.000 0.903 301 A CB -0.124 18.802 19.000 -0.122 0.000 0.997 301 A HN 1.295 nan 8.150 nan 0.000 0.510 302 A N 0.447 123.258 122.820 -0.013 0.000 3.041 302 A HA 0.466 4.786 4.320 -0.000 0.000 0.307 302 A C 0.149 177.729 177.584 -0.006 0.000 1.116 302 A CA 0.179 52.209 52.037 -0.013 0.000 1.001 302 A CB -0.382 18.614 19.000 -0.007 0.000 1.112 302 A HN 0.357 nan 8.150 nan 0.000 0.556 303 D N -0.498 119.901 120.400 -0.002 0.000 3.068 303 D HA -0.210 4.430 4.640 -0.000 0.000 0.219 303 D C 0.362 176.664 176.300 0.002 0.000 1.175 303 D CA 1.338 55.340 54.000 0.002 0.000 0.942 303 D CB -0.875 39.925 40.800 -0.002 0.000 1.127 303 D HN 0.703 nan 8.370 nan 0.000 0.404 304 R N 0.688 121.189 120.500 0.001 0.000 2.582 304 R HA 0.350 4.690 4.340 -0.000 0.000 0.271 304 R C -2.336 173.962 176.300 -0.005 0.000 1.078 304 R CA -1.199 54.899 56.100 -0.004 0.000 1.127 304 R CB 0.261 30.558 30.300 -0.006 0.000 1.038 304 R HN -0.092 nan 8.270 nan 0.000 0.500 305 P HA 0.139 nan 4.420 nan 0.000 0.276 305 P C -1.361 175.904 177.300 -0.058 0.000 1.264 305 P CA 0.177 63.261 63.100 -0.026 0.000 0.769 305 P CB 1.310 32.992 31.700 -0.029 0.000 0.840 306 A N 2.785 125.575 122.820 -0.050 0.000 2.532 306 A HA 0.492 4.812 4.320 -0.000 0.000 0.290 306 A C 0.748 178.290 177.584 -0.070 0.000 1.143 306 A CA -0.461 51.515 52.037 -0.101 0.000 0.728 306 A CB 0.633 19.637 19.000 0.005 0.000 1.317 306 A HN 0.512 nan 8.150 nan 0.000 0.414 307 H N -0.732 118.393 119.070 0.093 0.000 2.353 307 H HA -0.071 4.485 4.556 0.000 0.000 0.300 307 H C -0.439 174.865 175.328 -0.041 0.000 1.090 307 H CA 1.339 57.408 56.048 0.034 0.000 1.327 307 H CB -0.061 29.758 29.762 0.096 0.000 1.383 307 H HN 0.617 nan 8.280 nan 0.000 0.508 308 W N 1.027 122.415 121.300 0.147 0.000 2.478 308 W HA 0.517 5.177 4.660 -0.000 0.000 0.318 308 W C 0.158 176.725 176.519 0.080 0.000 1.062 308 W CA -0.540 56.872 57.345 0.111 0.000 1.210 308 W CB 1.168 30.693 29.460 0.109 0.000 1.325 308 W HN -0.210 nan 8.180 nan 0.000 0.496 309 R N 1.661 122.338 120.500 0.296 0.000 2.725 309 R HA 0.843 5.183 4.340 -0.000 0.000 0.277 309 R C -0.995 175.442 176.300 0.228 0.000 0.987 309 R CA -0.916 55.298 56.100 0.190 0.000 0.901 309 R CB 2.088 32.451 30.300 0.104 0.000 1.207 309 R HN 0.514 nan 8.270 nan 0.000 0.463 310 A N 0.946 123.863 122.820 0.162 0.000 2.365 310 A HA 0.836 5.156 4.320 -0.000 0.000 0.318 310 A C -0.803 176.845 177.584 0.107 0.000 1.091 310 A CA -0.531 51.620 52.037 0.191 0.000 0.763 310 A CB 1.543 20.529 19.000 -0.024 0.000 1.248 310 A HN 0.739 nan 8.150 nan 0.000 0.442 311 T N -2.011 112.635 114.554 0.154 0.000 2.739 311 T HA 0.594 4.944 4.350 -0.000 0.000 0.303 311 T C -0.940 173.824 174.700 0.107 0.000 1.389 311 T CA -0.167 61.985 62.100 0.087 0.000 1.001 311 T CB 1.110 70.016 68.868 0.062 0.000 1.436 311 T HN 0.675 nan 8.240 nan 0.000 0.500 312 D N -0.622 119.818 120.400 0.065 0.000 2.870 312 D HA -0.111 4.529 4.640 -0.000 0.000 0.228 312 D C 0.057 176.409 176.300 0.085 0.000 1.147 312 D CA 0.564 54.600 54.000 0.061 0.000 0.757 312 D CB -1.935 38.892 40.800 0.044 0.000 1.091 312 D HN 0.659 nan 8.370 nan 0.000 0.429 313 V N -0.036 119.924 119.914 0.078 0.000 2.434 313 V HA 0.352 4.472 4.120 -0.000 0.000 0.281 313 V C 1.052 177.183 176.094 0.061 0.000 1.005 313 V CA 0.594 62.940 62.300 0.075 0.000 1.089 313 V CB 0.719 32.526 31.823 -0.027 0.000 0.978 313 V HN 0.411 nan 8.190 nan 0.000 0.474 314 A N 8.139 131.015 122.820 0.093 0.000 2.311 314 A HA 0.787 5.107 4.320 -0.000 0.000 0.306 314 A C -2.506 175.124 177.584 0.078 0.000 1.189 314 A CA -1.932 50.152 52.037 0.078 0.000 0.791 314 A CB 1.042 20.096 19.000 0.091 0.000 1.172 314 A HN 0.616 nan 8.150 nan 0.000 0.481 315 P HA 0.076 nan 4.420 nan 0.000 0.264 315 P C 0.244 177.581 177.300 0.060 0.000 1.173 315 P CA 0.916 64.049 63.100 0.054 0.000 0.761 315 P CB 0.507 32.237 31.700 0.051 0.000 0.794 316 T N -1.442 113.146 114.554 0.057 0.000 2.896 316 T HA 0.429 4.779 4.350 -0.000 0.000 0.297 316 T C -0.697 174.027 174.700 0.040 0.000 1.108 316 T CA -1.059 61.072 62.100 0.053 0.000 1.004 316 T CB 0.976 69.882 68.868 0.063 0.000 1.159 316 T HN 0.025 nan 8.240 nan 0.000 0.499 317 D N 0.985 121.404 120.400 0.031 0.000 2.443 317 D HA 0.471 5.111 4.640 -0.000 0.000 0.239 317 D C 1.231 177.544 176.300 0.022 0.000 1.136 317 D CA 1.354 55.367 54.000 0.022 0.000 0.879 317 D CB 0.444 41.252 40.800 0.015 0.000 1.195 317 D HN 1.205 nan 8.370 nan 0.000 0.443 318 A N 1.797 124.626 122.820 0.016 0.000 3.250 318 A HA 0.033 4.353 4.320 -0.000 0.000 0.256 318 A C 1.675 179.273 177.584 0.023 0.000 1.231 318 A CA 1.281 53.328 52.037 0.016 0.000 1.193 318 A CB -2.043 16.967 19.000 0.018 0.000 1.149 318 A HN 1.635 nan 8.150 nan 0.000 0.930 319 G N -2.172 106.644 108.800 0.027 0.000 2.168 319 G HA2 0.096 4.056 3.960 -0.000 0.000 0.257 319 G HA3 0.096 4.056 3.960 -0.000 0.000 0.257 319 G C 1.616 176.538 174.900 0.036 0.000 0.997 319 G CA 1.295 46.414 45.100 0.032 0.000 0.708 319 G HN 2.459 nan 8.290 nan 0.000 0.520 320 G N -1.563 107.263 108.800 0.043 0.000 2.532 320 G HA2 0.625 4.585 3.960 -0.000 0.000 0.291 320 G HA3 0.625 4.585 3.960 -0.000 0.000 0.291 320 G C -0.259 174.681 174.900 0.068 0.000 1.349 320 G CA -0.315 44.818 45.100 0.055 0.000 1.038 320 G HN 0.491 nan 8.290 nan 0.000 0.518 321 Q N -0.645 119.214 119.800 0.099 0.000 2.271 321 Q HA 0.284 4.624 4.340 -0.000 0.000 0.268 321 Q C -0.929 175.196 176.000 0.208 0.000 1.021 321 Q CA -0.548 55.334 55.803 0.132 0.000 0.802 321 Q CB 2.500 31.306 28.738 0.114 0.000 1.282 321 Q HN 0.725 nan 8.270 nan 0.000 0.431 322 Q N 2.475 122.397 119.800 0.203 0.000 2.257 322 Q HA 0.804 5.144 4.340 -0.000 0.000 0.262 322 Q C -0.890 175.247 176.000 0.229 0.000 0.997 322 Q CA -0.712 55.209 55.803 0.196 0.000 0.873 322 Q CB 1.804 30.686 28.738 0.239 0.000 1.312 322 Q HN 0.546 nan 8.270 nan 0.000 0.450 323 F N -2.433 117.431 119.950 -0.143 0.000 2.831 323 F HA 0.612 5.139 4.527 0.000 0.000 0.318 323 F C -1.375 174.251 175.800 -0.291 0.000 1.174 323 F CA -1.122 56.770 58.000 -0.181 0.000 0.918 323 F CB 1.441 40.404 39.000 -0.062 0.000 1.364 323 F HN 0.361 nan 8.300 nan 0.000 0.475 324 T N 1.765 116.329 114.554 0.017 0.000 2.749 324 T HA 0.698 5.048 4.350 -0.000 0.000 0.287 324 T C -0.380 174.458 174.700 0.230 0.000 0.970 324 T CA -0.283 61.805 62.100 -0.021 0.000 0.980 324 T CB 1.066 69.939 68.868 0.008 0.000 0.924 324 T HN 0.869 nan 8.240 nan 0.000 0.456 325 A N 4.330 127.246 122.820 0.159 0.000 2.260 325 A HA 0.692 5.012 4.320 -0.000 0.000 0.308 325 A C -0.185 177.595 177.584 0.327 0.000 1.254 325 A CA -0.633 51.628 52.037 0.373 0.000 0.874 325 A CB -0.139 19.100 19.000 0.398 0.000 1.153 325 A HN 0.867 nan 8.150 nan 0.000 0.527 326 I N 3.491 124.210 120.570 0.247 0.000 2.330 326 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 326 I C -0.225 175.809 176.117 -0.139 0.000 1.001 326 I CA -0.619 60.727 61.300 0.078 0.000 1.193 326 I CB 1.415 39.442 38.000 0.045 0.000 1.345 326 I HN 0.771 nan 8.210 nan 0.000 0.461 327 D N 7.007 127.151 120.400 -0.427 0.000 2.398 327 D HA 0.189 4.829 4.640 -0.000 0.000 0.247 327 D C -2.069 173.788 176.300 -0.740 0.000 1.227 327 D CA -2.213 51.037 54.000 -1.250 0.000 0.980 327 D CB 0.108 40.280 40.800 -1.047 0.000 1.106 327 D HN 0.152 nan 8.370 nan 0.000 0.493 328 P HA -0.016 nan 4.420 nan 0.000 0.223 328 P C 0.607 177.791 177.300 -0.193 0.000 1.144 328 P CA 1.696 64.604 63.100 -0.321 0.000 0.783 328 P CB 0.008 31.559 31.700 -0.249 0.000 0.771 329 A N -1.083 121.612 122.820 -0.208 0.000 2.307 329 A HA 0.501 4.821 4.320 -0.000 0.000 0.218 329 A C 1.625 179.151 177.584 -0.096 0.000 1.228 329 A CA 0.481 52.449 52.037 -0.115 0.000 0.857 329 A CB -1.115 17.835 19.000 -0.083 0.000 0.897 329 A HN 0.216 nan 8.150 nan 0.000 0.495 330 G N -1.131 107.599 108.800 -0.118 0.000 2.155 330 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.257 330 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.257 330 G C 0.194 175.051 174.900 -0.073 0.000 0.983 330 G CA 0.339 45.391 45.100 -0.080 0.000 0.676 330 G HN 0.776 nan 8.290 nan 0.000 0.528 331 V N 0.898 120.761 119.914 -0.086 0.000 2.498 331 V HA 0.651 4.771 4.120 -0.000 0.000 0.279 331 V C 1.305 177.333 176.094 -0.111 0.000 1.048 331 V CA 0.058 62.293 62.300 -0.109 0.000 0.967 331 V CB 1.422 33.179 31.823 -0.110 0.000 0.988 331 V HN 0.654 nan 8.190 nan 0.000 0.473 332 G N 2.945 111.655 108.800 -0.149 0.000 2.444 332 G HA2 0.504 4.464 3.960 -0.000 0.000 0.268 332 G HA3 0.504 4.464 3.960 -0.000 0.000 0.268 332 G C -0.908 173.826 174.900 -0.276 0.000 1.203 332 G CA -0.177 44.867 45.100 -0.092 0.000 0.835 332 G HN 0.823 nan 8.290 nan 0.000 0.543 333 H N -0.606 118.476 119.070 0.020 0.000 2.934 333 H HA 0.227 4.783 4.556 -0.000 0.000 0.340 333 H C -0.671 174.634 175.328 -0.037 0.000 1.008 333 H CA -0.679 55.384 56.048 0.024 0.000 1.317 333 H CB 1.435 31.233 29.762 0.060 0.000 1.670 333 H HN 0.551 nan 8.280 nan 0.000 0.516 334 H N 4.720 123.803 119.070 0.022 0.000 3.015 334 H HA 0.120 4.676 4.556 -0.000 0.000 0.268 334 H C -0.436 174.821 175.328 -0.119 0.000 1.113 334 H CA 0.046 56.061 56.048 -0.056 0.000 1.479 334 H CB 0.094 29.835 29.762 -0.034 0.000 1.493 334 H HN 0.424 nan 8.280 nan 0.000 0.486 335 I N 2.991 123.387 120.570 -0.289 0.000 2.863 335 I HA 0.399 4.569 4.170 -0.000 0.000 0.311 335 I C 0.943 176.920 176.117 -0.233 0.000 1.026 335 I CA -0.846 60.252 61.300 -0.337 0.000 1.077 335 I CB 1.783 39.322 38.000 -0.768 0.000 1.262 335 I HN 0.664 nan 8.210 nan 0.000 0.461 336 G N 4.377 113.125 108.800 -0.087 0.000 2.741 336 G HA2 0.605 4.565 3.960 -0.000 0.000 0.293 336 G HA3 0.605 4.565 3.960 -0.000 0.000 0.293 336 G C -1.658 173.282 174.900 0.066 0.000 1.457 336 G CA -0.118 45.003 45.100 0.036 0.000 1.098 336 G HN 0.266 nan 8.290 nan 0.000 0.536 337 I N 2.055 122.703 120.570 0.129 0.000 2.569 337 I HA 0.615 4.785 4.170 -0.000 0.000 0.296 337 I C 1.278 177.453 176.117 0.098 0.000 1.028 337 I CA -0.997 60.382 61.300 0.131 0.000 1.082 337 I CB 2.115 40.238 38.000 0.205 0.000 1.264 337 I HN 0.676 nan 8.210 nan 0.000 0.429 338 R N 6.331 126.875 120.500 0.073 0.000 2.313 338 R HA 0.295 4.635 4.340 -0.000 0.000 0.199 338 R C 0.121 176.450 176.300 0.049 0.000 0.958 338 R CA 0.497 56.630 56.100 0.055 0.000 1.047 338 R CB -1.131 29.195 30.300 0.043 0.000 0.955 338 R HN 0.554 nan 8.270 nan 0.000 0.481 339 L N 1.612 122.869 121.223 0.056 0.000 2.309 339 L HA 0.473 4.813 4.340 -0.000 0.000 0.282 339 L C -2.269 174.615 176.870 0.023 0.000 1.036 339 L CA -2.471 52.394 54.840 0.042 0.000 0.806 339 L CB 2.185 44.275 42.059 0.052 0.000 1.220 339 L HN 0.078 nan 8.230 nan 0.000 0.429 340 P HA 0.371 nan 4.420 nan 0.000 0.278 340 P C -0.272 176.953 177.300 -0.126 0.000 1.258 340 P CA -0.122 62.957 63.100 -0.034 0.000 0.811 340 P CB 1.428 33.122 31.700 -0.010 0.000 1.063 341 G N 0.696 109.367 108.800 -0.216 0.000 3.367 341 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.686 341 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.686 341 G C 0.441 175.018 174.900 -0.537 0.000 1.146 341 G CA -0.237 44.568 45.100 -0.492 0.000 0.913 341 G HN 0.585 nan 8.290 nan 0.000 0.554 342 R N 1.972 122.196 120.500 -0.460 0.000 2.117 342 R HA -0.172 4.168 4.340 -0.000 0.000 0.243 342 R C 2.448 178.606 176.300 -0.237 0.000 1.143 342 R CA 3.335 59.261 56.100 -0.290 0.000 0.968 342 R CB -0.700 29.486 30.300 -0.190 0.000 0.863 342 R HN 1.155 nan 8.270 nan 0.000 0.444 343 Y N -1.616 118.645 120.300 -0.066 0.000 2.509 343 Y HA 0.186 4.736 4.550 -0.000 0.000 0.293 343 Y C 1.302 177.160 175.900 -0.070 0.000 1.133 343 Y CA 0.210 58.271 58.100 -0.066 0.000 1.283 343 Y CB -0.877 37.555 38.460 -0.046 0.000 1.001 343 Y HN -0.001 nan 8.280 nan 0.000 0.555 344 N N 0.672 119.445 118.700 0.121 0.000 2.409 344 N HA -0.073 4.667 4.740 -0.000 0.000 0.179 344 N C 1.787 177.297 175.510 -0.001 0.000 1.032 344 N CA 1.077 54.200 53.050 0.123 0.000 0.898 344 N CB -0.061 38.474 38.487 0.081 0.000 0.971 344 N HN 0.367 nan 8.380 nan 0.000 0.441 345 V N 1.405 121.231 119.914 -0.146 0.000 2.343 345 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 345 V C 2.429 178.389 176.094 -0.223 0.000 1.051 345 V CA 1.787 63.857 62.300 -0.384 0.000 1.036 345 V CB -0.863 30.561 31.823 -0.664 0.000 0.654 345 V HN 0.251 nan 8.190 nan 0.000 0.451 346 A N 0.497 123.255 122.820 -0.103 0.000 1.858 346 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 346 A C 2.088 179.670 177.584 -0.004 0.000 1.190 346 A CA 2.009 54.026 52.037 -0.034 0.000 0.617 346 A CB -0.759 18.248 19.000 0.011 0.000 0.827 346 A HN 0.564 nan 8.150 nan 0.000 0.443 347 N N -0.158 118.557 118.700 0.026 0.000 2.037 347 N HA -0.206 4.534 4.740 -0.000 0.000 0.196 347 N C 1.778 177.301 175.510 0.021 0.000 1.034 347 N CA 1.658 54.723 53.050 0.024 0.000 0.861 347 N CB -1.229 37.289 38.487 0.052 0.000 1.039 347 N HN 0.567 nan 8.380 nan 0.000 0.427 348 C N 0.900 120.231 119.300 0.051 0.000 2.413 348 C HA 0.010 4.470 4.460 -0.000 0.000 0.277 348 C C 2.707 177.735 174.990 0.063 0.000 1.265 348 C CA 0.292 59.368 59.018 0.096 0.000 1.752 348 C CB -1.265 26.617 27.740 0.238 0.000 1.998 348 C HN 0.387 nan 8.230 nan 0.000 0.489 349 L N -0.058 121.197 121.223 0.053 0.000 2.017 349 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 349 L C 2.635 179.398 176.870 -0.178 0.000 1.073 349 L CA 1.362 56.191 54.840 -0.018 0.000 0.745 349 L CB -0.840 41.260 42.059 0.068 0.000 0.894 349 L HN 0.203 nan 8.230 nan 0.000 0.432 350 V N 0.345 120.202 119.914 -0.095 0.000 2.255 350 V HA -0.355 3.765 4.120 -0.000 0.000 0.247 350 V C 2.820 178.829 176.094 -0.142 0.000 1.051 350 V CA 1.994 64.234 62.300 -0.101 0.000 1.018 350 V CB -1.026 30.775 31.823 -0.038 0.000 0.641 350 V HN 0.510 nan 8.190 nan 0.000 0.445 351 A N -0.537 122.221 122.820 -0.103 0.000 1.892 351 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 351 A C 2.269 179.737 177.584 -0.193 0.000 1.188 351 A CA 2.193 54.169 52.037 -0.102 0.000 0.631 351 A CB -0.652 18.321 19.000 -0.046 0.000 0.822 351 A HN 0.495 nan 8.150 nan 0.000 0.447 352 L N -1.010 120.043 121.223 -0.283 0.000 2.012 352 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 352 L C 3.117 179.526 176.870 -0.769 0.000 1.073 352 L CA 1.301 55.852 54.840 -0.483 0.000 0.748 352 L CB -0.435 41.299 42.059 -0.541 0.000 0.891 352 L HN 0.473 nan 8.230 nan 0.000 0.431 353 A N -0.193 122.049 122.820 -0.964 0.000 1.898 353 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 353 A C 2.160 179.566 177.584 -0.298 0.000 1.181 353 A CA 1.344 52.857 52.037 -0.873 0.000 0.620 353 A CB -0.632 17.924 19.000 -0.740 0.000 0.819 353 A HN 0.364 nan 8.150 nan 0.000 0.442 354 I N -0.329 120.113 120.570 -0.213 0.000 2.163 354 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 354 I C 2.410 178.488 176.117 -0.066 0.000 1.085 354 I CA 1.381 62.630 61.300 -0.085 0.000 1.347 354 I CB -0.304 37.662 38.000 -0.057 0.000 1.044 354 I HN 0.309 nan 8.210 nan 0.000 0.408 355 L N 0.077 121.239 121.223 -0.102 0.000 2.046 355 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 355 L C 2.215 179.071 176.870 -0.023 0.000 1.077 355 L CA 1.760 56.563 54.840 -0.061 0.000 0.747 355 L CB -0.624 41.389 42.059 -0.077 0.000 0.896 355 L HN 0.282 nan 8.230 nan 0.000 0.432 356 D N -0.529 119.859 120.400 -0.020 0.000 2.097 356 D HA -0.228 4.412 4.640 -0.000 0.000 0.195 356 D C 2.205 178.558 176.300 0.089 0.000 0.989 356 D CA 1.797 55.848 54.000 0.086 0.000 0.827 356 D CB 0.101 41.056 40.800 0.258 0.000 0.966 356 D HN 0.298 nan 8.370 nan 0.000 0.456 357 T N -1.999 112.601 114.554 0.076 0.000 2.915 357 T HA -0.091 4.259 4.350 -0.000 0.000 0.269 357 T C 1.805 176.531 174.700 0.044 0.000 1.071 357 T CA 0.983 63.124 62.100 0.069 0.000 1.132 357 T CB -0.474 68.435 68.868 0.069 0.000 0.878 357 T HN 0.003 nan 8.240 nan 0.000 0.479 358 V N 1.173 121.104 119.914 0.028 0.000 3.646 358 V HA 0.395 4.515 4.120 -0.000 0.000 0.277 358 V C 1.624 177.729 176.094 0.018 0.000 1.274 358 V CA 0.540 62.852 62.300 0.019 0.000 1.164 358 V CB -0.945 30.883 31.823 0.008 0.000 0.926 358 V HN 0.929 nan 8.190 nan 0.000 0.442 359 G N 0.559 109.376 108.800 0.029 0.000 2.291 359 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.271 359 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.271 359 G C -0.221 174.694 174.900 0.025 0.000 1.099 359 G CA 0.202 45.320 45.100 0.030 0.000 0.919 359 G HN 0.457 nan 8.290 nan 0.000 0.496 360 V N 1.017 120.945 119.914 0.024 0.000 2.482 360 V HA 0.688 4.808 4.120 -0.000 0.000 0.295 360 V C 0.784 176.893 176.094 0.026 0.000 1.026 360 V CA -0.275 62.035 62.300 0.016 0.000 0.856 360 V CB 1.687 33.508 31.823 -0.002 0.000 1.001 360 V HN 1.106 nan 8.190 nan 0.000 0.424 361 S N 5.536 121.258 115.700 0.037 0.000 2.614 361 S HA 0.384 4.854 4.470 -0.000 0.000 0.265 361 S C -1.755 172.853 174.600 0.013 0.000 1.303 361 S CA -0.873 57.356 58.200 0.049 0.000 1.000 361 S CB 1.332 64.573 63.200 0.067 0.000 0.935 361 S HN 0.496 nan 8.310 nan 0.000 0.551 362 P HA 0.011 nan 4.420 nan 0.000 0.221 362 P C 0.906 178.213 177.300 0.011 0.000 1.150 362 P CA 0.968 64.025 63.100 -0.071 0.000 0.800 362 P CB -0.005 31.520 31.700 -0.292 0.000 0.787 363 E N -0.231 120.011 120.200 0.070 0.000 2.077 363 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 363 E C 2.083 178.711 176.600 0.046 0.000 0.989 363 E CA 1.248 57.700 56.400 0.086 0.000 0.800 363 E CB -0.727 29.035 29.700 0.103 0.000 0.746 363 E HN 0.396 nan 8.360 nan 0.000 0.452 364 Q N -0.404 119.416 119.800 0.034 0.000 2.172 364 Q HA 0.027 4.367 4.340 -0.000 0.000 0.200 364 Q C 1.966 177.972 176.000 0.010 0.000 0.964 364 Q CA 1.288 57.103 55.803 0.020 0.000 0.855 364 Q CB 0.022 28.770 28.738 0.017 0.000 0.918 364 Q HN 0.294 nan 8.270 nan 0.000 0.444 365 A N -0.061 122.761 122.820 0.003 0.000 2.044 365 A HA 0.020 4.340 4.320 -0.000 0.000 0.213 365 A C 2.107 179.690 177.584 -0.002 0.000 1.169 365 A CA 0.155 52.188 52.037 -0.007 0.000 0.724 365 A CB -0.293 18.692 19.000 -0.024 0.000 0.840 365 A HN 0.215 nan 8.150 nan 0.000 0.463 366 V N 1.041 120.957 119.914 0.004 0.000 2.469 366 V HA -0.140 3.980 4.120 -0.000 0.000 0.251 366 V C -0.613 175.488 176.094 0.011 0.000 1.064 366 V CA 2.584 64.887 62.300 0.006 0.000 1.066 366 V CB -0.639 31.195 31.823 0.019 0.000 0.667 366 V HN 0.409 nan 8.190 nan 0.000 0.461 367 P HA -0.030 nan 4.420 nan 0.000 0.219 367 P C 1.632 178.940 177.300 0.014 0.000 1.150 367 P CA 1.576 64.684 63.100 0.013 0.000 0.814 367 P CB -0.337 31.370 31.700 0.011 0.000 0.787 368 G N 0.064 108.871 108.800 0.012 0.000 2.404 368 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.214 368 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.214 368 G C 1.300 176.214 174.900 0.023 0.000 1.189 368 G CA 0.476 45.584 45.100 0.014 0.000 0.789 368 G HN 0.092 nan 8.290 nan 0.000 0.533 369 L N 0.673 121.909 121.223 0.021 0.000 2.079 369 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 369 L C 2.809 179.703 176.870 0.040 0.000 1.081 369 L CA 1.208 56.068 54.840 0.033 0.000 0.752 369 L CB -1.058 41.016 42.059 0.025 0.000 0.896 369 L HN 0.187 nan 8.230 nan 0.000 0.433 370 R N -0.409 120.110 120.500 0.031 0.000 2.105 370 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 370 R C 2.006 178.327 176.300 0.036 0.000 1.135 370 R CA 1.503 57.624 56.100 0.034 0.000 0.967 370 R CB 0.045 30.361 30.300 0.026 0.000 0.861 370 R HN 0.523 nan 8.270 nan 0.000 0.442 371 E N 0.168 120.387 120.200 0.033 0.000 2.166 371 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 371 E C 0.831 177.454 176.600 0.038 0.000 0.967 371 E CA -0.141 56.278 56.400 0.031 0.000 0.840 371 E CB -0.384 29.332 29.700 0.026 0.000 0.795 371 E HN 0.145 nan 8.360 nan 0.000 0.470 372 I N 2.798 123.396 120.570 0.047 0.000 2.821 372 I HA -0.145 4.025 4.170 -0.000 0.000 0.294 372 I C 0.362 176.512 176.117 0.054 0.000 1.210 372 I CA 0.568 61.906 61.300 0.064 0.000 1.430 372 I CB 0.193 38.245 38.000 0.088 0.000 1.356 372 I HN -0.124 nan 8.210 nan 0.000 0.563 373 R N 7.690 128.217 120.500 0.043 0.000 2.320 373 R HA 0.403 4.743 4.340 -0.000 0.000 0.319 373 R C -1.535 174.744 176.300 -0.035 0.000 0.969 373 R CA -0.672 55.434 56.100 0.010 0.000 0.857 373 R CB 1.313 31.618 30.300 0.009 0.000 1.160 373 R HN 0.562 nan 8.270 nan 0.000 0.491 374 V N 6.428 126.283 119.914 -0.098 0.000 2.488 374 V HA 0.429 4.549 4.120 -0.000 0.000 0.277 374 V C -2.202 173.717 176.094 -0.292 0.000 1.046 374 V CA -1.947 60.159 62.300 -0.322 0.000 0.986 374 V CB 1.252 32.854 31.823 -0.368 0.000 0.989 374 V HN 0.685 nan 8.190 nan 0.000 0.475 375 P HA 0.307 nan 4.420 nan 0.000 0.276 375 P C 0.783 177.971 177.300 -0.187 0.000 1.235 375 P CA 1.115 64.092 63.100 -0.205 0.000 0.772 375 P CB 1.158 32.758 31.700 -0.166 0.000 0.871 376 G N 2.715 111.476 108.800 -0.064 0.000 2.196 376 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.268 376 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.268 376 G C 0.091 174.988 174.900 -0.005 0.000 0.975 376 G CA -0.124 44.973 45.100 -0.005 0.000 0.648 376 G HN 0.599 nan 8.290 nan 0.000 0.538 377 R N -0.039 120.427 120.500 -0.057 0.000 2.288 377 R HA 0.490 4.830 4.340 -0.000 0.000 0.326 377 R C 0.666 176.974 176.300 0.014 0.000 0.959 377 R CA -1.474 54.616 56.100 -0.017 0.000 0.834 377 R CB 0.746 31.007 30.300 -0.065 0.000 1.157 377 R HN 0.331 nan 8.270 nan 0.000 0.470 378 L N 1.322 122.577 121.223 0.054 0.000 4.146 378 L HA -0.246 4.094 4.340 -0.000 0.000 0.476 378 L C 0.507 177.400 176.870 0.039 0.000 1.127 378 L CA 1.127 56.002 54.840 0.059 0.000 0.669 378 L CB -1.749 40.354 42.059 0.074 0.000 1.517 378 L HN 0.712 nan 8.230 nan 0.000 0.782 379 E N 1.398 121.618 120.200 0.032 0.000 2.152 379 E HA 0.234 4.584 4.350 -0.000 0.000 0.285 379 E C 0.279 176.900 176.600 0.036 0.000 1.043 379 E CA -0.514 55.899 56.400 0.023 0.000 0.839 379 E CB 0.570 30.277 29.700 0.011 0.000 1.069 379 E HN 0.517 nan 8.360 nan 0.000 0.399 380 Q N 4.631 124.450 119.800 0.032 0.000 2.296 380 Q HA 0.320 4.660 4.340 -0.000 0.000 0.257 380 Q C -0.225 175.789 176.000 0.024 0.000 0.942 380 Q CA -0.657 55.168 55.803 0.036 0.000 0.939 380 Q CB 1.192 29.950 28.738 0.033 0.000 1.198 380 Q HN 0.383 nan 8.270 nan 0.000 0.429 381 I N 3.604 124.191 120.570 0.028 0.000 2.315 381 I HA 0.092 4.262 4.170 -0.000 0.000 0.291 381 I C 0.402 176.512 176.117 -0.011 0.000 1.006 381 I CA -0.425 60.883 61.300 0.013 0.000 1.265 381 I CB 0.915 38.929 38.000 0.024 0.000 1.387 381 I HN 0.868 nan 8.210 nan 0.000 0.475 382 D N 5.376 125.759 120.400 -0.028 0.000 2.620 382 D HA 0.018 4.658 4.640 -0.000 0.000 0.260 382 D C 0.347 176.607 176.300 -0.067 0.000 1.367 382 D CA -0.509 53.455 54.000 -0.060 0.000 0.805 382 D CB 0.220 40.989 40.800 -0.051 0.000 1.096 382 D HN 0.348 nan 8.370 nan 0.000 0.488 383 R N 1.071 121.541 120.500 -0.050 0.000 2.486 383 R HA 0.292 4.632 4.340 -0.000 0.000 0.304 383 R C 1.274 177.529 176.300 -0.074 0.000 0.913 383 R CA 1.529 57.601 56.100 -0.048 0.000 1.124 383 R CB -0.086 30.195 30.300 -0.032 0.000 0.891 383 R HN 0.438 nan 8.270 nan 0.000 0.410 384 G N 0.508 109.266 108.800 -0.070 0.000 2.498 384 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.245 384 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.245 384 G C -0.620 174.209 174.900 -0.119 0.000 1.204 384 G CA 0.029 45.075 45.100 -0.090 0.000 0.933 384 G HN 0.929 nan 8.290 nan 0.000 0.574 385 Q N -2.700 116.997 119.800 -0.171 0.000 2.832 385 Q HA 0.937 5.277 4.340 -0.000 0.000 0.322 385 Q C 1.047 176.867 176.000 -0.300 0.000 0.842 385 Q CA 0.926 56.617 55.803 -0.186 0.000 0.780 385 Q CB 0.621 29.296 28.738 -0.105 0.000 1.411 385 Q HN 2.937 nan 8.270 nan 0.000 0.490 386 G N -1.134 107.528 108.800 -0.230 0.000 2.472 386 G HA2 0.294 4.254 3.960 -0.000 0.000 0.217 386 G HA3 0.294 4.254 3.960 -0.000 0.000 0.217 386 G C -0.027 174.830 174.900 -0.072 0.000 2.125 386 G CA 0.635 45.640 45.100 -0.159 0.000 1.637 386 G HN 2.017 nan 8.290 nan 0.000 0.548 387 F N 0.149 120.101 119.950 0.003 0.000 2.557 387 F HA 0.909 5.436 4.527 0.000 0.000 0.336 387 F C -0.226 175.592 175.800 0.030 0.000 1.058 387 F CA -1.862 56.147 58.000 0.014 0.000 0.988 387 F CB 1.049 40.061 39.000 0.021 0.000 1.275 387 F HN 0.306 nan 8.300 nan 0.000 0.488 388 L N 2.440 123.838 121.223 0.291 0.000 2.315 388 L HA 0.588 4.928 4.340 -0.000 0.000 0.283 388 L C -0.231 176.807 176.870 0.279 0.000 1.089 388 L CA -0.834 54.119 54.840 0.189 0.000 0.833 388 L CB -0.191 41.951 42.059 0.139 0.000 1.170 388 L HN 0.861 nan 8.230 nan 0.000 0.442 389 A N 6.029 128.971 122.820 0.202 0.000 2.258 389 A HA 0.704 5.024 4.320 -0.000 0.000 0.316 389 A C -1.013 176.650 177.584 0.131 0.000 1.279 389 A CA -0.447 51.721 52.037 0.217 0.000 0.876 389 A CB 0.494 19.625 19.000 0.219 0.000 1.170 389 A HN 0.536 nan 8.150 nan 0.000 0.520 390 L N 2.496 123.796 121.223 0.129 0.000 2.354 390 L HA 0.625 4.965 4.340 -0.000 0.000 0.269 390 L C -0.371 176.558 176.870 0.098 0.000 1.005 390 L CA -0.422 54.477 54.840 0.098 0.000 0.819 390 L CB 2.268 44.383 42.059 0.092 0.000 1.311 390 L HN 0.424 nan 8.230 nan 0.000 0.423 391 V N 1.742 121.706 119.914 0.084 0.000 2.459 391 V HA 0.632 4.752 4.120 -0.000 0.000 0.295 391 V C -1.049 175.097 176.094 0.086 0.000 1.029 391 V CA -0.505 61.849 62.300 0.091 0.000 0.874 391 V CB 1.838 33.712 31.823 0.085 0.000 0.985 391 V HN 0.765 nan 8.190 nan 0.000 0.438 392 D N 1.480 121.939 120.400 0.099 0.000 2.857 392 D HA 0.293 4.933 4.640 -0.000 0.000 0.227 392 D C -0.168 176.209 176.300 0.128 0.000 1.192 392 D CA -0.513 53.547 54.000 0.099 0.000 0.857 392 D CB 1.687 42.534 40.800 0.078 0.000 1.645 392 D HN 0.380 nan 8.370 nan 0.000 0.482 393 Y N 2.807 123.074 120.300 -0.055 0.000 2.516 393 Y HA 0.344 4.894 4.550 0.000 0.000 0.291 393 Y C 0.883 176.638 175.900 -0.241 0.000 1.131 393 Y CA 0.578 58.596 58.100 -0.136 0.000 1.281 393 Y CB -0.410 37.946 38.460 -0.173 0.000 1.013 393 Y HN 0.509 nan 8.280 nan 0.000 0.554 394 A N 1.714 124.449 122.820 -0.142 0.000 2.519 394 A HA -0.112 4.207 4.320 -0.000 0.000 0.275 394 A C 0.351 177.842 177.584 -0.156 0.000 1.082 394 A CA 1.030 52.964 52.037 -0.171 0.000 0.841 394 A CB -1.082 17.862 19.000 -0.093 0.000 0.984 394 A HN 0.676 nan 8.150 nan 0.000 0.531 395 H N 0.512 119.393 119.070 -0.315 0.000 3.058 395 H HA 0.406 4.962 4.556 -0.000 0.000 0.266 395 H C -0.053 175.143 175.328 -0.219 0.000 1.135 395 H CA -0.309 55.574 56.048 -0.276 0.000 1.174 395 H CB -0.000 29.545 29.762 -0.361 0.000 1.581 395 H HN 0.524 nan 8.280 nan 0.000 0.553 396 K N 0.952 121.324 120.400 -0.047 0.000 2.385 396 K HA 0.286 4.606 4.320 -0.000 0.000 0.248 396 K C -2.211 174.309 176.600 -0.132 0.000 0.955 396 K CA -2.026 54.157 56.287 -0.173 0.000 0.816 396 K CB 2.762 35.099 32.500 -0.271 0.000 1.250 396 K HN -0.222 nan 8.250 nan 0.000 0.434 397 P HA -0.279 nan 4.420 nan 0.000 0.216 397 P C 1.167 178.415 177.300 -0.088 0.000 1.157 397 P CA 1.500 64.536 63.100 -0.106 0.000 0.880 397 P CB 0.273 31.926 31.700 -0.079 0.000 0.791 398 E N 0.669 120.824 120.200 -0.076 0.000 2.051 398 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 398 E C 1.950 178.513 176.600 -0.063 0.000 0.991 398 E CA 2.071 58.440 56.400 -0.052 0.000 0.799 398 E CB -1.474 28.209 29.700 -0.028 0.000 0.748 398 E HN 0.148 nan 8.360 nan 0.000 0.449 399 A N 1.598 124.376 122.820 -0.069 0.000 1.892 399 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 399 A C 2.390 179.924 177.584 -0.083 0.000 1.188 399 A CA 2.009 54.004 52.037 -0.070 0.000 0.631 399 A CB -0.904 18.080 19.000 -0.026 0.000 0.822 399 A HN 0.328 nan 8.150 nan 0.000 0.447 400 L N -0.006 121.151 121.223 -0.109 0.000 2.027 400 L HA -0.126 4.214 4.340 -0.000 0.000 0.206 400 L C 2.546 179.366 176.870 -0.084 0.000 1.074 400 L CA 2.548 57.303 54.840 -0.141 0.000 0.745 400 L CB -0.628 41.277 42.059 -0.257 0.000 0.898 400 L HN 0.543 nan 8.230 nan 0.000 0.433 401 R N -0.274 120.186 120.500 -0.067 0.000 2.094 401 R HA -0.204 4.136 4.340 -0.000 0.000 0.239 401 R C 2.359 178.663 176.300 0.008 0.000 1.137 401 R CA 2.320 58.402 56.100 -0.029 0.000 0.943 401 R CB -0.863 29.423 30.300 -0.024 0.000 0.850 401 R HN 0.627 nan 8.270 nan 0.000 0.433 402 S N -0.001 115.704 115.700 0.008 0.000 2.356 402 S HA -0.111 4.359 4.470 -0.000 0.000 0.223 402 S C 2.108 176.829 174.600 0.202 0.000 1.032 402 S CA 1.344 59.587 58.200 0.071 0.000 1.005 402 S CB -0.757 62.425 63.200 -0.030 0.000 0.867 402 S HN 0.197 nan 8.310 nan 0.000 0.449 403 V N 2.714 122.718 119.914 0.149 0.000 2.255 403 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 403 V C 2.668 178.836 176.094 0.124 0.000 1.051 403 V CA 2.002 64.427 62.300 0.209 0.000 1.018 403 V CB -1.041 30.848 31.823 0.109 0.000 0.641 403 V HN 0.476 nan 8.190 nan 0.000 0.445 404 L N -0.065 121.194 121.223 0.061 0.000 2.127 404 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 404 L C 2.589 179.489 176.870 0.050 0.000 1.089 404 L CA 2.034 56.899 54.840 0.043 0.000 0.757 404 L CB -1.047 41.020 42.059 0.014 0.000 0.899 404 L HN 0.458 nan 8.230 nan 0.000 0.434 405 T N -1.477 113.111 114.554 0.057 0.000 2.770 405 T HA -0.132 4.218 4.350 -0.000 0.000 0.263 405 T C 1.842 176.559 174.700 0.028 0.000 1.039 405 T CA 1.759 63.886 62.100 0.045 0.000 1.142 405 T CB -0.460 68.438 68.868 0.049 0.000 0.868 405 T HN 0.484 nan 8.240 nan 0.000 0.435 406 T N 0.739 115.310 114.554 0.028 0.000 3.007 406 T HA 0.060 4.410 4.350 -0.000 0.000 0.270 406 T C 1.532 176.199 174.700 -0.056 0.000 1.107 406 T CA 0.627 62.680 62.100 -0.078 0.000 1.118 406 T CB -0.278 68.411 68.868 -0.299 0.000 0.889 406 T HN 0.116 nan 8.240 nan 0.000 0.506 407 L N 0.250 121.477 121.223 0.007 0.000 2.616 407 L HA 0.544 4.884 4.340 -0.000 0.000 0.229 407 L C 1.268 178.179 176.870 0.068 0.000 1.110 407 L CA -0.056 54.805 54.840 0.035 0.000 0.884 407 L CB -0.170 41.920 42.059 0.052 0.000 1.115 407 L HN 0.284 nan 8.230 nan 0.000 0.481 408 A N -0.915 121.942 122.820 0.063 0.000 2.328 408 A HA 0.452 4.772 4.320 -0.000 0.000 0.284 408 A C -0.705 176.954 177.584 0.124 0.000 1.160 408 A CA 0.004 52.094 52.037 0.089 0.000 0.818 408 A CB -0.230 18.810 19.000 0.066 0.000 1.087 408 A HN 0.416 nan 8.150 nan 0.000 0.504 409 H N 3.315 122.401 119.070 0.027 0.000 2.877 409 H HA 0.461 5.017 4.556 -0.000 0.000 0.347 409 H C -2.666 172.677 175.328 0.025 0.000 1.042 409 H CA -2.058 54.002 56.048 0.020 0.000 1.276 409 H CB 2.056 31.829 29.762 0.018 0.000 1.681 409 H HN 0.539 nan 8.280 nan 0.000 0.521 410 P HA -0.030 nan 4.420 nan 0.000 0.268 410 P C -0.314 177.048 177.300 0.103 0.000 1.208 410 P CA 0.443 63.663 63.100 0.200 0.000 0.777 410 P CB 0.619 32.420 31.700 0.168 0.000 0.875 411 D N -2.072 118.337 120.400 0.016 0.000 3.041 411 D HA -0.173 4.467 4.640 -0.000 0.000 0.220 411 D C 0.362 176.591 176.300 -0.119 0.000 1.157 411 D CA 1.767 55.731 54.000 -0.060 0.000 0.876 411 D CB -1.248 39.506 40.800 -0.076 0.000 1.107 411 D HN 0.778 nan 8.370 nan 0.000 0.422 412 R N 0.244 120.701 120.500 -0.071 0.000 2.548 412 R HA 0.704 5.044 4.340 -0.000 0.000 0.280 412 R C -0.227 176.088 176.300 0.025 0.000 1.061 412 R CA -0.642 55.427 56.100 -0.051 0.000 0.915 412 R CB 1.097 31.352 30.300 -0.075 0.000 1.210 412 R HN 0.034 nan 8.270 nan 0.000 0.442 413 R N 0.829 121.347 120.500 0.029 0.000 2.459 413 R HA 0.667 5.007 4.340 -0.000 0.000 0.281 413 R C -0.498 175.952 176.300 0.250 0.000 1.050 413 R CA -0.531 55.650 56.100 0.135 0.000 1.055 413 R CB 1.421 31.751 30.300 0.050 0.000 1.045 413 R HN 0.568 nan 8.270 nan 0.000 0.495 414 L N 2.023 123.433 121.223 0.311 0.000 2.406 414 L HA 0.552 4.892 4.340 -0.000 0.000 0.270 414 L C -1.073 175.872 176.870 0.125 0.000 0.982 414 L CA -0.578 54.396 54.840 0.224 0.000 0.843 414 L CB 1.617 43.755 42.059 0.132 0.000 1.225 414 L HN 0.761 nan 8.230 nan 0.000 0.412 415 A N 4.747 127.573 122.820 0.010 0.000 2.301 415 A HA 0.763 5.083 4.320 -0.000 0.000 0.312 415 A C -0.901 176.619 177.584 -0.106 0.000 1.182 415 A CA -0.416 51.420 52.037 -0.335 0.000 0.826 415 A CB 1.441 19.970 19.000 -0.785 0.000 1.134 415 A HN 0.418 nan 8.150 nan 0.000 0.501 416 V N 2.889 122.757 119.914 -0.077 0.000 2.487 416 V HA 0.562 4.682 4.120 -0.000 0.000 0.298 416 V C -0.327 175.824 176.094 0.095 0.000 1.028 416 V CA -0.590 61.743 62.300 0.055 0.000 0.860 416 V CB 1.378 33.274 31.823 0.122 0.000 0.991 416 V HN 0.950 nan 8.190 nan 0.000 0.427 417 V N 7.237 127.227 119.914 0.127 0.000 2.487 417 V HA 0.957 5.077 4.120 -0.000 0.000 0.298 417 V C -1.011 175.220 176.094 0.228 0.000 1.028 417 V CA -0.360 62.000 62.300 0.101 0.000 0.860 417 V CB 1.248 33.091 31.823 0.033 0.000 0.991 417 V HN 0.959 nan 8.190 nan 0.000 0.427 418 F N 3.792 123.726 119.950 -0.028 0.000 2.858 418 F HA 1.013 5.540 4.527 -0.000 0.000 0.319 418 F C -0.332 175.444 175.800 -0.041 0.000 1.166 418 F CA -0.100 57.885 58.000 -0.025 0.000 0.899 418 F CB 0.963 39.952 39.000 -0.018 0.000 1.332 418 F HN 0.944 nan 8.300 nan 0.000 0.461 419 G N -0.239 108.570 108.800 0.015 0.000 2.663 419 G HA2 0.825 4.785 3.960 -0.000 0.000 0.299 419 G HA3 0.825 4.785 3.960 -0.000 0.000 0.299 419 G C -2.289 172.676 174.900 0.108 0.000 1.372 419 G CA -0.497 44.537 45.100 -0.110 0.000 0.781 419 G HN 1.365 nan 8.290 nan 0.000 0.491 420 A N -1.280 121.559 122.820 0.032 0.000 2.384 420 A HA 0.938 5.258 4.320 -0.000 0.000 0.312 420 A C 0.495 178.082 177.584 0.005 0.000 1.113 420 A CA 0.136 52.202 52.037 0.048 0.000 0.779 420 A CB 1.383 20.412 19.000 0.050 0.000 1.307 420 A HN 1.783 nan 8.150 nan 0.000 0.436 429 R N 0.855 121.359 120.500 0.006 0.000 2.082 429 R HA 0.429 4.769 4.340 -0.000 0.000 0.228 429 R C 2.802 179.131 176.300 0.047 0.000 1.140 429 R CA 2.721 58.843 56.100 0.037 0.000 0.920 429 R CB -1.585 28.727 30.300 0.021 0.000 0.828 429 R HN 1.289 nan 8.270 nan 0.000 0.430 430 A N 1.248 124.082 122.820 0.023 0.000 1.948 430 A HA -0.075 4.245 4.320 -0.000 0.000 0.220 430 A C 0.376 177.974 177.584 0.023 0.000 1.177 430 A CA 1.837 53.887 52.037 0.021 0.000 0.636 430 A CB -1.206 17.798 19.000 0.007 0.000 0.815 430 A HN 0.506 nan 8.150 nan 0.000 0.449 431 P HA -0.178 nan 4.420 nan 0.000 0.214 431 P C 1.745 179.051 177.300 0.011 0.000 1.163 431 P CA 1.423 64.525 63.100 0.003 0.000 0.883 431 P CB -0.241 31.451 31.700 -0.014 0.000 0.788 432 M N -1.214 118.398 119.600 0.020 0.000 2.080 432 M HA -0.107 4.373 4.480 -0.000 0.000 0.260 432 M C 2.319 178.685 176.300 0.109 0.000 1.068 432 M CA 2.287 57.592 55.300 0.009 0.000 1.109 432 M CB -1.605 30.997 32.600 0.003 0.000 1.342 432 M HN 0.016 nan 8.290 nan 0.000 0.405 433 G N 0.196 109.112 108.800 0.192 0.000 2.442 433 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 433 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 433 G C 1.740 176.700 174.900 0.100 0.000 1.141 433 G CA 1.699 46.913 45.100 0.191 0.000 0.763 433 G HN 0.513 nan 8.290 nan 0.000 0.554 434 R N 0.703 121.238 120.500 0.057 0.000 2.070 434 R HA 0.095 4.435 4.340 -0.000 0.000 0.233 434 R C 2.522 178.838 176.300 0.026 0.000 1.137 434 R CA 1.657 57.777 56.100 0.032 0.000 0.945 434 R CB -1.150 29.161 30.300 0.018 0.000 0.845 434 R HN 0.453 nan 8.270 nan 0.000 0.430 435 I N 0.951 121.528 120.570 0.012 0.000 2.208 435 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 435 I C 3.112 179.230 176.117 0.002 0.000 1.097 435 I CA 1.554 62.850 61.300 -0.007 0.000 1.363 435 I CB -0.391 37.584 38.000 -0.040 0.000 1.051 435 I HN 0.501 nan 8.210 nan 0.000 0.413 436 A N 0.709 123.541 122.820 0.021 0.000 1.883 436 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 436 A C 2.562 180.183 177.584 0.062 0.000 1.186 436 A CA 2.126 54.202 52.037 0.065 0.000 0.624 436 A CB -1.085 18.052 19.000 0.229 0.000 0.822 436 A HN 0.440 nan 8.150 nan 0.000 0.444 437 A N -1.081 121.774 122.820 0.059 0.000 1.940 437 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 437 A C 2.176 179.779 177.584 0.032 0.000 1.176 437 A CA 2.047 54.108 52.037 0.040 0.000 0.631 437 A CB -0.537 18.483 19.000 0.032 0.000 0.814 437 A HN 0.668 nan 8.150 nan 0.000 0.446 438 Q N -1.192 118.624 119.800 0.028 0.000 2.123 438 Q HA 0.077 4.417 4.340 -0.000 0.000 0.199 438 Q C 1.548 177.565 176.000 0.028 0.000 0.966 438 Q CA 1.239 57.057 55.803 0.024 0.000 0.845 438 Q CB -0.035 28.713 28.738 0.018 0.000 0.907 438 Q HN 0.630 nan 8.270 nan 0.000 0.439 439 L N -0.772 120.468 121.223 0.029 0.000 2.701 439 L HA 0.425 4.765 4.340 -0.000 0.000 0.238 439 L C 0.213 177.109 176.870 0.043 0.000 1.106 439 L CA -0.200 54.659 54.840 0.032 0.000 0.898 439 L CB 0.834 42.907 42.059 0.023 0.000 1.188 439 L HN 0.039 nan 8.230 nan 0.000 0.508 440 A N -0.632 122.212 122.820 0.041 0.000 2.311 440 A HA 0.416 4.736 4.320 -0.000 0.000 0.334 440 A C -0.197 177.416 177.584 0.049 0.000 1.139 440 A CA -0.401 51.662 52.037 0.042 0.000 0.830 440 A CB 0.707 19.721 19.000 0.024 0.000 1.234 440 A HN 0.162 nan 8.150 nan 0.000 0.483 441 D N -0.243 120.202 120.400 0.075 0.000 2.240 441 D HA 0.128 4.768 4.640 -0.000 0.000 0.206 441 D C 0.137 176.465 176.300 0.047 0.000 0.963 441 D CA 0.621 54.693 54.000 0.120 0.000 0.863 441 D CB 0.326 41.282 40.800 0.261 0.000 0.973 441 D HN 0.257 nan 8.370 nan 0.000 0.501 442 L N 1.562 122.692 121.223 -0.155 0.000 2.376 442 L HA 0.472 4.812 4.340 -0.000 0.000 0.275 442 L C -1.315 175.400 176.870 -0.257 0.000 0.987 442 L CA -0.943 53.684 54.840 -0.356 0.000 0.828 442 L CB 1.850 43.275 42.059 -1.057 0.000 1.249 442 L HN -0.128 nan 8.230 nan 0.000 0.409 443 V N 4.822 124.650 119.914 -0.144 0.000 2.459 443 V HA 0.631 4.751 4.120 -0.000 0.000 0.295 443 V C -0.961 175.050 176.094 -0.138 0.000 1.029 443 V CA -0.295 61.956 62.300 -0.081 0.000 0.874 443 V CB 1.923 33.768 31.823 0.036 0.000 0.985 443 V HN 0.446 nan 8.190 nan 0.000 0.438 444 V N 6.350 126.173 119.914 -0.151 0.000 2.378 444 V HA 0.438 4.558 4.120 -0.000 0.000 0.288 444 V C 0.022 175.943 176.094 -0.288 0.000 1.016 444 V CA -0.527 61.660 62.300 -0.189 0.000 0.840 444 V CB 1.541 33.285 31.823 -0.131 0.000 0.994 444 V HN 0.810 nan 8.190 nan 0.000 0.431 445 V N 5.316 125.043 119.914 -0.311 0.000 2.406 445 V HA 0.589 4.709 4.120 -0.000 0.000 0.272 445 V C 0.463 176.384 176.094 -0.288 0.000 1.043 445 V CA 0.117 62.171 62.300 -0.409 0.000 0.915 445 V CB 1.267 32.880 31.823 -0.351 0.000 0.988 445 V HN 1.043 nan 8.190 nan 0.000 0.466 446 T N 2.226 116.602 114.554 -0.296 0.000 2.742 446 T HA 0.422 4.772 4.350 -0.000 0.000 0.282 446 T C -1.166 173.428 174.700 -0.176 0.000 1.025 446 T CA -0.886 61.096 62.100 -0.197 0.000 1.020 446 T CB 1.444 70.216 68.868 -0.161 0.000 1.317 446 T HN 0.508 nan 8.240 nan 0.000 0.538 447 D N 1.743 122.050 120.400 -0.155 0.000 2.256 447 D HA 0.478 5.118 4.640 -0.000 0.000 0.250 447 D C -0.770 175.436 176.300 -0.157 0.000 1.093 447 D CA 0.036 53.951 54.000 -0.142 0.000 0.882 447 D CB 1.217 41.936 40.800 -0.135 0.000 1.185 447 D HN 0.620 nan 8.370 nan 0.000 0.437 448 D N 1.642 121.977 120.400 -0.108 0.000 2.346 448 D HA 0.099 4.739 4.640 -0.000 0.000 0.255 448 D C -0.837 175.429 176.300 -0.057 0.000 1.276 448 D CA -0.553 53.395 54.000 -0.088 0.000 0.941 448 D CB -0.227 40.560 40.800 -0.022 0.000 1.199 448 D HN 0.153 nan 8.370 nan 0.000 0.537 449 N N 3.829 122.486 118.700 -0.072 0.000 2.681 449 N HA -0.120 4.620 4.740 -0.000 0.000 0.259 449 N C -1.803 173.686 175.510 -0.036 0.000 1.066 449 N CA 0.532 53.556 53.050 -0.043 0.000 0.717 449 N CB -0.460 38.016 38.487 -0.018 0.000 0.885 449 N HN 0.493 nan 8.380 nan 0.000 0.547 450 P HA -0.141 nan 4.420 nan 0.000 0.221 450 P C 0.691 177.976 177.300 -0.025 0.000 1.145 450 P CA 0.986 64.064 63.100 -0.037 0.000 0.795 450 P CB 0.278 31.952 31.700 -0.044 0.000 0.775 456 T N -0.383 114.144 114.554 -0.044 0.000 3.023 456 T HA 0.155 4.505 4.350 -0.000 0.000 0.266 456 T C 1.712 176.386 174.700 -0.043 0.000 1.093 456 T CA 1.194 63.266 62.100 -0.047 0.000 1.129 456 T CB -0.284 68.559 68.868 -0.040 0.000 0.899 456 T HN 0.296 nan 8.240 nan 0.000 0.491 457 A N 2.078 124.876 122.820 -0.036 0.000 1.835 457 A HA -0.026 4.294 4.320 -0.000 0.000 0.215 457 A C 2.222 179.786 177.584 -0.035 0.000 1.199 457 A CA 1.296 53.315 52.037 -0.031 0.000 0.615 457 A CB -0.936 18.050 19.000 -0.024 0.000 0.838 457 A HN 0.471 nan 8.150 nan 0.000 0.444 458 I N -0.604 119.944 120.570 -0.037 0.000 2.091 458 I HA -0.387 3.783 4.170 -0.000 0.000 0.240 458 I C 2.809 178.894 176.117 -0.053 0.000 1.046 458 I CA 2.099 63.375 61.300 -0.039 0.000 1.306 458 I CB -0.491 37.484 38.000 -0.042 0.000 1.018 458 I HN 0.306 nan 8.210 nan 0.000 0.404 459 R N 0.332 120.789 120.500 -0.072 0.000 2.091 459 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 459 R C 2.714 178.968 176.300 -0.078 0.000 1.136 459 R CA 1.907 57.948 56.100 -0.097 0.000 0.959 459 R CB -0.644 29.590 30.300 -0.109 0.000 0.856 459 R HN 0.443 nan 8.270 nan 0.000 0.437 460 R N 1.059 121.524 120.500 -0.058 0.000 2.193 460 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 460 R C 2.104 178.382 176.300 -0.036 0.000 1.110 460 R CA 1.965 58.038 56.100 -0.046 0.000 0.988 460 R CB -1.533 28.745 30.300 -0.037 0.000 0.871 460 R HN 0.634 nan 8.270 nan 0.000 0.458 461 E N 0.879 121.060 120.200 -0.032 0.000 2.122 461 E HA 0.106 4.456 4.350 -0.000 0.000 0.190 461 E C 2.064 178.657 176.600 -0.012 0.000 0.977 461 E CA 1.003 57.392 56.400 -0.019 0.000 0.820 461 E CB -0.401 29.291 29.700 -0.013 0.000 0.770 461 E HN 0.713 nan 8.360 nan 0.000 0.462 462 I N 0.337 120.895 120.570 -0.021 0.000 2.226 462 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 462 I C 2.647 178.755 176.117 -0.016 0.000 1.100 462 I CA 1.077 62.374 61.300 -0.005 0.000 1.374 462 I CB -0.227 37.741 38.000 -0.052 0.000 1.057 462 I HN 0.172 nan 8.210 nan 0.000 0.413 463 L N 0.718 121.913 121.223 -0.045 0.000 2.275 463 L HA -0.118 4.222 4.340 -0.000 0.000 0.215 463 L C 2.813 179.669 176.870 -0.022 0.000 1.119 463 L CA 0.839 55.654 54.840 -0.043 0.000 0.790 463 L CB -0.693 41.331 42.059 -0.058 0.000 0.919 463 L HN 0.230 nan 8.230 nan 0.000 0.443 464 A N 0.598 123.408 122.820 -0.017 0.000 1.877 464 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 464 A C 2.460 180.044 177.584 -0.001 0.000 1.186 464 A CA 1.630 53.662 52.037 -0.009 0.000 0.620 464 A CB -1.274 17.721 19.000 -0.009 0.000 0.822 464 A HN 0.404 nan 8.150 nan 0.000 0.443 465 G N -0.428 108.377 108.800 0.008 0.000 2.475 465 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.220 465 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.220 465 G C 1.655 176.567 174.900 0.019 0.000 1.125 465 G CA 1.463 46.575 45.100 0.019 0.000 0.755 465 G HN 0.848 nan 8.290 nan 0.000 0.565 466 A N 1.058 123.887 122.820 0.014 0.000 2.015 466 A HA 0.325 4.645 4.320 -0.000 0.000 0.219 466 A C 2.794 180.381 177.584 0.005 0.000 1.163 466 A CA 1.885 53.928 52.037 0.011 0.000 0.646 466 A CB -0.655 18.343 19.000 -0.004 0.000 0.806 466 A HN 0.856 nan 8.150 nan 0.000 0.448 467 A N 0.914 123.734 122.820 0.001 0.000 1.940 467 A HA -0.204 4.116 4.320 -0.000 0.000 0.221 467 A C 1.411 178.997 177.584 0.003 0.000 1.190 467 A CA 1.761 53.798 52.037 -0.000 0.000 0.647 467 A CB -0.452 18.547 19.000 -0.002 0.000 0.821 467 A HN 0.600 nan 8.150 nan 0.000 0.457 468 E N 0.597 120.801 120.200 0.006 0.000 2.354 468 E HA 0.284 4.634 4.350 -0.000 0.000 0.252 468 E C 0.925 177.531 176.600 0.011 0.000 1.330 468 E CA -0.024 56.380 56.400 0.007 0.000 1.658 468 E CB -0.593 29.111 29.700 0.007 0.000 1.460 468 E HN 0.319 nan 8.360 nan 0.000 0.435 469 V N 1.022 120.942 119.914 0.011 0.000 2.221 469 V HA -0.070 4.050 4.120 -0.000 0.000 0.240 469 V C 1.852 177.954 176.094 0.014 0.000 1.041 469 V CA 2.205 64.514 62.300 0.015 0.000 0.991 469 V CB -1.046 30.787 31.823 0.015 0.000 0.634 469 V HN 0.646 nan 8.190 nan 0.000 0.450 470 G N -1.567 107.240 108.800 0.013 0.000 2.175 470 G HA2 0.019 3.979 3.960 -0.000 0.000 0.244 470 G HA3 0.019 3.979 3.960 -0.000 0.000 0.244 470 G C 0.722 175.631 174.900 0.015 0.000 0.982 470 G CA 0.643 45.751 45.100 0.012 0.000 0.641 470 G HN 1.480 nan 8.290 nan 0.000 0.527 471 G N -0.341 108.470 108.800 0.018 0.000 3.815 471 G HA2 0.106 4.066 3.960 -0.000 0.000 0.112 471 G HA3 0.106 4.066 3.960 -0.000 0.000 0.112 471 G C 0.561 175.478 174.900 0.029 0.000 2.124 471 G CA 1.029 46.142 45.100 0.022 0.000 0.991 471 G HN 0.526 nan 8.290 nan 0.000 0.287 472 D N 1.711 122.130 120.400 0.032 0.000 2.137 472 D HA 0.126 4.766 4.640 -0.000 0.000 0.189 472 D C 1.906 178.235 176.300 0.048 0.000 0.998 472 D CA 2.072 56.096 54.000 0.041 0.000 0.839 472 D CB -0.417 40.407 40.800 0.040 0.000 0.962 472 D HN 0.713 nan 8.370 nan 0.000 0.446 473 A N -0.799 122.044 122.820 0.039 0.000 2.325 473 A HA 0.345 4.665 4.320 -0.000 0.000 0.260 473 A C 0.071 177.675 177.584 0.033 0.000 1.133 473 A CA 0.121 52.179 52.037 0.035 0.000 0.801 473 A CB 0.325 19.339 19.000 0.024 0.000 1.092 473 A HN 0.372 nan 8.150 nan 0.000 0.504 474 Q N -0.756 119.054 119.800 0.017 0.000 2.487 474 Q HA 0.471 4.811 4.340 -0.000 0.000 0.234 474 Q C -1.622 174.361 176.000 -0.030 0.000 0.828 474 Q CA -0.457 55.355 55.803 0.015 0.000 0.907 474 Q CB 1.486 30.259 28.738 0.059 0.000 1.462 474 Q HN 1.298 nan 8.270 nan 0.000 0.442 475 V N 1.747 121.639 119.914 -0.036 0.000 2.715 475 V HA 0.993 5.113 4.120 -0.000 0.000 0.310 475 V C -1.489 174.553 176.094 -0.086 0.000 1.054 475 V CA -0.329 61.931 62.300 -0.067 0.000 0.928 475 V CB 1.830 33.621 31.823 -0.053 0.000 1.007 475 V HN 0.555 nan 8.190 nan 0.000 0.437 476 V N 3.543 123.380 119.914 -0.127 0.000 3.120 476 V HA 0.596 4.716 4.120 -0.000 0.000 0.303 476 V C -1.012 174.977 176.094 -0.176 0.000 1.238 476 V CA -0.356 61.853 62.300 -0.151 0.000 1.008 476 V CB 2.152 33.855 31.823 -0.199 0.000 1.064 476 V HN 1.223 nan 8.190 nan 0.000 0.434 477 E N 5.048 125.153 120.200 -0.158 0.000 2.113 477 E HA 0.571 4.921 4.350 -0.000 0.000 0.273 477 E C -1.380 175.129 176.600 -0.152 0.000 0.924 477 E CA -0.537 55.771 56.400 -0.154 0.000 0.764 477 E CB 1.217 30.844 29.700 -0.122 0.000 1.104 477 E HN 0.653 nan 8.360 nan 0.000 0.406 478 I N 4.706 125.183 120.570 -0.156 0.000 2.448 478 I HA 0.246 4.416 4.170 -0.000 0.000 0.281 478 I C 0.861 176.913 176.117 -0.109 0.000 1.027 478 I CA -0.394 60.830 61.300 -0.126 0.000 1.111 478 I CB 1.692 39.616 38.000 -0.127 0.000 1.236 478 I HN 0.670 nan 8.210 nan 0.000 0.452 479 A N 4.050 126.815 122.820 -0.091 0.000 1.877 479 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 479 A C 1.123 178.657 177.584 -0.082 0.000 1.186 479 A CA 1.218 53.202 52.037 -0.088 0.000 0.620 479 A CB -0.193 18.765 19.000 -0.070 0.000 0.822 479 A HN 0.711 nan 8.150 nan 0.000 0.443 480 D N -0.796 119.571 120.400 -0.055 0.000 2.371 480 D HA 0.108 4.748 4.640 -0.000 0.000 0.256 480 D C 1.139 177.422 176.300 -0.029 0.000 1.193 480 D CA -0.096 53.884 54.000 -0.033 0.000 0.881 480 D CB 0.613 41.415 40.800 0.003 0.000 1.143 480 D HN 0.267 nan 8.370 nan 0.000 0.473 481 R N 3.189 123.644 120.500 -0.074 0.000 2.081 481 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 481 R C 2.202 178.604 176.300 0.170 0.000 1.131 481 R CA 1.605 57.657 56.100 -0.081 0.000 0.960 481 R CB 0.085 30.100 30.300 -0.474 0.000 0.856 481 R HN 0.513 nan 8.270 nan 0.000 0.436 482 R N 0.155 120.835 120.500 0.301 0.000 2.075 482 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 482 R C 1.273 177.665 176.300 0.153 0.000 1.126 482 R CA 2.064 58.331 56.100 0.278 0.000 0.963 482 R CB -0.359 30.077 30.300 0.227 0.000 0.858 482 R HN 0.106 nan 8.270 nan 0.000 0.435 483 D N 1.031 121.496 120.400 0.108 0.000 2.117 483 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 483 D C 1.974 178.325 176.300 0.085 0.000 0.987 483 D CA 1.770 55.818 54.000 0.080 0.000 0.829 483 D CB -0.386 40.441 40.800 0.045 0.000 0.961 483 D HN 0.443 nan 8.370 nan 0.000 0.460 484 A N 0.813 123.668 122.820 0.058 0.000 1.883 484 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 484 A C 2.369 180.011 177.584 0.097 0.000 1.186 484 A CA 1.130 53.194 52.037 0.044 0.000 0.624 484 A CB -0.793 18.204 19.000 -0.005 0.000 0.822 484 A HN 0.223 nan 8.150 nan 0.000 0.444 485 I N -1.116 119.525 120.570 0.120 0.000 2.226 485 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 485 I C 2.815 179.006 176.117 0.123 0.000 1.100 485 I CA 1.466 62.844 61.300 0.129 0.000 1.374 485 I CB -0.375 37.721 38.000 0.159 0.000 1.057 485 I HN 0.319 nan 8.210 nan 0.000 0.413 486 R N -0.440 120.135 120.500 0.124 0.000 2.075 486 R HA -0.202 4.138 4.340 -0.000 0.000 0.232 486 R C 2.370 178.742 176.300 0.119 0.000 1.126 486 R CA 1.514 57.682 56.100 0.114 0.000 0.963 486 R CB -0.646 29.715 30.300 0.102 0.000 0.858 486 R HN 0.397 nan 8.270 nan 0.000 0.435 487 H N 0.997 120.096 119.070 0.049 0.000 2.289 487 H HA -0.103 4.453 4.556 -0.000 0.000 0.296 487 H C 1.894 177.260 175.328 0.063 0.000 1.091 487 H CA 2.136 58.210 56.048 0.044 0.000 1.274 487 H CB -0.173 29.591 29.762 0.002 0.000 1.364 487 H HN 0.241 nan 8.280 nan 0.000 0.490 488 A N -0.107 122.726 122.820 0.021 0.000 1.933 488 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 488 A C 2.705 180.302 177.584 0.021 0.000 1.175 488 A CA 1.634 53.639 52.037 -0.054 0.000 0.628 488 A CB -0.838 18.146 19.000 -0.025 0.000 0.814 488 A HN 0.363 nan 8.150 nan 0.000 0.444 489 V N -0.474 119.469 119.914 0.048 0.000 2.453 489 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 489 V C 2.875 178.985 176.094 0.027 0.000 1.048 489 V CA 1.721 64.072 62.300 0.084 0.000 1.049 489 V CB -0.853 31.087 31.823 0.195 0.000 0.672 489 V HN 0.585 nan 8.190 nan 0.000 0.457 490 A N -1.601 121.228 122.820 0.015 0.000 2.206 490 A HA -0.177 4.143 4.320 -0.000 0.000 0.211 490 A C 1.863 179.417 177.584 -0.051 0.000 1.158 490 A CA 0.994 53.027 52.037 -0.007 0.000 0.761 490 A CB -0.686 18.316 19.000 0.002 0.000 0.801 490 A HN 0.825 nan 8.150 nan 0.000 0.473 491 W N 0.284 121.384 121.300 -0.334 0.000 2.704 491 W HA 0.497 5.157 4.660 -0.000 0.000 0.266 491 W C 0.894 177.232 176.519 -0.301 0.000 1.266 491 W CA 0.374 57.523 57.345 -0.326 0.000 1.377 491 W CB -0.004 29.214 29.460 -0.404 0.000 1.082 491 W HN 0.269 nan 8.180 nan 0.000 0.608 492 A N 2.032 124.672 122.820 -0.301 0.000 2.445 492 A HA 0.571 4.891 4.320 -0.000 0.000 0.242 492 A C 0.307 177.504 177.584 -0.644 0.000 1.075 492 A CA 0.359 51.931 52.037 -0.774 0.000 0.777 492 A CB -0.076 18.138 19.000 -1.311 0.000 1.013 492 A HN 0.441 nan 8.150 nan 0.000 0.493 493 R N 2.687 122.857 120.500 -0.550 0.000 2.787 493 R HA 0.747 5.087 4.340 -0.000 0.000 0.271 493 R C -2.965 173.301 176.300 -0.056 0.000 0.993 493 R CA -2.090 53.856 56.100 -0.256 0.000 0.993 493 R CB -0.654 29.477 30.300 -0.282 0.000 1.155 493 R HN 0.710 nan 8.270 nan 0.000 0.486 494 P HA -0.056 nan 4.420 nan 0.000 0.259 494 P C 0.866 178.203 177.300 0.061 0.000 1.155 494 P CA 2.180 65.348 63.100 0.112 0.000 0.759 494 P CB 0.390 32.116 31.700 0.042 0.000 0.753 495 G N 2.160 111.026 108.800 0.111 0.000 2.199 495 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.254 495 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.254 495 G C 0.067 175.000 174.900 0.055 0.000 0.982 495 G CA -0.044 45.091 45.100 0.058 0.000 0.632 495 G HN 0.498 nan 8.290 nan 0.000 0.529 496 D N -0.453 119.981 120.400 0.056 0.000 2.384 496 D HA 0.510 5.150 4.640 -0.000 0.000 0.244 496 D C 0.595 176.986 176.300 0.153 0.000 1.251 496 D CA 0.513 54.537 54.000 0.041 0.000 0.961 496 D CB 1.807 42.534 40.800 -0.121 0.000 1.116 496 D HN 0.796 nan 8.370 nan 0.000 0.484 497 V N -0.428 119.590 119.914 0.174 0.000 2.656 497 V HA 0.570 4.690 4.120 -0.000 0.000 0.307 497 V C -0.874 175.343 176.094 0.206 0.000 1.051 497 V CA -0.768 61.653 62.300 0.202 0.000 0.893 497 V CB 1.758 33.673 31.823 0.154 0.000 0.999 497 V HN 0.357 nan 8.190 nan 0.000 0.426 498 V N 5.720 125.763 119.914 0.215 0.000 2.384 498 V HA 0.788 4.908 4.120 -0.000 0.000 0.287 498 V C -0.923 175.256 176.094 0.142 0.000 1.020 498 V CA -0.598 61.797 62.300 0.157 0.000 0.850 498 V CB 1.287 33.196 31.823 0.142 0.000 0.987 498 V HN 1.024 nan 8.190 nan 0.000 0.436 499 L N 6.959 128.244 121.223 0.103 0.000 2.325 499 L HA 0.636 4.976 4.340 -0.000 0.000 0.281 499 L C -0.528 176.404 176.870 0.104 0.000 1.004 499 L CA -0.398 54.501 54.840 0.100 0.000 0.823 499 L CB 1.459 43.568 42.059 0.083 0.000 1.236 499 L HN 0.662 nan 8.230 nan 0.000 0.415 500 I N 5.514 126.153 120.570 0.114 0.000 2.287 500 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 500 I C 0.560 176.757 176.117 0.132 0.000 1.069 500 I CA -0.239 61.139 61.300 0.129 0.000 1.237 500 I CB 0.300 38.384 38.000 0.139 0.000 1.418 500 I HN 0.668 nan 8.210 nan 0.000 0.481 501 A N 3.883 126.792 122.820 0.150 0.000 2.269 501 A HA 0.772 5.092 4.320 -0.000 0.000 0.319 501 A C 1.099 178.764 177.584 0.135 0.000 1.110 501 A CA 0.208 52.314 52.037 0.114 0.000 0.847 501 A CB 0.938 19.959 19.000 0.036 0.000 1.161 501 A HN 1.142 nan 8.150 nan 0.000 0.497 502 G N -0.392 108.448 108.800 0.068 0.000 2.176 502 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.253 502 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.253 502 G C 0.800 175.756 174.900 0.093 0.000 0.979 502 G CA 0.956 46.093 45.100 0.062 0.000 0.641 502 G HN 0.739 nan 8.290 nan 0.000 0.530 503 K N -0.681 119.811 120.400 0.154 0.000 2.362 503 K HA 0.414 4.734 4.320 -0.000 0.000 0.203 503 K C 2.092 178.889 176.600 0.328 0.000 1.198 503 K CA 0.879 57.287 56.287 0.201 0.000 0.908 503 K CB 0.382 32.969 32.500 0.146 0.000 1.236 503 K HN 1.126 nan 8.250 nan 0.000 0.487 504 G N 2.505 111.470 108.800 0.275 0.000 2.602 504 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.310 504 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.310 504 G C 0.679 175.655 174.900 0.127 0.000 1.183 504 G CA 0.940 46.174 45.100 0.224 0.000 0.979 504 G HN 0.580 nan 8.290 nan 0.000 0.545 505 H N 2.078 121.063 119.070 -0.143 0.000 2.535 505 H HA 0.315 4.871 4.556 -0.000 0.000 0.273 505 H C 1.187 176.482 175.328 -0.056 0.000 0.983 505 H CA 1.342 57.317 56.048 -0.121 0.000 1.238 505 H CB -0.289 29.347 29.762 -0.211 0.000 1.412 505 H HN 0.576 nan 8.280 nan 0.000 0.562 506 E N 2.375 122.196 120.200 -0.632 0.000 2.418 506 E HA 0.162 4.512 4.350 -0.000 0.000 0.261 506 E C 0.002 176.530 176.600 -0.121 0.000 1.070 506 E CA 0.422 56.551 56.400 -0.451 0.000 0.931 506 E CB 0.732 30.295 29.700 -0.229 0.000 0.954 506 E HN 0.572 nan 8.360 nan 0.000 0.439 507 T N -0.047 114.471 114.554 -0.061 0.000 2.864 507 T HA 0.787 5.137 4.350 -0.000 0.000 0.289 507 T C 0.278 175.017 174.700 0.065 0.000 1.082 507 T CA -0.491 61.631 62.100 0.038 0.000 1.009 507 T CB 1.146 70.027 68.868 0.022 0.000 1.234 507 T HN 0.998 nan 8.240 nan 0.000 0.526 508 G N 0.498 109.376 108.800 0.129 0.000 2.785 508 G HA2 0.055 4.015 3.960 -0.000 0.000 0.685 508 G HA3 0.055 4.015 3.960 -0.000 0.000 0.685 508 G C -1.057 173.894 174.900 0.085 0.000 1.480 508 G CA -0.815 44.355 45.100 0.117 0.000 0.915 508 G HN 0.816 nan 8.290 nan 0.000 0.576 509 Q N 0.253 120.083 119.800 0.050 0.000 2.341 509 Q HA 0.669 5.009 4.340 -0.000 0.000 0.268 509 Q C 0.705 176.695 176.000 -0.015 0.000 1.013 509 Q CA 0.009 55.787 55.803 -0.042 0.000 0.798 509 Q CB 1.551 30.226 28.738 -0.105 0.000 1.253 509 Q HN 1.196 nan 8.270 nan 0.000 0.457 510 R N 0.416 120.904 120.500 -0.020 0.000 2.297 510 R HA 0.705 5.045 4.340 -0.000 0.000 0.308 510 R C 0.469 176.757 176.300 -0.020 0.000 1.029 510 R CA -0.027 56.067 56.100 -0.011 0.000 0.929 510 R CB 0.771 31.068 30.300 -0.005 0.000 1.046 510 R HN 0.718 nan 8.270 nan 0.000 0.461 511 G N 1.384 110.176 108.800 -0.014 0.000 3.829 511 G HA2 0.475 4.435 3.960 -0.000 0.000 0.289 511 G HA3 0.475 4.435 3.960 -0.000 0.000 0.289 511 G C 0.275 175.169 174.900 -0.010 0.000 1.274 511 G CA 0.291 45.382 45.100 -0.017 0.000 0.698 511 G HN 1.045 nan 8.290 nan 0.000 0.488 517 P HA 0.163 nan 4.420 nan 0.000 0.271 517 P C -1.075 176.334 177.300 0.182 0.000 1.220 517 P CA 0.232 63.392 63.100 0.100 0.000 0.768 517 P CB 0.492 32.221 31.700 0.048 0.000 0.848 518 F N 2.041 121.990 119.950 -0.001 0.000 2.622 518 F HA 0.312 4.839 4.527 -0.000 0.000 0.318 518 F C -1.448 174.353 175.800 0.001 0.000 1.135 518 F CA -0.544 57.457 58.000 0.003 0.000 1.015 518 F CB 2.062 41.065 39.000 0.005 0.000 1.275 518 F HN 0.153 nan 8.300 nan 0.000 0.457 519 D N 4.555 124.766 120.400 -0.315 0.000 2.686 519 D HA 0.215 4.854 4.640 -0.000 0.000 0.249 519 D C 0.161 176.354 176.300 -0.179 0.000 1.260 519 D CA -0.245 53.688 54.000 -0.111 0.000 0.910 519 D CB 1.652 42.400 40.800 -0.087 0.000 1.323 519 D HN 0.521 nan 8.370 nan 0.000 0.561 520 D N 2.451 122.899 120.400 0.080 0.000 2.123 520 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 520 D C 1.704 178.026 176.300 0.035 0.000 0.992 520 D CA 1.053 55.130 54.000 0.128 0.000 0.833 520 D CB 0.411 41.341 40.800 0.217 0.000 0.954 520 D HN 0.330 nan 8.370 nan 0.000 0.455 521 R N 0.164 120.676 120.500 0.019 0.000 2.083 521 R HA -0.080 4.260 4.340 -0.000 0.000 0.237 521 R C 2.432 178.718 176.300 -0.023 0.000 1.137 521 R CA 0.554 56.659 56.100 0.008 0.000 0.951 521 R CB -0.881 29.423 30.300 0.006 0.000 0.851 521 R HN 0.113 nan 8.270 nan 0.000 0.434 522 V N 0.869 120.743 119.914 -0.067 0.000 2.307 522 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 522 V C 2.053 178.082 176.094 -0.110 0.000 1.045 522 V CA 1.652 63.897 62.300 -0.090 0.000 1.024 522 V CB -0.419 31.331 31.823 -0.122 0.000 0.651 522 V HN 0.227 nan 8.190 nan 0.000 0.449 523 E N 0.073 120.165 120.200 -0.181 0.000 2.051 523 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 523 E C 2.072 178.654 176.600 -0.029 0.000 0.991 523 E CA 1.071 57.375 56.400 -0.159 0.000 0.799 523 E CB -0.629 28.916 29.700 -0.260 0.000 0.748 523 E HN 0.427 nan 8.360 nan 0.000 0.449 524 L N 0.809 122.037 121.223 0.008 0.000 2.017 524 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 524 L C 2.146 179.041 176.870 0.042 0.000 1.073 524 L CA 2.147 57.020 54.840 0.056 0.000 0.745 524 L CB -0.877 41.227 42.059 0.076 0.000 0.894 524 L HN 0.076 nan 8.230 nan 0.000 0.432 525 A N -0.758 122.070 122.820 0.014 0.000 1.930 525 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 525 A C 2.440 180.026 177.584 0.004 0.000 1.175 525 A CA 1.646 53.686 52.037 0.005 0.000 0.627 525 A CB -1.096 17.899 19.000 -0.008 0.000 0.815 525 A HN 0.553 nan 8.150 nan 0.000 0.443 526 A N 0.006 122.823 122.820 -0.006 0.000 1.908 526 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 526 A C 2.502 180.096 177.584 0.018 0.000 1.181 526 A CA 2.149 54.184 52.037 -0.005 0.000 0.627 526 A CB -1.020 17.966 19.000 -0.024 0.000 0.818 526 A HN 1.063 nan 8.150 nan 0.000 0.445 527 A N -0.274 122.569 122.820 0.037 0.000 1.902 527 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 527 A C 2.140 179.772 177.584 0.079 0.000 1.181 527 A CA 1.545 53.622 52.037 0.067 0.000 0.623 527 A CB -0.607 18.448 19.000 0.093 0.000 0.818 527 A HN 0.486 nan 8.150 nan 0.000 0.443 528 L N -1.207 120.059 121.223 0.071 0.000 2.141 528 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 528 L C 2.499 179.383 176.870 0.022 0.000 1.094 528 L CA 1.475 56.347 54.840 0.054 0.000 0.763 528 L CB -0.457 41.607 42.059 0.008 0.000 0.908 528 L HN 0.347 nan 8.230 nan 0.000 0.437 529 E N 0.290 120.499 120.200 0.015 0.000 2.106 529 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 529 E C 2.295 178.905 176.600 0.017 0.000 0.984 529 E CA 1.127 57.531 56.400 0.007 0.000 0.806 529 E CB -0.160 29.541 29.700 0.001 0.000 0.750 529 E HN 0.422 nan 8.360 nan 0.000 0.458 530 A N 0.253 123.090 122.820 0.027 0.000 2.076 530 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 530 A C 0.974 178.582 177.584 0.040 0.000 1.160 530 A CA 0.499 52.555 52.037 0.032 0.000 0.653 530 A CB -0.282 18.741 19.000 0.038 0.000 0.801 530 A HN 0.173 nan 8.150 nan 0.000 0.455 531 L N 2.020 123.273 121.223 0.050 0.000 2.462 531 L HA 0.179 4.519 4.340 -0.000 0.000 0.283 531 L C -0.103 176.786 176.870 0.032 0.000 1.166 531 L CA 0.206 55.081 54.840 0.057 0.000 0.964 531 L CB -0.884 41.232 42.059 0.094 0.000 1.294 531 L HN 0.427 nan 8.230 nan 0.000 0.449 532 E N 0.000 120.215 120.200 0.025 0.000 2.725 532 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 532 E CA 0.000 56.408 56.400 0.014 0.000 0.976 532 E CB 0.000 29.705 29.700 0.009 0.000 0.812 532 E HN 0.000 nan 8.360 nan 0.000 0.440