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 1w5d_1_A DATA FIRST_RESID 5 DATA SEQUENCE DALSGQIDKI LADHPALEGA MAGITVRSAE TGAVLYEHSG DTRMRPASSL DATA SEQUENCE KLLTAAAALS VLGENYSFTT EVRTDGTLKG KKLNGNLYLK GKGDPTLLPS DATA SEQUENCE DFDKMAEILK HSGVKVIKGN LIGDDTWHDD MRLSPDMPWS DEYTYYGAPI DATA SEQUENCE SALTASPNED YDAGTVIVEV TPNQKEGEEP AVSVSPKTDY ITIKNDAKTT DATA SEQUENCE AAGSEKDLTI EREHGTNTIT IEGSVPVDAN KTKEWISVWE PAGYALDLFK DATA SEQUENCE QSLKKQGITV KGDIKTGEAP SSSDVLLSHR SMPLSKLFVP FMKLSNNGHA DATA SEQUENCE EVLVKEMGKV KKGEGSWEKG LEVLNSTLPE FGVDSKSLVL RDGSGISHID DATA SEQUENCE AVSSDQLSQL LYDIQDQSWF SAYLNSLPVA GNPDRMVGGT LRNRMKGTPA DATA SEQUENCE QGKVRAKTGS LSTVSSLSGY AETKSGKKLV FSILLNGLID EEDGKDIEDQ DATA SEQUENCE IAVILANQ 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.315 176.300 0.025 0.000 2.045 5 D CA 0.000 54.024 54.000 0.040 0.000 0.868 5 D CB 0.000 40.837 40.800 0.061 0.000 0.688 6 A N 0.032 122.858 122.820 0.010 0.000 1.975 6 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 6 A C 1.818 179.384 177.584 -0.029 0.000 1.170 6 A CA 0.960 52.993 52.037 -0.007 0.000 0.656 6 A CB -0.221 18.773 19.000 -0.009 0.000 0.821 6 A HN 0.380 nan 8.150 nan 0.000 0.449 7 L N -0.023 121.181 121.223 -0.032 0.000 2.044 7 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 7 L C 2.471 179.250 176.870 -0.152 0.000 1.075 7 L CA 2.512 57.296 54.840 -0.093 0.000 0.747 7 L CB -0.808 41.213 42.059 -0.064 0.000 0.903 7 L HN 0.275 nan 8.230 nan 0.000 0.435 8 S N -0.021 115.671 115.700 -0.013 0.000 2.359 8 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 8 S C 1.885 176.508 174.600 0.037 0.000 1.039 8 S CA 1.373 59.638 58.200 0.109 0.000 1.042 8 S CB -1.183 62.163 63.200 0.244 0.000 0.915 8 S HN 0.698 nan 8.310 nan 0.000 0.439 9 G N 0.264 109.077 108.800 0.022 0.000 2.422 9 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 9 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 9 G C 1.311 176.195 174.900 -0.027 0.000 1.140 9 G CA 0.751 45.859 45.100 0.013 0.000 0.775 9 G HN 0.486 nan 8.290 nan 0.000 0.545 10 Q N -0.378 119.382 119.800 -0.068 0.000 2.049 10 Q HA 0.059 4.399 4.340 -0.000 0.000 0.198 10 Q C 2.543 178.466 176.000 -0.128 0.000 0.971 10 Q CA 0.919 56.669 55.803 -0.088 0.000 0.833 10 Q CB -0.145 28.535 28.738 -0.098 0.000 0.896 10 Q HN 0.555 nan 8.270 nan 0.000 0.434 11 I N 0.775 121.207 120.570 -0.230 0.000 2.353 11 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 11 I C 1.457 177.491 176.117 -0.138 0.000 1.119 11 I CA 0.836 61.964 61.300 -0.287 0.000 1.417 11 I CB -0.240 37.353 38.000 -0.679 0.000 1.078 11 I HN 0.187 nan 8.210 nan 0.000 0.421 12 D N 1.555 121.926 120.400 -0.048 0.000 2.218 12 D HA -0.174 4.466 4.640 -0.000 0.000 0.204 12 D C 2.094 178.405 176.300 0.018 0.000 0.976 12 D CA 1.070 55.101 54.000 0.051 0.000 0.853 12 D CB -0.113 40.759 40.800 0.122 0.000 0.939 12 D HN 0.531 nan 8.370 nan 0.000 0.481 13 K N 1.167 121.564 120.400 -0.006 0.000 2.002 13 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 13 K C 2.249 178.851 176.600 0.003 0.000 1.048 13 K CA 1.056 57.342 56.287 -0.001 0.000 0.930 13 K CB -0.586 31.907 32.500 -0.012 0.000 0.714 13 K HN 0.122 nan 8.250 nan 0.000 0.438 14 I N 1.905 122.468 120.570 -0.012 0.000 2.163 14 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 14 I C 2.499 178.629 176.117 0.021 0.000 1.085 14 I CA 1.336 62.643 61.300 0.011 0.000 1.347 14 I CB -0.454 37.531 38.000 -0.025 0.000 1.044 14 I HN 0.135 nan 8.210 nan 0.000 0.408 15 L N 0.436 121.645 121.223 -0.022 0.000 2.353 15 L HA -0.174 4.166 4.340 -0.000 0.000 0.220 15 L C 2.549 179.426 176.870 0.011 0.000 1.133 15 L CA 1.035 55.852 54.840 -0.039 0.000 0.798 15 L CB -0.655 41.337 42.059 -0.111 0.000 0.922 15 L HN 0.296 nan 8.230 nan 0.000 0.445 16 A N -1.034 121.803 122.820 0.028 0.000 2.014 16 A HA -0.031 4.289 4.320 -0.000 0.000 0.210 16 A C 1.806 179.410 177.584 0.034 0.000 1.188 16 A CA 0.479 52.538 52.037 0.036 0.000 0.731 16 A CB 0.041 19.062 19.000 0.035 0.000 0.858 16 A HN 0.241 nan 8.150 nan 0.000 0.464 17 D N -0.856 119.564 120.400 0.033 0.000 2.216 17 D HA 0.029 4.669 4.640 -0.000 0.000 0.208 17 D C 0.223 176.533 176.300 0.017 0.000 0.960 17 D CA 0.439 54.449 54.000 0.016 0.000 0.861 17 D CB -0.462 40.337 40.800 -0.000 0.000 0.985 17 D HN 0.574 nan 8.370 nan 0.000 0.493 18 H N 1.719 120.778 119.070 -0.019 0.000 3.145 18 H HA 0.007 4.563 4.556 -0.000 0.000 0.288 18 H C -1.470 173.851 175.328 -0.013 0.000 0.969 18 H CA -0.934 55.102 56.048 -0.019 0.000 1.444 18 H CB 1.329 31.076 29.762 -0.026 0.000 1.500 18 H HN -0.118 nan 8.280 nan 0.000 0.552 19 P HA -0.177 nan 4.420 nan 0.000 0.218 19 P C 0.961 178.323 177.300 0.103 0.000 1.148 19 P CA 1.602 64.717 63.100 0.024 0.000 0.822 19 P CB 0.190 31.865 31.700 -0.041 0.000 0.784 20 A N -1.352 121.613 122.820 0.241 0.000 2.178 20 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 20 A C 1.806 179.449 177.584 0.099 0.000 1.157 20 A CA 1.122 53.267 52.037 0.180 0.000 0.689 20 A CB -1.242 17.892 19.000 0.224 0.000 0.787 20 A HN 0.116 nan 8.150 nan 0.000 0.465 21 L N -0.662 120.624 121.223 0.104 0.000 2.585 21 L HA 0.204 4.544 4.340 -0.000 0.000 0.226 21 L C 0.884 177.780 176.870 0.043 0.000 1.113 21 L CA 0.384 55.252 54.840 0.046 0.000 0.876 21 L CB -0.205 41.873 42.059 0.031 0.000 1.072 21 L HN 0.436 nan 8.230 nan 0.000 0.468 22 E N -0.439 119.790 120.200 0.048 0.000 2.265 22 E HA 0.339 4.689 4.350 -0.000 0.000 0.272 22 E C 1.068 177.687 176.600 0.031 0.000 1.067 22 E CA 0.678 57.099 56.400 0.036 0.000 0.900 22 E CB 0.030 29.749 29.700 0.031 0.000 1.017 22 E HN 0.361 nan 8.360 nan 0.000 0.431 23 G N 2.579 111.396 108.800 0.030 0.000 2.175 23 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 23 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 23 G C 0.234 175.150 174.900 0.026 0.000 0.982 23 G CA 0.071 45.186 45.100 0.026 0.000 0.641 23 G HN 0.799 nan 8.290 nan 0.000 0.527 24 A N -0.193 122.644 122.820 0.029 0.000 2.420 24 A HA 1.049 5.369 4.320 -0.000 0.000 0.291 24 A C 0.162 177.768 177.584 0.036 0.000 1.228 24 A CA 0.076 52.129 52.037 0.027 0.000 0.933 24 A CB 0.784 19.795 19.000 0.019 0.000 1.428 24 A HN 1.600 nan 8.150 nan 0.000 0.493 25 M N -1.728 117.893 119.600 0.035 0.000 2.433 25 M HA 0.781 5.261 4.480 -0.000 0.000 0.290 25 M C -0.905 175.425 176.300 0.050 0.000 1.173 25 M CA -0.639 54.694 55.300 0.056 0.000 0.905 25 M CB 2.205 34.839 32.600 0.057 0.000 1.692 25 M HN 1.021 nan 8.290 nan 0.000 0.462 26 A N 1.376 124.245 122.820 0.081 0.000 2.414 26 A HA 0.954 5.274 4.320 -0.000 0.000 0.306 26 A C -0.438 177.244 177.584 0.163 0.000 1.054 26 A CA -0.514 51.556 52.037 0.055 0.000 0.724 26 A CB 1.792 20.748 19.000 -0.074 0.000 1.267 26 A HN 1.156 nan 8.150 nan 0.000 0.418 27 G N 1.231 110.102 108.800 0.118 0.000 2.675 27 G HA2 0.588 4.548 3.960 -0.000 0.000 0.297 27 G HA3 0.588 4.548 3.960 -0.000 0.000 0.297 27 G C -0.972 174.001 174.900 0.123 0.000 1.399 27 G CA -0.240 44.941 45.100 0.136 0.000 0.981 27 G HN 0.624 nan 8.290 nan 0.000 0.519 28 I N 1.384 122.052 120.570 0.163 0.000 2.545 28 I HA 0.552 4.722 4.170 -0.000 0.000 0.292 28 I C -0.433 175.784 176.117 0.167 0.000 1.040 28 I CA -0.656 60.752 61.300 0.180 0.000 1.068 28 I CB 2.998 41.148 38.000 0.250 0.000 1.251 28 I HN 0.272 nan 8.210 nan 0.000 0.424 29 T N 4.536 119.196 114.554 0.175 0.000 2.971 29 T HA 0.499 4.849 4.350 -0.000 0.000 0.304 29 T C -0.851 173.969 174.700 0.200 0.000 1.038 29 T CA -0.475 61.710 62.100 0.142 0.000 1.007 29 T CB 2.130 71.041 68.868 0.072 0.000 1.055 29 T HN 0.168 nan 8.240 nan 0.000 0.451 30 V N 4.068 124.112 119.914 0.216 0.000 2.487 30 V HA 0.621 4.741 4.120 -0.000 0.000 0.298 30 V C -0.064 176.110 176.094 0.134 0.000 1.028 30 V CA -0.805 61.621 62.300 0.210 0.000 0.860 30 V CB 1.839 33.793 31.823 0.219 0.000 0.991 30 V HN 0.704 nan 8.190 nan 0.000 0.427 31 R N 1.840 122.407 120.500 0.113 0.000 2.854 31 R HA 0.579 4.919 4.340 -0.000 0.000 0.271 31 R C -0.421 175.918 176.300 0.065 0.000 0.994 31 R CA -0.635 55.493 56.100 0.047 0.000 0.945 31 R CB 2.136 32.432 30.300 -0.008 0.000 1.194 31 R HN 0.684 nan 8.270 nan 0.000 0.476 32 S N 0.778 116.486 115.700 0.013 0.000 2.505 32 S HA 0.169 4.639 4.470 -0.000 0.000 0.276 32 S C 1.077 175.738 174.600 0.103 0.000 1.274 32 S CA -0.163 58.065 58.200 0.048 0.000 1.053 32 S CB 1.188 64.395 63.200 0.011 0.000 0.919 32 S HN 0.712 nan 8.310 nan 0.000 0.490 33 A N 4.514 127.446 122.820 0.187 0.000 2.121 33 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 33 A C 1.864 179.624 177.584 0.294 0.000 1.154 33 A CA 1.116 53.329 52.037 0.293 0.000 0.679 33 A CB -0.348 18.797 19.000 0.242 0.000 0.795 33 A HN 0.941 nan 8.150 nan 0.000 0.458 34 E N -0.835 119.479 120.200 0.191 0.000 2.086 34 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 34 E C 2.030 178.755 176.600 0.209 0.000 0.975 34 E CA 1.552 58.046 56.400 0.158 0.000 0.813 34 E CB -0.091 29.659 29.700 0.084 0.000 0.768 34 E HN 0.779 nan 8.360 nan 0.000 0.457 35 T N -3.965 110.654 114.554 0.109 0.000 2.978 35 T HA 0.316 4.666 4.350 -0.000 0.000 0.248 35 T C 1.594 176.071 174.700 -0.372 0.000 1.018 35 T CA 0.447 62.548 62.100 0.003 0.000 1.026 35 T CB 0.966 69.815 68.868 -0.032 0.000 1.032 35 T HN 0.276 nan 8.240 nan 0.000 0.485 36 G N 1.698 110.107 108.800 -0.652 0.000 2.175 36 G HA2 0.004 3.964 3.960 -0.000 0.000 0.244 36 G HA3 0.004 3.964 3.960 -0.000 0.000 0.244 36 G C 0.308 174.914 174.900 -0.491 0.000 0.982 36 G CA -0.064 44.303 45.100 -1.222 0.000 0.641 36 G HN 1.171 nan 8.290 nan 0.000 0.527 37 A N 0.158 122.818 122.820 -0.266 0.000 2.425 37 A HA 0.656 4.976 4.320 -0.000 0.000 0.249 37 A C 1.038 178.569 177.584 -0.088 0.000 1.084 37 A CA 0.410 52.364 52.037 -0.138 0.000 0.781 37 A CB 0.556 19.508 19.000 -0.079 0.000 1.019 37 A HN 1.876 nan 8.150 nan 0.000 0.490 38 V N 1.998 121.878 119.914 -0.058 0.000 2.508 38 V HA 0.320 4.440 4.120 -0.000 0.000 0.281 38 V C 0.654 176.756 176.094 0.014 0.000 1.041 38 V CA 0.008 62.297 62.300 -0.018 0.000 1.016 38 V CB 0.177 31.984 31.823 -0.026 0.000 0.984 38 V HN 0.759 nan 8.190 nan 0.000 0.478 39 L N 3.985 125.244 121.223 0.059 0.000 2.554 39 L HA 0.466 4.806 4.340 -0.000 0.000 0.225 39 L C 0.181 177.160 176.870 0.183 0.000 1.104 39 L CA 0.349 55.244 54.840 0.092 0.000 0.866 39 L CB 0.018 42.131 42.059 0.090 0.000 1.047 39 L HN 0.847 nan 8.230 nan 0.000 0.468 40 Y N 0.826 121.136 120.300 0.018 0.000 2.598 40 Y HA 0.372 4.922 4.550 -0.000 0.000 0.333 40 Y C -1.765 174.159 175.900 0.039 0.000 1.196 40 Y CA -1.475 56.641 58.100 0.027 0.000 1.145 40 Y CB 1.075 39.551 38.460 0.027 0.000 1.349 40 Y HN 0.157 nan 8.280 nan 0.000 0.469 41 E N 3.721 123.413 120.200 -0.848 0.000 2.378 41 E HA 0.356 4.706 4.350 -0.000 0.000 0.283 41 E C -2.365 173.882 176.600 -0.588 0.000 0.979 41 E CA -0.830 55.267 56.400 -0.505 0.000 0.795 41 E CB 1.699 31.275 29.700 -0.206 0.000 1.221 41 E HN 0.635 nan 8.360 nan 0.000 0.428 42 H N 2.433 121.295 119.070 -0.346 0.000 3.078 42 H HA 0.330 4.886 4.556 -0.000 0.000 0.319 42 H C -0.853 174.431 175.328 -0.074 0.000 0.995 42 H CA -0.052 55.884 56.048 -0.186 0.000 1.417 42 H CB 0.887 30.625 29.762 -0.040 0.000 1.598 42 H HN 0.698 nan 8.280 nan 0.000 0.515 43 S N 2.564 118.120 115.700 -0.239 0.000 3.641 43 S HA -0.202 4.268 4.470 -0.000 0.000 0.346 43 S C 1.629 176.217 174.600 -0.019 0.000 1.074 43 S CA 0.796 58.930 58.200 -0.111 0.000 1.026 43 S CB -1.323 61.860 63.200 -0.028 0.000 0.908 43 S HN 0.934 nan 8.310 nan 0.000 0.479 44 G N 1.852 110.629 108.800 -0.039 0.000 2.498 44 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 44 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 44 G C 0.963 175.860 174.900 -0.006 0.000 1.119 44 G CA 1.047 46.141 45.100 -0.010 0.000 0.766 44 G HN 0.846 nan 8.290 nan 0.000 0.552 45 D N -0.601 119.789 120.400 -0.018 0.000 2.363 45 D HA 0.033 4.673 4.640 -0.000 0.000 0.214 45 D C 0.680 176.979 176.300 -0.002 0.000 1.093 45 D CA -0.106 53.888 54.000 -0.009 0.000 0.837 45 D CB -0.277 40.513 40.800 -0.018 0.000 0.948 45 D HN 0.042 nan 8.370 nan 0.000 0.507 46 T N 0.530 115.085 114.554 0.001 0.000 2.817 46 T HA 0.292 4.642 4.350 -0.000 0.000 0.293 46 T C 0.126 174.836 174.700 0.018 0.000 0.964 46 T CA -0.635 61.469 62.100 0.008 0.000 1.085 46 T CB 0.782 69.655 68.868 0.009 0.000 0.921 46 T HN -0.025 nan 8.240 nan 0.000 0.502 47 R N 4.346 124.856 120.500 0.017 0.000 2.537 47 R HA 0.489 4.829 4.340 -0.000 0.000 0.280 47 R C 0.017 176.332 176.300 0.024 0.000 1.058 47 R CA 0.184 56.296 56.100 0.021 0.000 1.057 47 R CB 0.508 30.820 30.300 0.020 0.000 0.973 47 R HN 0.604 nan 8.270 nan 0.000 0.438 48 M N 1.076 120.690 119.600 0.024 0.000 2.664 48 M HA 0.387 4.867 4.480 -0.000 0.000 0.279 48 M C -0.501 175.809 176.300 0.018 0.000 1.275 48 M CA -0.976 54.339 55.300 0.026 0.000 0.829 48 M CB 2.507 35.124 32.600 0.030 0.000 1.727 48 M HN 0.327 nan 8.290 nan 0.000 0.459 49 R N 2.030 122.541 120.500 0.017 0.000 2.296 49 R HA 0.199 4.539 4.340 -0.000 0.000 0.323 49 R C -1.756 174.531 176.300 -0.023 0.000 1.067 49 R CA -1.146 54.950 56.100 -0.007 0.000 0.946 49 R CB 0.420 30.722 30.300 0.004 0.000 0.991 49 R HN 0.315 nan 8.270 nan 0.000 0.448 50 P HA 0.037 nan 4.420 nan 0.000 0.252 50 P C 0.147 177.413 177.300 -0.057 0.000 1.218 50 P CA 0.675 63.755 63.100 -0.033 0.000 0.807 50 P CB 0.490 32.179 31.700 -0.019 0.000 1.072 51 A N 0.841 123.608 122.820 -0.089 0.000 5.813 51 A HA -0.257 4.063 4.320 -0.000 0.000 0.291 51 A C 1.708 179.244 177.584 -0.081 0.000 1.970 51 A CA 1.513 53.483 52.037 -0.113 0.000 0.717 51 A CB -2.422 16.512 19.000 -0.110 0.000 1.222 51 A HN 0.179 nan 8.150 nan 0.000 0.377 52 S N -0.139 115.511 115.700 -0.084 0.000 2.584 52 S HA 0.017 4.487 4.470 -0.000 0.000 0.240 52 S C 1.808 176.359 174.600 -0.081 0.000 0.975 52 S CA 1.249 59.403 58.200 -0.076 0.000 0.949 52 S CB -0.411 62.734 63.200 -0.091 0.000 0.761 52 S HN 0.790 nan 8.310 nan 0.000 0.536 53 S N 1.333 116.991 115.700 -0.070 0.000 2.474 53 S HA 0.026 4.496 4.470 -0.000 0.000 0.235 53 S C 1.601 176.172 174.600 -0.049 0.000 0.997 53 S CA 0.325 58.483 58.200 -0.070 0.000 0.949 53 S CB -0.220 62.947 63.200 -0.056 0.000 0.766 53 S HN 0.434 nan 8.310 nan 0.000 0.517 54 L N 1.810 123.015 121.223 -0.031 0.000 2.201 54 L HA 0.004 4.344 4.340 -0.000 0.000 0.212 54 L C 1.859 178.737 176.870 0.014 0.000 1.105 54 L CA 1.605 56.446 54.840 0.002 0.000 0.775 54 L CB -0.312 41.753 42.059 0.011 0.000 0.913 54 L HN 0.101 nan 8.230 nan 0.000 0.440 55 K N -1.041 119.346 120.400 -0.022 0.000 2.211 55 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 55 K C 1.864 178.426 176.600 -0.063 0.000 1.047 55 K CA 0.924 57.191 56.287 -0.034 0.000 0.935 55 K CB -0.227 32.164 32.500 -0.181 0.000 0.728 55 K HN 0.201 nan 8.250 nan 0.000 0.452 56 L N 0.921 122.112 121.223 -0.052 0.000 2.079 56 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 56 L C 2.002 178.962 176.870 0.151 0.000 1.081 56 L CA 1.570 56.437 54.840 0.045 0.000 0.752 56 L CB -0.644 41.448 42.059 0.055 0.000 0.896 56 L HN 0.184 nan 8.230 nan 0.000 0.433 57 L N -1.753 119.531 121.223 0.101 0.000 2.027 57 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 57 L C 2.358 179.320 176.870 0.153 0.000 1.074 57 L CA 1.481 56.397 54.840 0.126 0.000 0.745 57 L CB -0.951 41.177 42.059 0.114 0.000 0.898 57 L HN 0.226 nan 8.230 nan 0.000 0.433 58 T N 0.089 114.726 114.554 0.138 0.000 2.708 58 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 58 T C 2.019 176.826 174.700 0.178 0.000 1.037 58 T CA 1.362 63.553 62.100 0.152 0.000 1.146 58 T CB -0.269 68.696 68.868 0.162 0.000 0.865 58 T HN 0.434 nan 8.240 nan 0.000 0.435 59 A N 1.538 124.465 122.820 0.178 0.000 1.883 59 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 59 A C 2.655 180.451 177.584 0.353 0.000 1.186 59 A CA 2.011 54.187 52.037 0.231 0.000 0.624 59 A CB -1.187 17.797 19.000 -0.027 0.000 0.822 59 A HN 0.519 nan 8.150 nan 0.000 0.444 60 A N -0.253 122.744 122.820 0.295 0.000 1.877 60 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 60 A C 2.532 180.122 177.584 0.010 0.000 1.186 60 A CA 2.188 54.193 52.037 -0.054 0.000 0.620 60 A CB -1.085 17.719 19.000 -0.328 0.000 0.822 60 A HN 1.104 nan 8.150 nan 0.000 0.443 61 A N -0.178 122.775 122.820 0.221 0.000 1.902 61 A HA 0.161 4.481 4.320 -0.000 0.000 0.217 61 A C 2.503 180.139 177.584 0.088 0.000 1.181 61 A CA 2.115 54.309 52.037 0.263 0.000 0.623 61 A CB -1.012 18.120 19.000 0.220 0.000 0.818 61 A HN 1.045 nan 8.150 nan 0.000 0.443 62 A N -0.164 122.699 122.820 0.071 0.000 1.877 62 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 62 A C 2.170 179.682 177.584 -0.121 0.000 1.186 62 A CA 1.557 53.611 52.037 0.028 0.000 0.620 62 A CB -0.663 18.458 19.000 0.202 0.000 0.822 62 A HN 0.471 nan 8.150 nan 0.000 0.443 63 L N -0.662 120.393 121.223 -0.280 0.000 2.083 63 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 63 L C 2.924 179.435 176.870 -0.599 0.000 1.083 63 L CA 1.437 55.869 54.840 -0.679 0.000 0.752 63 L CB -0.388 40.847 42.059 -1.374 0.000 0.899 63 L HN 0.524 nan 8.230 nan 0.000 0.433 64 S N -0.528 114.963 115.700 -0.349 0.000 2.355 64 S HA -0.126 4.344 4.470 -0.000 0.000 0.222 64 S C 1.887 176.511 174.600 0.040 0.000 1.031 64 S CA 1.329 59.591 58.200 0.103 0.000 0.993 64 S CB -0.027 63.386 63.200 0.355 0.000 0.859 64 S HN 0.177 nan 8.310 nan 0.000 0.453 65 V N 1.275 121.171 119.914 -0.031 0.000 2.346 65 V HA 0.025 4.145 4.120 -0.000 0.000 0.244 65 V C 2.277 178.292 176.094 -0.131 0.000 1.037 65 V CA 1.123 63.386 62.300 -0.062 0.000 1.029 65 V CB -0.431 31.349 31.823 -0.073 0.000 0.663 65 V HN 0.359 nan 8.190 nan 0.000 0.454 66 L N -0.329 120.759 121.223 -0.225 0.000 2.202 66 L HA 0.470 4.810 4.340 -0.000 0.000 0.205 66 L C 1.097 177.869 176.870 -0.164 0.000 1.083 66 L CA 1.526 56.135 54.840 -0.385 0.000 0.790 66 L CB -1.039 40.599 42.059 -0.703 0.000 0.942 66 L HN 0.522 nan 8.230 nan 0.000 0.452 67 G N -0.112 108.605 108.800 -0.138 0.000 2.697 67 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.686 67 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.686 67 G C 0.594 175.438 174.900 -0.093 0.000 1.179 67 G CA 0.011 45.080 45.100 -0.052 0.000 0.765 67 G HN 0.387 nan 8.290 nan 0.000 0.649 68 E N -0.023 120.129 120.200 -0.079 0.000 2.338 68 E HA -0.097 4.253 4.350 -0.000 0.000 0.197 68 E C 1.343 177.892 176.600 -0.084 0.000 1.007 68 E CA 1.292 57.613 56.400 -0.131 0.000 0.849 68 E CB -0.087 29.597 29.700 -0.026 0.000 0.774 68 E HN 0.582 nan 8.360 nan 0.000 0.506 69 N N -0.448 118.235 118.700 -0.028 0.000 2.270 69 N HA 0.023 4.763 4.740 -0.000 0.000 0.198 69 N C -0.776 174.701 175.510 -0.055 0.000 1.117 69 N CA -0.390 52.636 53.050 -0.039 0.000 0.845 69 N CB 0.162 38.633 38.487 -0.026 0.000 0.980 69 N HN 0.134 nan 8.380 nan 0.000 0.486 70 Y N 1.516 121.718 120.300 -0.163 0.000 2.526 70 Y HA 0.103 4.653 4.550 -0.000 0.000 0.330 70 Y C -0.059 175.690 175.900 -0.251 0.000 1.156 70 Y CA 0.336 58.310 58.100 -0.208 0.000 1.419 70 Y CB 0.541 38.856 38.460 -0.241 0.000 1.250 70 Y HN -0.163 nan 8.280 nan 0.000 0.540 71 S N 5.454 120.677 115.700 -0.796 0.000 2.542 71 S HA 0.510 4.980 4.470 -0.000 0.000 0.293 71 S C -1.228 172.925 174.600 -0.746 0.000 1.089 71 S CA -0.637 57.230 58.200 -0.554 0.000 0.961 71 S CB 0.693 63.666 63.200 -0.379 0.000 1.062 71 S HN 0.524 nan 8.310 nan 0.000 0.483 72 F N 1.492 121.256 119.950 -0.311 0.000 2.371 72 F HA 0.422 4.949 4.527 -0.000 0.000 0.329 72 F C 1.211 176.809 175.800 -0.337 0.000 1.107 72 F CA -0.046 57.799 58.000 -0.258 0.000 1.137 72 F CB 1.139 40.041 39.000 -0.164 0.000 1.214 72 F HN 0.312 nan 8.300 nan 0.000 0.536 73 T N 0.843 115.287 114.554 -0.185 0.000 2.912 73 T HA 0.588 4.938 4.350 -0.000 0.000 0.288 73 T C -0.676 173.876 174.700 -0.246 0.000 1.030 73 T CA -0.703 61.240 62.100 -0.263 0.000 1.020 73 T CB 1.653 70.319 68.868 -0.336 0.000 1.056 73 T HN 0.490 nan 8.240 nan 0.000 0.480 74 T N 2.804 117.248 114.554 -0.182 0.000 2.916 74 T HA 0.522 4.872 4.350 -0.000 0.000 0.298 74 T C -0.998 173.620 174.700 -0.136 0.000 1.031 74 T CA -0.870 61.136 62.100 -0.156 0.000 0.993 74 T CB 1.579 70.387 68.868 -0.099 0.000 1.045 74 T HN 0.599 nan 8.240 nan 0.000 0.454 75 E N 1.081 121.194 120.200 -0.145 0.000 2.343 75 E HA 0.677 5.027 4.350 -0.000 0.000 0.270 75 E C -1.305 175.242 176.600 -0.089 0.000 0.895 75 E CA -1.081 55.255 56.400 -0.107 0.000 0.767 75 E CB 2.485 32.121 29.700 -0.107 0.000 1.248 75 E HN 0.227 nan 8.360 nan 0.000 0.440 76 V N 2.727 122.613 119.914 -0.047 0.000 2.409 76 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 76 V C -0.162 175.969 176.094 0.062 0.000 1.020 76 V CA -0.661 61.642 62.300 0.005 0.000 0.848 76 V CB 0.845 32.693 31.823 0.043 0.000 0.990 76 V HN 0.597 nan 8.190 nan 0.000 0.430 77 R N 2.468 123.041 120.500 0.122 0.000 2.939 77 R HA 0.885 5.225 4.340 -0.000 0.000 0.254 77 R C -0.756 175.696 176.300 0.254 0.000 1.123 77 R CA -0.758 55.423 56.100 0.135 0.000 1.020 77 R CB 2.048 32.381 30.300 0.056 0.000 1.206 77 R HN 0.529 nan 8.270 nan 0.000 0.491 78 T N -1.290 113.395 114.554 0.219 0.000 2.868 78 T HA 0.182 4.532 4.350 -0.000 0.000 0.306 78 T C -0.541 174.295 174.700 0.226 0.000 1.224 78 T CA -0.547 61.700 62.100 0.245 0.000 1.012 78 T CB 1.887 70.833 68.868 0.129 0.000 1.221 78 T HN 0.525 nan 8.240 nan 0.000 0.499 79 D N 1.689 122.237 120.400 0.247 0.000 2.162 79 D HA 0.214 4.854 4.640 -0.000 0.000 0.205 79 D C 1.379 177.740 176.300 0.102 0.000 0.964 79 D CA 1.126 55.243 54.000 0.195 0.000 0.847 79 D CB -0.181 40.743 40.800 0.207 0.000 0.988 79 D HN 0.657 nan 8.370 nan 0.000 0.480 80 G N -0.857 107.989 108.800 0.078 0.000 2.714 80 G HA2 0.507 4.467 3.960 -0.000 0.000 0.197 80 G HA3 0.507 4.467 3.960 -0.000 0.000 0.197 80 G C -0.666 174.262 174.900 0.045 0.000 1.449 80 G CA 0.118 45.248 45.100 0.050 0.000 1.065 80 G HN 0.186 nan 8.290 nan 0.000 0.575 81 T N -2.423 112.151 114.554 0.034 0.000 3.709 81 T HA 0.473 4.823 4.350 -0.000 0.000 0.378 81 T C -1.352 173.362 174.700 0.022 0.000 1.352 81 T CA -0.404 61.713 62.100 0.030 0.000 1.144 81 T CB 1.126 70.010 68.868 0.026 0.000 1.289 81 T HN 1.287 nan 8.240 nan 0.000 0.476 82 L N 2.983 124.219 121.223 0.022 0.000 3.992 82 L HA 0.458 4.798 4.340 -0.000 0.000 0.266 82 L C -0.236 176.643 176.870 0.016 0.000 1.014 82 L CA -0.486 54.364 54.840 0.016 0.000 1.217 82 L CB 1.473 43.540 42.059 0.013 0.000 1.997 82 L HN 0.861 nan 8.230 nan 0.000 0.604 83 K N 2.195 122.603 120.400 0.014 0.000 2.387 83 K HA 0.519 4.839 4.320 -0.000 0.000 0.198 83 K C 1.042 177.647 176.600 0.008 0.000 1.022 83 K CA 0.671 56.966 56.287 0.014 0.000 1.128 83 K CB 0.600 33.109 32.500 0.015 0.000 0.853 83 K HN 0.507 nan 8.250 nan 0.000 0.523 84 G N 1.135 109.938 108.800 0.006 0.000 2.547 84 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.214 84 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.214 84 G C 1.182 176.081 174.900 -0.001 0.000 1.254 84 G CA 0.864 45.965 45.100 0.002 0.000 0.817 84 G HN 0.324 nan 8.290 nan 0.000 0.551 85 K N -1.753 118.647 120.400 -0.001 0.000 2.400 85 K HA 0.115 4.435 4.320 -0.000 0.000 0.155 85 K C -0.326 176.272 176.600 -0.004 0.000 1.954 85 K CA 0.267 56.551 56.287 -0.004 0.000 1.203 85 K CB 0.313 32.808 32.500 -0.007 0.000 2.000 85 K HN 0.424 nan 8.250 nan 0.000 0.532 86 K N 1.716 122.114 120.400 -0.002 0.000 2.449 86 K HA 0.429 4.749 4.320 -0.000 0.000 0.257 86 K C -0.929 175.672 176.600 0.002 0.000 0.989 86 K CA -0.860 55.426 56.287 -0.003 0.000 0.916 86 K CB 1.580 34.078 32.500 -0.004 0.000 1.136 86 K HN -0.104 nan 8.250 nan 0.000 0.439 87 L N 3.636 124.860 121.223 0.002 0.000 2.385 87 L HA 0.152 4.492 4.340 -0.000 0.000 0.281 87 L C -0.407 176.467 176.870 0.005 0.000 1.106 87 L CA 0.109 54.954 54.840 0.008 0.000 0.856 87 L CB 0.102 42.168 42.059 0.011 0.000 1.186 87 L HN 0.660 nan 8.230 nan 0.000 0.453 88 N N 5.188 123.894 118.700 0.010 0.000 3.178 88 N HA 0.365 5.105 4.740 -0.000 0.000 0.300 88 N C 0.136 175.655 175.510 0.014 0.000 1.242 88 N CA 0.533 53.589 53.050 0.009 0.000 1.192 88 N CB 0.425 38.918 38.487 0.011 0.000 1.463 88 N HN 0.884 nan 8.380 nan 0.000 0.539 89 G N 0.616 109.420 108.800 0.007 0.000 2.335 89 G HA2 0.042 4.002 3.960 -0.000 0.000 0.291 89 G HA3 0.042 4.002 3.960 -0.000 0.000 0.291 89 G C -1.474 173.412 174.900 -0.024 0.000 1.261 89 G CA -0.891 44.215 45.100 0.010 0.000 0.871 89 G HN 0.352 nan 8.290 nan 0.000 0.491 90 N N -0.854 117.815 118.700 -0.051 0.000 2.492 90 N HA 0.617 5.357 4.740 -0.000 0.000 0.289 90 N C -0.882 174.495 175.510 -0.221 0.000 1.133 90 N CA -0.498 52.430 53.050 -0.203 0.000 0.961 90 N CB 2.314 40.559 38.487 -0.403 0.000 1.186 90 N HN 0.442 nan 8.380 nan 0.000 0.493 91 L N 2.247 123.320 121.223 -0.251 0.000 2.313 91 L HA 0.456 4.796 4.340 -0.000 0.000 0.283 91 L C -1.685 175.078 176.870 -0.178 0.000 1.013 91 L CA -0.508 54.277 54.840 -0.091 0.000 0.816 91 L CB 0.353 42.423 42.059 0.019 0.000 1.236 91 L HN 0.485 nan 8.230 nan 0.000 0.419 92 Y N 5.156 125.498 120.300 0.070 0.000 2.352 92 Y HA 0.550 5.100 4.550 -0.000 0.000 0.339 92 Y C -0.497 175.410 175.900 0.012 0.000 0.992 92 Y CA -0.783 57.343 58.100 0.044 0.000 1.100 92 Y CB 1.776 40.249 38.460 0.022 0.000 1.192 92 Y HN 0.451 nan 8.280 nan 0.000 0.458 93 L N 5.151 126.447 121.223 0.121 0.000 2.277 93 L HA 0.454 4.794 4.340 -0.000 0.000 0.284 93 L C -0.642 176.217 176.870 -0.019 0.000 1.028 93 L CA -0.718 54.083 54.840 -0.065 0.000 0.835 93 L CB 0.505 42.450 42.059 -0.189 0.000 1.215 93 L HN 0.574 nan 8.230 nan 0.000 0.425 94 K N 3.956 124.330 120.400 -0.043 0.000 2.339 94 K HA 0.683 5.003 4.320 -0.000 0.000 0.264 94 K C -0.205 176.329 176.600 -0.111 0.000 0.986 94 K CA -0.560 55.699 56.287 -0.048 0.000 0.866 94 K CB 1.038 33.508 32.500 -0.050 0.000 1.103 94 K HN 0.810 nan 8.250 nan 0.000 0.441 95 G N 3.140 111.883 108.800 -0.095 0.000 2.356 95 G HA2 0.222 4.182 3.960 -0.000 0.000 0.298 95 G HA3 0.222 4.182 3.960 -0.000 0.000 0.298 95 G C -0.400 174.364 174.900 -0.228 0.000 1.145 95 G CA -0.571 44.445 45.100 -0.141 0.000 0.850 95 G HN 0.681 nan 8.290 nan 0.000 0.487 96 K N 1.444 121.614 120.400 -0.384 0.000 2.861 96 K HA 0.360 4.680 4.320 -0.000 0.000 0.210 96 K C 1.158 177.529 176.600 -0.381 0.000 1.112 96 K CA 0.136 55.954 56.287 -0.782 0.000 1.076 96 K CB 0.979 32.658 32.500 -1.368 0.000 0.853 96 K HN 0.892 nan 8.250 nan 0.000 0.463 97 G N 1.123 109.772 108.800 -0.251 0.000 2.213 97 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.226 97 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.226 97 G C -0.161 174.378 174.900 -0.601 0.000 0.992 97 G CA -0.252 44.705 45.100 -0.240 0.000 0.632 97 G HN 0.452 nan 8.290 nan 0.000 0.511 98 D N 2.096 122.211 120.400 -0.475 0.000 2.426 98 D HA 0.303 4.943 4.640 -0.000 0.000 0.261 98 D C -0.435 175.621 176.300 -0.405 0.000 1.245 98 D CA -0.910 52.763 54.000 -0.546 0.000 0.917 98 D CB 1.225 41.893 40.800 -0.220 0.000 1.123 98 D HN 0.273 nan 8.370 nan 0.000 0.508 99 P HA 0.025 nan 4.420 nan 0.000 0.261 99 P C 0.577 177.818 177.300 -0.098 0.000 1.268 99 P CA 0.292 63.272 63.100 -0.200 0.000 0.833 99 P CB 0.139 31.734 31.700 -0.175 0.000 1.231 100 T N -3.201 111.193 114.554 -0.267 0.000 3.105 100 T HA 0.226 4.576 4.350 -0.000 0.000 0.253 100 T C 0.676 175.306 174.700 -0.116 0.000 1.047 100 T CA -0.301 61.584 62.100 -0.359 0.000 0.944 100 T CB -0.680 67.629 68.868 -0.931 0.000 1.016 100 T HN -0.072 nan 8.240 nan 0.000 0.544 101 L N 2.349 123.513 121.223 -0.099 0.000 2.477 101 L HA 0.359 4.699 4.340 -0.000 0.000 0.272 101 L C 0.137 176.972 176.870 -0.059 0.000 1.157 101 L CA -0.243 54.481 54.840 -0.194 0.000 0.889 101 L CB 0.345 42.201 42.059 -0.338 0.000 1.158 101 L HN 0.225 nan 8.230 nan 0.000 0.473 102 L N 5.299 126.470 121.223 -0.086 0.000 2.358 102 L HA 0.375 4.715 4.340 -0.000 0.000 0.268 102 L C -1.452 175.446 176.870 0.046 0.000 1.032 102 L CA -1.787 53.083 54.840 0.050 0.000 0.805 102 L CB 1.110 43.225 42.059 0.093 0.000 1.253 102 L HN 0.291 nan 8.230 nan 0.000 0.452 103 P HA -0.172 nan 4.420 nan 0.000 0.217 103 P C 1.428 178.814 177.300 0.144 0.000 1.148 103 P CA 1.347 64.576 63.100 0.216 0.000 0.828 103 P CB 0.171 31.944 31.700 0.121 0.000 0.783 104 S N -1.849 113.883 115.700 0.053 0.000 2.453 104 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 104 S C 1.650 176.215 174.600 -0.059 0.000 1.005 104 S CA 0.991 59.199 58.200 0.013 0.000 0.949 104 S CB -0.943 62.263 63.200 0.010 0.000 0.774 104 S HN 0.094 nan 8.310 nan 0.000 0.510 105 D N 1.058 121.356 120.400 -0.170 0.000 2.149 105 D HA 0.067 4.707 4.640 -0.000 0.000 0.201 105 D C 1.398 177.465 176.300 -0.388 0.000 0.972 105 D CA 0.879 54.653 54.000 -0.377 0.000 0.835 105 D CB -0.306 40.148 40.800 -0.575 0.000 0.966 105 D HN 0.494 nan 8.370 nan 0.000 0.476 106 F N 1.396 121.310 119.950 -0.061 0.000 2.259 106 F HA -0.092 4.435 4.527 0.000 0.000 0.298 106 F C 2.187 178.044 175.800 0.094 0.000 1.088 106 F CA 0.489 58.522 58.000 0.055 0.000 1.358 106 F CB -0.004 39.066 39.000 0.117 0.000 1.040 106 F HN -0.191 nan 8.300 nan 0.000 0.505 107 D N 0.413 120.912 120.400 0.165 0.000 2.117 107 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 107 D C 2.111 178.438 176.300 0.046 0.000 0.987 107 D CA 1.167 55.221 54.000 0.091 0.000 0.829 107 D CB -0.291 40.540 40.800 0.051 0.000 0.961 107 D HN 0.194 nan 8.370 nan 0.000 0.460 108 K N -0.002 120.391 120.400 -0.011 0.000 2.097 108 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 108 K C 2.187 178.770 176.600 -0.028 0.000 1.050 108 K CA 0.775 57.032 56.287 -0.050 0.000 0.938 108 K CB 0.016 32.449 32.500 -0.110 0.000 0.718 108 K HN 0.039 nan 8.250 nan 0.000 0.442 109 M N 0.011 119.612 119.600 0.002 0.000 2.117 109 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 109 M C 2.318 178.728 176.300 0.184 0.000 1.065 109 M CA 1.678 57.027 55.300 0.082 0.000 1.114 109 M CB -0.252 32.422 32.600 0.124 0.000 1.361 109 M HN 0.269 nan 8.290 nan 0.000 0.408 110 A N -0.119 122.824 122.820 0.206 0.000 1.969 110 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 110 A C 2.006 179.625 177.584 0.059 0.000 1.169 110 A CA 1.814 53.906 52.037 0.091 0.000 0.635 110 A CB -0.709 18.287 19.000 -0.006 0.000 0.810 110 A HN 0.573 nan 8.150 nan 0.000 0.445 111 E N 0.028 120.257 120.200 0.048 0.000 2.072 111 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 111 E C 1.891 178.519 176.600 0.048 0.000 0.985 111 E CA 1.500 57.929 56.400 0.050 0.000 0.801 111 E CB -0.268 29.426 29.700 -0.010 0.000 0.750 111 E HN 0.723 nan 8.360 nan 0.000 0.452 112 I N -0.610 119.948 120.570 -0.020 0.000 2.394 112 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 112 I C 1.939 178.104 176.117 0.081 0.000 1.136 112 I CA 0.928 62.213 61.300 -0.026 0.000 1.425 112 I CB -0.199 37.776 38.000 -0.042 0.000 1.079 112 I HN 0.084 nan 8.210 nan 0.000 0.425 113 L N 0.918 122.193 121.223 0.087 0.000 2.046 113 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 113 L C 2.498 179.419 176.870 0.085 0.000 1.077 113 L CA 1.851 56.744 54.840 0.088 0.000 0.747 113 L CB -1.193 40.921 42.059 0.092 0.000 0.896 113 L HN 0.358 nan 8.230 nan 0.000 0.432 114 K N -1.169 119.291 120.400 0.100 0.000 2.057 114 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 114 K C 2.145 178.802 176.600 0.096 0.000 1.049 114 K CA 1.520 57.858 56.287 0.084 0.000 0.931 114 K CB -0.291 32.265 32.500 0.093 0.000 0.714 114 K HN 0.343 nan 8.250 nan 0.000 0.440 115 H N -0.787 118.287 119.070 0.006 0.000 2.421 115 H HA 0.047 4.603 4.556 -0.000 0.000 0.298 115 H C 1.481 176.813 175.328 0.006 0.000 1.087 115 H CA 1.713 57.764 56.048 0.005 0.000 1.330 115 H CB 0.001 29.767 29.762 0.007 0.000 1.388 115 H HN 0.132 nan 8.280 nan 0.000 0.526 116 S N -1.234 114.542 115.700 0.127 0.000 2.603 116 S HA 0.169 4.639 4.470 -0.000 0.000 0.220 116 S C 1.695 176.320 174.600 0.040 0.000 0.967 116 S CA 0.627 58.871 58.200 0.073 0.000 0.920 116 S CB 0.272 63.512 63.200 0.066 0.000 0.773 116 S HN 0.799 nan 8.310 nan 0.000 0.529 117 G N 0.655 109.471 108.800 0.027 0.000 2.232 117 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.226 117 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.226 117 G C 0.165 175.070 174.900 0.009 0.000 0.996 117 G CA -0.177 44.929 45.100 0.010 0.000 0.626 117 G HN 0.386 nan 8.290 nan 0.000 0.509 118 V N 1.909 121.834 119.914 0.019 0.000 2.458 118 V HA 0.296 4.416 4.120 -0.000 0.000 0.287 118 V C 1.430 177.523 176.094 -0.001 0.000 1.009 118 V CA 1.619 63.926 62.300 0.012 0.000 1.091 118 V CB 1.364 33.200 31.823 0.022 0.000 0.960 118 V HN 0.407 nan 8.190 nan 0.000 0.476 119 K N 3.513 123.908 120.400 -0.009 0.000 2.435 119 K HA 0.360 4.680 4.320 -0.000 0.000 0.199 119 K C -0.184 176.402 176.600 -0.024 0.000 1.153 119 K CA 0.251 56.528 56.287 -0.017 0.000 0.974 119 K CB 1.342 33.832 32.500 -0.016 0.000 0.997 119 K HN 0.481 nan 8.250 nan 0.000 0.547 120 V N 1.156 121.057 119.914 -0.022 0.000 3.120 120 V HA 0.437 4.557 4.120 -0.000 0.000 0.303 120 V C -1.896 174.183 176.094 -0.025 0.000 1.238 120 V CA -0.877 61.407 62.300 -0.027 0.000 1.008 120 V CB 2.254 34.064 31.823 -0.022 0.000 1.064 120 V HN 0.027 nan 8.190 nan 0.000 0.434 121 I N 5.491 126.041 120.570 -0.033 0.000 2.437 121 I HA 0.417 4.587 4.170 -0.000 0.000 0.279 121 I C 0.933 177.032 176.117 -0.031 0.000 1.028 121 I CA -0.494 60.787 61.300 -0.032 0.000 1.142 121 I CB 1.653 39.626 38.000 -0.045 0.000 1.266 121 I HN 0.652 nan 8.210 nan 0.000 0.461 122 K N 3.402 123.788 120.400 -0.023 0.000 2.057 122 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 122 K C 1.496 178.081 176.600 -0.025 0.000 1.049 122 K CA 1.166 57.441 56.287 -0.019 0.000 0.931 122 K CB -0.012 32.481 32.500 -0.011 0.000 0.714 122 K HN 0.778 nan 8.250 nan 0.000 0.440 123 G N 1.249 110.029 108.800 -0.032 0.000 2.803 123 G HA2 0.023 3.983 3.960 -0.000 0.000 0.177 123 G HA3 0.023 3.983 3.960 -0.000 0.000 0.177 123 G C 0.048 174.911 174.900 -0.061 0.000 1.629 123 G CA -0.400 44.674 45.100 -0.044 0.000 1.077 123 G HN 0.129 nan 8.290 nan 0.000 0.556 124 N N -0.777 117.867 118.700 -0.093 0.000 2.483 124 N HA 0.350 5.090 4.740 -0.000 0.000 0.285 124 N C -1.148 174.280 175.510 -0.137 0.000 1.210 124 N CA -0.571 52.420 53.050 -0.099 0.000 0.931 124 N CB 2.225 40.657 38.487 -0.091 0.000 1.220 124 N HN 0.190 nan 8.380 nan 0.000 0.542 125 L N 1.963 123.128 121.223 -0.097 0.000 2.276 125 L HA 0.513 4.853 4.340 -0.000 0.000 0.286 125 L C -1.093 175.735 176.870 -0.069 0.000 1.024 125 L CA -0.464 54.333 54.840 -0.073 0.000 0.826 125 L CB 0.285 42.326 42.059 -0.030 0.000 1.211 125 L HN 0.411 nan 8.230 nan 0.000 0.422 126 I N 4.212 124.713 120.570 -0.115 0.000 2.406 126 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 126 I C 0.603 176.760 176.117 0.066 0.000 0.999 126 I CA -0.537 60.736 61.300 -0.044 0.000 1.124 126 I CB 1.955 39.882 38.000 -0.121 0.000 1.289 126 I HN 0.581 nan 8.210 nan 0.000 0.441 127 G N 3.611 112.450 108.800 0.066 0.000 2.320 127 G HA2 0.305 4.265 3.960 -0.000 0.000 0.300 127 G HA3 0.305 4.265 3.960 -0.000 0.000 0.300 127 G C -0.959 173.991 174.900 0.085 0.000 1.126 127 G CA -0.141 44.995 45.100 0.059 0.000 0.896 127 G HN 0.585 nan 8.290 nan 0.000 0.436 128 D N 2.000 122.453 120.400 0.089 0.000 2.441 128 D HA 0.204 4.844 4.640 -0.000 0.000 0.231 128 D C 0.084 176.418 176.300 0.056 0.000 1.073 128 D CA -0.802 53.250 54.000 0.086 0.000 0.850 128 D CB 1.588 42.446 40.800 0.096 0.000 1.062 128 D HN 0.395 nan 8.370 nan 0.000 0.524 129 D N 1.031 121.468 120.400 0.062 0.000 2.424 129 D HA -0.040 4.600 4.640 -0.000 0.000 0.220 129 D C 1.242 177.602 176.300 0.100 0.000 1.150 129 D CA -0.115 53.924 54.000 0.064 0.000 0.831 129 D CB -0.103 40.728 40.800 0.051 0.000 0.981 129 D HN 0.286 nan 8.370 nan 0.000 0.500 130 T N -4.049 110.571 114.554 0.109 0.000 3.051 130 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 130 T C 1.512 176.310 174.700 0.164 0.000 1.127 130 T CA 0.073 62.242 62.100 0.115 0.000 1.107 130 T CB -0.865 68.055 68.868 0.087 0.000 0.898 130 T HN 0.441 nan 8.240 nan 0.000 0.517 131 W N 2.049 123.334 121.300 -0.024 0.000 2.321 131 W HA -0.122 4.538 4.660 -0.000 0.000 0.306 131 W C 0.158 176.736 176.519 0.098 0.000 1.217 131 W CA 1.103 58.431 57.345 -0.028 0.000 1.257 131 W CB -0.078 29.297 29.460 -0.143 0.000 1.145 131 W HN 0.339 nan 8.180 nan 0.000 0.509 132 H N 0.165 119.300 119.070 0.109 0.000 2.651 132 H HA 0.158 4.714 4.556 -0.000 0.000 0.353 132 H C -0.015 175.298 175.328 -0.024 0.000 1.178 132 H CA -0.544 55.485 56.048 -0.032 0.000 1.224 132 H CB 0.995 30.760 29.762 0.004 0.000 1.702 132 H HN -0.093 nan 8.280 nan 0.000 0.550 133 D N -0.664 119.773 120.400 0.062 0.000 2.372 133 D HA -0.080 4.560 4.640 -0.000 0.000 0.243 133 D C 0.568 176.909 176.300 0.070 0.000 1.297 133 D CA -0.355 53.672 54.000 0.044 0.000 0.958 133 D CB 0.525 41.337 40.800 0.020 0.000 1.114 133 D HN 0.595 nan 8.370 nan 0.000 0.496 134 D N -1.143 119.298 120.400 0.068 0.000 2.340 134 D HA -0.032 4.608 4.640 -0.000 0.000 0.220 134 D C 0.700 177.053 176.300 0.089 0.000 1.039 134 D CA -0.278 53.763 54.000 0.068 0.000 0.866 134 D CB -0.652 40.179 40.800 0.052 0.000 0.913 134 D HN 0.416 nan 8.370 nan 0.000 0.523 135 M N 0.693 120.379 119.600 0.143 0.000 2.251 135 M HA 0.161 4.641 4.480 -0.000 0.000 0.346 135 M C 0.676 177.156 176.300 0.299 0.000 1.499 135 M CA -0.291 55.148 55.300 0.230 0.000 1.128 135 M CB 0.760 33.577 32.600 0.361 0.000 1.809 135 M HN -0.271 nan 8.290 nan 0.000 0.464 136 R N 3.661 124.274 120.500 0.188 0.000 2.280 136 R HA 0.392 4.732 4.340 -0.000 0.000 0.195 136 R C -0.836 175.600 176.300 0.226 0.000 0.935 136 R CA 0.718 56.911 56.100 0.156 0.000 1.033 136 R CB 0.233 30.519 30.300 -0.023 0.000 0.964 136 R HN 0.670 nan 8.270 nan 0.000 0.489 137 L N 0.071 121.408 121.223 0.190 0.000 2.422 137 L HA 0.408 4.748 4.340 -0.000 0.000 0.264 137 L C -0.331 176.324 176.870 -0.358 0.000 0.984 137 L CA -1.234 53.642 54.840 0.059 0.000 0.819 137 L CB 2.175 44.247 42.059 0.022 0.000 1.330 137 L HN -0.041 nan 8.230 nan 0.000 0.410 138 S N 1.123 116.584 115.700 -0.397 0.000 2.558 138 S HA 0.069 4.539 4.470 -0.000 0.000 0.293 138 S C -1.394 172.797 174.600 -0.681 0.000 1.292 138 S CA -0.812 56.859 58.200 -0.881 0.000 1.063 138 S CB 0.229 63.258 63.200 -0.284 0.000 0.831 138 S HN 0.593 nan 8.310 nan 0.000 0.499 139 P HA -0.202 nan 4.420 nan 0.000 0.220 139 P C 0.293 177.464 177.300 -0.215 0.000 1.155 139 P CA 1.654 64.501 63.100 -0.422 0.000 0.880 139 P CB -0.047 31.426 31.700 -0.378 0.000 0.790 140 D N -1.619 118.675 120.400 -0.178 0.000 2.368 140 D HA 0.122 4.762 4.640 -0.000 0.000 0.218 140 D C 0.890 177.167 176.300 -0.039 0.000 1.112 140 D CA -0.056 53.899 54.000 -0.075 0.000 0.834 140 D CB -0.324 40.450 40.800 -0.043 0.000 0.953 140 D HN 0.247 nan 8.370 nan 0.000 0.505 141 M N 1.925 121.486 119.600 -0.066 0.000 2.217 141 M HA 0.201 4.681 4.480 -0.000 0.000 0.352 141 M C -2.329 173.972 176.300 0.002 0.000 1.376 141 M CA -1.169 54.113 55.300 -0.030 0.000 1.107 141 M CB 0.812 33.384 32.600 -0.047 0.000 1.723 141 M HN -0.318 nan 8.290 nan 0.000 0.461 142 P HA -0.080 nan 4.420 nan 0.000 0.265 142 P C 0.342 177.596 177.300 -0.076 0.000 1.193 142 P CA -0.091 62.995 63.100 -0.023 0.000 0.765 142 P CB 0.163 31.807 31.700 -0.093 0.000 0.823 143 W N 2.804 124.084 121.300 -0.034 0.000 2.350 143 W HA -0.155 4.505 4.660 0.000 0.000 0.289 143 W C 0.873 177.320 176.519 -0.120 0.000 1.215 143 W CA 1.466 58.763 57.345 -0.080 0.000 1.236 143 W CB -2.034 27.336 29.460 -0.149 0.000 1.130 143 W HN 0.352 nan 8.180 nan 0.000 0.541 144 S N -0.007 114.771 115.700 -1.537 0.000 2.555 144 S HA -0.136 4.334 4.470 -0.000 0.000 0.230 144 S C 0.950 175.186 174.600 -0.608 0.000 0.978 144 S CA 1.254 58.608 58.200 -1.410 0.000 0.934 144 S CB -0.426 62.019 63.200 -1.258 0.000 0.766 144 S HN 0.077 nan 8.310 nan 0.000 0.533 145 D N 1.388 121.507 120.400 -0.469 0.000 2.360 145 D HA 0.138 4.778 4.640 -0.000 0.000 0.210 145 D C 1.595 177.594 176.300 -0.502 0.000 1.047 145 D CA 0.151 53.849 54.000 -0.504 0.000 0.854 145 D CB -0.073 40.531 40.800 -0.326 0.000 0.936 145 D HN 0.545 nan 8.370 nan 0.000 0.514 146 E N 0.164 120.212 120.200 -0.253 0.000 2.130 146 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 146 E C 1.717 178.286 176.600 -0.052 0.000 0.998 146 E CA 1.032 57.396 56.400 -0.060 0.000 0.806 146 E CB -0.247 29.551 29.700 0.164 0.000 0.738 146 E HN 0.540 nan 8.360 nan 0.000 0.459 147 Y N 0.329 120.579 120.300 -0.085 0.000 2.561 147 Y HA 0.125 4.675 4.550 -0.000 0.000 0.291 147 Y C 1.122 176.966 175.900 -0.094 0.000 1.141 147 Y CA 0.491 58.565 58.100 -0.043 0.000 1.303 147 Y CB -0.404 38.035 38.460 -0.036 0.000 1.015 147 Y HN -0.271 nan 8.280 nan 0.000 0.547 148 T N 0.429 114.453 114.554 -0.882 0.000 2.882 148 T HA 0.081 4.431 4.350 -0.000 0.000 0.287 148 T C 0.798 175.207 174.700 -0.486 0.000 1.014 148 T CA -0.067 61.517 62.100 -0.859 0.000 1.049 148 T CB 0.440 68.374 68.868 -1.557 0.000 1.001 148 T HN 0.485 nan 8.240 nan 0.000 0.525 149 Y N 2.272 122.447 120.300 -0.208 0.000 2.293 149 Y HA -0.073 4.477 4.550 0.000 0.000 0.291 149 Y C 1.627 177.499 175.900 -0.046 0.000 1.137 149 Y CA 1.205 59.297 58.100 -0.013 0.000 1.202 149 Y CB -1.156 37.386 38.460 0.136 0.000 0.990 149 Y HN 0.777 nan 8.280 nan 0.000 0.537 150 Y N -0.446 119.404 120.300 -0.750 0.000 2.529 150 Y HA 0.545 5.095 4.550 -0.000 0.000 0.290 150 Y C 1.576 177.339 175.900 -0.228 0.000 1.177 150 Y CA -0.220 57.604 58.100 -0.460 0.000 1.305 150 Y CB -0.326 37.760 38.460 -0.625 0.000 1.047 150 Y HN 0.097 nan 8.280 nan 0.000 0.522 151 G N 0.119 108.640 108.800 -0.465 0.000 3.969 151 G HA2 0.516 4.476 3.960 -0.000 0.000 0.291 151 G HA3 0.516 4.476 3.960 -0.000 0.000 0.291 151 G C 0.175 174.998 174.900 -0.128 0.000 1.016 151 G CA -0.029 44.912 45.100 -0.266 0.000 0.819 151 G HN 0.550 nan 8.290 nan 0.000 0.493 152 A N 0.902 123.686 122.820 -0.060 0.000 2.448 152 A HA 0.594 4.914 4.320 -0.000 0.000 0.239 152 A C -2.130 175.501 177.584 0.079 0.000 1.080 152 A CA -0.652 51.408 52.037 0.037 0.000 0.779 152 A CB 0.136 19.196 19.000 0.101 0.000 1.026 152 A HN 0.191 nan 8.150 nan 0.000 0.499 153 P HA 0.193 nan 4.420 nan 0.000 0.269 153 P C -0.741 176.628 177.300 0.114 0.000 1.209 153 P CA 0.054 63.205 63.100 0.084 0.000 0.776 153 P CB 0.378 32.093 31.700 0.025 0.000 0.876 154 I N 1.935 122.591 120.570 0.143 0.000 2.330 154 I HA 0.338 4.508 4.170 -0.000 0.000 0.289 154 I C 0.317 176.490 176.117 0.093 0.000 1.001 154 I CA 0.015 61.393 61.300 0.130 0.000 1.193 154 I CB 0.588 38.688 38.000 0.167 0.000 1.345 154 I HN 0.251 nan 8.210 nan 0.000 0.461 155 S N 4.042 119.788 115.700 0.076 0.000 2.541 155 S HA 0.648 5.118 4.470 -0.000 0.000 0.280 155 S C 0.873 175.501 174.600 0.046 0.000 1.112 155 S CA -0.060 58.179 58.200 0.066 0.000 0.925 155 S CB 1.890 65.121 63.200 0.052 0.000 1.067 155 S HN 0.686 nan 8.310 nan 0.000 0.479 156 A N 3.844 126.691 122.820 0.046 0.000 2.024 156 A HA 0.118 4.438 4.320 -0.000 0.000 0.220 156 A C 0.881 178.428 177.584 -0.062 0.000 1.164 156 A CA 1.012 53.019 52.037 -0.050 0.000 0.643 156 A CB -0.379 18.596 19.000 -0.042 0.000 0.806 156 A HN 0.757 nan 8.150 nan 0.000 0.451 157 L N 0.183 121.396 121.223 -0.016 0.000 2.295 157 L HA 0.498 4.838 4.340 -0.000 0.000 0.281 157 L C -0.299 176.579 176.870 0.013 0.000 1.018 157 L CA -0.087 54.745 54.840 -0.015 0.000 0.841 157 L CB 1.467 43.520 42.059 -0.011 0.000 1.218 157 L HN 0.314 nan 8.230 nan 0.000 0.424 158 T N 2.989 117.560 114.554 0.030 0.000 2.647 158 T HA 0.880 5.230 4.350 -0.000 0.000 0.295 158 T C -1.770 172.995 174.700 0.108 0.000 1.126 158 T CA -0.035 62.109 62.100 0.073 0.000 1.040 158 T CB 1.952 70.875 68.868 0.091 0.000 1.472 158 T HN 0.689 nan 8.240 nan 0.000 0.500 159 A N 0.823 123.721 122.820 0.129 0.000 2.574 159 A HA 0.742 5.062 4.320 -0.000 0.000 0.297 159 A C -0.952 176.770 177.584 0.230 0.000 1.062 159 A CA -0.548 51.572 52.037 0.138 0.000 0.686 159 A CB 1.756 20.728 19.000 -0.047 0.000 1.285 159 A HN 0.666 nan 8.150 nan 0.000 0.403 160 S N 2.034 117.881 115.700 0.245 0.000 2.537 160 S HA 0.674 5.144 4.470 -0.000 0.000 0.301 160 S C -1.882 172.880 174.600 0.270 0.000 1.092 160 S CA -1.152 57.236 58.200 0.313 0.000 1.048 160 S CB 1.769 65.201 63.200 0.386 0.000 1.053 160 S HN 0.647 nan 8.310 nan 0.000 0.501 161 P HA 0.031 nan 4.420 nan 0.000 0.227 161 P C -0.114 177.269 177.300 0.138 0.000 1.161 161 P CA 0.842 64.048 63.100 0.178 0.000 0.788 161 P CB -0.001 31.748 31.700 0.081 0.000 0.822 162 N N -1.138 117.663 118.700 0.169 0.000 3.106 162 N HA 0.037 4.777 4.740 -0.000 0.000 0.253 162 N C 0.262 175.685 175.510 -0.145 0.000 1.506 162 N CA -0.574 52.520 53.050 0.073 0.000 0.876 162 N CB 0.146 38.723 38.487 0.150 0.000 1.452 162 N HN -0.313 nan 8.380 nan 0.000 0.542 163 E N -0.755 119.264 120.200 -0.301 0.000 2.510 163 E HA -0.096 4.254 4.350 -0.000 0.000 0.202 163 E C -0.275 175.784 176.600 -0.901 0.000 1.072 163 E CA 0.680 56.597 56.400 -0.805 0.000 0.883 163 E CB -0.065 29.409 29.700 -0.377 0.000 0.818 163 E HN 0.398 nan 8.360 nan 0.000 0.548 164 D N -0.446 119.701 120.400 -0.422 0.000 2.323 164 D HA -0.068 4.572 4.640 -0.000 0.000 0.209 164 D C -0.407 175.856 176.300 -0.062 0.000 0.973 164 D CA 0.330 54.194 54.000 -0.228 0.000 0.874 164 D CB 0.057 40.723 40.800 -0.225 0.000 0.930 164 D HN 0.123 nan 8.370 nan 0.000 0.521 165 Y N 0.522 120.915 120.300 0.155 0.000 3.057 165 Y HA -0.221 4.329 4.550 -0.000 0.000 0.192 165 Y C -0.502 175.512 175.900 0.189 0.000 1.448 165 Y CA -0.378 57.849 58.100 0.211 0.000 1.065 165 Y CB -2.443 36.193 38.460 0.293 0.000 1.369 165 Y HN 0.013 nan 8.280 nan 0.000 0.460 166 D N 1.149 121.708 120.400 0.265 0.000 2.494 166 D HA 0.478 5.118 4.640 -0.000 0.000 0.217 166 D C 0.677 177.162 176.300 0.308 0.000 1.153 166 D CA 0.314 54.452 54.000 0.231 0.000 0.954 166 D CB 0.687 41.620 40.800 0.221 0.000 1.034 166 D HN 0.512 nan 8.370 nan 0.000 0.518 167 A N 0.808 123.797 122.820 0.282 0.000 2.511 167 A HA 0.441 4.761 4.320 -0.000 0.000 0.242 167 A C 1.470 179.207 177.584 0.256 0.000 1.069 167 A CA 0.551 52.748 52.037 0.267 0.000 0.763 167 A CB 0.207 19.332 19.000 0.209 0.000 1.001 167 A HN 0.724 nan 8.150 nan 0.000 0.498 168 G N 1.496 110.480 108.800 0.308 0.000 2.160 168 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.244 168 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.244 168 G C 0.315 175.339 174.900 0.207 0.000 1.022 168 G CA 1.062 46.331 45.100 0.282 0.000 0.741 168 G HN 2.390 nan 8.290 nan 0.000 0.508 169 T N -3.172 111.540 114.554 0.263 0.000 2.901 169 T HA 0.890 5.240 4.350 -0.000 0.000 0.293 169 T C -0.074 174.693 174.700 0.111 0.000 1.084 169 T CA -0.180 62.028 62.100 0.180 0.000 1.008 169 T CB 2.901 71.971 68.868 0.336 0.000 1.170 169 T HN 1.686 nan 8.240 nan 0.000 0.509 170 V N -1.026 118.879 119.914 -0.016 0.000 3.074 170 V HA 0.772 4.892 4.120 -0.000 0.000 0.314 170 V C -0.730 175.229 176.094 -0.225 0.000 1.117 170 V CA -1.450 60.807 62.300 -0.071 0.000 1.014 170 V CB 1.563 33.326 31.823 -0.100 0.000 1.057 170 V HN 1.019 nan 8.190 nan 0.000 0.438 171 I N 2.066 122.431 120.570 -0.341 0.000 2.339 171 I HA 0.496 4.666 4.170 -0.000 0.000 0.290 171 I C -0.673 175.266 176.117 -0.296 0.000 0.994 171 I CA -0.789 60.166 61.300 -0.575 0.000 1.191 171 I CB 1.781 39.281 38.000 -0.834 0.000 1.343 171 I HN 0.414 nan 8.210 nan 0.000 0.458 172 V N 6.137 125.926 119.914 -0.208 0.000 2.398 172 V HA 0.334 4.454 4.120 -0.000 0.000 0.286 172 V C -0.037 176.009 176.094 -0.080 0.000 1.026 172 V CA -0.535 61.706 62.300 -0.098 0.000 0.868 172 V CB 1.542 33.346 31.823 -0.033 0.000 0.982 172 V HN 0.728 nan 8.190 nan 0.000 0.443 173 E N 3.772 123.934 120.200 -0.063 0.000 2.210 173 E HA 0.622 4.972 4.350 -0.000 0.000 0.266 173 E C -1.725 174.866 176.600 -0.015 0.000 0.883 173 E CA -0.564 55.814 56.400 -0.036 0.000 0.761 173 E CB 2.182 31.854 29.700 -0.046 0.000 1.156 173 E HN 0.475 nan 8.360 nan 0.000 0.412 174 V N 3.993 123.907 119.914 0.001 0.000 2.357 174 V HA 0.319 4.439 4.120 -0.000 0.000 0.284 174 V C -0.376 175.722 176.094 0.007 0.000 1.018 174 V CA -0.598 61.705 62.300 0.004 0.000 0.841 174 V CB 1.565 33.394 31.823 0.010 0.000 0.991 174 V HN 0.724 nan 8.190 nan 0.000 0.437 175 T N 7.645 122.201 114.554 0.003 0.000 2.874 175 T HA 0.336 4.686 4.350 -0.000 0.000 0.321 175 T C -2.546 172.157 174.700 0.005 0.000 1.075 175 T CA -1.210 60.893 62.100 0.005 0.000 0.966 175 T CB 1.339 70.209 68.868 0.003 0.000 1.001 175 T HN 0.474 nan 8.240 nan 0.000 0.476 176 P HA 0.053 nan 4.420 nan 0.000 0.270 176 P C 0.113 177.416 177.300 0.005 0.000 1.242 176 P CA -0.280 62.823 63.100 0.006 0.000 0.768 176 P CB 0.414 32.118 31.700 0.007 0.000 0.820 177 N N 3.107 121.809 118.700 0.003 0.000 2.262 177 N HA 0.028 4.768 4.740 -0.000 0.000 0.260 177 N C 0.013 175.525 175.510 0.003 0.000 1.305 177 N CA -0.840 52.212 53.050 0.003 0.000 0.913 177 N CB 0.315 38.803 38.487 0.002 0.000 1.116 177 N HN 0.406 nan 8.380 nan 0.000 0.512 178 Q N 0.096 119.897 119.800 0.003 0.000 2.306 178 Q HA 0.202 4.542 4.340 -0.000 0.000 0.241 178 Q C -0.585 175.417 176.000 0.003 0.000 0.948 178 Q CA -0.232 55.573 55.803 0.003 0.000 0.886 178 Q CB 0.911 29.650 28.738 0.003 0.000 1.227 178 Q HN 0.553 nan 8.270 nan 0.000 0.457 179 K N -0.152 120.250 120.400 0.003 0.000 1.399 179 K HA -0.262 4.058 4.320 -0.000 0.000 0.733 179 K C -0.505 176.096 176.600 0.002 0.000 1.997 179 K CA 1.223 57.511 56.287 0.002 0.000 1.105 179 K CB -0.603 31.898 32.500 0.002 0.000 2.031 179 K HN 0.752 nan 8.250 nan 0.000 0.456 180 E N -1.521 118.680 120.200 0.002 0.000 2.580 180 E HA 0.487 4.837 4.350 -0.000 0.000 0.178 180 E C 0.863 177.463 176.600 0.000 0.000 0.738 180 E CA -0.592 55.809 56.400 0.001 0.000 0.967 180 E CB 0.349 30.050 29.700 0.001 0.000 1.942 180 E HN 0.790 nan 8.360 nan 0.000 0.376 181 G N 0.324 109.124 108.800 0.000 0.000 2.587 181 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.246 181 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.246 181 G C 0.821 175.720 174.900 -0.001 0.000 1.058 181 G CA 1.590 46.690 45.100 -0.001 0.000 0.658 181 G HN 0.469 nan 8.290 nan 0.000 0.538 182 E N 0.582 120.782 120.200 -0.001 0.000 2.226 182 E HA 0.452 4.802 4.350 -0.000 0.000 0.238 182 E C 0.726 177.325 176.600 -0.002 0.000 0.859 182 E CA 0.585 56.984 56.400 -0.001 0.000 1.114 182 E CB 0.102 29.801 29.700 -0.001 0.000 1.184 182 E HN 0.803 nan 8.360 nan 0.000 0.517 183 E N -0.003 120.197 120.200 -0.001 0.000 2.790 183 E HA 0.106 4.456 4.350 -0.000 0.000 0.298 183 E C -3.008 173.592 176.600 -0.001 0.000 1.166 183 E CA -1.140 55.259 56.400 -0.001 0.000 0.924 183 E CB 0.762 30.460 29.700 -0.003 0.000 1.144 183 E HN -0.049 nan 8.360 nan 0.000 0.455 184 P HA 0.164 nan 4.420 nan 0.000 0.271 184 P C -0.492 176.808 177.300 -0.001 0.000 1.233 184 P CA -0.085 63.016 63.100 0.001 0.000 0.789 184 P CB 0.682 32.384 31.700 0.002 0.000 0.951 185 A N 1.441 124.261 122.820 -0.001 0.000 2.310 185 A HA 0.515 4.835 4.320 -0.000 0.000 0.299 185 A C -0.412 177.170 177.584 -0.004 0.000 1.147 185 A CA -0.487 51.549 52.037 -0.002 0.000 0.818 185 A CB 0.372 19.371 19.000 -0.002 0.000 1.096 185 A HN 0.340 nan 8.150 nan 0.000 0.495 186 V N 2.602 122.513 119.914 -0.006 0.000 2.483 186 V HA 0.562 4.682 4.120 -0.000 0.000 0.297 186 V C 0.087 176.174 176.094 -0.012 0.000 1.027 186 V CA -0.232 62.063 62.300 -0.009 0.000 0.855 186 V CB 1.564 33.381 31.823 -0.009 0.000 0.995 186 V HN 1.121 nan 8.190 nan 0.000 0.424 187 S N 4.116 119.805 115.700 -0.018 0.000 2.568 187 S HA 0.888 5.358 4.470 -0.000 0.000 0.302 187 S C -0.947 173.633 174.600 -0.033 0.000 1.082 187 S CA -0.785 57.402 58.200 -0.021 0.000 1.009 187 S CB 2.195 65.381 63.200 -0.022 0.000 1.069 187 S HN 0.403 nan 8.310 nan 0.000 0.500 188 V N 1.941 121.839 119.914 -0.027 0.000 2.531 188 V HA 0.629 4.749 4.120 -0.000 0.000 0.301 188 V C -0.504 175.574 176.094 -0.026 0.000 1.034 188 V CA -0.511 61.769 62.300 -0.034 0.000 0.865 188 V CB 1.790 33.607 31.823 -0.009 0.000 0.995 188 V HN 1.012 nan 8.190 nan 0.000 0.424 189 S N 6.138 121.803 115.700 -0.058 0.000 2.502 189 S HA 0.507 4.977 4.470 -0.000 0.000 0.304 189 S C -1.998 172.603 174.600 0.001 0.000 1.097 189 S CA -1.048 57.130 58.200 -0.037 0.000 1.045 189 S CB 2.354 65.505 63.200 -0.083 0.000 1.019 189 S HN 0.538 nan 8.310 nan 0.000 0.481 190 P HA -0.066 nan 4.420 nan 0.000 0.202 190 P C -0.401 176.934 177.300 0.059 0.000 1.121 190 P CA 1.026 64.172 63.100 0.077 0.000 0.939 190 P CB 0.203 31.969 31.700 0.109 0.000 0.761 191 K N -2.399 118.054 120.400 0.087 0.000 2.362 191 K HA 0.214 4.534 4.320 -0.000 0.000 0.355 191 K C -1.764 174.889 176.600 0.089 0.000 1.434 191 K CA -0.141 56.185 56.287 0.065 0.000 1.207 191 K CB -0.260 32.263 32.500 0.039 0.000 1.428 191 K HN 0.131 nan 8.250 nan 0.000 0.457 192 T N -0.628 113.992 114.554 0.110 0.000 2.868 192 T HA 0.355 4.705 4.350 -0.000 0.000 0.306 192 T C -0.277 174.498 174.700 0.124 0.000 1.224 192 T CA -0.930 61.255 62.100 0.141 0.000 1.012 192 T CB 1.541 70.560 68.868 0.251 0.000 1.221 192 T HN 0.280 nan 8.240 nan 0.000 0.499 193 D N -0.479 119.999 120.400 0.129 0.000 2.340 193 D HA 0.087 4.727 4.640 -0.000 0.000 0.217 193 D C 0.733 177.112 176.300 0.133 0.000 1.081 193 D CA 0.122 54.181 54.000 0.098 0.000 0.842 193 D CB 0.183 41.025 40.800 0.070 0.000 0.934 193 D HN 0.538 nan 8.370 nan 0.000 0.511 194 Y N 0.902 121.237 120.300 0.058 0.000 2.373 194 Y HA 0.021 4.571 4.550 0.000 0.000 0.293 194 Y C 0.525 176.453 175.900 0.046 0.000 1.129 194 Y CA 0.711 58.853 58.100 0.070 0.000 1.226 194 Y CB 0.251 38.786 38.460 0.124 0.000 1.000 194 Y HN -0.182 nan 8.280 nan 0.000 0.549 195 I N -0.210 120.407 120.570 0.079 0.000 2.562 195 I HA 0.268 4.438 4.170 -0.000 0.000 0.301 195 I C -0.153 175.958 176.117 -0.009 0.000 1.003 195 I CA -0.514 60.782 61.300 -0.007 0.000 1.127 195 I CB 1.904 39.914 38.000 0.016 0.000 1.304 195 I HN -0.021 nan 8.210 nan 0.000 0.446 196 T N 5.924 120.458 114.554 -0.032 0.000 2.848 196 T HA 0.612 4.962 4.350 -0.000 0.000 0.285 196 T C -0.655 174.031 174.700 -0.024 0.000 0.995 196 T CA -0.686 61.399 62.100 -0.024 0.000 0.970 196 T CB 0.591 69.438 68.868 -0.034 0.000 0.976 196 T HN 0.224 nan 8.240 nan 0.000 0.441 197 I N 3.711 124.271 120.570 -0.017 0.000 2.396 197 I HA 0.419 4.589 4.170 -0.000 0.000 0.292 197 I C 0.430 176.535 176.117 -0.019 0.000 0.999 197 I CA -0.585 60.705 61.300 -0.017 0.000 1.310 197 I CB 1.502 39.495 38.000 -0.012 0.000 1.404 197 I HN 0.765 nan 8.210 nan 0.000 0.496 198 K N 5.338 125.725 120.400 -0.022 0.000 2.521 198 K HA 0.235 4.555 4.320 -0.000 0.000 0.248 198 K C -0.496 176.092 176.600 -0.020 0.000 0.978 198 K CA -0.504 55.770 56.287 -0.022 0.000 0.947 198 K CB 0.654 33.138 32.500 -0.028 0.000 1.165 198 K HN 0.443 nan 8.250 nan 0.000 0.445 199 N N 3.123 121.814 118.700 -0.016 0.000 2.414 199 N HA 0.107 4.847 4.740 -0.000 0.000 0.256 199 N C -1.075 174.427 175.510 -0.013 0.000 1.029 199 N CA 0.117 53.159 53.050 -0.013 0.000 0.948 199 N CB 1.069 39.550 38.487 -0.010 0.000 1.102 199 N HN 0.570 nan 8.380 nan 0.000 0.496 200 D N 1.297 121.689 120.400 -0.013 0.000 2.692 200 D HA 0.154 4.794 4.640 -0.000 0.000 0.290 200 D C -0.219 176.075 176.300 -0.009 0.000 1.455 200 D CA -0.212 53.781 54.000 -0.012 0.000 0.796 200 D CB 0.505 41.297 40.800 -0.014 0.000 1.131 200 D HN 0.454 nan 8.370 nan 0.000 0.467 201 A N 0.885 123.700 122.820 -0.007 0.000 2.302 201 A HA 0.497 4.817 4.320 -0.000 0.000 0.285 201 A C 0.349 177.931 177.584 -0.003 0.000 1.105 201 A CA -0.325 51.709 52.037 -0.005 0.000 0.816 201 A CB 1.054 20.052 19.000 -0.003 0.000 1.067 201 A HN -0.167 nan 8.150 nan 0.000 0.489 202 K N 1.710 122.110 120.400 -0.001 0.000 2.235 202 K HA 0.363 4.683 4.320 -0.000 0.000 0.266 202 K C -0.813 175.788 176.600 0.002 0.000 0.980 202 K CA -0.255 56.032 56.287 0.000 0.000 0.849 202 K CB 1.364 33.864 32.500 0.000 0.000 1.098 202 K HN 0.604 nan 8.250 nan 0.000 0.445 203 T N 2.746 117.301 114.554 0.002 0.000 3.414 203 T HA 0.109 4.459 4.350 -0.000 0.000 0.304 203 T C 0.461 175.163 174.700 0.003 0.000 1.241 203 T CA -0.320 61.782 62.100 0.003 0.000 1.076 203 T CB -0.368 68.501 68.868 0.002 0.000 1.134 203 T HN 0.412 nan 8.240 nan 0.000 0.759 204 T N 2.028 116.584 114.554 0.004 0.000 2.640 204 T HA 0.473 4.823 4.350 -0.000 0.000 0.316 204 T C 0.867 175.569 174.700 0.004 0.000 1.036 204 T CA -0.844 61.259 62.100 0.004 0.000 1.009 204 T CB 0.446 69.317 68.868 0.005 0.000 1.017 204 T HN 0.630 nan 8.240 nan 0.000 0.530 205 A N 0.106 122.928 122.820 0.004 0.000 2.269 205 A HA 0.756 5.076 4.320 -0.000 0.000 0.319 205 A C 0.656 178.243 177.584 0.005 0.000 1.110 205 A CA -0.547 51.493 52.037 0.004 0.000 0.847 205 A CB -0.034 18.968 19.000 0.004 0.000 1.161 205 A HN 1.172 nan 8.150 nan 0.000 0.497 206 A N -0.573 122.250 122.820 0.005 0.000 2.567 206 A HA 0.440 4.760 4.320 -0.000 0.000 0.236 206 A C 1.733 179.320 177.584 0.006 0.000 1.088 206 A CA 1.250 53.291 52.037 0.006 0.000 0.776 206 A CB -0.807 18.196 19.000 0.005 0.000 1.033 206 A HN 2.809 nan 8.150 nan 0.000 0.513 207 G N -0.562 108.241 108.800 0.006 0.000 3.329 207 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 207 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 207 G C 0.870 175.774 174.900 0.007 0.000 1.358 207 G CA 0.999 46.102 45.100 0.006 0.000 0.856 207 G HN 2.289 nan 8.290 nan 0.000 0.551 208 S N 2.342 118.046 115.700 0.007 0.000 2.593 208 S HA 0.550 5.020 4.470 -0.000 0.000 0.269 208 S C 0.570 175.175 174.600 0.009 0.000 1.334 208 S CA 0.544 58.748 58.200 0.007 0.000 1.015 208 S CB 1.768 64.972 63.200 0.006 0.000 0.912 208 S HN 1.136 nan 8.310 nan 0.000 0.541 209 E N 1.442 121.647 120.200 0.010 0.000 3.099 209 E HA 0.386 4.736 4.350 -0.000 0.000 0.259 209 E C -0.863 175.745 176.600 0.012 0.000 1.274 209 E CA -0.832 55.575 56.400 0.012 0.000 1.111 209 E CB 0.327 30.035 29.700 0.013 0.000 1.327 209 E HN 0.664 nan 8.360 nan 0.000 0.652 210 K N 0.070 120.479 120.400 0.015 0.000 2.183 210 K HA 0.241 4.561 4.320 -0.000 0.000 0.274 210 K C -0.378 176.231 176.600 0.016 0.000 1.009 210 K CA -0.388 55.908 56.287 0.016 0.000 0.888 210 K CB 1.007 33.520 32.500 0.021 0.000 1.078 210 K HN 0.360 nan 8.250 nan 0.000 0.459 211 D N 2.329 122.737 120.400 0.012 0.000 2.402 211 D HA 0.025 4.665 4.640 -0.000 0.000 0.216 211 D C -0.188 176.118 176.300 0.010 0.000 1.128 211 D CA -0.113 53.893 54.000 0.011 0.000 0.833 211 D CB 0.424 41.229 40.800 0.007 0.000 0.971 211 D HN 0.213 nan 8.370 nan 0.000 0.503 212 L N 2.202 123.433 121.223 0.014 0.000 2.513 212 L HA 0.072 4.412 4.340 -0.000 0.000 0.272 212 L C 0.340 177.219 176.870 0.015 0.000 1.187 212 L CA 0.751 55.599 54.840 0.014 0.000 0.895 212 L CB 0.418 42.489 42.059 0.020 0.000 1.147 212 L HN -0.042 nan 8.230 nan 0.000 0.483 213 T N 3.551 118.107 114.554 0.003 0.000 2.921 213 T HA 0.674 5.024 4.350 -0.000 0.000 0.297 213 T C -0.435 174.250 174.700 -0.024 0.000 1.013 213 T CA -0.633 61.462 62.100 -0.008 0.000 0.990 213 T CB 0.871 69.722 68.868 -0.028 0.000 1.023 213 T HN 0.364 nan 8.240 nan 0.000 0.447 214 I N 2.413 122.971 120.570 -0.019 0.000 2.389 214 I HA 0.611 4.781 4.170 -0.000 0.000 0.288 214 I C -0.078 175.971 176.117 -0.113 0.000 0.999 214 I CA -0.612 60.673 61.300 -0.025 0.000 1.129 214 I CB 1.809 39.834 38.000 0.041 0.000 1.288 214 I HN 0.800 nan 8.210 nan 0.000 0.444 215 E N 6.221 126.312 120.200 -0.181 0.000 2.433 215 E HA 0.473 4.823 4.350 -0.000 0.000 0.278 215 E C -1.443 175.046 176.600 -0.184 0.000 0.976 215 E CA -0.953 55.207 56.400 -0.401 0.000 0.793 215 E CB 2.863 32.234 29.700 -0.549 0.000 1.311 215 E HN 0.478 nan 8.360 nan 0.000 0.460 216 R N 2.153 122.575 120.500 -0.129 0.000 2.387 216 R HA 0.193 4.533 4.340 -0.000 0.000 0.314 216 R C -0.781 175.532 176.300 0.022 0.000 0.958 216 R CA -0.602 55.508 56.100 0.016 0.000 0.846 216 R CB 1.118 31.499 30.300 0.135 0.000 1.147 216 R HN 0.506 nan 8.270 nan 0.000 0.447 217 E N 2.473 122.672 120.200 -0.002 0.000 2.452 217 E HA -0.110 4.240 4.350 -0.000 0.000 0.261 217 E C -0.322 176.316 176.600 0.062 0.000 0.987 217 E CA 0.366 56.775 56.400 0.014 0.000 0.926 217 E CB 0.331 30.007 29.700 -0.041 0.000 0.934 217 E HN 0.553 nan 8.360 nan 0.000 0.452 218 H N 0.921 119.998 119.070 0.011 0.000 3.187 218 H HA -0.009 4.547 4.556 -0.000 0.000 0.286 218 H C 1.212 176.400 175.328 -0.233 0.000 0.944 218 H CA 0.667 56.727 56.048 0.020 0.000 1.429 218 H CB 0.075 29.904 29.762 0.111 0.000 1.483 218 H HN 0.791 nan 8.280 nan 0.000 0.555 219 G N 3.609 112.136 108.800 -0.454 0.000 2.159 219 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.256 219 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.256 219 G C 0.359 174.402 174.900 -1.428 0.000 0.977 219 G CA 0.676 44.945 45.100 -1.384 0.000 0.652 219 G HN 0.956 nan 8.290 nan 0.000 0.531 220 T N -3.579 110.528 114.554 -0.744 0.000 2.831 220 T HA 0.617 4.967 4.350 -0.000 0.000 0.287 220 T C 0.226 174.795 174.700 -0.218 0.000 1.070 220 T CA -0.029 61.768 62.100 -0.504 0.000 1.010 220 T CB 1.628 70.323 68.868 -0.289 0.000 1.264 220 T HN 0.034 nan 8.240 nan 0.000 0.532 221 N N 0.447 119.057 118.700 -0.150 0.000 2.328 221 N HA 0.234 4.974 4.740 -0.000 0.000 0.247 221 N C -0.492 174.971 175.510 -0.078 0.000 1.165 221 N CA -0.352 52.651 53.050 -0.079 0.000 0.873 221 N CB 0.553 38.939 38.487 -0.170 0.000 1.125 221 N HN 0.809 nan 8.380 nan 0.000 0.513 222 T N -0.972 113.536 114.554 -0.077 0.000 2.733 222 T HA 0.458 4.808 4.350 -0.000 0.000 0.294 222 T C -0.038 174.638 174.700 -0.040 0.000 0.956 222 T CA -0.544 61.521 62.100 -0.060 0.000 0.987 222 T CB 0.754 69.582 68.868 -0.067 0.000 0.920 222 T HN -0.002 nan 8.240 nan 0.000 0.470 223 I N 4.707 125.259 120.570 -0.030 0.000 2.312 223 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 223 I C 0.854 176.952 176.117 -0.032 0.000 1.008 223 I CA -0.736 60.550 61.300 -0.023 0.000 1.226 223 I CB 1.325 39.321 38.000 -0.008 0.000 1.371 223 I HN 0.791 nan 8.210 nan 0.000 0.468 224 T N 4.043 118.570 114.554 -0.045 0.000 2.837 224 T HA 0.612 4.962 4.350 -0.000 0.000 0.285 224 T C -0.464 174.211 174.700 -0.043 0.000 0.984 224 T CA -0.651 61.424 62.100 -0.043 0.000 1.049 224 T CB 2.079 70.918 68.868 -0.048 0.000 0.947 224 T HN 0.343 nan 8.240 nan 0.000 0.472 225 I N 2.400 122.952 120.570 -0.030 0.000 2.411 225 I HA 0.492 4.662 4.170 -0.000 0.000 0.284 225 I C -0.598 175.507 176.117 -0.020 0.000 1.012 225 I CA -0.845 60.441 61.300 -0.023 0.000 1.119 225 I CB 1.003 38.995 38.000 -0.013 0.000 1.261 225 I HN 0.939 nan 8.210 nan 0.000 0.448 226 E N 5.429 125.616 120.200 -0.021 0.000 2.410 226 E HA 0.924 5.274 4.350 -0.000 0.000 0.269 226 E C -0.170 176.424 176.600 -0.010 0.000 0.937 226 E CA -1.065 55.325 56.400 -0.016 0.000 0.793 226 E CB 1.770 31.457 29.700 -0.021 0.000 1.314 226 E HN 0.916 nan 8.360 nan 0.000 0.447 227 G N 0.168 108.964 108.800 -0.007 0.000 2.396 227 G HA2 0.020 3.980 3.960 -0.000 0.000 0.254 227 G HA3 0.020 3.980 3.960 -0.000 0.000 0.254 227 G C -0.992 173.908 174.900 0.001 0.000 1.248 227 G CA -0.355 44.744 45.100 -0.002 0.000 1.033 227 G HN 0.611 nan 8.290 nan 0.000 0.502 228 S N -1.470 114.233 115.700 0.004 0.000 2.536 228 S HA 0.745 5.215 4.470 -0.000 0.000 0.287 228 S C -0.862 173.743 174.600 0.008 0.000 1.101 228 S CA 0.017 58.220 58.200 0.005 0.000 0.950 228 S CB 2.010 65.212 63.200 0.005 0.000 1.056 228 S HN 1.848 nan 8.310 nan 0.000 0.481 229 V N 4.716 124.635 119.914 0.008 0.000 2.482 229 V HA 0.578 4.698 4.120 -0.000 0.000 0.295 229 V C -2.594 173.505 176.094 0.009 0.000 1.026 229 V CA -2.383 59.923 62.300 0.010 0.000 0.856 229 V CB 1.995 33.824 31.823 0.011 0.000 1.001 229 V HN 0.692 nan 8.190 nan 0.000 0.424 230 P HA 0.074 nan 4.420 nan 0.000 0.269 230 P C 1.179 178.484 177.300 0.008 0.000 1.215 230 P CA 0.305 63.410 63.100 0.008 0.000 0.780 230 P CB 1.412 33.117 31.700 0.009 0.000 0.898 231 V N -1.341 118.577 119.914 0.007 0.000 2.594 231 V HA -0.098 4.022 4.120 -0.000 0.000 0.253 231 V C 1.180 177.279 176.094 0.007 0.000 1.069 231 V CA 1.641 63.944 62.300 0.007 0.000 1.082 231 V CB -1.228 30.598 31.823 0.005 0.000 0.680 231 V HN 0.479 nan 8.190 nan 0.000 0.469 232 D N 1.728 122.132 120.400 0.008 0.000 2.741 232 D HA 0.571 5.211 4.640 -0.000 0.000 0.233 232 D C -0.055 176.251 176.300 0.010 0.000 1.160 232 D CA 0.642 54.647 54.000 0.008 0.000 1.003 232 D CB 0.373 41.177 40.800 0.008 0.000 1.064 232 D HN 0.654 nan 8.370 nan 0.000 0.503 233 A N 2.434 125.261 122.820 0.011 0.000 2.574 233 A HA 0.419 4.739 4.320 -0.000 0.000 0.297 233 A C -0.469 177.124 177.584 0.016 0.000 1.062 233 A CA -0.883 51.163 52.037 0.014 0.000 0.686 233 A CB 1.019 20.028 19.000 0.015 0.000 1.285 233 A HN 0.399 nan 8.150 nan 0.000 0.403 234 N N 1.082 119.793 118.700 0.019 0.000 2.525 234 N HA 0.235 4.975 4.740 -0.000 0.000 0.271 234 N C -0.486 175.038 175.510 0.024 0.000 1.194 234 N CA -0.350 52.712 53.050 0.021 0.000 0.964 234 N CB 0.732 39.233 38.487 0.024 0.000 1.126 234 N HN 0.565 nan 8.380 nan 0.000 0.452 235 K N 0.867 121.281 120.400 0.023 0.000 2.469 235 K HA 0.016 4.336 4.320 -0.000 0.000 0.274 235 K C 0.073 176.694 176.600 0.035 0.000 0.983 235 K CA 0.272 56.573 56.287 0.024 0.000 0.974 235 K CB 0.116 32.628 32.500 0.020 0.000 0.913 235 K HN 0.536 nan 8.250 nan 0.000 0.493 236 T N 0.029 114.605 114.554 0.037 0.000 2.792 236 T HA 0.405 4.755 4.350 -0.000 0.000 0.280 236 T C -0.582 174.153 174.700 0.057 0.000 0.990 236 T CA -1.169 60.964 62.100 0.055 0.000 0.960 236 T CB 1.164 70.065 68.868 0.054 0.000 0.939 236 T HN 0.358 nan 8.240 nan 0.000 0.439 237 K N 2.658 123.115 120.400 0.094 0.000 2.345 237 K HA 0.524 4.844 4.320 -0.000 0.000 0.255 237 K C -0.679 176.047 176.600 0.210 0.000 0.934 237 K CA -0.808 55.531 56.287 0.086 0.000 0.801 237 K CB 2.313 34.854 32.500 0.068 0.000 1.137 237 K HN 0.684 nan 8.250 nan 0.000 0.424 238 E N 2.017 122.315 120.200 0.165 0.000 2.292 238 E HA 0.232 4.582 4.350 -0.000 0.000 0.272 238 E C -0.973 175.815 176.600 0.313 0.000 0.881 238 E CA -0.720 55.885 56.400 0.343 0.000 0.754 238 E CB 2.032 31.888 29.700 0.260 0.000 1.201 238 E HN 0.392 nan 8.360 nan 0.000 0.425 239 W N 3.295 124.645 121.300 0.085 0.000 2.358 239 W HA 0.277 4.937 4.660 -0.000 0.000 0.307 239 W C -0.535 176.093 176.519 0.182 0.000 1.203 239 W CA -0.366 57.038 57.345 0.097 0.000 1.279 239 W CB 0.631 30.098 29.460 0.011 0.000 1.264 239 W HN 0.289 nan 8.180 nan 0.000 0.474 240 I N 2.976 123.701 120.570 0.260 0.000 2.404 240 I HA 0.081 4.251 4.170 -0.000 0.000 0.293 240 I C 0.770 176.983 176.117 0.160 0.000 0.992 240 I CA -0.634 60.800 61.300 0.222 0.000 1.149 240 I CB 1.606 39.708 38.000 0.169 0.000 1.315 240 I HN 0.229 nan 8.210 nan 0.000 0.446 241 S N 5.443 121.232 115.700 0.149 0.000 2.589 241 S HA 0.548 5.018 4.470 -0.000 0.000 0.265 241 S C -0.194 174.467 174.600 0.101 0.000 1.342 241 S CA -0.590 57.681 58.200 0.117 0.000 1.005 241 S CB 0.852 64.108 63.200 0.093 0.000 0.909 241 S HN 0.336 nan 8.310 nan 0.000 0.555 242 V N 2.535 122.498 119.914 0.080 0.000 2.495 242 V HA 0.320 4.440 4.120 -0.000 0.000 0.298 242 V C -0.190 176.040 176.094 0.227 0.000 1.031 242 V CA -0.905 61.449 62.300 0.090 0.000 0.871 242 V CB 1.579 33.329 31.823 -0.121 0.000 0.988 242 V HN 0.986 nan 8.190 nan 0.000 0.432 243 W N 4.707 126.059 121.300 0.087 0.000 2.303 243 W HA 0.224 4.884 4.660 -0.000 0.000 0.318 243 W C 0.431 177.062 176.519 0.186 0.000 1.362 243 W CA 0.004 57.413 57.345 0.107 0.000 1.234 243 W CB 0.362 29.854 29.460 0.052 0.000 1.248 243 W HN 0.894 nan 8.180 nan 0.000 0.546 244 E N 4.640 124.679 120.200 -0.267 0.000 2.302 244 E HA -0.223 4.127 4.350 -0.000 0.000 0.186 244 E C -1.758 174.930 176.600 0.147 0.000 1.444 244 E CA 0.103 56.438 56.400 -0.109 0.000 0.671 244 E CB -0.777 28.894 29.700 -0.048 0.000 1.122 244 E HN 0.369 nan 8.360 nan 0.000 0.366 245 P HA -0.263 nan 4.420 nan 0.000 0.221 245 P C 1.261 178.622 177.300 0.102 0.000 1.145 245 P CA 1.726 64.941 63.100 0.192 0.000 0.795 245 P CB 0.207 32.023 31.700 0.193 0.000 0.775 246 A N 0.715 123.563 122.820 0.047 0.000 1.902 246 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 246 A C 2.610 180.148 177.584 -0.077 0.000 1.181 246 A CA 2.011 54.046 52.037 -0.003 0.000 0.623 246 A CB -1.857 17.153 19.000 0.017 0.000 0.818 246 A HN 0.319 nan 8.150 nan 0.000 0.443 247 G N -2.167 106.583 108.800 -0.083 0.000 2.448 247 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 247 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 247 G C 1.488 175.927 174.900 -0.767 0.000 1.135 247 G CA 1.001 45.950 45.100 -0.253 0.000 0.784 247 G HN 0.669 nan 8.290 nan 0.000 0.543 248 Y N 1.566 121.271 120.300 -0.991 0.000 2.133 248 Y HA -0.006 4.544 4.550 -0.000 0.000 0.287 248 Y C 2.952 178.576 175.900 -0.460 0.000 1.134 248 Y CA 1.365 58.964 58.100 -0.836 0.000 1.133 248 Y CB -0.072 38.195 38.460 -0.322 0.000 0.987 248 Y HN 0.249 nan 8.280 nan 0.000 0.502 249 A N 0.544 123.097 122.820 -0.445 0.000 1.883 249 A HA -0.236 4.083 4.320 -0.000 0.000 0.217 249 A C 2.107 179.315 177.584 -0.627 0.000 1.186 249 A CA 1.799 53.474 52.037 -0.603 0.000 0.624 249 A CB -1.222 17.609 19.000 -0.282 0.000 0.822 249 A HN 0.571 nan 8.150 nan 0.000 0.444 250 L N 0.269 121.279 121.223 -0.355 0.000 2.046 250 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 250 L C 1.999 178.750 176.870 -0.199 0.000 1.077 250 L CA 2.703 57.420 54.840 -0.204 0.000 0.747 250 L CB -0.714 41.285 42.059 -0.099 0.000 0.896 250 L HN 0.543 nan 8.230 nan 0.000 0.432 251 D N -1.456 118.795 120.400 -0.248 0.000 2.144 251 D HA -0.210 4.430 4.640 -0.000 0.000 0.199 251 D C 2.084 178.267 176.300 -0.195 0.000 0.984 251 D CA 0.914 54.815 54.000 -0.164 0.000 0.834 251 D CB 0.046 40.783 40.800 -0.106 0.000 0.955 251 D HN 0.180 nan 8.370 nan 0.000 0.465 252 L N -0.151 120.865 121.223 -0.346 0.000 2.083 252 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 252 L C 1.963 178.660 176.870 -0.289 0.000 1.083 252 L CA 1.245 55.871 54.840 -0.357 0.000 0.752 252 L CB -1.192 40.504 42.059 -0.604 0.000 0.899 252 L HN 0.185 nan 8.230 nan 0.000 0.433 253 F N 0.651 120.238 119.950 -0.605 0.000 2.206 253 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 253 F C 2.515 178.220 175.800 -0.158 0.000 1.090 253 F CA 1.586 59.385 58.000 -0.335 0.000 1.323 253 F CB -0.329 38.481 39.000 -0.316 0.000 1.028 253 F HN 0.076 nan 8.300 nan 0.000 0.492 254 K N 0.203 120.488 120.400 -0.191 0.000 2.063 254 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 254 K C 1.980 178.463 176.600 -0.196 0.000 1.048 254 K CA 1.949 58.103 56.287 -0.222 0.000 0.928 254 K CB -0.288 32.142 32.500 -0.117 0.000 0.713 254 K HN 0.421 nan 8.250 nan 0.000 0.442 255 Q N -0.061 119.657 119.800 -0.136 0.000 2.119 255 Q HA -0.078 4.262 4.340 -0.000 0.000 0.201 255 Q C 2.219 178.164 176.000 -0.091 0.000 0.972 255 Q CA 1.497 57.246 55.803 -0.090 0.000 0.847 255 Q CB 0.090 28.796 28.738 -0.054 0.000 0.903 255 Q HN 0.282 nan 8.270 nan 0.000 0.433 256 S N 1.100 116.741 115.700 -0.098 0.000 2.368 256 S HA -0.094 4.376 4.470 -0.000 0.000 0.225 256 S C 1.985 176.503 174.600 -0.136 0.000 1.030 256 S CA 0.857 59.021 58.200 -0.059 0.000 0.999 256 S CB -0.208 63.025 63.200 0.056 0.000 0.844 256 S HN 0.267 nan 8.310 nan 0.000 0.459 257 L N 1.508 122.558 121.223 -0.290 0.000 2.012 257 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 257 L C 2.729 179.504 176.870 -0.158 0.000 1.073 257 L CA 1.325 55.992 54.840 -0.288 0.000 0.748 257 L CB -0.526 41.276 42.059 -0.429 0.000 0.891 257 L HN 0.258 nan 8.230 nan 0.000 0.431 258 K N 1.042 121.360 120.400 -0.136 0.000 2.063 258 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 258 K C 2.033 178.598 176.600 -0.058 0.000 1.048 258 K CA 1.579 57.815 56.287 -0.085 0.000 0.928 258 K CB -0.014 32.443 32.500 -0.072 0.000 0.713 258 K HN 0.294 nan 8.250 nan 0.000 0.442 259 K N 0.152 120.521 120.400 -0.052 0.000 2.152 259 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 259 K C 1.847 178.433 176.600 -0.023 0.000 1.048 259 K CA 1.112 57.382 56.287 -0.028 0.000 0.933 259 K CB 0.041 32.531 32.500 -0.017 0.000 0.721 259 K HN 0.164 nan 8.250 nan 0.000 0.447 260 Q N -0.507 119.274 119.800 -0.032 0.000 2.365 260 Q HA 0.065 4.405 4.340 -0.000 0.000 0.203 260 Q C 0.804 176.789 176.000 -0.025 0.000 0.929 260 Q CA 0.617 56.410 55.803 -0.018 0.000 0.948 260 Q CB 0.976 29.707 28.738 -0.012 0.000 1.043 260 Q HN 0.547 nan 8.270 nan 0.000 0.505 261 G N 1.326 110.105 108.800 -0.034 0.000 2.143 261 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.248 261 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.248 261 G C 0.151 175.025 174.900 -0.042 0.000 0.991 261 G CA -0.015 45.065 45.100 -0.034 0.000 0.689 261 G HN 0.367 nan 8.290 nan 0.000 0.522 262 I N 2.324 122.858 120.570 -0.059 0.000 2.304 262 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 262 I C 0.974 177.043 176.117 -0.081 0.000 1.018 262 I CA -0.137 61.121 61.300 -0.070 0.000 1.260 262 I CB 1.321 39.267 38.000 -0.090 0.000 1.390 262 I HN 0.253 nan 8.210 nan 0.000 0.475 263 T N 3.142 117.658 114.554 -0.063 0.000 2.943 263 T HA 0.664 5.014 4.350 -0.000 0.000 0.284 263 T C -0.346 174.317 174.700 -0.062 0.000 1.015 263 T CA -0.774 61.289 62.100 -0.061 0.000 1.042 263 T CB 2.137 70.980 68.868 -0.043 0.000 1.055 263 T HN 0.177 nan 8.240 nan 0.000 0.500 264 V N 3.485 123.363 119.914 -0.061 0.000 2.409 264 V HA 0.330 4.450 4.120 -0.000 0.000 0.291 264 V C 0.747 176.817 176.094 -0.040 0.000 1.020 264 V CA -0.897 61.369 62.300 -0.056 0.000 0.848 264 V CB 1.452 33.236 31.823 -0.064 0.000 0.990 264 V HN 0.845 nan 8.190 nan 0.000 0.430 265 K N 3.148 123.527 120.400 -0.035 0.000 2.076 265 K HA 0.116 4.436 4.320 -0.000 0.000 0.204 265 K C 1.404 177.990 176.600 -0.023 0.000 1.051 265 K CA 1.045 57.317 56.287 -0.026 0.000 0.949 265 K CB -0.246 32.241 32.500 -0.022 0.000 0.726 265 K HN 0.727 nan 8.250 nan 0.000 0.443 266 G N 2.120 110.904 108.800 -0.028 0.000 2.529 266 G HA2 0.043 4.003 3.960 -0.000 0.000 0.234 266 G HA3 0.043 4.003 3.960 -0.000 0.000 0.234 266 G C -0.243 174.644 174.900 -0.022 0.000 1.527 266 G CA -0.297 44.788 45.100 -0.025 0.000 1.062 266 G HN 0.115 nan 8.290 nan 0.000 0.558 267 D N -0.866 119.522 120.400 -0.020 0.000 2.384 267 D HA 0.365 5.005 4.640 -0.000 0.000 0.250 267 D C -0.411 175.879 176.300 -0.016 0.000 1.029 267 D CA -0.338 53.655 54.000 -0.011 0.000 0.990 267 D CB 2.522 43.322 40.800 0.000 0.000 1.175 267 D HN 0.330 nan 8.370 nan 0.000 0.532 268 I N -0.039 120.530 120.570 -0.002 0.000 2.354 268 I HA 0.315 4.485 4.170 -0.000 0.000 0.286 268 I C -0.675 175.455 176.117 0.021 0.000 1.007 268 I CA -0.365 60.935 61.300 0.000 0.000 1.167 268 I CB 0.286 38.287 38.000 0.002 0.000 1.320 268 I HN 0.394 nan 8.210 nan 0.000 0.458 269 K N 3.891 124.302 120.400 0.018 0.000 2.367 269 K HA 0.580 4.899 4.320 -0.000 0.000 0.272 269 K C -1.073 175.555 176.600 0.046 0.000 1.046 269 K CA -0.891 55.419 56.287 0.039 0.000 0.895 269 K CB 1.309 33.831 32.500 0.037 0.000 1.512 269 K HN 0.316 nan 8.250 nan 0.000 0.433 270 T N -0.211 114.379 114.554 0.061 0.000 2.909 270 T HA 0.631 4.981 4.350 -0.000 0.000 0.289 270 T C 0.032 174.782 174.700 0.083 0.000 1.005 270 T CA 0.195 62.337 62.100 0.070 0.000 1.084 270 T CB 1.280 70.191 68.868 0.072 0.000 0.975 270 T HN 0.788 nan 8.240 nan 0.000 0.509 271 G N 0.773 109.638 108.800 0.108 0.000 2.500 271 G HA2 0.542 4.502 3.960 -0.000 0.000 0.299 271 G HA3 0.542 4.502 3.960 -0.000 0.000 0.299 271 G C -1.940 173.051 174.900 0.151 0.000 1.242 271 G CA -0.648 44.536 45.100 0.139 0.000 0.859 271 G HN 0.693 nan 8.290 nan 0.000 0.481 272 E N -0.619 119.683 120.200 0.169 0.000 2.278 272 E HA 0.579 4.929 4.350 -0.000 0.000 0.272 272 E C -0.356 176.194 176.600 -0.084 0.000 0.890 272 E CA -0.848 55.594 56.400 0.069 0.000 0.770 272 E CB 1.898 31.623 29.700 0.041 0.000 1.212 272 E HN 0.885 nan 8.360 nan 0.000 0.415 273 A N 5.261 127.895 122.820 -0.310 0.000 2.454 273 A HA 0.418 4.738 4.320 -0.000 0.000 0.260 273 A C -2.298 175.028 177.584 -0.429 0.000 1.106 273 A CA -1.039 50.491 52.037 -0.845 0.000 0.780 273 A CB -0.109 18.482 19.000 -0.682 0.000 1.044 273 A HN 0.422 nan 8.150 nan 0.000 0.498 274 P HA 0.057 nan 4.420 nan 0.000 0.269 274 P C 1.054 178.272 177.300 -0.137 0.000 1.215 274 P CA 0.259 63.258 63.100 -0.169 0.000 0.780 274 P CB 0.725 32.361 31.700 -0.107 0.000 0.898 275 S N 0.166 115.823 115.700 -0.071 0.000 2.442 275 S HA -0.160 4.310 4.470 -0.000 0.000 0.236 275 S C 1.708 176.284 174.600 -0.040 0.000 1.007 275 S CA 1.353 59.526 58.200 -0.045 0.000 0.965 275 S CB -1.247 61.942 63.200 -0.018 0.000 0.773 275 S HN 0.542 nan 8.310 nan 0.000 0.504 276 S N 2.059 117.736 115.700 -0.038 0.000 2.461 276 S HA 0.047 4.517 4.470 -0.000 0.000 0.228 276 S C 1.056 175.643 174.600 -0.022 0.000 1.005 276 S CA 0.193 58.380 58.200 -0.021 0.000 0.942 276 S CB -1.000 62.195 63.200 -0.008 0.000 0.776 276 S HN 0.736 nan 8.310 nan 0.000 0.514 277 S N 2.040 117.711 115.700 -0.048 0.000 2.558 277 S HA 0.134 4.604 4.470 -0.000 0.000 0.291 277 S C -0.513 174.080 174.600 -0.011 0.000 1.306 277 S CA -0.552 57.630 58.200 -0.030 0.000 1.056 277 S CB 0.024 63.161 63.200 -0.105 0.000 0.836 277 S HN 0.308 nan 8.310 nan 0.000 0.504 278 D N 1.576 121.987 120.400 0.020 0.000 2.350 278 D HA 0.253 4.893 4.640 -0.000 0.000 0.249 278 D C -0.250 176.063 176.300 0.020 0.000 1.119 278 D CA -0.287 53.725 54.000 0.019 0.000 0.886 278 D CB 1.153 41.971 40.800 0.030 0.000 1.195 278 D HN 0.399 nan 8.370 nan 0.000 0.437 279 V N 4.064 123.981 119.914 0.005 0.000 2.389 279 V HA -0.017 4.103 4.120 -0.000 0.000 0.264 279 V C 1.252 177.352 176.094 0.011 0.000 1.049 279 V CA -0.343 61.956 62.300 -0.001 0.000 0.932 279 V CB 1.160 32.969 31.823 -0.023 0.000 1.011 279 V HN 0.405 nan 8.190 nan 0.000 0.475 280 L N 5.944 127.184 121.223 0.027 0.000 2.209 280 L HA 0.253 4.593 4.340 -0.000 0.000 0.207 280 L C 0.296 177.180 176.870 0.023 0.000 1.094 280 L CA 1.334 56.195 54.840 0.035 0.000 0.790 280 L CB -0.285 41.809 42.059 0.059 0.000 0.932 280 L HN 0.737 nan 8.230 nan 0.000 0.447 281 L N -4.429 116.801 121.223 0.012 0.000 2.545 281 L HA 0.636 4.976 4.340 -0.000 0.000 0.258 281 L C -0.712 176.145 176.870 -0.022 0.000 0.942 281 L CA -0.627 54.213 54.840 0.000 0.000 0.855 281 L CB 1.813 43.880 42.059 0.013 0.000 1.374 281 L HN -0.284 nan 8.230 nan 0.000 0.411 282 S N 0.842 116.524 115.700 -0.031 0.000 2.659 282 S HA 0.647 5.117 4.470 -0.000 0.000 0.312 282 S C -1.281 173.297 174.600 -0.037 0.000 1.114 282 S CA -0.306 57.859 58.200 -0.058 0.000 1.063 282 S CB 0.179 63.328 63.200 -0.085 0.000 0.996 282 S HN 1.052 nan 8.310 nan 0.000 0.478 283 H N 3.620 122.605 119.070 -0.142 0.000 2.457 283 H HA 0.656 5.212 4.556 -0.000 0.000 0.335 283 H C -0.279 174.952 175.328 -0.160 0.000 1.115 283 H CA -0.501 55.459 56.048 -0.146 0.000 1.219 283 H CB 0.777 30.440 29.762 -0.166 0.000 1.471 283 H HN 0.584 nan 8.280 nan 0.000 0.491 284 R N 2.415 122.427 120.500 -0.813 0.000 2.589 284 R HA 0.377 4.717 4.340 -0.000 0.000 0.293 284 R C -0.206 175.673 176.300 -0.702 0.000 0.963 284 R CA -0.862 54.874 56.100 -0.607 0.000 0.905 284 R CB 1.744 31.815 30.300 -0.382 0.000 1.144 284 R HN 0.854 nan 8.270 nan 0.000 0.459 285 S N 2.706 118.178 115.700 -0.380 0.000 2.661 285 S HA 0.323 4.793 4.470 -0.000 0.000 0.265 285 S C 0.665 175.156 174.600 -0.181 0.000 1.225 285 S CA -0.942 57.120 58.200 -0.230 0.000 0.986 285 S CB 0.503 63.662 63.200 -0.069 0.000 1.008 285 S HN 0.612 nan 8.310 nan 0.000 0.565 286 M N -0.757 118.769 119.600 -0.124 0.000 2.232 286 M HA 0.435 4.915 4.480 -0.000 0.000 0.321 286 M C -2.676 173.581 176.300 -0.071 0.000 1.101 286 M CA -1.472 53.777 55.300 -0.085 0.000 1.181 286 M CB -0.934 31.636 32.600 -0.050 0.000 1.432 286 M HN 0.254 nan 8.290 nan 0.000 0.457 287 P HA 0.135 nan 4.420 nan 0.000 0.272 287 P C 0.416 177.690 177.300 -0.044 0.000 1.240 287 P CA -0.343 62.713 63.100 -0.074 0.000 0.791 287 P CB 0.532 32.188 31.700 -0.074 0.000 0.978 288 L N 0.502 121.680 121.223 -0.075 0.000 2.131 288 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 288 L C 2.374 179.074 176.870 -0.283 0.000 1.092 288 L CA 2.107 56.861 54.840 -0.142 0.000 0.759 288 L CB -0.990 40.882 42.059 -0.311 0.000 0.903 288 L HN 0.474 nan 8.230 nan 0.000 0.435 289 S N -0.100 115.459 115.700 -0.234 0.000 2.400 289 S HA -0.234 4.236 4.470 -0.000 0.000 0.232 289 S C 1.857 176.446 174.600 -0.019 0.000 1.025 289 S CA 1.216 59.319 58.200 -0.161 0.000 0.993 289 S CB -0.231 62.922 63.200 -0.078 0.000 0.808 289 S HN 0.465 nan 8.310 nan 0.000 0.478 290 K N 0.480 120.889 120.400 0.016 0.000 2.202 290 K HA 0.342 4.662 4.320 -0.000 0.000 0.201 290 K C 2.131 178.821 176.600 0.149 0.000 1.051 290 K CA 0.446 56.777 56.287 0.074 0.000 0.977 290 K CB -0.287 32.240 32.500 0.045 0.000 0.792 290 K HN 0.254 nan 8.250 nan 0.000 0.469 291 L N 0.604 121.924 121.223 0.162 0.000 2.131 291 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 291 L C 1.875 179.011 176.870 0.444 0.000 1.092 291 L CA 1.228 56.202 54.840 0.223 0.000 0.759 291 L CB -0.128 42.029 42.059 0.163 0.000 0.903 291 L HN 0.179 nan 8.230 nan 0.000 0.435 292 F N -1.427 118.633 119.950 0.183 0.000 2.307 292 F HA -0.258 4.269 4.527 -0.000 0.000 0.301 292 F C 2.215 178.105 175.800 0.149 0.000 1.076 292 F CA 0.423 58.573 58.000 0.250 0.000 1.383 292 F CB -0.095 38.987 39.000 0.136 0.000 1.055 292 F HN -0.057 nan 8.300 nan 0.000 0.526 293 V N 1.532 121.622 119.914 0.293 0.000 2.216 293 V HA -0.236 3.884 4.120 -0.000 0.000 0.243 293 V C -0.258 175.936 176.094 0.166 0.000 1.044 293 V CA 2.124 64.525 62.300 0.168 0.000 0.995 293 V CB -1.867 30.038 31.823 0.137 0.000 0.633 293 V HN 0.145 nan 8.190 nan 0.000 0.446 294 P HA -0.227 nan 4.420 nan 0.000 0.218 294 P C 1.792 179.265 177.300 0.288 0.000 1.148 294 P CA 1.826 65.075 63.100 0.247 0.000 0.822 294 P CB -0.188 31.739 31.700 0.377 0.000 0.784 295 F N 0.635 120.709 119.950 0.207 0.000 2.031 295 F HA -0.189 4.338 4.527 -0.000 0.000 0.295 295 F C 2.188 177.967 175.800 -0.035 0.000 1.133 295 F CA 1.391 59.479 58.000 0.146 0.000 1.188 295 F CB -0.344 38.712 39.000 0.094 0.000 0.974 295 F HN -0.286 nan 8.300 nan 0.000 0.473 296 M N 0.430 119.763 119.600 -0.444 0.000 2.288 296 M HA -0.084 4.396 4.480 -0.000 0.000 0.266 296 M C 1.882 178.021 176.300 -0.269 0.000 1.072 296 M CA 1.126 56.079 55.300 -0.578 0.000 1.132 296 M CB -0.999 31.248 32.600 -0.588 0.000 1.386 296 M HN 0.120 nan 8.290 nan 0.000 0.432 297 K N 0.735 121.056 120.400 -0.131 0.000 2.025 297 K HA 0.032 4.352 4.320 -0.000 0.000 0.207 297 K C 1.973 178.526 176.600 -0.077 0.000 1.049 297 K CA 1.168 57.406 56.287 -0.081 0.000 0.933 297 K CB -0.416 32.065 32.500 -0.031 0.000 0.714 297 K HN 0.384 nan 8.250 nan 0.000 0.438 298 L N 0.180 121.368 121.223 -0.058 0.000 2.585 298 L HA 0.132 4.472 4.340 -0.000 0.000 0.226 298 L C 0.527 177.363 176.870 -0.057 0.000 1.113 298 L CA -0.175 54.628 54.840 -0.061 0.000 0.876 298 L CB 0.095 42.116 42.059 -0.062 0.000 1.072 298 L HN 0.037 nan 8.230 nan 0.000 0.468 299 S N 1.725 117.379 115.700 -0.077 0.000 3.866 299 S HA -0.172 4.298 4.470 -0.000 0.000 0.427 299 S C 0.171 174.787 174.600 0.026 0.000 0.891 299 S CA -0.056 58.100 58.200 -0.074 0.000 1.275 299 S CB -1.404 61.746 63.200 -0.082 0.000 0.872 299 S HN 0.583 nan 8.310 nan 0.000 0.562 300 N N 2.038 120.806 118.700 0.113 0.000 2.399 300 N HA 0.201 4.941 4.740 -0.000 0.000 0.259 300 N C 1.215 176.807 175.510 0.137 0.000 1.160 300 N CA 0.348 53.431 53.050 0.056 0.000 0.946 300 N CB -0.003 38.335 38.487 -0.248 0.000 1.156 300 N HN 0.721 nan 8.380 nan 0.000 0.489 301 N N 2.301 121.063 118.700 0.102 0.000 2.069 301 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 301 N C 1.719 177.294 175.510 0.108 0.000 1.031 301 N CA 1.328 54.450 53.050 0.121 0.000 0.852 301 N CB -0.093 38.458 38.487 0.106 0.000 1.018 301 N HN 0.580 nan 8.380 nan 0.000 0.423 302 G N 1.175 110.018 108.800 0.072 0.000 2.469 302 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 302 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 302 G C 1.074 176.031 174.900 0.096 0.000 1.150 302 G CA 1.134 46.290 45.100 0.093 0.000 0.763 302 G HN 0.370 nan 8.290 nan 0.000 0.561 303 H N 0.837 119.845 119.070 -0.103 0.000 2.387 303 H HA 0.080 4.636 4.556 -0.000 0.000 0.299 303 H C 2.845 177.856 175.328 -0.529 0.000 1.090 303 H CA 0.907 56.734 56.048 -0.369 0.000 1.332 303 H CB -0.740 28.671 29.762 -0.584 0.000 1.386 303 H HN 0.392 nan 8.280 nan 0.000 0.516 304 A N 1.232 123.898 122.820 -0.255 0.000 1.933 304 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 304 A C 2.199 179.773 177.584 -0.017 0.000 1.175 304 A CA 1.505 53.469 52.037 -0.122 0.000 0.628 304 A CB -0.036 19.079 19.000 0.193 0.000 0.814 304 A HN 0.292 nan 8.150 nan 0.000 0.444 305 E N 0.081 120.310 120.200 0.048 0.000 2.107 305 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 305 E C 2.321 178.823 176.600 -0.163 0.000 0.982 305 E CA 1.539 57.965 56.400 0.043 0.000 0.809 305 E CB -1.070 28.784 29.700 0.257 0.000 0.756 305 E HN 0.657 nan 8.360 nan 0.000 0.459 306 V N -0.492 119.364 119.914 -0.097 0.000 2.407 306 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 306 V C 2.337 178.434 176.094 0.004 0.000 1.055 306 V CA 1.264 63.523 62.300 -0.068 0.000 1.049 306 V CB -0.841 30.935 31.823 -0.079 0.000 0.662 306 V HN 0.095 nan 8.190 nan 0.000 0.455 307 L N -0.170 121.042 121.223 -0.017 0.000 2.046 307 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 307 L C 2.753 179.596 176.870 -0.045 0.000 1.077 307 L CA 1.570 56.426 54.840 0.028 0.000 0.747 307 L CB -0.597 41.444 42.059 -0.028 0.000 0.896 307 L HN 0.256 nan 8.230 nan 0.000 0.432 308 V N -0.022 119.835 119.914 -0.097 0.000 2.332 308 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 308 V C 2.492 178.436 176.094 -0.250 0.000 1.055 308 V CA 1.792 64.014 62.300 -0.131 0.000 1.038 308 V CB -0.490 31.267 31.823 -0.109 0.000 0.651 308 V HN 0.419 nan 8.190 nan 0.000 0.450 309 K N -0.394 119.762 120.400 -0.408 0.000 2.097 309 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 309 K C 2.210 178.514 176.600 -0.493 0.000 1.050 309 K CA 1.454 57.378 56.287 -0.604 0.000 0.938 309 K CB -0.121 31.808 32.500 -0.952 0.000 0.718 309 K HN 0.364 nan 8.250 nan 0.000 0.442 310 E N 1.144 121.232 120.200 -0.187 0.000 2.110 310 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 310 E C 1.819 178.377 176.600 -0.071 0.000 0.988 310 E CA 1.317 57.767 56.400 0.083 0.000 0.804 310 E CB 0.002 29.876 29.700 0.290 0.000 0.745 310 E HN 0.187 nan 8.360 nan 0.000 0.458 311 M N -0.877 118.651 119.600 -0.120 0.000 2.117 311 M HA -0.053 4.427 4.480 -0.000 0.000 0.262 311 M C 2.236 178.464 176.300 -0.120 0.000 1.065 311 M CA 1.636 56.861 55.300 -0.125 0.000 1.114 311 M CB -0.404 32.140 32.600 -0.094 0.000 1.361 311 M HN 0.286 nan 8.290 nan 0.000 0.408 312 G N 0.255 108.967 108.800 -0.146 0.000 2.408 312 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 312 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 312 G C 1.526 176.331 174.900 -0.159 0.000 1.150 312 G CA 1.051 46.066 45.100 -0.143 0.000 0.776 312 G HN 0.267 nan 8.290 nan 0.000 0.542 313 K N 0.430 120.712 120.400 -0.197 0.000 2.057 313 K HA 0.039 4.359 4.320 -0.000 0.000 0.206 313 K C 2.429 178.918 176.600 -0.185 0.000 1.050 313 K CA 1.208 57.349 56.287 -0.243 0.000 0.935 313 K CB -0.659 31.657 32.500 -0.306 0.000 0.715 313 K HN 0.164 nan 8.250 nan 0.000 0.439 314 V N 1.021 120.872 119.914 -0.105 0.000 2.323 314 V HA -0.147 3.973 4.120 -0.000 0.000 0.244 314 V C 2.204 178.260 176.094 -0.063 0.000 1.041 314 V CA 1.648 63.914 62.300 -0.057 0.000 1.025 314 V CB -0.308 31.482 31.823 -0.054 0.000 0.656 314 V HN 0.247 nan 8.190 nan 0.000 0.451 315 K N -0.129 120.226 120.400 -0.074 0.000 2.128 315 K HA 0.065 4.385 4.320 -0.000 0.000 0.202 315 K C 1.896 178.460 176.600 -0.060 0.000 1.050 315 K CA 0.787 57.038 56.287 -0.059 0.000 0.966 315 K CB -0.082 32.384 32.500 -0.057 0.000 0.759 315 K HN 0.298 nan 8.250 nan 0.000 0.454 316 K N -0.535 119.821 120.400 -0.074 0.000 2.353 316 K HA 0.120 4.440 4.320 -0.000 0.000 0.195 316 K C 0.759 177.309 176.600 -0.083 0.000 1.031 316 K CA 0.605 56.851 56.287 -0.069 0.000 1.079 316 K CB 1.006 33.467 32.500 -0.065 0.000 0.857 316 K HN 0.341 nan 8.250 nan 0.000 0.535 317 G N 2.464 111.197 108.800 -0.113 0.000 2.143 317 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.249 317 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.249 317 G C -0.160 174.643 174.900 -0.162 0.000 0.981 317 G CA 0.571 45.588 45.100 -0.137 0.000 0.665 317 G HN 0.377 nan 8.290 nan 0.000 0.528 318 E N -0.298 119.803 120.200 -0.164 0.000 2.294 318 E HA 0.518 4.868 4.350 -0.000 0.000 0.272 318 E C 0.380 176.860 176.600 -0.199 0.000 0.896 318 E CA -0.372 55.932 56.400 -0.160 0.000 0.802 318 E CB 0.749 30.387 29.700 -0.102 0.000 1.267 318 E HN 0.551 nan 8.360 nan 0.000 0.406 319 G N 3.081 111.737 108.800 -0.239 0.000 2.865 319 G HA2 0.321 4.281 3.960 -0.000 0.000 0.292 319 G HA3 0.321 4.281 3.960 -0.000 0.000 0.292 319 G C -0.272 174.419 174.900 -0.348 0.000 0.800 319 G CA 0.229 45.103 45.100 -0.377 0.000 1.838 319 G HN 0.376 nan 8.290 nan 0.000 0.535 320 S N 0.299 115.828 115.700 -0.284 0.000 2.618 320 S HA 0.436 4.906 4.470 -0.000 0.000 0.277 320 S C 0.517 175.018 174.600 -0.164 0.000 1.138 320 S CA -1.002 57.085 58.200 -0.188 0.000 0.844 320 S CB 1.320 64.498 63.200 -0.037 0.000 1.127 320 S HN 0.364 nan 8.310 nan 0.000 0.474 321 W N 1.751 123.015 121.300 -0.060 0.000 2.358 321 W HA -0.081 4.579 4.660 -0.000 0.000 0.303 321 W C 2.114 178.613 176.519 -0.033 0.000 1.208 321 W CA 1.851 59.172 57.345 -0.041 0.000 1.274 321 W CB -0.529 28.919 29.460 -0.020 0.000 1.138 321 W HN 0.891 nan 8.180 nan 0.000 0.515 322 E N 0.739 121.058 120.200 0.197 0.000 2.033 322 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 322 E C 1.751 178.380 176.600 0.049 0.000 1.011 322 E CA 1.443 57.905 56.400 0.104 0.000 0.815 322 E CB -0.909 28.835 29.700 0.073 0.000 0.755 322 E HN 0.094 nan 8.360 nan 0.000 0.451 323 K N 0.681 121.086 120.400 0.007 0.000 2.062 323 K HA 0.028 4.348 4.320 -0.000 0.000 0.205 323 K C 2.218 178.796 176.600 -0.037 0.000 1.051 323 K CA 1.284 57.555 56.287 -0.026 0.000 0.941 323 K CB -0.998 31.468 32.500 -0.058 0.000 0.719 323 K HN 0.313 nan 8.250 nan 0.000 0.440 324 G N 0.482 109.243 108.800 -0.065 0.000 2.440 324 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 324 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 324 G C 1.290 176.183 174.900 -0.012 0.000 1.154 324 G CA 0.626 45.678 45.100 -0.080 0.000 0.767 324 G HN 0.140 nan 8.290 nan 0.000 0.552 325 L N 0.687 121.935 121.223 0.041 0.000 2.141 325 L HA 0.072 4.412 4.340 -0.000 0.000 0.209 325 L C 2.717 179.613 176.870 0.045 0.000 1.094 325 L CA 1.279 56.162 54.840 0.072 0.000 0.763 325 L CB -0.583 41.545 42.059 0.114 0.000 0.908 325 L HN 0.364 nan 8.230 nan 0.000 0.437 326 E N -0.900 119.316 120.200 0.026 0.000 2.072 326 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 326 E C 2.150 178.753 176.600 0.006 0.000 0.985 326 E CA 1.539 57.948 56.400 0.015 0.000 0.801 326 E CB -0.200 29.503 29.700 0.005 0.000 0.750 326 E HN 0.472 nan 8.360 nan 0.000 0.452 327 V N -0.217 119.695 119.914 -0.005 0.000 2.515 327 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 327 V C 2.267 178.364 176.094 0.006 0.000 1.058 327 V CA 1.082 63.375 62.300 -0.012 0.000 1.064 327 V CB -0.554 31.250 31.823 -0.031 0.000 0.675 327 V HN 0.083 nan 8.190 nan 0.000 0.461 328 L N 1.726 122.963 121.223 0.024 0.000 2.017 328 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 328 L C 2.360 179.266 176.870 0.059 0.000 1.073 328 L CA 2.515 57.388 54.840 0.055 0.000 0.745 328 L CB -1.025 41.076 42.059 0.069 0.000 0.894 328 L HN 0.401 nan 8.230 nan 0.000 0.432 329 N N -1.611 117.116 118.700 0.045 0.000 2.166 329 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 329 N C 1.688 177.208 175.510 0.017 0.000 1.019 329 N CA 1.287 54.361 53.050 0.039 0.000 0.856 329 N CB -0.032 38.475 38.487 0.032 0.000 0.993 329 N HN 0.259 nan 8.380 nan 0.000 0.426 330 S N -0.629 115.073 115.700 0.002 0.000 2.423 330 S HA -0.113 4.357 4.470 -0.000 0.000 0.231 330 S C 2.087 176.657 174.600 -0.051 0.000 1.014 330 S CA 1.497 59.684 58.200 -0.020 0.000 0.965 330 S CB -0.287 62.901 63.200 -0.021 0.000 0.785 330 S HN 0.604 nan 8.310 nan 0.000 0.495 331 T N 0.009 114.532 114.554 -0.051 0.000 3.051 331 T HA 0.239 4.589 4.350 -0.000 0.000 0.255 331 T C 1.687 176.228 174.700 -0.264 0.000 1.085 331 T CA 0.064 62.082 62.100 -0.137 0.000 1.109 331 T CB -0.450 68.378 68.868 -0.066 0.000 0.921 331 T HN 0.244 nan 8.240 nan 0.000 0.488 332 L N 1.086 122.266 121.223 -0.072 0.000 2.081 332 L HA -0.017 4.323 4.340 -0.000 0.000 0.212 332 L C -0.459 176.362 176.870 -0.083 0.000 1.080 332 L CA 1.494 56.345 54.840 0.019 0.000 0.754 332 L CB -1.688 40.440 42.059 0.114 0.000 0.893 332 L HN 0.248 nan 8.230 nan 0.000 0.433 333 P HA -0.191 nan 4.420 nan 0.000 0.218 333 P C 1.123 178.336 177.300 -0.144 0.000 1.146 333 P CA 1.237 64.290 63.100 -0.078 0.000 0.813 333 P CB -0.004 31.657 31.700 -0.064 0.000 0.778 334 E N -2.021 117.974 120.200 -0.341 0.000 2.401 334 E HA -0.109 4.241 4.350 -0.000 0.000 0.199 334 E C 0.405 176.789 176.600 -0.360 0.000 1.023 334 E CA 0.739 56.880 56.400 -0.431 0.000 0.859 334 E CB -0.323 28.976 29.700 -0.669 0.000 0.780 334 E HN 0.368 nan 8.360 nan 0.000 0.523 335 F N -0.943 119.038 119.950 0.052 0.000 2.654 335 F HA 0.356 4.883 4.527 -0.000 0.000 0.303 335 F C 1.399 177.230 175.800 0.052 0.000 1.099 335 F CA -0.033 57.996 58.000 0.049 0.000 1.270 335 F CB 0.695 39.739 39.000 0.074 0.000 1.024 335 F HN -0.042 nan 8.300 nan 0.000 0.548 336 G N 0.594 109.481 108.800 0.146 0.000 2.148 336 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 336 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 336 G C -0.022 174.946 174.900 0.113 0.000 0.981 336 G CA 0.180 45.349 45.100 0.115 0.000 0.670 336 G HN 0.183 nan 8.290 nan 0.000 0.528 337 V N 0.848 120.841 119.914 0.133 0.000 2.465 337 V HA 0.466 4.586 4.120 -0.000 0.000 0.279 337 V C 0.282 176.419 176.094 0.073 0.000 1.045 337 V CA -0.481 61.889 62.300 0.117 0.000 0.938 337 V CB 1.803 33.727 31.823 0.168 0.000 0.986 337 V HN 0.311 nan 8.190 nan 0.000 0.467 338 D N 3.094 123.529 120.400 0.058 0.000 2.393 338 D HA 0.147 4.787 4.640 -0.000 0.000 0.232 338 D C 1.380 177.704 176.300 0.041 0.000 1.192 338 D CA 0.225 54.248 54.000 0.039 0.000 0.882 338 D CB 1.318 42.136 40.800 0.030 0.000 1.038 338 D HN 0.609 nan 8.370 nan 0.000 0.499 339 S N 3.883 119.605 115.700 0.037 0.000 2.419 339 S HA -0.166 4.304 4.470 -0.000 0.000 0.233 339 S C 1.558 176.176 174.600 0.031 0.000 1.016 339 S CA 0.549 58.771 58.200 0.038 0.000 0.974 339 S CB -0.057 63.161 63.200 0.031 0.000 0.786 339 S HN 0.329 nan 8.310 nan 0.000 0.492 340 K N 1.580 121.994 120.400 0.024 0.000 2.365 340 K HA 0.216 4.536 4.320 -0.000 0.000 0.199 340 K C 1.479 178.091 176.600 0.020 0.000 1.045 340 K CA 0.623 56.922 56.287 0.019 0.000 0.962 340 K CB -0.463 32.046 32.500 0.014 0.000 0.759 340 K HN 0.441 nan 8.250 nan 0.000 0.469 341 S N 0.730 116.444 115.700 0.023 0.000 2.556 341 S HA 0.107 4.577 4.470 -0.000 0.000 0.216 341 S C 0.375 174.990 174.600 0.025 0.000 0.970 341 S CA -0.346 57.867 58.200 0.022 0.000 0.912 341 S CB -0.105 63.108 63.200 0.021 0.000 0.790 341 S HN 0.175 nan 8.310 nan 0.000 0.504 342 L N -1.966 119.275 121.223 0.030 0.000 2.309 342 L HA 0.875 5.215 4.340 -0.000 0.000 0.261 342 L C -0.841 176.048 176.870 0.031 0.000 1.021 342 L CA -1.149 53.711 54.840 0.032 0.000 0.823 342 L CB 0.943 43.026 42.059 0.041 0.000 1.366 342 L HN -0.244 nan 8.230 nan 0.000 0.423 343 V N 2.302 122.234 119.914 0.030 0.000 2.407 343 V HA 0.499 4.619 4.120 -0.000 0.000 0.291 343 V C -0.387 175.725 176.094 0.032 0.000 1.018 343 V CA -0.328 61.989 62.300 0.028 0.000 0.842 343 V CB 1.373 33.210 31.823 0.023 0.000 0.996 343 V HN 0.614 nan 8.190 nan 0.000 0.426 344 L N 5.967 127.213 121.223 0.038 0.000 2.294 344 L HA 0.594 4.934 4.340 -0.000 0.000 0.283 344 L C 0.986 177.882 176.870 0.044 0.000 1.015 344 L CA -0.526 54.342 54.840 0.047 0.000 0.831 344 L CB 1.695 43.792 42.059 0.063 0.000 1.217 344 L HN 0.590 nan 8.230 nan 0.000 0.420 345 R N 1.337 121.855 120.500 0.030 0.000 2.254 345 R HA 0.184 4.524 4.340 -0.000 0.000 0.193 345 R C -0.419 175.881 176.300 -0.000 0.000 0.929 345 R CA 0.213 56.315 56.100 0.004 0.000 1.038 345 R CB 0.345 30.633 30.300 -0.021 0.000 1.009 345 R HN 0.789 nan 8.270 nan 0.000 0.512 346 D N -2.943 117.489 120.400 0.053 0.000 2.768 346 D HA 0.224 4.864 4.640 -0.000 0.000 0.327 346 D C 0.579 176.983 176.300 0.173 0.000 1.302 346 D CA -0.525 53.553 54.000 0.129 0.000 0.897 346 D CB 0.051 40.879 40.800 0.047 0.000 1.420 346 D HN -0.145 nan 8.370 nan 0.000 0.494 347 G N -1.365 107.575 108.800 0.233 0.000 2.833 347 G HA2 0.068 4.028 3.960 -0.000 0.000 0.210 347 G HA3 0.068 4.028 3.960 -0.000 0.000 0.210 347 G C 1.050 176.041 174.900 0.152 0.000 1.139 347 G CA 0.636 45.840 45.100 0.174 0.000 0.771 347 G HN 0.535 nan 8.290 nan 0.000 0.535 348 S N -0.723 115.065 115.700 0.146 0.000 2.478 348 S HA 0.351 4.821 4.470 -0.000 0.000 0.222 348 S C 1.897 176.528 174.600 0.052 0.000 1.008 348 S CA 1.162 59.434 58.200 0.120 0.000 0.928 348 S CB 0.031 63.302 63.200 0.119 0.000 0.781 348 S HN 1.409 nan 8.310 nan 0.000 0.518 349 G N 1.278 110.095 108.800 0.028 0.000 2.141 349 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.242 349 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.242 349 G C 0.447 175.304 174.900 -0.073 0.000 0.982 349 G CA 0.305 45.392 45.100 -0.023 0.000 0.662 349 G HN 0.584 nan 8.290 nan 0.000 0.527 350 I N 0.733 121.272 120.570 -0.052 0.000 2.546 350 I HA 0.128 4.298 4.170 -0.000 0.000 0.255 350 I C 1.697 177.737 176.117 -0.129 0.000 1.163 350 I CA 1.191 62.440 61.300 -0.084 0.000 1.457 350 I CB -0.032 37.957 38.000 -0.018 0.000 1.092 350 I HN 0.315 nan 8.210 nan 0.000 0.434 351 S N 0.156 115.803 115.700 -0.089 0.000 2.531 351 S HA 0.001 4.471 4.470 -0.000 0.000 0.279 351 S C 1.116 175.650 174.600 -0.110 0.000 1.305 351 S CA -0.276 57.886 58.200 -0.063 0.000 1.058 351 S CB 0.257 63.436 63.200 -0.035 0.000 0.899 351 S HN 0.356 nan 8.310 nan 0.000 0.493 352 H N 4.304 123.365 119.070 -0.014 0.000 2.556 352 H HA 0.131 4.687 4.556 -0.000 0.000 0.268 352 H C 1.212 176.537 175.328 -0.005 0.000 0.996 352 H CA 0.906 56.948 56.048 -0.010 0.000 1.157 352 H CB 0.233 29.989 29.762 -0.009 0.000 1.355 352 H HN 0.606 nan 8.280 nan 0.000 0.597 353 I N 0.109 120.723 120.570 0.073 0.000 3.427 353 I HA -0.058 4.112 4.170 -0.000 0.000 0.288 353 I C 0.274 176.405 176.117 0.022 0.000 1.249 353 I CA 0.034 61.361 61.300 0.045 0.000 1.421 353 I CB 0.149 38.168 38.000 0.031 0.000 1.086 353 I HN -0.084 nan 8.210 nan 0.000 0.448 354 D N 2.821 123.223 120.400 0.004 0.000 2.488 354 D HA 0.280 4.920 4.640 -0.000 0.000 0.238 354 D C 0.011 176.315 176.300 0.008 0.000 1.138 354 D CA 0.593 54.594 54.000 0.003 0.000 0.873 354 D CB 1.151 41.943 40.800 -0.013 0.000 1.183 354 D HN 0.180 nan 8.370 nan 0.000 0.458 355 A N 2.023 124.853 122.820 0.016 0.000 2.408 355 A HA 0.612 4.932 4.320 -0.000 0.000 0.295 355 A C -0.994 176.603 177.584 0.022 0.000 1.040 355 A CA -0.565 51.483 52.037 0.019 0.000 0.707 355 A CB 1.393 20.406 19.000 0.022 0.000 1.235 355 A HN 0.284 nan 8.150 nan 0.000 0.418 356 V N 1.448 121.374 119.914 0.021 0.000 3.048 356 V HA 0.664 4.784 4.120 -0.000 0.000 0.303 356 V C 0.168 176.277 176.094 0.024 0.000 1.214 356 V CA -0.337 61.978 62.300 0.025 0.000 0.984 356 V CB 2.472 34.311 31.823 0.026 0.000 1.054 356 V HN 1.254 nan 8.190 nan 0.000 0.430 357 S N 0.866 116.581 115.700 0.026 0.000 2.654 357 S HA 0.391 4.861 4.470 -0.000 0.000 0.283 357 S C 1.174 175.792 174.600 0.028 0.000 1.180 357 S CA 0.124 58.339 58.200 0.026 0.000 1.021 357 S CB 1.625 64.838 63.200 0.021 0.000 1.018 357 S HN 1.170 nan 8.310 nan 0.000 0.532 358 S N 0.564 116.284 115.700 0.034 0.000 2.447 358 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 358 S C 0.911 175.531 174.600 0.034 0.000 1.006 358 S CA 1.070 59.294 58.200 0.039 0.000 0.957 358 S CB -0.682 62.556 63.200 0.064 0.000 0.773 358 S HN 0.744 nan 8.310 nan 0.000 0.507 359 D N 2.095 122.511 120.400 0.027 0.000 2.097 359 D HA -0.080 4.560 4.640 -0.000 0.000 0.195 359 D C 2.344 178.663 176.300 0.030 0.000 0.989 359 D CA 1.402 55.414 54.000 0.021 0.000 0.827 359 D CB -0.456 40.350 40.800 0.010 0.000 0.966 359 D HN 0.578 nan 8.370 nan 0.000 0.456 360 Q N -0.347 119.474 119.800 0.035 0.000 2.050 360 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 360 Q C 2.090 178.122 176.000 0.053 0.000 0.980 360 Q CA 0.635 56.468 55.803 0.050 0.000 0.840 360 Q CB -0.078 28.690 28.738 0.050 0.000 0.898 360 Q HN 0.163 nan 8.270 nan 0.000 0.424 361 L N 0.379 121.623 121.223 0.034 0.000 2.046 361 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 361 L C 2.252 179.122 176.870 0.000 0.000 1.077 361 L CA 1.691 56.540 54.840 0.015 0.000 0.747 361 L CB -0.748 41.307 42.059 -0.007 0.000 0.896 361 L HN 0.077 nan 8.230 nan 0.000 0.432 362 S N -1.135 114.569 115.700 0.007 0.000 2.368 362 S HA -0.242 4.228 4.470 -0.000 0.000 0.225 362 S C 1.805 176.446 174.600 0.067 0.000 1.030 362 S CA 1.202 59.408 58.200 0.010 0.000 0.999 362 S CB -0.218 62.998 63.200 0.028 0.000 0.844 362 S HN 0.470 nan 8.310 nan 0.000 0.459 363 Q N 1.592 121.440 119.800 0.080 0.000 2.077 363 Q HA -0.133 4.207 4.340 -0.000 0.000 0.206 363 Q C 2.036 178.139 176.000 0.172 0.000 0.989 363 Q CA 1.619 57.505 55.803 0.138 0.000 0.853 363 Q CB -0.831 27.973 28.738 0.110 0.000 0.907 363 Q HN 0.468 nan 8.270 nan 0.000 0.418 364 L N -0.303 120.988 121.223 0.113 0.000 1.970 364 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 364 L C 2.216 179.093 176.870 0.012 0.000 1.071 364 L CA 1.885 56.765 54.840 0.067 0.000 0.751 364 L CB -0.696 41.386 42.059 0.038 0.000 0.889 364 L HN 0.419 nan 8.230 nan 0.000 0.432 365 L N -1.474 119.761 121.223 0.021 0.000 2.129 365 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 365 L C 2.503 179.464 176.870 0.152 0.000 1.087 365 L CA 1.858 56.719 54.840 0.035 0.000 0.757 365 L CB -0.724 41.204 42.059 -0.218 0.000 0.896 365 L HN 0.508 nan 8.230 nan 0.000 0.434 366 Y N 0.211 120.526 120.300 0.024 0.000 2.206 366 Y HA -0.231 4.319 4.550 -0.000 0.000 0.292 366 Y C 2.428 178.296 175.900 -0.054 0.000 1.123 366 Y CA 1.662 59.776 58.100 0.024 0.000 1.142 366 Y CB -0.182 38.289 38.460 0.019 0.000 1.006 366 Y HN 0.135 nan 8.280 nan 0.000 0.518 367 D N 0.595 120.845 120.400 -0.250 0.000 2.219 367 D HA -0.174 4.466 4.640 -0.000 0.000 0.205 367 D C 2.010 178.102 176.300 -0.345 0.000 0.970 367 D CA 1.498 55.306 54.000 -0.320 0.000 0.851 367 D CB -0.096 40.731 40.800 0.044 0.000 0.943 367 D HN 0.581 nan 8.370 nan 0.000 0.488 368 I N 0.715 121.082 120.570 -0.338 0.000 2.264 368 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 368 I C 2.574 178.221 176.117 -0.783 0.000 1.111 368 I CA 0.733 61.762 61.300 -0.452 0.000 1.382 368 I CB -0.394 37.405 38.000 -0.335 0.000 1.060 368 I HN 0.007 nan 8.210 nan 0.000 0.418 369 Q N 0.967 120.119 119.800 -1.079 0.000 2.207 369 Q HA -0.276 4.064 4.340 -0.000 0.000 0.215 369 Q C 0.882 176.272 176.000 -1.017 0.000 1.006 369 Q CA 2.013 56.855 55.803 -1.602 0.000 0.903 369 Q CB -0.503 27.644 28.738 -0.986 0.000 0.947 369 Q HN 0.697 nan 8.270 nan 0.000 0.414 370 D N -0.298 119.718 120.400 -0.641 0.000 2.706 370 D HA 0.039 4.679 4.640 -0.000 0.000 0.236 370 D C -0.133 175.933 176.300 -0.391 0.000 1.231 370 D CA -0.032 53.718 54.000 -0.416 0.000 0.828 370 D CB 0.184 40.799 40.800 -0.308 0.000 1.015 370 D HN 0.033 nan 8.370 nan 0.000 0.484 371 Q N 0.662 120.147 119.800 -0.525 0.000 2.235 371 Q HA 0.253 4.593 4.340 -0.000 0.000 0.256 371 Q C 1.336 176.998 176.000 -0.565 0.000 0.951 371 Q CA -0.498 54.893 55.803 -0.687 0.000 0.890 371 Q CB 1.963 29.897 28.738 -1.340 0.000 1.279 371 Q HN 0.026 nan 8.270 nan 0.000 0.444 372 S N 3.229 118.643 115.700 -0.478 0.000 2.387 372 S HA -0.138 4.332 4.470 -0.000 0.000 0.230 372 S C 1.121 175.664 174.600 -0.096 0.000 1.035 372 S CA 1.537 59.607 58.200 -0.215 0.000 1.014 372 S CB -0.522 62.625 63.200 -0.088 0.000 0.836 372 S HN 0.842 nan 8.310 nan 0.000 0.466 373 W N -0.663 120.675 121.300 0.065 0.000 3.290 373 W HA 0.351 5.011 4.660 0.000 0.000 0.287 373 W C 1.264 177.842 176.519 0.099 0.000 1.288 373 W CA -0.778 56.600 57.345 0.055 0.000 1.725 373 W CB -0.895 28.587 29.460 0.035 0.000 1.103 373 W HN 0.222 nan 8.180 nan 0.000 0.670 374 F N 3.895 123.795 119.950 -0.084 0.000 2.120 374 F HA -0.299 4.228 4.527 -0.000 0.000 0.300 374 F C 2.457 178.334 175.800 0.130 0.000 1.095 374 F CA 2.522 60.515 58.000 -0.012 0.000 1.249 374 F CB -0.576 38.267 39.000 -0.261 0.000 0.995 374 F HN -0.131 nan 8.300 nan 0.000 0.480 375 S N 0.713 116.396 115.700 -0.028 0.000 2.359 375 S HA -0.248 4.222 4.470 -0.000 0.000 0.224 375 S C 2.347 176.899 174.600 -0.079 0.000 1.035 375 S CA 1.151 59.284 58.200 -0.112 0.000 1.018 375 S CB -1.463 61.731 63.200 -0.010 0.000 0.876 375 S HN 0.482 nan 8.310 nan 0.000 0.448 376 A N 0.686 123.531 122.820 0.042 0.000 1.930 376 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 376 A C 2.011 179.654 177.584 0.098 0.000 1.175 376 A CA 1.420 53.491 52.037 0.056 0.000 0.627 376 A CB -1.081 17.953 19.000 0.055 0.000 0.815 376 A HN 0.585 nan 8.150 nan 0.000 0.443 377 Y N -0.127 120.195 120.300 0.036 0.000 2.089 377 Y HA -0.197 4.353 4.550 -0.000 0.000 0.282 377 Y C 2.131 177.982 175.900 -0.081 0.000 1.139 377 Y CA 2.030 60.188 58.100 0.096 0.000 1.123 377 Y CB -0.344 38.277 38.460 0.270 0.000 0.980 377 Y HN 0.263 nan 8.280 nan 0.000 0.493 378 L N 1.548 122.684 121.223 -0.145 0.000 2.013 378 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 378 L C 2.176 178.965 176.870 -0.136 0.000 1.073 378 L CA 2.415 57.097 54.840 -0.264 0.000 0.753 378 L CB -1.447 40.208 42.059 -0.674 0.000 0.890 378 L HN 0.495 nan 8.230 nan 0.000 0.432 379 N N -0.852 117.779 118.700 -0.115 0.000 2.272 379 N HA -0.215 4.525 4.740 -0.000 0.000 0.185 379 N C 1.718 177.208 175.510 -0.033 0.000 1.014 379 N CA 1.504 54.520 53.050 -0.056 0.000 0.870 379 N CB 0.012 38.480 38.487 -0.032 0.000 0.975 379 N HN 0.670 nan 8.380 nan 0.000 0.433 380 S N 0.089 115.765 115.700 -0.040 0.000 2.496 380 S HA 0.103 4.573 4.470 -0.000 0.000 0.224 380 S C 1.177 175.711 174.600 -0.111 0.000 0.996 380 S CA -0.258 57.917 58.200 -0.043 0.000 0.927 380 S CB -0.230 62.972 63.200 0.003 0.000 0.774 380 S HN 0.180 nan 8.310 nan 0.000 0.524 381 L N 1.923 123.073 121.223 -0.122 0.000 2.439 381 L HA 0.364 4.704 4.340 -0.000 0.000 0.269 381 L C -2.460 174.374 176.870 -0.059 0.000 1.179 381 L CA -2.196 52.577 54.840 -0.112 0.000 0.828 381 L CB -0.243 41.785 42.059 -0.052 0.000 1.106 381 L HN -0.024 nan 8.230 nan 0.000 0.467 382 P HA 0.006 nan 4.420 nan 0.000 0.266 382 P C -0.777 176.523 177.300 -0.000 0.000 1.195 382 P CA -0.030 63.050 63.100 -0.033 0.000 0.768 382 P CB 0.656 32.331 31.700 -0.041 0.000 0.838 383 V N 3.619 123.536 119.914 0.005 0.000 2.333 383 V HA 0.375 4.495 4.120 -0.000 0.000 0.274 383 V C 0.571 176.679 176.094 0.023 0.000 1.028 383 V CA -0.935 61.378 62.300 0.022 0.000 0.851 383 V CB 0.543 32.376 31.823 0.017 0.000 1.000 383 V HN 0.688 nan 8.190 nan 0.000 0.456 384 A N 4.350 127.193 122.820 0.038 0.000 2.583 384 A HA 0.393 4.713 4.320 -0.000 0.000 0.249 384 A C 1.675 179.271 177.584 0.020 0.000 1.035 384 A CA 0.929 52.985 52.037 0.032 0.000 0.777 384 A CB -0.648 18.380 19.000 0.047 0.000 0.942 384 A HN 2.225 nan 8.150 nan 0.000 0.516 385 G N 2.085 110.892 108.800 0.012 0.000 2.196 385 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.268 385 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.268 385 G C 0.254 175.158 174.900 0.005 0.000 0.975 385 G CA 0.736 45.840 45.100 0.007 0.000 0.648 385 G HN 1.242 nan 8.290 nan 0.000 0.538 386 N N 0.888 119.591 118.700 0.006 0.000 2.497 386 N HA 0.457 5.197 4.740 -0.000 0.000 0.268 386 N C -0.592 174.918 175.510 -0.000 0.000 1.171 386 N CA -1.188 51.864 53.050 0.004 0.000 0.948 386 N CB 1.147 39.637 38.487 0.005 0.000 1.069 386 N HN 0.005 nan 8.380 nan 0.000 0.460 387 P HA -0.091 nan 4.420 nan 0.000 0.218 387 P C -0.580 176.717 177.300 -0.004 0.000 1.149 387 P CA 0.887 63.985 63.100 -0.002 0.000 0.817 387 P CB 0.094 31.794 31.700 -0.000 0.000 0.785 388 D N -0.431 119.967 120.400 -0.003 0.000 2.401 388 D HA -0.028 4.612 4.640 -0.000 0.000 0.254 388 D C 1.547 177.842 176.300 -0.009 0.000 1.192 388 D CA -0.024 53.973 54.000 -0.004 0.000 0.885 388 D CB 0.374 41.174 40.800 0.000 0.000 1.147 388 D HN -0.274 nan 8.370 nan 0.000 0.478 389 R N 3.611 124.103 120.500 -0.014 0.000 2.119 389 R HA -0.136 4.204 4.340 -0.000 0.000 0.246 389 R C 1.143 177.430 176.300 -0.022 0.000 1.146 389 R CA 1.230 57.316 56.100 -0.024 0.000 0.962 389 R CB -0.097 30.183 30.300 -0.032 0.000 0.863 389 R HN 0.612 nan 8.270 nan 0.000 0.442 390 M N -0.227 119.366 119.600 -0.011 0.000 2.561 390 M HA 0.015 4.495 4.480 -0.000 0.000 0.238 390 M C 1.558 177.859 176.300 0.001 0.000 1.131 390 M CA 0.320 55.619 55.300 -0.002 0.000 1.046 390 M CB 0.278 32.885 32.600 0.011 0.000 1.532 390 M HN -0.107 nan 8.290 nan 0.000 0.497 391 V N -1.604 118.309 119.914 -0.003 0.000 2.996 391 V HA 0.205 4.325 4.120 -0.000 0.000 0.235 391 V C 2.223 178.313 176.094 -0.007 0.000 1.205 391 V CA 1.291 63.590 62.300 -0.002 0.000 1.225 391 V CB -0.411 31.413 31.823 0.002 0.000 0.995 391 V HN 0.397 nan 8.190 nan 0.000 0.484 392 G N -0.435 108.360 108.800 -0.008 0.000 2.464 392 G HA2 0.318 4.278 3.960 -0.000 0.000 0.217 392 G HA3 0.318 4.278 3.960 -0.000 0.000 0.217 392 G C 1.188 176.077 174.900 -0.019 0.000 1.138 392 G CA 1.122 46.217 45.100 -0.009 0.000 0.793 392 G HN 0.850 nan 8.290 nan 0.000 0.539 393 G N 0.203 108.987 108.800 -0.026 0.000 2.634 393 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.309 393 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.309 393 G C 1.438 176.313 174.900 -0.041 0.000 1.265 393 G CA 2.257 47.334 45.100 -0.039 0.000 0.998 393 G HN 1.196 nan 8.290 nan 0.000 0.551 394 T N -0.479 114.046 114.554 -0.049 0.000 3.163 394 T HA 0.350 4.700 4.350 -0.000 0.000 0.260 394 T C 1.863 176.543 174.700 -0.032 0.000 1.156 394 T CA 1.571 63.643 62.100 -0.046 0.000 1.072 394 T CB 0.013 68.846 68.868 -0.057 0.000 0.937 394 T HN 0.516 nan 8.240 nan 0.000 0.528 395 L N 0.512 121.721 121.223 -0.023 0.000 2.959 395 L HA 0.364 4.704 4.340 -0.000 0.000 0.259 395 L C 2.466 179.332 176.870 -0.007 0.000 1.185 395 L CA -0.392 54.442 54.840 -0.010 0.000 0.998 395 L CB 0.040 42.101 42.059 0.003 0.000 1.337 395 L HN 0.256 nan 8.230 nan 0.000 0.555 396 R N -0.664 119.828 120.500 -0.013 0.000 2.152 396 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 396 R C 0.701 176.996 176.300 -0.008 0.000 1.117 396 R CA 1.268 57.362 56.100 -0.010 0.000 0.981 396 R CB -0.249 30.042 30.300 -0.015 0.000 0.870 396 R HN 0.237 nan 8.270 nan 0.000 0.451 397 N N 0.386 119.081 118.700 -0.009 0.000 2.275 397 N HA 0.146 4.886 4.740 -0.000 0.000 0.236 397 N C -0.684 174.823 175.510 -0.005 0.000 1.154 397 N CA -0.021 53.025 53.050 -0.007 0.000 0.866 397 N CB 0.852 39.334 38.487 -0.009 0.000 1.093 397 N HN 0.199 nan 8.380 nan 0.000 0.515 398 R N -0.138 120.360 120.500 -0.004 0.000 2.740 398 R HA 0.442 4.782 4.340 -0.000 0.000 0.282 398 R C 0.552 176.853 176.300 0.000 0.000 0.969 398 R CA -0.570 55.528 56.100 -0.002 0.000 0.918 398 R CB 1.610 31.908 30.300 -0.003 0.000 1.175 398 R HN -0.025 nan 8.270 nan 0.000 0.464 399 M N 0.054 119.653 119.600 -0.002 0.000 2.818 399 M HA -0.268 4.212 4.480 -0.000 0.000 0.194 399 M C -0.731 175.568 176.300 -0.000 0.000 0.586 399 M CA 1.152 56.451 55.300 -0.003 0.000 0.664 399 M CB -1.232 31.368 32.600 0.000 0.000 2.418 399 M HN 0.505 nan 8.290 nan 0.000 0.517 400 K N 0.895 121.295 120.400 -0.000 0.000 2.401 400 K HA 0.336 4.656 4.320 -0.000 0.000 0.278 400 K C 1.265 177.864 176.600 -0.000 0.000 1.018 400 K CA 0.806 57.094 56.287 0.001 0.000 0.981 400 K CB 0.513 33.013 32.500 0.000 0.000 0.933 400 K HN 0.455 nan 8.250 nan 0.000 0.477 401 G N 1.721 110.521 108.800 0.001 0.000 2.176 401 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.252 401 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.252 401 G C 0.105 175.004 174.900 -0.002 0.000 1.024 401 G CA 0.684 45.784 45.100 -0.000 0.000 0.755 401 G HN 0.736 nan 8.290 nan 0.000 0.507 402 T N -3.695 110.858 114.554 -0.002 0.000 2.907 402 T HA 0.795 5.145 4.350 -0.000 0.000 0.290 402 T C -1.141 173.557 174.700 -0.003 0.000 1.066 402 T CA -0.861 61.236 62.100 -0.006 0.000 1.012 402 T CB 2.913 71.775 68.868 -0.010 0.000 1.184 402 T HN -0.070 nan 8.240 nan 0.000 0.522 403 P HA 0.087 nan 4.420 nan 0.000 0.230 403 P C 1.217 178.519 177.300 0.003 0.000 1.158 403 P CA 0.608 63.707 63.100 -0.002 0.000 0.769 403 P CB -0.234 31.462 31.700 -0.006 0.000 0.807 404 A N -0.373 122.446 122.820 -0.001 0.000 2.123 404 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 404 A C 1.534 179.130 177.584 0.020 0.000 1.152 404 A CA -0.008 52.034 52.037 0.007 0.000 0.728 404 A CB -0.902 18.093 19.000 -0.009 0.000 0.814 404 A HN 0.228 nan 8.150 nan 0.000 0.464 405 Q N -0.263 119.545 119.800 0.014 0.000 2.263 405 Q HA 0.304 4.644 4.340 -0.000 0.000 0.289 405 Q C 1.144 177.157 176.000 0.022 0.000 1.061 405 Q CA 0.813 56.626 55.803 0.016 0.000 0.927 405 Q CB -0.016 28.728 28.738 0.010 0.000 1.154 405 Q HN 0.874 nan 8.270 nan 0.000 0.378 406 G N 3.802 112.618 108.800 0.027 0.000 2.196 406 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.268 406 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.268 406 G C 0.698 175.622 174.900 0.041 0.000 0.975 406 G CA 0.601 45.719 45.100 0.030 0.000 0.648 406 G HN 0.630 nan 8.290 nan 0.000 0.538 407 K N -0.795 119.634 120.400 0.050 0.000 2.391 407 K HA 0.361 4.681 4.320 -0.000 0.000 0.197 407 K C 0.728 177.390 176.600 0.104 0.000 1.087 407 K CA 0.445 56.771 56.287 0.066 0.000 1.012 407 K CB 1.093 33.624 32.500 0.052 0.000 0.925 407 K HN 0.340 nan 8.250 nan 0.000 0.547 408 V N 2.490 122.470 119.914 0.111 0.000 2.417 408 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 408 V C -0.270 175.920 176.094 0.160 0.000 1.024 408 V CA -0.797 61.608 62.300 0.174 0.000 0.861 408 V CB 1.651 33.580 31.823 0.176 0.000 0.985 408 V HN 0.032 nan 8.190 nan 0.000 0.436 409 R N 3.389 124.009 120.500 0.201 0.000 2.358 409 R HA 0.804 5.144 4.340 -0.000 0.000 0.309 409 R C -0.532 175.855 176.300 0.145 0.000 1.026 409 R CA -0.153 56.041 56.100 0.157 0.000 0.909 409 R CB 1.864 32.261 30.300 0.163 0.000 1.153 409 R HN 0.862 nan 8.270 nan 0.000 0.515 410 A N 2.237 125.092 122.820 0.059 0.000 2.587 410 A HA 0.550 4.870 4.320 -0.000 0.000 0.293 410 A C -1.507 176.038 177.584 -0.065 0.000 1.087 410 A CA -0.851 51.158 52.037 -0.048 0.000 0.692 410 A CB 1.696 20.660 19.000 -0.060 0.000 1.291 410 A HN 0.425 nan 8.150 nan 0.000 0.407 411 K N 0.906 121.234 120.400 -0.121 0.000 2.172 411 K HA 0.582 4.902 4.320 -0.000 0.000 0.276 411 K C 0.345 176.888 176.600 -0.095 0.000 1.013 411 K CA 0.392 56.601 56.287 -0.129 0.000 0.913 411 K CB 0.757 33.153 32.500 -0.174 0.000 1.055 411 K HN 0.876 nan 8.250 nan 0.000 0.461 412 T N 0.081 114.585 114.554 -0.084 0.000 2.902 412 T HA 0.766 5.116 4.350 -0.000 0.000 0.280 412 T C 0.278 174.934 174.700 -0.075 0.000 0.992 412 T CA -0.758 61.305 62.100 -0.061 0.000 1.015 412 T CB 1.562 70.398 68.868 -0.053 0.000 1.044 412 T HN 0.559 nan 8.240 nan 0.000 0.520 413 G N -0.688 108.074 108.800 -0.063 0.000 2.731 413 G HA2 0.547 4.507 3.960 -0.000 0.000 0.298 413 G HA3 0.547 4.507 3.960 -0.000 0.000 0.298 413 G C -1.303 173.555 174.900 -0.071 0.000 1.424 413 G CA -0.766 44.290 45.100 -0.073 0.000 1.029 413 G HN 0.887 nan 8.290 nan 0.000 0.518 414 S N 1.005 116.651 115.700 -0.090 0.000 2.616 414 S HA 0.648 5.118 4.470 -0.000 0.000 0.276 414 S C -0.922 173.613 174.600 -0.108 0.000 1.159 414 S CA -0.540 57.609 58.200 -0.085 0.000 1.000 414 S CB 0.210 63.362 63.200 -0.081 0.000 1.117 414 S HN 0.629 nan 8.310 nan 0.000 0.464 415 L N 1.766 122.942 121.223 -0.079 0.000 2.301 415 L HA 0.609 4.949 4.340 -0.000 0.000 0.249 415 L C 0.123 177.005 176.870 0.021 0.000 1.069 415 L CA -1.222 53.584 54.840 -0.057 0.000 0.865 415 L CB 1.940 43.932 42.059 -0.112 0.000 1.467 415 L HN 0.509 nan 8.230 nan 0.000 0.419 416 S N 0.668 116.416 115.700 0.080 0.000 2.546 416 S HA 0.112 4.582 4.470 -0.000 0.000 0.290 416 S C 0.718 175.370 174.600 0.086 0.000 1.262 416 S CA 0.869 59.105 58.200 0.060 0.000 1.083 416 S CB 0.157 63.377 63.200 0.034 0.000 0.859 416 S HN 0.963 nan 8.310 nan 0.000 0.495 417 T N -0.750 113.828 114.554 0.040 0.000 6.885 417 T HA -0.210 4.140 4.350 -0.000 0.000 0.286 417 T C -0.019 174.708 174.700 0.044 0.000 2.119 417 T CA 1.034 63.155 62.100 0.036 0.000 3.358 417 T CB -2.286 66.600 68.868 0.029 0.000 1.764 417 T HN 0.441 nan 8.240 nan 0.000 1.202 418 V N 0.422 120.362 119.914 0.042 0.000 2.656 418 V HA 0.858 4.978 4.120 -0.000 0.000 0.307 418 V C -0.051 176.035 176.094 -0.014 0.000 1.051 418 V CA -0.147 62.163 62.300 0.018 0.000 0.893 418 V CB 2.024 33.856 31.823 0.015 0.000 0.999 418 V HN 0.623 nan 8.190 nan 0.000 0.426 419 S N 2.528 118.217 115.700 -0.019 0.000 2.536 419 S HA 0.868 5.338 4.470 -0.000 0.000 0.271 419 S C -0.809 173.778 174.600 -0.021 0.000 1.134 419 S CA -0.020 58.163 58.200 -0.028 0.000 0.897 419 S CB 1.855 65.037 63.200 -0.031 0.000 1.094 419 S HN 1.301 nan 8.310 nan 0.000 0.473 420 S N 3.150 118.837 115.700 -0.021 0.000 2.579 420 S HA 0.864 5.334 4.470 -0.000 0.000 0.272 420 S C -1.832 172.772 174.600 0.008 0.000 1.141 420 S CA -0.803 57.395 58.200 -0.005 0.000 0.843 420 S CB 1.633 64.823 63.200 -0.016 0.000 1.122 420 S HN 0.964 nan 8.310 nan 0.000 0.468 421 L N 1.381 122.634 121.223 0.049 0.000 2.596 421 L HA 0.724 5.064 4.340 -0.000 0.000 0.265 421 L C -1.462 175.458 176.870 0.083 0.000 0.962 421 L CA 0.251 55.147 54.840 0.094 0.000 0.891 421 L CB 1.805 43.976 42.059 0.186 0.000 1.248 421 L HN 0.893 nan 8.230 nan 0.000 0.410 422 S N 2.820 118.433 115.700 -0.144 0.000 2.557 422 S HA 1.015 5.485 4.470 -0.000 0.000 0.291 422 S C -0.027 174.185 174.600 -0.646 0.000 1.116 422 S CA -0.039 57.902 58.200 -0.431 0.000 0.992 422 S CB 1.769 64.823 63.200 -0.242 0.000 1.028 422 S HN 1.118 nan 8.310 nan 0.000 0.484 423 G N 1.568 109.640 108.800 -1.213 0.000 2.498 423 G HA2 0.414 4.374 3.960 -0.000 0.000 0.181 423 G HA3 0.414 4.374 3.960 -0.000 0.000 0.181 423 G C -2.344 171.909 174.900 -1.079 0.000 1.169 423 G CA -0.538 43.989 45.100 -0.956 0.000 0.992 423 G HN 0.492 nan 8.290 nan 0.000 0.490 424 Y N 0.397 120.631 120.300 -0.110 0.000 2.485 424 Y HA 0.759 5.309 4.550 -0.000 0.000 0.345 424 Y C 0.404 176.484 175.900 0.300 0.000 0.998 424 Y CA -0.343 57.831 58.100 0.124 0.000 1.059 424 Y CB 2.573 41.116 38.460 0.138 0.000 1.234 424 Y HN 0.809 nan 8.280 nan 0.000 0.461 425 A N 1.985 125.083 122.820 0.463 0.000 2.335 425 A HA 0.508 4.828 4.320 -0.000 0.000 0.304 425 A C -0.971 176.742 177.584 0.215 0.000 1.118 425 A CA -0.778 51.448 52.037 0.316 0.000 0.757 425 A CB 0.872 20.013 19.000 0.235 0.000 1.188 425 A HN 0.788 nan 8.150 nan 0.000 0.460 426 E N 2.184 122.478 120.200 0.158 0.000 2.044 426 E HA 0.230 4.580 4.350 -0.000 0.000 0.282 426 E C 1.194 177.841 176.600 0.077 0.000 1.031 426 E CA 0.242 56.709 56.400 0.112 0.000 0.824 426 E CB 0.650 30.405 29.700 0.091 0.000 1.076 426 E HN 0.757 nan 8.360 nan 0.000 0.395 427 T N 1.972 116.567 114.554 0.069 0.000 3.007 427 T HA -0.133 4.217 4.350 -0.000 0.000 0.270 427 T C 1.359 176.079 174.700 0.034 0.000 1.107 427 T CA 0.914 63.041 62.100 0.045 0.000 1.118 427 T CB -0.066 68.827 68.868 0.042 0.000 0.889 427 T HN 0.778 nan 8.240 nan 0.000 0.506 428 K N 0.179 120.602 120.400 0.038 0.000 3.507 428 K HA -0.255 4.065 4.320 -0.000 0.000 0.287 428 K C 0.784 177.398 176.600 0.024 0.000 0.922 428 K CA 1.590 57.895 56.287 0.029 0.000 1.216 428 K CB -2.003 30.511 32.500 0.024 0.000 1.428 428 K HN 0.694 nan 8.250 nan 0.000 0.453 429 S N -0.484 115.230 115.700 0.023 0.000 2.699 429 S HA 0.502 4.972 4.470 -0.000 0.000 0.251 429 S C 0.718 175.332 174.600 0.022 0.000 1.179 429 S CA 0.630 58.841 58.200 0.019 0.000 1.200 429 S CB 0.760 63.969 63.200 0.015 0.000 0.848 429 S HN 0.869 nan 8.310 nan 0.000 0.472 430 G N 2.359 111.174 108.800 0.026 0.000 2.952 430 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.226 430 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.226 430 G C -0.109 174.814 174.900 0.038 0.000 1.462 430 G CA -0.340 44.778 45.100 0.028 0.000 1.157 430 G HN 0.845 nan 8.290 nan 0.000 0.544 431 K N 1.006 121.431 120.400 0.043 0.000 2.174 431 K HA 0.387 4.706 4.320 -0.000 0.000 0.247 431 K C 0.069 176.714 176.600 0.075 0.000 1.056 431 K CA 0.816 57.137 56.287 0.057 0.000 0.799 431 K CB 0.343 32.878 32.500 0.058 0.000 1.066 431 K HN 0.680 nan 8.250 nan 0.000 0.530 432 K N 0.150 120.610 120.400 0.100 0.000 2.464 432 K HA 0.367 4.687 4.320 -0.000 0.000 0.253 432 K C -1.555 175.152 176.600 0.178 0.000 0.933 432 K CA -0.655 55.717 56.287 0.141 0.000 0.801 432 K CB 1.315 33.899 32.500 0.140 0.000 1.271 432 K HN 0.567 nan 8.250 nan 0.000 0.430 433 L N 3.567 124.921 121.223 0.218 0.000 2.346 433 L HA 0.540 4.880 4.340 -0.000 0.000 0.276 433 L C -0.641 176.416 176.870 0.312 0.000 1.006 433 L CA -1.379 53.601 54.840 0.233 0.000 0.817 433 L CB 1.992 44.165 42.059 0.189 0.000 1.272 433 L HN 0.324 nan 8.230 nan 0.000 0.421 434 V N 3.345 123.407 119.914 0.247 0.000 2.439 434 V HA 0.513 4.633 4.120 -0.000 0.000 0.282 434 V C -0.441 175.743 176.094 0.151 0.000 1.039 434 V CA -0.393 61.978 62.300 0.119 0.000 0.913 434 V CB 1.210 33.108 31.823 0.125 0.000 0.983 434 V HN 0.593 nan 8.190 nan 0.000 0.460 435 F N 2.085 122.001 119.950 -0.057 0.000 2.645 435 F HA 0.844 5.371 4.527 -0.000 0.000 0.310 435 F C -0.678 175.098 175.800 -0.041 0.000 1.102 435 F CA -0.949 57.038 58.000 -0.021 0.000 0.952 435 F CB 2.030 41.030 39.000 -0.000 0.000 1.326 435 F HN 0.329 nan 8.300 nan 0.000 0.456 436 S N 2.695 118.506 115.700 0.185 0.000 2.736 436 S HA 0.720 5.190 4.470 -0.000 0.000 0.285 436 S C -1.483 173.234 174.600 0.195 0.000 1.163 436 S CA -0.487 57.764 58.200 0.084 0.000 1.025 436 S CB 0.622 63.821 63.200 -0.003 0.000 1.030 436 S HN 0.677 nan 8.310 nan 0.000 0.486 437 I N 5.717 126.412 120.570 0.208 0.000 2.354 437 I HA 0.423 4.593 4.170 -0.000 0.000 0.286 437 I C -0.826 175.335 176.117 0.073 0.000 1.007 437 I CA -0.535 60.850 61.300 0.142 0.000 1.167 437 I CB 1.343 39.424 38.000 0.135 0.000 1.320 437 I HN 0.426 nan 8.210 nan 0.000 0.458 438 L N 7.565 128.821 121.223 0.055 0.000 2.305 438 L HA 0.590 4.930 4.340 -0.000 0.000 0.284 438 L C -0.760 176.123 176.870 0.021 0.000 1.013 438 L CA -0.562 54.297 54.840 0.031 0.000 0.819 438 L CB 1.422 43.501 42.059 0.033 0.000 1.227 438 L HN 0.448 nan 8.230 nan 0.000 0.417 439 L N 4.353 125.579 121.223 0.005 0.000 2.343 439 L HA 0.510 4.850 4.340 -0.000 0.000 0.278 439 L C -0.512 176.361 176.870 0.005 0.000 0.996 439 L CA -0.213 54.625 54.840 -0.004 0.000 0.831 439 L CB 1.640 43.682 42.059 -0.029 0.000 1.232 439 L HN 0.677 nan 8.230 nan 0.000 0.413 440 N N 0.978 119.688 118.700 0.017 0.000 2.453 440 N HA 0.569 5.309 4.740 -0.000 0.000 0.290 440 N C 0.521 176.046 175.510 0.025 0.000 1.250 440 N CA -0.380 52.686 53.050 0.027 0.000 0.815 440 N CB 1.998 40.508 38.487 0.038 0.000 1.381 440 N HN 0.752 nan 8.380 nan 0.000 0.510 441 G N 0.278 109.096 108.800 0.030 0.000 2.179 441 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.257 441 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.257 441 G C -0.228 174.683 174.900 0.018 0.000 1.010 441 G CA 0.173 45.286 45.100 0.023 0.000 0.736 441 G HN 0.293 nan 8.290 nan 0.000 0.513 442 L N -0.223 121.010 121.223 0.016 0.000 2.371 442 L HA 0.420 4.760 4.340 -0.000 0.000 0.272 442 L C 2.096 178.974 176.870 0.013 0.000 1.124 442 L CA -0.896 53.951 54.840 0.012 0.000 0.816 442 L CB 0.806 42.867 42.059 0.004 0.000 1.129 442 L HN 0.034 nan 8.230 nan 0.000 0.448 443 I N 0.330 120.909 120.570 0.015 0.000 2.353 443 I HA -0.093 4.077 4.170 -0.000 0.000 0.248 443 I C 0.499 176.622 176.117 0.011 0.000 1.119 443 I CA 1.263 62.570 61.300 0.013 0.000 1.417 443 I CB 0.051 38.060 38.000 0.015 0.000 1.078 443 I HN 0.645 nan 8.210 nan 0.000 0.421 444 D N 0.056 120.464 120.400 0.013 0.000 2.575 444 D HA 0.133 4.773 4.640 -0.000 0.000 0.250 444 D C 0.443 176.746 176.300 0.005 0.000 1.279 444 D CA -0.270 53.736 54.000 0.010 0.000 0.925 444 D CB 1.481 42.289 40.800 0.014 0.000 1.261 444 D HN -0.013 nan 8.370 nan 0.000 0.567 445 E N 1.838 122.037 120.200 -0.001 0.000 2.209 445 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 445 E C 1.327 177.917 176.600 -0.015 0.000 0.993 445 E CA 0.902 57.296 56.400 -0.010 0.000 0.819 445 E CB 0.246 29.937 29.700 -0.014 0.000 0.745 445 E HN 0.464 nan 8.360 nan 0.000 0.477 446 E N 1.040 121.235 120.200 -0.009 0.000 2.160 446 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 446 E C 1.189 177.787 176.600 -0.003 0.000 0.991 446 E CA 1.040 57.435 56.400 -0.007 0.000 0.810 446 E CB -0.213 29.487 29.700 0.000 0.000 0.742 446 E HN 0.388 nan 8.360 nan 0.000 0.466 447 D N -0.243 120.161 120.400 0.006 0.000 2.269 447 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 447 D C 1.877 178.137 176.300 -0.068 0.000 0.963 447 D CA 1.031 55.042 54.000 0.019 0.000 0.864 447 D CB -0.378 40.465 40.800 0.073 0.000 0.936 447 D HN 0.283 nan 8.370 nan 0.000 0.505 448 G N 1.636 110.394 108.800 -0.070 0.000 2.448 448 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 448 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 448 G C 1.452 176.296 174.900 -0.093 0.000 1.135 448 G CA 0.477 45.516 45.100 -0.103 0.000 0.784 448 G HN 0.356 nan 8.290 nan 0.000 0.543 449 K N 0.304 120.669 120.400 -0.058 0.000 2.432 449 K HA 0.044 4.364 4.320 -0.000 0.000 0.196 449 K C 0.945 177.518 176.600 -0.044 0.000 1.038 449 K CA 1.075 57.336 56.287 -0.043 0.000 0.986 449 K CB 0.082 32.566 32.500 -0.027 0.000 0.782 449 K HN 0.101 nan 8.250 nan 0.000 0.485 450 D N 1.461 121.831 120.400 -0.051 0.000 2.240 450 D HA 0.053 4.693 4.640 -0.000 0.000 0.206 450 D C 2.046 178.305 176.300 -0.068 0.000 0.963 450 D CA 0.622 54.608 54.000 -0.023 0.000 0.863 450 D CB 0.080 40.910 40.800 0.050 0.000 0.973 450 D HN 0.235 nan 8.370 nan 0.000 0.501 451 I N 1.355 121.815 120.570 -0.183 0.000 2.315 451 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 451 I C 2.133 178.168 176.117 -0.138 0.000 1.117 451 I CA 1.048 62.210 61.300 -0.230 0.000 1.404 451 I CB -0.131 37.651 38.000 -0.362 0.000 1.071 451 I HN -0.072 nan 8.210 nan 0.000 0.419 452 E N 0.771 120.907 120.200 -0.107 0.000 2.106 452 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 452 E C 1.617 178.162 176.600 -0.092 0.000 0.984 452 E CA 1.155 57.507 56.400 -0.081 0.000 0.806 452 E CB -0.049 29.633 29.700 -0.030 0.000 0.750 452 E HN 0.438 nan 8.360 nan 0.000 0.458 453 D N 0.941 121.301 120.400 -0.067 0.000 2.117 453 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 453 D C 1.962 178.215 176.300 -0.078 0.000 0.982 453 D CA 0.991 54.956 54.000 -0.059 0.000 0.828 453 D CB -0.219 40.561 40.800 -0.033 0.000 0.967 453 D HN 0.200 nan 8.370 nan 0.000 0.464 454 Q N 0.010 119.767 119.800 -0.071 0.000 2.096 454 Q HA -0.077 4.263 4.340 -0.000 0.000 0.204 454 Q C 2.369 178.302 176.000 -0.113 0.000 0.982 454 Q CA 0.802 56.563 55.803 -0.070 0.000 0.850 454 Q CB -0.021 28.691 28.738 -0.043 0.000 0.901 454 Q HN 0.362 nan 8.270 nan 0.000 0.422 455 I N 0.226 120.706 120.570 -0.149 0.000 2.546 455 I HA -0.182 3.988 4.170 -0.000 0.000 0.255 455 I C 2.242 178.187 176.117 -0.287 0.000 1.163 455 I CA 0.537 61.710 61.300 -0.212 0.000 1.457 455 I CB -0.263 37.603 38.000 -0.223 0.000 1.092 455 I HN 0.145 nan 8.210 nan 0.000 0.434 456 A N 0.567 123.222 122.820 -0.275 0.000 1.897 456 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 456 A C 2.400 179.873 177.584 -0.185 0.000 1.181 456 A CA 1.193 53.044 52.037 -0.311 0.000 0.620 456 A CB -0.734 18.148 19.000 -0.196 0.000 0.821 456 A HN 0.204 nan 8.150 nan 0.000 0.443 457 V N 0.375 120.213 119.914 -0.126 0.000 2.343 457 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 457 V C 2.407 178.447 176.094 -0.090 0.000 1.051 457 V CA 1.983 64.233 62.300 -0.084 0.000 1.036 457 V CB -0.711 31.075 31.823 -0.062 0.000 0.654 457 V HN 0.566 nan 8.190 nan 0.000 0.451 458 I N -0.323 120.177 120.570 -0.116 0.000 2.208 458 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 458 I C 2.275 178.324 176.117 -0.113 0.000 1.097 458 I CA 1.665 62.896 61.300 -0.115 0.000 1.363 458 I CB -0.293 37.620 38.000 -0.145 0.000 1.051 458 I HN 0.271 nan 8.210 nan 0.000 0.413 459 L N 0.269 121.401 121.223 -0.151 0.000 2.156 459 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 459 L C 2.752 179.588 176.870 -0.056 0.000 1.095 459 L CA 1.051 55.818 54.840 -0.121 0.000 0.770 459 L CB -0.723 41.211 42.059 -0.209 0.000 0.914 459 L HN 0.209 nan 8.230 nan 0.000 0.439 460 A N -0.106 122.680 122.820 -0.058 0.000 2.066 460 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 460 A C 1.720 179.297 177.584 -0.011 0.000 1.157 460 A CA 1.187 53.215 52.037 -0.015 0.000 0.670 460 A CB -0.330 18.661 19.000 -0.015 0.000 0.804 460 A HN 0.398 nan 8.150 nan 0.000 0.453 461 N N 0.192 118.876 118.700 -0.027 0.000 2.322 461 N HA 0.049 4.789 4.740 -0.000 0.000 0.194 461 N C 0.263 175.764 175.510 -0.016 0.000 1.126 461 N CA 0.191 53.230 53.050 -0.020 0.000 0.845 461 N CB 0.141 38.612 38.487 -0.027 0.000 0.976 461 N HN 0.465 nan 8.380 nan 0.000 0.475 462 Q N 0.000 119.792 119.800 -0.013 0.000 2.315 462 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 462 Q CA 0.000 55.800 55.803 -0.006 0.000 1.022 462 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481