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 1yl6_1_B DATA FIRST_RESID 1 DATA SEQUENCE ARVGVLGAKG KVGATMVRAV AAADDLTLSA ELDAGDPLSL LTDGNTEVVI DATA SEQUENCE DFTHPDVVMG NLEFLIDNGI HAVVGTTGFT AERFQQVESW LVAKPNTSVL DATA SEQUENCE IAPNFAIGAV LSMHFAKQAA RFFDSAEVIE LHHPHKADAP SGTAARTAKL DATA SEQUENCE IAEARKGLPP NPDATSTSLP GARGADVDGI PVHAVRLAGL VAHQEVLFGT DATA SEQUENCE EGETLTIRHD SLDRTSFVPG VLLAVRRIAE RPGLTVGLEP LLDLH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.603 177.584 0.032 0.000 1.274 1 A CA 0.000 52.059 52.037 0.036 0.000 0.836 1 A CB 0.000 19.030 19.000 0.051 0.000 0.831 2 R N 1.367 121.884 120.500 0.029 0.000 2.248 2 R HA 0.465 4.805 4.340 0.000 0.000 0.337 2 R C -0.761 175.557 176.300 0.030 0.000 1.106 2 R CA -0.255 55.859 56.100 0.023 0.000 0.959 2 R CB 0.854 31.162 30.300 0.013 0.000 1.075 2 R HN 0.424 nan 8.270 nan 0.000 0.480 3 V N 1.956 121.890 119.914 0.033 0.000 2.472 3 V HA 0.534 4.654 4.120 0.000 0.000 0.290 3 V C 0.737 176.856 176.094 0.041 0.000 1.037 3 V CA -0.813 61.512 62.300 0.042 0.000 0.908 3 V CB 1.845 33.694 31.823 0.043 0.000 0.985 3 V HN 0.858 nan 8.190 nan 0.000 0.454 4 G N 2.756 111.586 108.800 0.050 0.000 2.461 4 G HA2 0.626 4.586 3.960 0.000 0.000 0.323 4 G HA3 0.626 4.586 3.960 0.000 0.000 0.323 4 G C -1.249 173.688 174.900 0.061 0.000 1.229 4 G CA -0.479 44.652 45.100 0.052 0.000 0.941 4 G HN 0.543 nan 8.290 nan 0.000 0.477 5 V N 2.936 122.882 119.914 0.054 0.000 2.448 5 V HA 0.441 4.562 4.120 0.000 0.000 0.295 5 V C 0.091 176.222 176.094 0.061 0.000 1.025 5 V CA -0.603 61.736 62.300 0.065 0.000 0.859 5 V CB 1.428 33.283 31.823 0.054 0.000 0.988 5 V HN 0.617 nan 8.190 nan 0.000 0.431 6 L N 3.076 124.346 121.223 0.079 0.000 2.360 6 L HA 0.677 5.017 4.340 0.000 0.000 0.271 6 L C 1.194 178.109 176.870 0.075 0.000 1.057 6 L CA 0.016 54.897 54.840 0.068 0.000 0.803 6 L CB 1.309 43.413 42.059 0.074 0.000 1.207 6 L HN 0.922 nan 8.230 nan 0.000 0.445 7 G N 1.970 110.802 108.800 0.054 0.000 2.386 7 G HA2 -0.230 3.731 3.960 0.000 0.000 0.295 7 G HA3 -0.230 3.731 3.960 0.000 0.000 0.295 7 G C 0.594 175.521 174.900 0.045 0.000 0.979 7 G CA 0.409 45.541 45.100 0.053 0.000 1.193 7 G HN 0.918 nan 8.290 nan 0.000 0.508 8 A N -0.608 122.231 122.820 0.031 0.000 2.275 8 A HA 0.380 4.700 4.320 0.000 0.000 0.212 8 A C 1.986 179.579 177.584 0.015 0.000 1.201 8 A CA 1.391 53.443 52.037 0.025 0.000 0.843 8 A CB 0.030 19.044 19.000 0.023 0.000 0.873 8 A HN 0.537 nan 8.150 nan 0.000 0.492 9 K N -0.336 120.072 120.400 0.014 0.000 2.348 9 K HA 0.132 4.452 4.320 0.000 0.000 0.194 9 K C 1.090 177.697 176.600 0.010 0.000 1.052 9 K CA 0.307 56.599 56.287 0.009 0.000 1.004 9 K CB 0.310 32.813 32.500 0.005 0.000 0.873 9 K HN 0.388 nan 8.250 nan 0.000 0.523 10 G N 1.487 110.296 108.800 0.016 0.000 2.432 10 G HA2 -0.082 3.878 3.960 0.000 0.000 0.239 10 G HA3 -0.082 3.878 3.960 0.000 0.000 0.239 10 G C 0.246 175.149 174.900 0.005 0.000 1.291 10 G CA -0.185 44.925 45.100 0.018 0.000 0.863 10 G HN 0.112 nan 8.290 nan 0.000 0.560 11 K N 1.029 121.430 120.400 0.002 0.000 2.127 11 K HA -0.178 4.142 4.320 0.000 0.000 0.208 11 K C 2.477 179.073 176.600 -0.006 0.000 1.047 11 K CA 1.405 57.693 56.287 0.002 0.000 0.927 11 K CB -0.193 32.313 32.500 0.010 0.000 0.716 11 K HN 0.354 nan 8.250 nan 0.000 0.450 12 V N 0.370 120.236 119.914 -0.079 0.000 2.255 12 V HA -0.138 3.982 4.120 0.000 0.000 0.243 12 V C 2.410 178.430 176.094 -0.123 0.000 1.038 12 V CA 2.115 64.295 62.300 -0.200 0.000 1.008 12 V CB -1.136 30.319 31.823 -0.614 0.000 0.645 12 V HN 0.483 nan 8.190 nan 0.000 0.449 13 G N 0.129 108.880 108.800 -0.081 0.000 2.529 13 G HA2 -0.323 3.637 3.960 0.000 0.000 0.219 13 G HA3 -0.323 3.637 3.960 0.000 0.000 0.219 13 G C 1.792 176.691 174.900 -0.002 0.000 1.177 13 G CA 1.534 46.628 45.100 -0.010 0.000 0.773 13 G HN 0.638 nan 8.290 nan 0.000 0.573 14 A N -0.079 122.741 122.820 0.000 0.000 1.917 14 A HA -0.094 4.226 4.320 0.000 0.000 0.219 14 A C 2.543 180.127 177.584 -0.000 0.000 1.182 14 A CA 2.710 54.749 52.037 0.002 0.000 0.633 14 A CB -0.980 18.022 19.000 0.003 0.000 0.819 14 A HN 0.358 nan 8.150 nan 0.000 0.448 15 T N -0.269 114.288 114.554 0.006 0.000 2.770 15 T HA -0.084 4.266 4.350 0.000 0.000 0.263 15 T C 1.936 176.627 174.700 -0.015 0.000 1.039 15 T CA 1.525 63.623 62.100 -0.002 0.000 1.142 15 T CB -0.226 68.668 68.868 0.044 0.000 0.868 15 T HN 0.288 nan 8.240 nan 0.000 0.435 16 M N 1.071 120.672 119.600 0.002 0.000 2.159 16 M HA -0.007 4.473 4.480 0.000 0.000 0.263 16 M C 2.419 178.720 176.300 0.001 0.000 1.063 16 M CA 0.862 56.162 55.300 0.000 0.000 1.110 16 M CB -1.514 31.088 32.600 0.003 0.000 1.374 16 M HN 0.118 nan 8.290 nan 0.000 0.411 17 V N 0.172 120.088 119.914 0.004 0.000 2.233 17 V HA -0.299 3.822 4.120 0.000 0.000 0.247 17 V C 2.540 178.633 176.094 -0.003 0.000 1.050 17 V CA 1.799 64.102 62.300 0.005 0.000 1.010 17 V CB -0.619 31.208 31.823 0.006 0.000 0.637 17 V HN 0.423 nan 8.190 nan 0.000 0.444 18 R N -0.153 120.341 120.500 -0.010 0.000 2.115 18 R HA -0.250 4.090 4.340 0.000 0.000 0.239 18 R C 2.453 178.740 176.300 -0.022 0.000 1.133 18 R CA 1.840 57.929 56.100 -0.017 0.000 0.935 18 R CB -0.863 29.423 30.300 -0.025 0.000 0.853 18 R HN 0.554 nan 8.270 nan 0.000 0.433 19 A N 0.552 123.354 122.820 -0.031 0.000 1.884 19 A HA -0.203 4.117 4.320 0.000 0.000 0.219 19 A C 2.397 179.972 177.584 -0.015 0.000 1.197 19 A CA 2.149 54.166 52.037 -0.033 0.000 0.637 19 A CB -0.893 18.079 19.000 -0.046 0.000 0.827 19 A HN 0.186 nan 8.150 nan 0.000 0.450 20 V N -0.288 119.623 119.914 -0.005 0.000 2.343 20 V HA -0.245 3.875 4.120 0.000 0.000 0.247 20 V C 3.036 179.132 176.094 0.003 0.000 1.051 20 V CA 1.994 64.296 62.300 0.004 0.000 1.036 20 V CB -1.350 30.481 31.823 0.013 0.000 0.654 20 V HN 0.671 nan 8.190 nan 0.000 0.451 21 A N 0.220 123.039 122.820 -0.000 0.000 1.858 21 A HA -0.141 4.179 4.320 0.000 0.000 0.216 21 A C 2.421 180.003 177.584 -0.003 0.000 1.190 21 A CA 2.169 54.206 52.037 -0.001 0.000 0.617 21 A CB -0.911 18.088 19.000 -0.003 0.000 0.827 21 A HN 0.588 nan 8.150 nan 0.000 0.443 22 A N -0.466 122.350 122.820 -0.008 0.000 2.019 22 A HA 0.390 4.711 4.320 0.000 0.000 0.219 22 A C 1.476 179.056 177.584 -0.007 0.000 1.164 22 A CA 1.123 53.154 52.037 -0.009 0.000 0.644 22 A CB -0.913 18.077 19.000 -0.016 0.000 0.805 22 A HN 1.147 nan 8.150 nan 0.000 0.449 23 A N 0.146 122.963 122.820 -0.004 0.000 2.354 23 A HA 0.400 4.720 4.320 0.000 0.000 0.281 23 A C 0.574 178.160 177.584 0.003 0.000 1.174 23 A CA 0.104 52.140 52.037 -0.001 0.000 0.828 23 A CB -0.061 18.940 19.000 0.001 0.000 1.099 23 A HN 0.374 nan 8.150 nan 0.000 0.516 24 D N 1.280 121.681 120.400 0.003 0.000 2.204 24 D HA -0.226 4.414 4.640 0.000 0.000 0.189 24 D C 1.418 177.722 176.300 0.007 0.000 1.006 24 D CA 2.591 56.594 54.000 0.004 0.000 0.855 24 D CB 0.160 40.962 40.800 0.004 0.000 0.946 24 D HN 0.792 nan 8.370 nan 0.000 0.448 25 D N -0.642 119.764 120.400 0.010 0.000 2.349 25 D HA -0.041 4.600 4.640 0.000 0.000 0.215 25 D C 0.251 176.560 176.300 0.016 0.000 1.016 25 D CA 0.160 54.167 54.000 0.013 0.000 0.870 25 D CB 0.120 40.929 40.800 0.015 0.000 0.917 25 D HN 0.259 nan 8.370 nan 0.000 0.524 26 L N 1.074 122.306 121.223 0.016 0.000 2.365 26 L HA 0.388 4.728 4.340 0.000 0.000 0.273 26 L C -0.154 176.725 176.870 0.016 0.000 1.000 26 L CA -0.806 54.045 54.840 0.019 0.000 0.819 26 L CB 2.211 44.283 42.059 0.022 0.000 1.284 26 L HN -0.146 nan 8.230 nan 0.000 0.418 27 T N 0.128 114.692 114.554 0.018 0.000 2.797 27 T HA 0.487 4.837 4.350 0.000 0.000 0.279 27 T C -0.503 174.208 174.700 0.017 0.000 0.991 27 T CA -0.720 61.389 62.100 0.015 0.000 0.979 27 T CB 1.841 70.716 68.868 0.012 0.000 0.943 27 T HN 0.307 nan 8.240 nan 0.000 0.444 28 L N 4.057 125.289 121.223 0.016 0.000 2.385 28 L HA 0.373 4.713 4.340 0.000 0.000 0.281 28 L C 1.292 178.172 176.870 0.017 0.000 1.106 28 L CA 0.558 55.409 54.840 0.018 0.000 0.856 28 L CB 0.395 42.463 42.059 0.014 0.000 1.186 28 L HN 0.958 nan 8.230 nan 0.000 0.453 29 S N 3.545 119.257 115.700 0.021 0.000 2.503 29 S HA 0.605 5.075 4.470 0.000 0.000 0.215 29 S C 0.517 175.130 174.600 0.021 0.000 1.003 29 S CA 0.191 58.402 58.200 0.020 0.000 0.910 29 S CB 0.096 63.308 63.200 0.020 0.000 0.790 29 S HN 1.063 nan 8.310 nan 0.000 0.514 30 A N 0.636 123.471 122.820 0.024 0.000 2.547 30 A HA 0.631 4.951 4.320 0.000 0.000 0.298 30 A C -1.167 176.431 177.584 0.025 0.000 1.062 30 A CA -0.536 51.516 52.037 0.024 0.000 0.748 30 A CB 1.009 20.027 19.000 0.030 0.000 1.288 30 A HN 0.330 nan 8.150 nan 0.000 0.396 31 E N 3.003 123.214 120.200 0.018 0.000 2.255 31 E HA 0.591 4.941 4.350 0.000 0.000 0.245 31 E C -1.507 175.100 176.600 0.012 0.000 0.909 31 E CA -0.380 56.030 56.400 0.017 0.000 0.747 31 E CB 0.574 30.282 29.700 0.013 0.000 1.215 31 E HN 0.623 nan 8.360 nan 0.000 0.424 32 L N 3.897 125.129 121.223 0.014 0.000 2.313 32 L HA 0.535 4.876 4.340 0.000 0.000 0.283 32 L C 0.104 176.978 176.870 0.007 0.000 1.013 32 L CA -0.853 53.988 54.840 0.003 0.000 0.816 32 L CB 1.380 43.434 42.059 -0.008 0.000 1.236 32 L HN 0.546 nan 8.230 nan 0.000 0.419 33 D N 1.658 122.058 120.400 0.001 0.000 2.506 33 D HA 0.493 5.133 4.640 0.000 0.000 0.254 33 D C -0.316 175.980 176.300 -0.007 0.000 1.089 33 D CA -0.485 53.517 54.000 0.004 0.000 1.050 33 D CB 2.512 43.315 40.800 0.006 0.000 1.221 33 D HN 0.592 nan 8.370 nan 0.000 0.589 34 A N -0.839 121.978 122.820 -0.005 0.000 2.603 34 A HA 0.360 4.680 4.320 0.000 0.000 0.235 34 A C 1.176 178.747 177.584 -0.022 0.000 1.035 34 A CA 1.272 53.300 52.037 -0.015 0.000 0.755 34 A CB -0.515 18.477 19.000 -0.013 0.000 0.954 34 A HN 0.989 nan 8.150 nan 0.000 0.511 35 G N 1.712 110.493 108.800 -0.031 0.000 2.176 35 G HA2 -0.153 3.807 3.960 0.000 0.000 0.232 35 G HA3 -0.153 3.807 3.960 0.000 0.000 0.232 35 G C -0.267 174.612 174.900 -0.036 0.000 0.986 35 G CA 0.308 45.389 45.100 -0.031 0.000 0.643 35 G HN 0.862 nan 8.290 nan 0.000 0.522 36 D N 1.909 122.283 120.400 -0.042 0.000 2.217 36 D HA 0.544 5.184 4.640 0.000 0.000 0.243 36 D C -1.744 174.510 176.300 -0.078 0.000 1.054 36 D CA -1.095 52.877 54.000 -0.048 0.000 0.838 36 D CB 1.820 42.598 40.800 -0.036 0.000 1.162 36 D HN 0.157 nan 8.370 nan 0.000 0.472 37 P HA 0.121 nan 4.420 nan 0.000 0.271 37 P C 0.727 177.914 177.300 -0.188 0.000 1.218 37 P CA -0.302 62.720 63.100 -0.131 0.000 0.780 37 P CB 1.215 32.862 31.700 -0.090 0.000 0.901 38 L N 1.389 122.393 121.223 -0.365 0.000 2.395 38 L HA -0.113 4.227 4.340 0.000 0.000 0.218 38 L C 2.468 179.125 176.870 -0.354 0.000 1.130 38 L CA 1.108 55.584 54.840 -0.607 0.000 0.826 38 L CB -0.703 40.511 42.059 -1.409 0.000 0.941 38 L HN 0.431 nan 8.230 nan 0.000 0.451 39 S N 0.274 115.890 115.700 -0.140 0.000 2.419 39 S HA -0.172 4.298 4.470 0.000 0.000 0.235 39 S C 1.875 176.531 174.600 0.093 0.000 1.019 39 S CA 0.857 59.125 58.200 0.113 0.000 0.982 39 S CB -0.664 62.573 63.200 0.061 0.000 0.789 39 S HN 0.423 nan 8.310 nan 0.000 0.490 40 L N 0.550 121.790 121.223 0.027 0.000 2.127 40 L HA -0.115 4.225 4.340 0.000 0.000 0.211 40 L C 2.487 179.393 176.870 0.060 0.000 1.089 40 L CA 1.166 56.024 54.840 0.030 0.000 0.757 40 L CB -0.907 41.154 42.059 0.003 0.000 0.899 40 L HN 0.350 nan 8.230 nan 0.000 0.434 41 L N -0.424 120.863 121.223 0.107 0.000 2.027 41 L HA -0.174 4.166 4.340 0.000 0.000 0.206 41 L C 2.831 179.757 176.870 0.094 0.000 1.074 41 L CA 1.962 56.874 54.840 0.122 0.000 0.745 41 L CB -1.060 41.122 42.059 0.205 0.000 0.898 41 L HN 0.406 nan 8.230 nan 0.000 0.433 42 T N -4.365 110.260 114.554 0.118 0.000 2.942 42 T HA -0.097 4.253 4.350 0.000 0.000 0.265 42 T C 1.457 176.180 174.700 0.038 0.000 1.062 42 T CA 0.877 63.008 62.100 0.052 0.000 1.139 42 T CB -0.363 68.528 68.868 0.038 0.000 0.883 42 T HN 0.145 nan 8.240 nan 0.000 0.468 43 D N 2.158 122.589 120.400 0.050 0.000 2.182 43 D HA 0.000 4.641 4.640 0.000 0.000 0.201 43 D C 2.007 178.320 176.300 0.021 0.000 0.986 43 D CA 1.396 55.414 54.000 0.031 0.000 0.847 43 D CB -0.651 40.167 40.800 0.030 0.000 0.942 43 D HN 0.628 nan 8.370 nan 0.000 0.467 44 G N -0.662 108.153 108.800 0.024 0.000 3.337 44 G HA2 -0.014 3.946 3.960 0.000 0.000 0.246 44 G HA3 -0.014 3.946 3.960 0.000 0.000 0.246 44 G C 0.004 174.912 174.900 0.012 0.000 1.131 44 G CA -0.352 44.759 45.100 0.017 0.000 0.773 44 G HN 0.153 nan 8.290 nan 0.000 0.544 45 N N 0.489 119.193 118.700 0.008 0.000 2.756 45 N HA -0.141 4.599 4.740 0.000 0.000 0.248 45 N C -0.455 175.052 175.510 -0.005 0.000 1.062 45 N CA 0.704 53.751 53.050 -0.004 0.000 0.696 45 N CB -1.238 37.247 38.487 -0.004 0.000 0.946 45 N HN 0.209 nan 8.380 nan 0.000 0.548 46 T N 0.580 115.135 114.554 0.001 0.000 2.779 46 T HA 0.101 4.451 4.350 0.000 0.000 0.296 46 T C 1.473 176.156 174.700 -0.028 0.000 0.938 46 T CA 0.085 62.188 62.100 0.004 0.000 1.119 46 T CB 1.319 70.204 68.868 0.029 0.000 0.891 46 T HN 0.200 nan 8.240 nan 0.000 0.526 47 E N 1.915 122.098 120.200 -0.029 0.000 2.057 47 E HA 0.066 4.417 4.350 0.000 0.000 0.190 47 E C 0.359 176.920 176.600 -0.066 0.000 0.969 47 E CA 0.456 56.806 56.400 -0.083 0.000 0.812 47 E CB 0.352 30.032 29.700 -0.033 0.000 0.777 47 E HN 0.391 nan 8.360 nan 0.000 0.455 48 V N 0.971 120.907 119.914 0.038 0.000 2.715 48 V HA 0.418 4.538 4.120 0.000 0.000 0.310 48 V C -0.371 175.772 176.094 0.081 0.000 1.054 48 V CA -0.985 61.374 62.300 0.099 0.000 0.928 48 V CB 2.176 34.080 31.823 0.135 0.000 1.007 48 V HN -0.137 nan 8.190 nan 0.000 0.437 49 V N 3.922 123.894 119.914 0.097 0.000 2.656 49 V HA 0.511 4.631 4.120 0.000 0.000 0.307 49 V C -0.372 175.780 176.094 0.097 0.000 1.051 49 V CA -0.472 61.884 62.300 0.093 0.000 0.893 49 V CB 2.065 33.947 31.823 0.099 0.000 0.999 49 V HN 0.699 nan 8.190 nan 0.000 0.426 50 I N 3.944 124.575 120.570 0.101 0.000 2.342 50 I HA 0.395 4.565 4.170 0.000 0.000 0.291 50 I C -0.632 175.576 176.117 0.151 0.000 1.010 50 I CA 0.034 61.411 61.300 0.129 0.000 1.308 50 I CB 1.268 39.358 38.000 0.150 0.000 1.400 50 I HN 0.553 nan 8.210 nan 0.000 0.488 51 D N 6.006 126.465 120.400 0.099 0.000 2.593 51 D HA 0.355 4.995 4.640 0.000 0.000 0.251 51 D C -0.634 175.638 176.300 -0.046 0.000 1.140 51 D CA -0.291 53.760 54.000 0.084 0.000 0.855 51 D CB 1.128 41.961 40.800 0.055 0.000 1.267 51 D HN 0.285 nan 8.370 nan 0.000 0.532 52 F N 0.846 120.809 119.950 0.021 0.000 2.825 52 F HA 0.120 4.647 4.527 0.000 0.000 0.322 52 F C 0.860 176.673 175.800 0.022 0.000 1.127 52 F CA -0.362 57.644 58.000 0.010 0.000 1.164 52 F CB 0.408 39.377 39.000 -0.051 0.000 1.101 52 F HN 0.143 nan 8.300 nan 0.000 0.529 53 T N -1.885 112.771 114.554 0.170 0.000 2.939 53 T HA -0.086 4.264 4.350 0.000 0.000 0.319 53 T C 0.195 174.966 174.700 0.119 0.000 1.082 53 T CA -0.219 61.960 62.100 0.131 0.000 1.133 53 T CB 0.314 69.241 68.868 0.098 0.000 1.019 53 T HN 0.304 nan 8.240 nan 0.000 0.548 54 H N 3.546 122.637 119.070 0.035 0.000 3.190 54 H HA -0.024 4.532 4.556 0.000 0.000 0.308 54 H C -1.583 173.733 175.328 -0.021 0.000 0.972 54 H CA -0.361 55.693 56.048 0.009 0.000 1.349 54 H CB 0.265 30.027 29.762 -0.000 0.000 1.267 54 H HN 0.357 nan 8.280 nan 0.000 0.584 55 P HA -0.192 nan 4.420 nan 0.000 0.216 55 P C 0.986 178.193 177.300 -0.156 0.000 1.150 55 P CA 1.686 64.579 63.100 -0.344 0.000 0.843 55 P CB 0.248 31.683 31.700 -0.442 0.000 0.787 56 D N -1.013 119.432 120.400 0.075 0.000 2.182 56 D HA -0.119 4.521 4.640 0.000 0.000 0.201 56 D C 1.744 178.083 176.300 0.064 0.000 0.986 56 D CA 1.398 55.474 54.000 0.126 0.000 0.847 56 D CB -0.410 40.535 40.800 0.243 0.000 0.942 56 D HN 0.196 nan 8.370 nan 0.000 0.467 57 V N -2.260 117.701 119.914 0.078 0.000 3.644 57 V HA 0.046 4.166 4.120 0.000 0.000 0.267 57 V C 2.113 178.228 176.094 0.035 0.000 1.277 57 V CA 0.122 62.450 62.300 0.047 0.000 1.096 57 V CB -0.091 31.763 31.823 0.052 0.000 0.828 57 V HN -0.012 nan 8.190 nan 0.000 0.446 58 V N -0.257 119.665 119.914 0.012 0.000 2.407 58 V HA -0.177 3.943 4.120 0.000 0.000 0.248 58 V C 2.758 178.909 176.094 0.095 0.000 1.055 58 V CA 2.162 64.484 62.300 0.036 0.000 1.049 58 V CB -1.023 30.784 31.823 -0.028 0.000 0.662 58 V HN 0.404 nan 8.190 nan 0.000 0.455 59 M N 1.319 120.961 119.600 0.071 0.000 2.099 59 M HA -0.006 4.474 4.480 0.000 0.000 0.262 59 M C 2.471 178.895 176.300 0.206 0.000 1.067 59 M CA 2.114 57.540 55.300 0.211 0.000 1.124 59 M CB -1.964 30.725 32.600 0.149 0.000 1.353 59 M HN 0.454 nan 8.290 nan 0.000 0.410 60 G N 0.446 109.303 108.800 0.096 0.000 2.475 60 G HA2 -0.258 3.702 3.960 0.000 0.000 0.220 60 G HA3 -0.258 3.702 3.960 0.000 0.000 0.220 60 G C 1.426 176.330 174.900 0.008 0.000 1.125 60 G CA 1.336 46.451 45.100 0.025 0.000 0.755 60 G HN 0.579 nan 8.290 nan 0.000 0.565 61 N N -0.028 118.701 118.700 0.048 0.000 2.109 61 N HA 0.034 4.774 4.740 0.000 0.000 0.188 61 N C 2.170 177.752 175.510 0.119 0.000 1.034 61 N CA 0.545 53.641 53.050 0.076 0.000 0.846 61 N CB -0.199 38.336 38.487 0.079 0.000 1.010 61 N HN 0.184 nan 8.380 nan 0.000 0.425 62 L N 1.582 122.893 121.223 0.145 0.000 2.021 62 L HA -0.255 4.085 4.340 0.000 0.000 0.215 62 L C 2.559 179.430 176.870 0.001 0.000 1.074 62 L CA 1.441 56.392 54.840 0.185 0.000 0.760 62 L CB -0.395 41.899 42.059 0.392 0.000 0.889 62 L HN 0.299 nan 8.230 nan 0.000 0.433 63 E N -0.463 119.521 120.200 -0.360 0.000 2.070 63 E HA -0.305 4.045 4.350 0.000 0.000 0.197 63 E C 2.126 178.506 176.600 -0.365 0.000 1.004 63 E CA 1.855 57.709 56.400 -0.911 0.000 0.805 63 E CB -0.183 28.755 29.700 -1.269 0.000 0.744 63 E HN 0.407 nan 8.360 nan 0.000 0.451 64 F N 1.196 120.979 119.950 -0.278 0.000 2.095 64 F HA -0.199 4.328 4.527 0.000 0.000 0.298 64 F C 1.968 177.700 175.800 -0.113 0.000 1.104 64 F CA 1.488 59.386 58.000 -0.169 0.000 1.232 64 F CB -0.229 38.706 39.000 -0.110 0.000 0.987 64 F HN -0.016 nan 8.300 nan 0.000 0.475 65 L N -0.140 121.076 121.223 -0.011 0.000 2.046 65 L HA -0.229 4.111 4.340 0.000 0.000 0.208 65 L C 2.459 179.254 176.870 -0.125 0.000 1.077 65 L CA 1.497 56.296 54.840 -0.068 0.000 0.747 65 L CB -0.856 41.252 42.059 0.081 0.000 0.896 65 L HN 0.191 nan 8.230 nan 0.000 0.432 66 I N 0.007 120.531 120.570 -0.076 0.000 2.163 66 I HA -0.297 3.873 4.170 0.000 0.000 0.240 66 I C 2.244 178.293 176.117 -0.114 0.000 1.081 66 I CA 1.485 62.764 61.300 -0.034 0.000 1.353 66 I CB -0.371 37.665 38.000 0.059 0.000 1.054 66 I HN 0.221 nan 8.210 nan 0.000 0.407 67 D N 1.099 121.373 120.400 -0.210 0.000 2.157 67 D HA -0.234 4.406 4.640 0.000 0.000 0.191 67 D C 1.588 177.749 176.300 -0.232 0.000 1.004 67 D CA 1.483 55.348 54.000 -0.226 0.000 0.854 67 D CB -0.105 40.520 40.800 -0.293 0.000 0.936 67 D HN 0.259 nan 8.370 nan 0.000 0.446 68 N N -0.837 117.662 118.700 -0.336 0.000 2.314 68 N HA 0.116 4.856 4.740 0.000 0.000 0.200 68 N C 0.782 176.168 175.510 -0.206 0.000 1.135 68 N CA 0.751 53.610 53.050 -0.317 0.000 0.835 68 N CB 0.929 39.105 38.487 -0.517 0.000 0.989 68 N HN 0.280 nan 8.380 nan 0.000 0.478 69 G N 1.634 110.344 108.800 -0.150 0.000 2.273 69 G HA2 -0.279 3.681 3.960 0.000 0.000 0.280 69 G HA3 -0.279 3.681 3.960 0.000 0.000 0.280 69 G C -0.060 174.735 174.900 -0.174 0.000 1.047 69 G CA -0.090 44.943 45.100 -0.113 0.000 0.869 69 G HN 0.359 nan 8.290 nan 0.000 0.502 70 I N 1.220 121.702 120.570 -0.146 0.000 2.307 70 I HA 0.254 4.424 4.170 0.000 0.000 0.289 70 I C 1.022 177.126 176.117 -0.021 0.000 1.021 70 I CA -0.941 60.276 61.300 -0.138 0.000 1.224 70 I CB 0.478 38.432 38.000 -0.077 0.000 1.376 70 I HN 0.226 nan 8.210 nan 0.000 0.470 71 H N 4.876 123.958 119.070 0.020 0.000 3.016 71 H HA 0.305 4.861 4.556 0.000 0.000 0.345 71 H C 0.172 175.529 175.328 0.048 0.000 1.066 71 H CA -0.494 55.575 56.048 0.034 0.000 1.390 71 H CB 0.578 30.360 29.762 0.033 0.000 1.344 71 H HN 0.700 nan 8.280 nan 0.000 0.605 72 A N 3.214 126.147 122.820 0.188 0.000 2.385 72 A HA 0.398 4.719 4.320 0.000 0.000 0.290 72 A C -0.817 176.830 177.584 0.106 0.000 1.094 72 A CA -0.692 51.423 52.037 0.131 0.000 0.729 72 A CB 0.840 19.915 19.000 0.125 0.000 1.194 72 A HN 0.472 nan 8.150 nan 0.000 0.442 73 V N 3.647 123.619 119.914 0.096 0.000 2.368 73 V HA 0.353 4.473 4.120 0.000 0.000 0.266 73 V C -0.076 176.024 176.094 0.011 0.000 1.045 73 V CA -0.297 62.063 62.300 0.098 0.000 0.899 73 V CB 0.888 32.764 31.823 0.088 0.000 1.006 73 V HN 0.603 nan 8.190 nan 0.000 0.470 74 V N 3.967 123.889 119.914 0.014 0.000 2.459 74 V HA 0.632 4.752 4.120 0.000 0.000 0.295 74 V C 1.053 177.003 176.094 -0.239 0.000 1.029 74 V CA 0.087 62.303 62.300 -0.140 0.000 0.874 74 V CB 1.360 33.175 31.823 -0.014 0.000 0.985 74 V HN 0.827 nan 8.190 nan 0.000 0.438 75 G N 2.121 110.389 108.800 -0.888 0.000 2.944 75 G HA2 0.071 4.031 3.960 0.000 0.000 0.220 75 G HA3 0.071 4.031 3.960 0.000 0.000 0.220 75 G C 0.587 175.280 174.900 -0.345 0.000 1.100 75 G CA 0.078 44.624 45.100 -0.923 0.000 0.780 75 G HN 0.612 nan 8.290 nan 0.000 0.539 76 T N 2.117 116.525 114.554 -0.244 0.000 2.933 76 T HA 0.332 4.682 4.350 0.000 0.000 0.306 76 T C 1.218 176.011 174.700 0.156 0.000 1.045 76 T CA 0.815 62.925 62.100 0.018 0.000 1.143 76 T CB 1.218 70.106 68.868 0.034 0.000 1.003 76 T HN 0.412 nan 8.240 nan 0.000 0.540 77 T N -0.388 114.220 114.554 0.092 0.000 2.990 77 T HA 0.560 4.910 4.350 0.000 0.000 0.296 77 T C 1.545 176.240 174.700 -0.008 0.000 1.189 77 T CA 0.006 62.175 62.100 0.115 0.000 0.938 77 T CB -0.020 68.884 68.868 0.060 0.000 1.994 77 T HN 1.197 nan 8.240 nan 0.000 0.584 78 G N -0.073 108.698 108.800 -0.049 0.000 2.168 78 G HA2 -0.210 3.750 3.960 0.000 0.000 0.257 78 G HA3 -0.210 3.750 3.960 0.000 0.000 0.257 78 G C -0.064 174.678 174.900 -0.263 0.000 0.997 78 G CA 0.161 45.164 45.100 -0.162 0.000 0.708 78 G HN 0.648 nan 8.290 nan 0.000 0.520 79 F N 1.639 121.461 119.950 -0.213 0.000 2.412 79 F HA 0.556 5.083 4.527 0.000 0.000 0.348 79 F C 1.319 176.835 175.800 -0.474 0.000 1.102 79 F CA 0.705 58.440 58.000 -0.442 0.000 1.196 79 F CB 1.436 40.059 39.000 -0.629 0.000 1.144 79 F HN 0.214 nan 8.300 nan 0.000 0.541 80 T N -0.286 114.050 114.554 -0.363 0.000 2.926 80 T HA 0.622 4.972 4.350 0.000 0.000 0.289 80 T C 0.873 175.463 174.700 -0.183 0.000 1.054 80 T CA -0.395 61.587 62.100 -0.197 0.000 1.015 80 T CB 1.584 70.376 68.868 -0.128 0.000 1.167 80 T HN 0.599 nan 8.240 nan 0.000 0.526 81 A N 0.651 123.522 122.820 0.084 0.000 1.903 81 A HA -0.160 4.160 4.320 0.000 0.000 0.219 81 A C 2.101 179.755 177.584 0.117 0.000 1.191 81 A CA 2.041 54.210 52.037 0.221 0.000 0.638 81 A CB -1.119 17.960 19.000 0.131 0.000 0.823 81 A HN 0.954 nan 8.150 nan 0.000 0.451 82 E N -0.742 119.461 120.200 0.005 0.000 2.106 82 E HA -0.163 4.187 4.350 0.000 0.000 0.192 82 E C 2.313 178.866 176.600 -0.079 0.000 0.984 82 E CA 0.959 57.339 56.400 -0.033 0.000 0.806 82 E CB -0.217 29.455 29.700 -0.046 0.000 0.750 82 E HN 0.577 nan 8.360 nan 0.000 0.458 83 R N 0.195 120.615 120.500 -0.133 0.000 2.092 83 R HA -0.063 4.277 4.340 0.000 0.000 0.231 83 R C 2.259 178.531 176.300 -0.047 0.000 1.119 83 R CA 1.138 57.151 56.100 -0.144 0.000 0.970 83 R CB -0.279 29.883 30.300 -0.230 0.000 0.864 83 R HN 0.170 nan 8.270 nan 0.000 0.440 84 F N 1.153 121.172 119.950 0.116 0.000 2.095 84 F HA -0.263 4.265 4.527 0.000 0.000 0.298 84 F C 2.847 178.611 175.800 -0.061 0.000 1.104 84 F CA 0.882 58.886 58.000 0.007 0.000 1.232 84 F CB -0.300 38.682 39.000 -0.031 0.000 0.987 84 F HN -0.027 nan 8.300 nan 0.000 0.475 85 Q N 0.462 120.330 119.800 0.114 0.000 2.096 85 Q HA -0.305 4.035 4.340 0.000 0.000 0.208 85 Q C 2.166 178.096 176.000 -0.116 0.000 0.993 85 Q CA 2.094 57.896 55.803 -0.000 0.000 0.862 85 Q CB -0.689 28.038 28.738 -0.019 0.000 0.915 85 Q HN 0.430 nan 8.270 nan 0.000 0.416 86 Q N 0.101 119.776 119.800 -0.209 0.000 2.030 86 Q HA -0.114 4.226 4.340 0.000 0.000 0.204 86 Q C 2.103 177.685 176.000 -0.697 0.000 0.986 86 Q CA 1.879 57.385 55.803 -0.495 0.000 0.843 86 Q CB -0.417 28.003 28.738 -0.531 0.000 0.904 86 Q HN 0.208 nan 8.270 nan 0.000 0.420 87 V N 0.654 120.340 119.914 -0.381 0.000 2.255 87 V HA -0.279 3.842 4.120 0.000 0.000 0.247 87 V C 2.308 178.381 176.094 -0.034 0.000 1.051 87 V CA 2.256 64.487 62.300 -0.116 0.000 1.018 87 V CB -0.786 31.108 31.823 0.119 0.000 0.641 87 V HN 0.506 nan 8.190 nan 0.000 0.445 88 E N 0.012 120.196 120.200 -0.025 0.000 2.114 88 E HA -0.249 4.101 4.350 0.000 0.000 0.199 88 E C 2.367 178.952 176.600 -0.025 0.000 1.008 88 E CA 1.839 58.235 56.400 -0.007 0.000 0.810 88 E CB -0.223 29.474 29.700 -0.006 0.000 0.739 88 E HN 0.553 nan 8.360 nan 0.000 0.456 89 S N -0.497 115.136 115.700 -0.111 0.000 2.343 89 S HA -0.163 4.307 4.470 0.000 0.000 0.219 89 S C 1.376 175.987 174.600 0.019 0.000 1.033 89 S CA 1.236 59.374 58.200 -0.104 0.000 1.014 89 S CB -0.441 62.633 63.200 -0.209 0.000 0.915 89 S HN 0.466 nan 8.310 nan 0.000 0.435 90 W N 1.665 122.990 121.300 0.043 0.000 2.331 90 W HA -0.056 4.604 4.660 0.000 0.000 0.291 90 W C 1.860 178.397 176.519 0.030 0.000 1.214 90 W CA 0.488 57.855 57.345 0.036 0.000 1.228 90 W CB -1.309 28.178 29.460 0.045 0.000 1.135 90 W HN 0.335 nan 8.180 nan 0.000 0.537 91 L N -0.806 120.562 121.223 0.241 0.000 2.313 91 L HA -0.141 4.199 4.340 0.000 0.000 0.214 91 L C 2.270 179.200 176.870 0.101 0.000 1.119 91 L CA 0.228 55.160 54.840 0.153 0.000 0.809 91 L CB -0.975 41.155 42.059 0.118 0.000 0.933 91 L HN -0.278 nan 8.230 nan 0.000 0.449 92 V N 0.589 120.557 119.914 0.089 0.000 2.324 92 V HA -0.370 3.750 4.120 0.000 0.000 0.250 92 V C 2.726 178.858 176.094 0.064 0.000 1.060 92 V CA 2.131 64.468 62.300 0.063 0.000 1.042 92 V CB -0.897 30.958 31.823 0.053 0.000 0.650 92 V HN 0.539 nan 8.190 nan 0.000 0.450 93 A N -1.510 121.360 122.820 0.084 0.000 2.066 93 A HA -0.039 4.281 4.320 0.000 0.000 0.218 93 A C 1.336 178.950 177.584 0.050 0.000 1.157 93 A CA 0.964 53.041 52.037 0.065 0.000 0.670 93 A CB -0.025 19.020 19.000 0.075 0.000 0.804 93 A HN 0.402 nan 8.150 nan 0.000 0.453 94 K N 0.241 120.677 120.400 0.060 0.000 2.540 94 K HA 0.245 4.565 4.320 0.000 0.000 0.218 94 K C -2.469 174.163 176.600 0.054 0.000 1.017 94 K CA -1.664 54.651 56.287 0.046 0.000 1.029 94 K CB 1.586 34.109 32.500 0.038 0.000 1.348 94 K HN 0.188 nan 8.250 nan 0.000 0.508 95 P HA -0.058 nan 4.420 nan 0.000 0.234 95 P C 0.091 177.417 177.300 0.044 0.000 1.167 95 P CA 0.872 63.995 63.100 0.039 0.000 0.763 95 P CB 0.285 32.003 31.700 0.029 0.000 0.835 96 N N -1.258 117.476 118.700 0.056 0.000 2.236 96 N HA 0.048 4.788 4.740 0.000 0.000 0.196 96 N C -0.234 175.362 175.510 0.144 0.000 1.114 96 N CA 0.010 53.107 53.050 0.078 0.000 0.859 96 N CB 0.220 38.746 38.487 0.066 0.000 0.982 96 N HN -0.019 nan 8.380 nan 0.000 0.493 97 T N 0.568 115.201 114.554 0.132 0.000 2.780 97 T HA 0.276 4.627 4.350 0.000 0.000 0.294 97 T C 0.058 174.847 174.700 0.148 0.000 0.949 97 T CA -0.265 61.962 62.100 0.210 0.000 1.074 97 T CB 1.426 70.375 68.868 0.135 0.000 0.910 97 T HN -0.124 nan 8.240 nan 0.000 0.501 98 S N 2.381 118.151 115.700 0.117 0.000 2.508 98 S HA 0.607 5.077 4.470 0.000 0.000 0.284 98 S C -0.245 174.378 174.600 0.038 0.000 1.192 98 S CA -0.763 57.410 58.200 -0.046 0.000 1.070 98 S CB 1.009 64.040 63.200 -0.282 0.000 1.004 98 S HN 0.505 nan 8.310 nan 0.000 0.493 99 V N 3.848 123.781 119.914 0.032 0.000 2.638 99 V HA 0.526 4.646 4.120 0.000 0.000 0.306 99 V C -0.831 175.269 176.094 0.011 0.000 1.052 99 V CA -0.722 61.608 62.300 0.051 0.000 0.885 99 V CB 1.745 33.618 31.823 0.083 0.000 0.999 99 V HN 0.758 nan 8.190 nan 0.000 0.424 100 L N 6.097 127.332 121.223 0.021 0.000 2.349 100 L HA 0.727 5.067 4.340 0.000 0.000 0.278 100 L C -1.036 175.829 176.870 -0.010 0.000 0.996 100 L CA 0.020 54.860 54.840 0.000 0.000 0.825 100 L CB 1.240 43.329 42.059 0.050 0.000 1.243 100 L HN 0.591 nan 8.230 nan 0.000 0.412 101 I N 5.069 125.582 120.570 -0.095 0.000 2.465 101 I HA 0.794 4.964 4.170 0.000 0.000 0.291 101 I C -0.456 175.562 176.117 -0.165 0.000 1.014 101 I CA -0.601 60.612 61.300 -0.146 0.000 1.093 101 I CB 1.967 39.779 38.000 -0.313 0.000 1.267 101 I HN 0.724 nan 8.210 nan 0.000 0.431 102 A N 7.492 130.212 122.820 -0.166 0.000 2.427 102 A HA 0.710 5.030 4.320 0.000 0.000 0.298 102 A C -2.335 175.141 177.584 -0.181 0.000 1.036 102 A CA -1.125 50.727 52.037 -0.308 0.000 0.701 102 A CB 1.470 20.008 19.000 -0.771 0.000 1.250 102 A HN 0.530 nan 8.150 nan 0.000 0.412 103 P HA 0.011 nan 4.420 nan 0.000 0.233 103 P C -0.187 177.115 177.300 0.004 0.000 1.167 103 P CA 0.784 63.879 63.100 -0.008 0.000 0.770 103 P CB 0.262 31.966 31.700 0.007 0.000 0.837 104 N N -0.830 117.798 118.700 -0.120 0.000 2.537 104 N HA 0.144 4.884 4.740 0.000 0.000 0.281 104 N C -1.015 174.401 175.510 -0.157 0.000 1.097 104 N CA -0.405 52.626 53.050 -0.032 0.000 0.964 104 N CB 0.581 39.050 38.487 -0.030 0.000 1.588 104 N HN -0.273 nan 8.380 nan 0.000 0.511 105 F N 0.787 120.819 119.950 0.137 0.000 2.682 105 F HA 0.411 4.938 4.527 0.000 0.000 0.308 105 F C 1.396 177.287 175.800 0.151 0.000 1.093 105 F CA -0.182 57.914 58.000 0.161 0.000 1.244 105 F CB 0.673 39.835 39.000 0.269 0.000 1.052 105 F HN 0.495 nan 8.300 nan 0.000 0.573 106 A N 1.136 124.117 122.820 0.270 0.000 2.444 106 A HA 0.238 4.559 4.320 0.000 0.000 0.287 106 A C 1.433 179.039 177.584 0.037 0.000 1.195 106 A CA -0.136 52.012 52.037 0.185 0.000 0.858 106 A CB -0.538 18.592 19.000 0.216 0.000 1.117 106 A HN 0.463 nan 8.150 nan 0.000 0.521 107 I N 3.083 123.681 120.570 0.047 0.000 2.151 107 I HA -0.291 3.880 4.170 0.000 0.000 0.243 107 I C 2.659 178.708 176.117 -0.113 0.000 1.080 107 I CA 1.754 63.038 61.300 -0.026 0.000 1.339 107 I CB -0.516 37.489 38.000 0.009 0.000 1.039 107 I HN 0.711 nan 8.210 nan 0.000 0.409 108 G N 0.632 109.380 108.800 -0.087 0.000 2.469 108 G HA2 -0.299 3.661 3.960 0.000 0.000 0.219 108 G HA3 -0.299 3.661 3.960 0.000 0.000 0.219 108 G C 1.851 176.334 174.900 -0.695 0.000 1.150 108 G CA 1.060 46.036 45.100 -0.205 0.000 0.763 108 G HN 0.529 nan 8.290 nan 0.000 0.561 109 A N -0.091 122.180 122.820 -0.914 0.000 1.873 109 A HA 0.113 4.433 4.320 0.000 0.000 0.215 109 A C 2.619 179.994 177.584 -0.347 0.000 1.186 109 A CA 1.854 53.447 52.037 -0.739 0.000 0.616 109 A CB -0.634 18.170 19.000 -0.326 0.000 0.823 109 A HN 0.280 nan 8.150 nan 0.000 0.442 110 V N 0.083 119.840 119.914 -0.261 0.000 2.427 110 V HA -0.235 3.885 4.120 0.000 0.000 0.248 110 V C 2.558 178.488 176.094 -0.274 0.000 1.051 110 V CA 1.829 64.002 62.300 -0.212 0.000 1.048 110 V CB -0.760 30.951 31.823 -0.187 0.000 0.666 110 V HN 0.542 nan 8.190 nan 0.000 0.456 111 L N 0.296 121.296 121.223 -0.371 0.000 2.017 111 L HA -0.176 4.165 4.340 0.000 0.000 0.208 111 L C 2.780 179.144 176.870 -0.844 0.000 1.073 111 L CA 1.960 56.389 54.840 -0.684 0.000 0.745 111 L CB -0.728 40.994 42.059 -0.562 0.000 0.894 111 L HN 0.480 nan 8.230 nan 0.000 0.432 112 S N -0.395 115.063 115.700 -0.403 0.000 2.402 112 S HA -0.285 4.185 4.470 0.000 0.000 0.233 112 S C 2.011 176.587 174.600 -0.040 0.000 1.030 112 S CA 1.670 59.802 58.200 -0.114 0.000 1.003 112 S CB -0.199 62.975 63.200 -0.044 0.000 0.813 112 S HN 0.358 nan 8.310 nan 0.000 0.477 113 M N -0.358 119.185 119.600 -0.094 0.000 2.287 113 M HA 0.047 4.527 4.480 0.000 0.000 0.266 113 M C 2.037 178.358 176.300 0.035 0.000 1.079 113 M CA 1.676 56.973 55.300 -0.004 0.000 1.146 113 M CB -0.161 32.423 32.600 -0.026 0.000 1.374 113 M HN 0.622 nan 8.290 nan 0.000 0.435 114 H N -0.403 118.582 119.070 -0.142 0.000 2.428 114 H HA -0.033 4.523 4.556 0.000 0.000 0.296 114 H C 1.413 176.813 175.328 0.119 0.000 1.062 114 H CA 1.837 57.842 56.048 -0.071 0.000 1.350 114 H CB -0.137 29.517 29.762 -0.180 0.000 1.403 114 H HN 0.419 nan 8.280 nan 0.000 0.533 115 F N -0.092 119.869 119.950 0.019 0.000 2.163 115 F HA -0.074 4.453 4.527 0.000 0.000 0.297 115 F C 2.806 178.623 175.800 0.028 0.000 1.094 115 F CA 0.214 58.211 58.000 -0.004 0.000 1.290 115 F CB -0.276 38.772 39.000 0.080 0.000 1.017 115 F HN 0.345 nan 8.300 nan 0.000 0.483 116 A N 0.369 123.379 122.820 0.316 0.000 1.883 116 A HA -0.252 4.069 4.320 0.000 0.000 0.217 116 A C 2.140 179.852 177.584 0.212 0.000 1.186 116 A CA 1.855 54.114 52.037 0.371 0.000 0.624 116 A CB -0.785 18.419 19.000 0.341 0.000 0.822 116 A HN 0.288 nan 8.150 nan 0.000 0.444 117 K N -0.624 119.836 120.400 0.101 0.000 2.020 117 K HA -0.246 4.074 4.320 0.000 0.000 0.212 117 K C 2.291 178.884 176.600 -0.011 0.000 1.050 117 K CA 2.040 58.343 56.287 0.027 0.000 0.929 117 K CB -0.241 32.246 32.500 -0.021 0.000 0.714 117 K HN 0.649 nan 8.250 nan 0.000 0.443 118 Q N -0.979 118.790 119.800 -0.053 0.000 2.224 118 Q HA -0.106 4.234 4.340 0.000 0.000 0.203 118 Q C 1.806 177.888 176.000 0.137 0.000 0.970 118 Q CA 1.202 57.010 55.803 0.008 0.000 0.865 118 Q CB 0.080 28.795 28.738 -0.037 0.000 0.922 118 Q HN 0.378 nan 8.270 nan 0.000 0.445 119 A N 0.379 123.226 122.820 0.044 0.000 2.044 119 A HA 0.206 4.526 4.320 0.000 0.000 0.213 119 A C 2.189 179.715 177.584 -0.096 0.000 1.169 119 A CA 0.801 52.848 52.037 0.016 0.000 0.724 119 A CB -0.229 18.550 19.000 -0.367 0.000 0.840 119 A HN 0.322 nan 8.150 nan 0.000 0.463 120 A N 1.311 124.014 122.820 -0.195 0.000 1.978 120 A HA -0.181 4.139 4.320 0.000 0.000 0.220 120 A C 2.115 179.655 177.584 -0.073 0.000 1.170 120 A CA 1.518 53.481 52.037 -0.123 0.000 0.636 120 A CB -0.526 18.542 19.000 0.114 0.000 0.810 120 A HN 0.673 nan 8.150 nan 0.000 0.448 121 R N -1.730 118.606 120.500 -0.273 0.000 2.323 121 R HA 0.105 4.445 4.340 0.000 0.000 0.198 121 R C -0.023 175.922 176.300 -0.592 0.000 0.988 121 R CA 0.685 56.513 56.100 -0.454 0.000 1.041 121 R CB -0.414 29.537 30.300 -0.582 0.000 0.926 121 R HN 0.417 nan 8.270 nan 0.000 0.476 122 F N 0.135 119.995 119.950 -0.150 0.000 2.647 122 F HA 0.426 4.953 4.527 0.000 0.000 0.300 122 F C -0.407 174.924 175.800 -0.782 0.000 1.106 122 F CA -0.669 57.071 58.000 -0.434 0.000 1.313 122 F CB 0.381 39.046 39.000 -0.557 0.000 1.007 122 F HN -0.169 nan 8.300 nan 0.000 0.536 123 F N -0.473 119.504 119.950 0.045 0.000 2.601 123 F HA 0.304 4.831 4.527 0.000 0.000 0.309 123 F C 0.875 176.722 175.800 0.079 0.000 1.089 123 F CA -1.203 56.846 58.000 0.083 0.000 0.940 123 F CB 1.221 40.303 39.000 0.136 0.000 1.273 123 F HN -0.276 nan 8.300 nan 0.000 0.450 124 D N 0.392 120.949 120.400 0.261 0.000 2.144 124 D HA -0.035 4.605 4.640 0.000 0.000 0.200 124 D C 0.154 176.562 176.300 0.181 0.000 0.978 124 D CA 1.347 55.447 54.000 0.167 0.000 0.833 124 D CB 0.227 41.103 40.800 0.127 0.000 0.961 124 D HN 0.252 nan 8.370 nan 0.000 0.470 125 S N -0.793 115.046 115.700 0.231 0.000 2.536 125 S HA 0.735 5.205 4.470 0.000 0.000 0.298 125 S C -0.669 174.053 174.600 0.203 0.000 1.083 125 S CA -0.795 57.508 58.200 0.172 0.000 0.995 125 S CB 2.756 66.025 63.200 0.115 0.000 1.058 125 S HN 0.236 nan 8.310 nan 0.000 0.488 126 A N 2.337 125.232 122.820 0.125 0.000 2.488 126 A HA 0.747 5.067 4.320 0.000 0.000 0.295 126 A C -1.048 176.506 177.584 -0.050 0.000 1.045 126 A CA -0.725 51.321 52.037 0.016 0.000 0.703 126 A CB 1.225 20.348 19.000 0.204 0.000 1.271 126 A HN 0.722 nan 8.150 nan 0.000 0.400 127 E N 0.496 120.607 120.200 -0.147 0.000 2.416 127 E HA 0.635 4.985 4.350 0.000 0.000 0.273 127 E C -1.433 175.105 176.600 -0.103 0.000 0.935 127 E CA -0.991 55.373 56.400 -0.061 0.000 0.784 127 E CB 2.688 32.405 29.700 0.029 0.000 1.301 127 E HN 0.375 nan 8.360 nan 0.000 0.454 128 V N 2.387 122.293 119.914 -0.013 0.000 2.540 128 V HA 0.463 4.583 4.120 0.000 0.000 0.302 128 V C -0.378 175.759 176.094 0.072 0.000 1.035 128 V CA -0.582 61.713 62.300 -0.008 0.000 0.873 128 V CB 1.395 33.215 31.823 -0.005 0.000 0.992 128 V HN 0.520 nan 8.190 nan 0.000 0.428 129 I N 4.385 124.986 120.570 0.051 0.000 2.474 129 I HA 0.557 4.727 4.170 0.000 0.000 0.294 129 I C -0.366 175.800 176.117 0.081 0.000 1.005 129 I CA -0.376 60.973 61.300 0.082 0.000 1.113 129 I CB 1.937 39.954 38.000 0.028 0.000 1.289 129 I HN 0.645 nan 8.210 nan 0.000 0.436 130 E N 8.370 128.637 120.200 0.113 0.000 2.248 130 E HA 0.565 4.915 4.350 0.000 0.000 0.267 130 E C -2.127 174.573 176.600 0.167 0.000 0.877 130 E CA -0.578 55.913 56.400 0.151 0.000 0.759 130 E CB 2.130 31.949 29.700 0.198 0.000 1.182 130 E HN 0.553 nan 8.360 nan 0.000 0.418 131 L N 3.505 124.799 121.223 0.118 0.000 2.410 131 L HA 0.582 4.923 4.340 0.000 0.000 0.270 131 L C -0.686 176.186 176.870 0.003 0.000 0.983 131 L CA -0.894 54.005 54.840 0.097 0.000 0.822 131 L CB 1.726 43.787 42.059 0.003 0.000 1.285 131 L HN 0.592 nan 8.230 nan 0.000 0.409 132 H N -1.315 117.797 119.070 0.069 0.000 2.949 132 H HA 0.414 4.970 4.556 0.000 0.000 0.356 132 H C -0.607 174.714 175.328 -0.011 0.000 1.212 132 H CA -0.710 55.339 56.048 0.002 0.000 1.136 132 H CB 1.389 31.040 29.762 -0.185 0.000 1.869 132 H HN 0.687 nan 8.280 nan 0.000 0.556 133 H N -0.045 119.177 119.070 0.254 0.000 2.929 133 H HA 0.058 4.614 4.556 0.000 0.000 0.358 133 H C -2.061 173.384 175.328 0.196 0.000 1.111 133 H CA -1.536 54.641 56.048 0.214 0.000 1.409 133 H CB 0.146 30.041 29.762 0.222 0.000 1.373 133 H HN 0.365 nan 8.280 nan 0.000 0.610 134 P HA -0.028 nan 4.420 nan 0.000 0.255 134 P C -0.022 177.285 177.300 0.011 0.000 1.357 134 P CA 0.807 63.947 63.100 0.066 0.000 0.839 134 P CB 0.062 31.754 31.700 -0.013 0.000 1.356 135 H N -0.963 118.308 119.070 0.336 0.000 2.586 135 H HA 0.174 4.730 4.556 0.000 0.000 0.273 135 H C 0.767 176.240 175.328 0.241 0.000 0.997 135 H CA -0.230 55.992 56.048 0.291 0.000 1.177 135 H CB 0.792 30.717 29.762 0.272 0.000 1.471 135 H HN 0.212 nan 8.280 nan 0.000 0.538 136 K N 1.122 121.606 120.400 0.140 0.000 2.249 136 K HA 0.326 4.646 4.320 0.000 0.000 0.280 136 K C 0.913 177.509 176.600 -0.006 0.000 1.033 136 K CA 0.011 56.290 56.287 -0.013 0.000 0.946 136 K CB 1.272 33.578 32.500 -0.322 0.000 1.005 136 K HN 0.014 nan 8.250 nan 0.000 0.469 137 A N 3.961 126.787 122.820 0.010 0.000 2.016 137 A HA -0.019 4.301 4.320 0.000 0.000 0.217 137 A C -0.042 177.530 177.584 -0.019 0.000 1.162 137 A CA 1.198 53.240 52.037 0.009 0.000 0.662 137 A CB -0.261 18.753 19.000 0.024 0.000 0.812 137 A HN 0.924 nan 8.150 nan 0.000 0.450 138 D N -1.886 118.484 120.400 -0.049 0.000 2.671 138 D HA 0.587 5.227 4.640 0.000 0.000 0.232 138 D C -0.962 175.289 176.300 -0.081 0.000 1.114 138 D CA -0.169 53.799 54.000 -0.053 0.000 0.858 138 D CB 1.863 42.637 40.800 -0.044 0.000 1.544 138 D HN 0.180 nan 8.370 nan 0.000 0.471 139 A N 1.908 124.694 122.820 -0.057 0.000 2.414 139 A HA 0.651 4.971 4.320 0.000 0.000 0.286 139 A C -2.693 174.868 177.584 -0.038 0.000 1.073 139 A CA -0.954 51.052 52.037 -0.053 0.000 0.727 139 A CB 1.022 20.001 19.000 -0.035 0.000 1.215 139 A HN 0.478 nan 8.150 nan 0.000 0.430 140 P HA 0.524 nan 4.420 nan 0.000 0.282 140 P C 0.322 177.582 177.300 -0.066 0.000 1.287 140 P CA -0.480 62.599 63.100 -0.037 0.000 0.792 140 P CB 0.500 32.193 31.700 -0.013 0.000 1.163 141 S N -1.332 114.315 115.700 -0.088 0.000 2.576 141 S HA 0.178 4.648 4.470 0.000 0.000 0.272 141 S C 1.645 176.225 174.600 -0.034 0.000 1.352 141 S CA -0.042 58.085 58.200 -0.122 0.000 1.021 141 S CB -0.018 63.115 63.200 -0.111 0.000 0.887 141 S HN 0.675 nan 8.310 nan 0.000 0.542 142 G N 1.363 110.149 108.800 -0.023 0.000 2.574 142 G HA2 -0.276 3.684 3.960 0.000 0.000 0.220 142 G HA3 -0.276 3.684 3.960 0.000 0.000 0.220 142 G C 1.294 176.212 174.900 0.030 0.000 1.173 142 G CA 1.532 46.638 45.100 0.010 0.000 0.772 142 G HN 0.776 nan 8.290 nan 0.000 0.585 143 T N 1.263 115.848 114.554 0.052 0.000 2.881 143 T HA 0.094 4.444 4.350 0.000 0.000 0.270 143 T C 2.681 177.421 174.700 0.067 0.000 1.068 143 T CA 1.477 63.620 62.100 0.071 0.000 1.131 143 T CB -0.231 68.706 68.868 0.115 0.000 0.871 143 T HN 0.436 nan 8.240 nan 0.000 0.479 144 A N 0.973 123.833 122.820 0.065 0.000 1.930 144 A HA 0.427 4.747 4.320 0.000 0.000 0.215 144 A C 2.570 180.175 177.584 0.034 0.000 1.176 144 A CA 1.298 53.370 52.037 0.059 0.000 0.632 144 A CB -0.836 18.203 19.000 0.065 0.000 0.819 144 A HN 0.468 nan 8.150 nan 0.000 0.445 145 A N 0.013 122.847 122.820 0.023 0.000 1.845 145 A HA -0.151 4.169 4.320 0.000 0.000 0.215 145 A C 2.258 179.854 177.584 0.020 0.000 1.195 145 A CA 1.651 53.697 52.037 0.014 0.000 0.616 145 A CB -0.606 18.399 19.000 0.008 0.000 0.832 145 A HN 0.479 nan 8.150 nan 0.000 0.443 146 R N -0.889 119.626 120.500 0.025 0.000 2.096 146 R HA -0.154 4.186 4.340 0.000 0.000 0.240 146 R C 2.297 178.614 176.300 0.028 0.000 1.139 146 R CA 2.221 58.337 56.100 0.026 0.000 0.952 146 R CB -0.777 29.539 30.300 0.026 0.000 0.854 146 R HN 0.557 nan 8.270 nan 0.000 0.436 147 T N 0.680 115.255 114.554 0.034 0.000 2.624 147 T HA -0.246 4.104 4.350 0.000 0.000 0.268 147 T C 1.817 176.543 174.700 0.043 0.000 1.041 147 T CA 1.810 63.935 62.100 0.042 0.000 1.159 147 T CB -0.462 68.434 68.868 0.047 0.000 0.863 147 T HN 0.508 nan 8.240 nan 0.000 0.434 148 A N 1.568 124.407 122.820 0.032 0.000 1.883 148 A HA -0.181 4.139 4.320 0.000 0.000 0.217 148 A C 2.253 179.856 177.584 0.032 0.000 1.186 148 A CA 2.002 54.056 52.037 0.028 0.000 0.624 148 A CB -0.585 18.422 19.000 0.012 0.000 0.822 148 A HN 0.511 nan 8.150 nan 0.000 0.444 149 K N -0.404 120.011 120.400 0.025 0.000 2.059 149 K HA -0.176 4.144 4.320 0.000 0.000 0.212 149 K C 1.889 178.506 176.600 0.028 0.000 1.050 149 K CA 1.768 58.069 56.287 0.023 0.000 0.927 149 K CB -0.527 31.984 32.500 0.019 0.000 0.714 149 K HN 0.513 nan 8.250 nan 0.000 0.447 150 L N 0.759 122.003 121.223 0.034 0.000 1.989 150 L HA -0.237 4.103 4.340 0.000 0.000 0.211 150 L C 2.428 179.328 176.870 0.049 0.000 1.071 150 L CA 1.326 56.188 54.840 0.037 0.000 0.749 150 L CB -0.607 41.478 42.059 0.043 0.000 0.890 150 L HN 0.210 nan 8.230 nan 0.000 0.431 151 I N 0.089 120.704 120.570 0.076 0.000 2.091 151 I HA -0.354 3.816 4.170 0.000 0.000 0.239 151 I C 2.909 179.070 176.117 0.073 0.000 1.061 151 I CA 1.391 62.756 61.300 0.109 0.000 1.317 151 I CB -0.660 37.429 38.000 0.148 0.000 1.031 151 I HN 0.253 nan 8.210 nan 0.000 0.401 152 A N 0.443 123.296 122.820 0.054 0.000 1.903 152 A HA -0.333 3.987 4.320 0.000 0.000 0.219 152 A C 2.205 179.801 177.584 0.020 0.000 1.191 152 A CA 2.509 54.567 52.037 0.035 0.000 0.638 152 A CB -0.740 18.275 19.000 0.025 0.000 0.823 152 A HN 0.473 nan 8.150 nan 0.000 0.451 153 E N -0.185 120.025 120.200 0.017 0.000 2.051 153 E HA -0.026 4.324 4.350 0.000 0.000 0.192 153 E C 2.038 178.635 176.600 -0.005 0.000 0.991 153 E CA 1.520 57.923 56.400 0.005 0.000 0.799 153 E CB -0.484 29.219 29.700 0.005 0.000 0.748 153 E HN 0.497 nan 8.360 nan 0.000 0.449 154 A N 0.093 122.912 122.820 -0.002 0.000 2.070 154 A HA -0.094 4.226 4.320 0.000 0.000 0.220 154 A C 1.898 179.453 177.584 -0.049 0.000 1.159 154 A CA 1.330 53.351 52.037 -0.027 0.000 0.656 154 A CB -0.295 18.693 19.000 -0.020 0.000 0.800 154 A HN 0.111 nan 8.150 nan 0.000 0.453 155 R N -0.674 119.813 120.500 -0.021 0.000 2.515 155 R HA 0.135 4.475 4.340 0.000 0.000 0.294 155 R C 0.183 176.470 176.300 -0.022 0.000 1.021 155 R CA -0.121 55.964 56.100 -0.026 0.000 1.081 155 R CB -0.013 30.295 30.300 0.013 0.000 1.263 155 R HN 0.303 nan 8.270 nan 0.000 0.557 156 K N 0.523 120.908 120.400 -0.024 0.000 2.165 156 K HA 0.035 4.355 4.320 0.000 0.000 0.270 156 K C 0.264 176.848 176.600 -0.027 0.000 1.091 156 K CA 0.712 56.988 56.287 -0.019 0.000 1.019 156 K CB -0.062 32.428 32.500 -0.017 0.000 1.101 156 K HN 0.405 nan 8.250 nan 0.000 0.397 157 G N 3.185 111.971 108.800 -0.023 0.000 2.198 157 G HA2 -0.148 3.812 3.960 0.000 0.000 0.156 157 G HA3 -0.148 3.812 3.960 0.000 0.000 0.156 157 G C -0.194 174.689 174.900 -0.028 0.000 1.012 157 G CA -0.542 44.543 45.100 -0.025 0.000 0.692 157 G HN 0.450 nan 8.290 nan 0.000 0.492 158 L N 1.158 122.365 121.223 -0.026 0.000 2.358 158 L HA 0.601 4.941 4.340 0.000 0.000 0.268 158 L C -1.322 175.546 176.870 -0.004 0.000 1.032 158 L CA -2.210 52.617 54.840 -0.021 0.000 0.805 158 L CB 0.521 42.564 42.059 -0.027 0.000 1.253 158 L HN -0.064 nan 8.230 nan 0.000 0.452 159 P HA 0.173 nan 4.420 nan 0.000 0.270 159 P C -2.537 174.775 177.300 0.020 0.000 1.223 159 P CA -0.866 62.241 63.100 0.010 0.000 0.785 159 P CB -0.560 31.148 31.700 0.013 0.000 0.923 160 P HA 0.040 nan 4.420 nan 0.000 0.272 160 P C -0.128 177.194 177.300 0.037 0.000 1.240 160 P CA -0.236 62.880 63.100 0.027 0.000 0.791 160 P CB 0.421 32.133 31.700 0.020 0.000 0.978 161 N N 2.064 120.792 118.700 0.046 0.000 2.217 161 N HA -0.017 4.723 4.740 0.000 0.000 0.268 161 N C -1.729 173.807 175.510 0.043 0.000 1.290 161 N CA -0.231 52.851 53.050 0.054 0.000 0.831 161 N CB -0.327 38.192 38.487 0.052 0.000 1.057 161 N HN 0.375 nan 8.380 nan 0.000 0.481 162 P HA 0.077 nan 4.420 nan 0.000 0.267 162 P C -0.608 176.713 177.300 0.036 0.000 1.200 162 P CA 0.459 63.582 63.100 0.038 0.000 0.772 162 P CB 0.672 32.397 31.700 0.041 0.000 0.855 163 D N 0.813 121.230 120.400 0.029 0.000 2.400 163 D HA 0.280 4.920 4.640 0.000 0.000 0.197 163 D C -0.301 176.012 176.300 0.022 0.000 1.295 163 D CA -0.460 53.557 54.000 0.027 0.000 0.878 163 D CB 0.508 41.325 40.800 0.028 0.000 1.659 163 D HN 0.212 nan 8.370 nan 0.000 0.546 164 A N 2.555 125.387 122.820 0.020 0.000 2.307 164 A HA 0.249 4.569 4.320 0.000 0.000 0.218 164 A C 0.829 178.422 177.584 0.015 0.000 1.228 164 A CA 0.100 52.147 52.037 0.017 0.000 0.857 164 A CB -0.135 18.874 19.000 0.016 0.000 0.897 164 A HN 0.425 nan 8.150 nan 0.000 0.495 165 T N 1.582 116.146 114.554 0.017 0.000 2.866 165 T HA 0.197 4.547 4.350 0.000 0.000 0.293 165 T C 1.346 176.054 174.700 0.013 0.000 1.005 165 T CA 1.051 63.161 62.100 0.016 0.000 1.162 165 T CB 0.520 69.400 68.868 0.020 0.000 0.968 165 T HN 0.617 nan 8.240 nan 0.000 0.530 166 S N 0.500 116.207 115.700 0.011 0.000 2.653 166 S HA 0.204 4.674 4.470 0.000 0.000 0.259 166 S C 0.597 175.202 174.600 0.008 0.000 1.076 166 S CA -0.233 57.973 58.200 0.009 0.000 1.051 166 S CB 0.476 63.681 63.200 0.008 0.000 0.994 166 S HN 0.801 nan 8.310 nan 0.000 0.552 167 T N 0.730 115.289 114.554 0.009 0.000 2.912 167 T HA 0.827 5.177 4.350 0.000 0.000 0.299 167 T C -0.647 174.059 174.700 0.010 0.000 1.052 167 T CA -0.282 61.823 62.100 0.008 0.000 0.996 167 T CB 2.051 70.923 68.868 0.007 0.000 1.070 167 T HN 0.515 nan 8.240 nan 0.000 0.465 168 S N 1.558 117.264 115.700 0.010 0.000 2.727 168 S HA 0.764 5.234 4.470 0.000 0.000 0.278 168 S C -1.475 173.132 174.600 0.011 0.000 1.186 168 S CA -1.241 56.967 58.200 0.013 0.000 0.836 168 S CB 0.833 64.042 63.200 0.015 0.000 1.186 168 S HN 0.811 nan 8.310 nan 0.000 0.499 169 L N 1.264 122.495 121.223 0.013 0.000 2.346 169 L HA 0.565 4.905 4.340 0.000 0.000 0.276 169 L C -2.665 174.213 176.870 0.013 0.000 1.006 169 L CA -2.412 52.434 54.840 0.012 0.000 0.817 169 L CB 1.445 43.511 42.059 0.012 0.000 1.272 169 L HN 0.417 nan 8.230 nan 0.000 0.421 170 P HA -0.018 nan 4.420 nan 0.000 0.257 170 P C 0.800 178.106 177.300 0.010 0.000 1.162 170 P CA 1.082 64.186 63.100 0.007 0.000 0.762 170 P CB 0.443 32.145 31.700 0.004 0.000 0.753 171 G N 3.061 111.867 108.800 0.010 0.000 2.195 171 G HA2 -0.323 3.637 3.960 0.000 0.000 0.246 171 G HA3 -0.323 3.637 3.960 0.000 0.000 0.246 171 G C 1.204 176.126 174.900 0.037 0.000 0.984 171 G CA 0.477 45.584 45.100 0.012 0.000 0.633 171 G HN 0.686 nan 8.290 nan 0.000 0.525 172 A N 0.091 122.936 122.820 0.042 0.000 1.978 172 A HA 0.021 4.341 4.320 0.000 0.000 0.220 172 A C 2.104 179.762 177.584 0.125 0.000 1.170 172 A CA 1.961 54.038 52.037 0.066 0.000 0.636 172 A CB -0.270 18.755 19.000 0.043 0.000 0.810 172 A HN 0.384 nan 8.150 nan 0.000 0.448 173 R N -0.490 120.066 120.500 0.094 0.000 2.426 173 R HA 0.273 4.613 4.340 0.000 0.000 0.263 173 R C 1.073 177.335 176.300 -0.064 0.000 0.961 173 R CA 0.599 56.769 56.100 0.117 0.000 1.086 173 R CB -0.971 29.359 30.300 0.050 0.000 1.186 173 R HN 0.676 nan 8.270 nan 0.000 0.537 174 G N 0.823 109.550 108.800 -0.121 0.000 2.645 174 G HA2 -0.298 3.662 3.960 0.000 0.000 0.239 174 G HA3 -0.298 3.662 3.960 0.000 0.000 0.239 174 G C -0.060 174.705 174.900 -0.225 0.000 1.331 174 G CA -0.295 44.577 45.100 -0.380 0.000 0.890 174 G HN 0.470 nan 8.290 nan 0.000 0.572 175 A N -0.731 121.955 122.820 -0.223 0.000 2.267 175 A HA 0.606 4.926 4.320 0.000 0.000 0.271 175 A C 0.380 177.893 177.584 -0.118 0.000 1.131 175 A CA 1.122 53.083 52.037 -0.127 0.000 0.818 175 A CB 0.671 19.615 19.000 -0.094 0.000 1.118 175 A HN 1.473 nan 8.150 nan 0.000 0.501 176 D N -0.376 119.981 120.400 -0.071 0.000 2.378 176 D HA 0.395 5.035 4.640 0.000 0.000 0.265 176 D C -1.394 174.885 176.300 -0.034 0.000 1.229 176 D CA -0.176 53.794 54.000 -0.050 0.000 0.914 176 D CB 0.663 41.442 40.800 -0.035 0.000 1.140 176 D HN 0.139 nan 8.370 nan 0.000 0.516 177 V N 3.573 123.467 119.914 -0.033 0.000 2.368 177 V HA 0.195 4.315 4.120 0.000 0.000 0.266 177 V C 0.298 176.388 176.094 -0.006 0.000 1.045 177 V CA -0.634 61.656 62.300 -0.017 0.000 0.899 177 V CB 1.183 32.998 31.823 -0.014 0.000 1.006 177 V HN 0.517 nan 8.190 nan 0.000 0.470 178 D N 4.876 125.275 120.400 -0.003 0.000 2.702 178 D HA -0.221 4.420 4.640 0.000 0.000 0.233 178 D C 1.350 177.654 176.300 0.006 0.000 1.164 178 D CA 1.712 55.714 54.000 0.003 0.000 0.638 178 D CB -0.996 39.809 40.800 0.008 0.000 1.041 178 D HN 1.316 nan 8.370 nan 0.000 0.422 179 G N -0.685 108.116 108.800 0.001 0.000 2.175 179 G HA2 -0.286 3.674 3.960 0.000 0.000 0.244 179 G HA3 -0.286 3.674 3.960 0.000 0.000 0.244 179 G C 0.398 175.302 174.900 0.007 0.000 0.982 179 G CA 0.192 45.294 45.100 0.005 0.000 0.641 179 G HN 0.807 nan 8.290 nan 0.000 0.527 180 I N -2.001 118.570 120.570 0.002 0.000 2.447 180 I HA 0.693 4.863 4.170 0.000 0.000 0.287 180 I C -2.769 173.332 176.117 -0.027 0.000 1.023 180 I CA -3.202 58.099 61.300 0.002 0.000 1.083 180 I CB 2.176 40.188 38.000 0.020 0.000 1.245 180 I HN -0.184 nan 8.210 nan 0.000 0.434 181 P HA 0.061 nan 4.420 nan 0.000 0.262 181 P C -0.670 176.545 177.300 -0.143 0.000 1.199 181 P CA 0.094 63.122 63.100 -0.120 0.000 0.763 181 P CB 0.686 32.351 31.700 -0.058 0.000 0.790 182 V N 5.506 125.301 119.914 -0.198 0.000 2.370 182 V HA 0.241 4.361 4.120 0.000 0.000 0.283 182 V C 0.320 176.265 176.094 -0.249 0.000 1.023 182 V CA -0.523 61.696 62.300 -0.134 0.000 0.857 182 V CB 0.621 32.406 31.823 -0.064 0.000 0.985 182 V HN 0.559 nan 8.190 nan 0.000 0.443 183 H N 3.202 122.271 119.070 -0.002 0.000 2.458 183 H HA 0.722 5.278 4.556 0.000 0.000 0.330 183 H C -0.099 175.237 175.328 0.015 0.000 1.111 183 H CA -0.372 55.677 56.048 0.001 0.000 1.245 183 H CB 2.257 32.016 29.762 -0.005 0.000 1.456 183 H HN 0.730 nan 8.280 nan 0.000 0.488 184 A N 3.606 126.498 122.820 0.120 0.000 2.311 184 A HA 0.460 4.780 4.320 0.000 0.000 0.306 184 A C -0.462 177.172 177.584 0.083 0.000 1.189 184 A CA -0.632 51.459 52.037 0.091 0.000 0.791 184 A CB 0.698 19.725 19.000 0.045 0.000 1.172 184 A HN 0.418 nan 8.150 nan 0.000 0.481 185 V N 4.018 123.985 119.914 0.088 0.000 2.427 185 V HA 0.519 4.639 4.120 0.000 0.000 0.286 185 V C -0.167 175.968 176.094 0.069 0.000 1.034 185 V CA -0.633 61.703 62.300 0.060 0.000 0.893 185 V CB 1.313 33.157 31.823 0.035 0.000 0.982 185 V HN 0.841 nan 8.190 nan 0.000 0.452 186 R N 4.517 125.045 120.500 0.046 0.000 2.439 186 R HA 0.719 5.059 4.340 0.000 0.000 0.310 186 R C -1.571 174.754 176.300 0.042 0.000 0.955 186 R CA -0.721 55.407 56.100 0.047 0.000 0.853 186 R CB 1.978 32.291 30.300 0.022 0.000 1.171 186 R HN 0.547 nan 8.270 nan 0.000 0.449 187 L N 1.450 122.711 121.223 0.062 0.000 2.543 187 L HA 0.474 4.814 4.340 0.000 0.000 0.265 187 L C -0.452 176.471 176.870 0.089 0.000 0.945 187 L CA -0.343 54.528 54.840 0.052 0.000 0.869 187 L CB 2.008 44.081 42.059 0.024 0.000 1.294 187 L HN 0.825 nan 8.230 nan 0.000 0.405 188 A N 2.934 125.802 122.820 0.080 0.000 2.586 188 A HA 0.418 4.738 4.320 0.000 0.000 0.231 188 A C 1.464 179.102 177.584 0.091 0.000 1.055 188 A CA 1.122 53.219 52.037 0.101 0.000 0.756 188 A CB -0.494 18.548 19.000 0.070 0.000 0.988 188 A HN 2.025 nan 8.150 nan 0.000 0.509 189 G N 0.478 109.342 108.800 0.107 0.000 2.284 189 G HA2 -0.228 3.732 3.960 0.000 0.000 0.247 189 G HA3 -0.228 3.732 3.960 0.000 0.000 0.247 189 G C 0.244 175.216 174.900 0.120 0.000 1.012 189 G CA 0.500 45.652 45.100 0.087 0.000 0.618 189 G HN 0.882 nan 8.290 nan 0.000 0.521 190 L N 0.332 121.654 121.223 0.165 0.000 2.421 190 L HA 0.602 4.942 4.340 0.000 0.000 0.263 190 L C 1.642 178.694 176.870 0.302 0.000 1.122 190 L CA -0.772 54.226 54.840 0.263 0.000 0.804 190 L CB 1.383 43.571 42.059 0.215 0.000 1.150 190 L HN 0.012 nan 8.230 nan 0.000 0.457 191 V N 0.297 120.375 119.914 0.272 0.000 3.945 191 V HA 0.433 4.553 4.120 0.000 0.000 0.196 191 V C 0.166 176.225 176.094 -0.058 0.000 1.110 191 V CA 0.293 62.653 62.300 0.100 0.000 1.411 191 V CB 0.512 32.315 31.823 -0.033 0.000 1.707 191 V HN 0.771 nan 8.190 nan 0.000 0.477 192 A N 0.207 122.721 122.820 -0.510 0.000 2.359 192 A HA 0.785 5.105 4.320 0.000 0.000 0.303 192 A C -1.047 175.969 177.584 -0.947 0.000 1.066 192 A CA -0.316 51.332 52.037 -0.648 0.000 0.730 192 A CB 0.670 19.553 19.000 -0.194 0.000 1.211 192 A HN 0.680 nan 8.150 nan 0.000 0.439 193 H N 0.919 119.704 119.070 -0.476 0.000 3.038 193 H HA 0.518 5.074 4.556 0.000 0.000 0.362 193 H C -1.273 173.979 175.328 -0.128 0.000 1.167 193 H CA -0.419 55.486 56.048 -0.238 0.000 1.197 193 H CB 2.086 31.740 29.762 -0.180 0.000 1.840 193 H HN 0.789 nan 8.280 nan 0.000 0.540 194 Q N 1.477 121.337 119.800 0.100 0.000 2.345 194 Q HA 0.338 4.678 4.340 0.000 0.000 0.275 194 Q C -1.592 174.465 176.000 0.095 0.000 1.063 194 Q CA -0.565 55.305 55.803 0.111 0.000 0.819 194 Q CB 3.160 31.984 28.738 0.143 0.000 1.356 194 Q HN 0.730 nan 8.270 nan 0.000 0.418 195 E N 2.649 122.882 120.200 0.055 0.000 2.244 195 E HA 0.404 4.754 4.350 0.000 0.000 0.260 195 E C -1.628 174.954 176.600 -0.031 0.000 0.884 195 E CA -0.573 55.838 56.400 0.019 0.000 0.777 195 E CB 1.937 31.635 29.700 -0.003 0.000 1.197 195 E HN 0.414 nan 8.360 nan 0.000 0.416 196 V N 5.878 125.753 119.914 -0.065 0.000 2.394 196 V HA 0.385 4.505 4.120 0.000 0.000 0.282 196 V C -0.093 175.777 176.094 -0.373 0.000 1.031 196 V CA -0.552 61.616 62.300 -0.220 0.000 0.881 196 V CB 1.051 32.761 31.823 -0.188 0.000 0.982 196 V HN 0.572 nan 8.190 nan 0.000 0.451 197 L N 5.444 126.369 121.223 -0.497 0.000 2.341 197 L HA 0.676 5.016 4.340 0.000 0.000 0.278 197 L C -1.026 175.410 176.870 -0.723 0.000 1.005 197 L CA -0.273 54.297 54.840 -0.451 0.000 0.818 197 L CB 1.559 43.485 42.059 -0.222 0.000 1.259 197 L HN 0.451 nan 8.230 nan 0.000 0.418 198 F N 0.357 120.152 119.950 -0.259 0.000 2.561 198 F HA 0.856 5.383 4.527 0.000 0.000 0.321 198 F C 0.631 176.206 175.800 -0.375 0.000 1.065 198 F CA -0.701 57.055 58.000 -0.406 0.000 0.934 198 F CB 2.464 40.870 39.000 -0.991 0.000 1.215 198 F HN 0.465 nan 8.300 nan 0.000 0.471 199 G N 0.016 108.854 108.800 0.064 0.000 2.704 199 G HA2 0.583 4.543 3.960 0.000 0.000 0.293 199 G HA3 0.583 4.543 3.960 0.000 0.000 0.293 199 G C -1.845 173.276 174.900 0.368 0.000 1.421 199 G CA -0.714 44.490 45.100 0.175 0.000 0.870 199 G HN 0.662 nan 8.290 nan 0.000 0.492 200 T N -0.619 114.145 114.554 0.349 0.000 2.853 200 T HA 0.424 4.774 4.350 0.000 0.000 0.311 200 T C -0.995 173.798 174.700 0.156 0.000 1.307 200 T CA -0.542 61.710 62.100 0.253 0.000 1.019 200 T CB 1.871 70.887 68.868 0.247 0.000 1.264 200 T HN 0.634 nan 8.240 nan 0.000 0.497 201 E N 0.691 120.951 120.200 0.100 0.000 2.480 201 E HA 0.345 4.695 4.350 0.000 0.000 0.258 201 E C 1.156 177.796 176.600 0.067 0.000 0.984 201 E CA 1.501 57.944 56.400 0.072 0.000 0.930 201 E CB -0.202 29.528 29.700 0.049 0.000 0.936 201 E HN 0.964 nan 8.360 nan 0.000 0.466 202 G N 3.676 112.514 108.800 0.064 0.000 2.254 202 G HA2 -0.266 3.694 3.960 0.000 0.000 0.225 202 G HA3 -0.266 3.694 3.960 0.000 0.000 0.225 202 G C -0.090 174.851 174.900 0.070 0.000 1.003 202 G CA 0.288 45.420 45.100 0.055 0.000 0.622 202 G HN 0.684 nan 8.290 nan 0.000 0.507 203 E N -0.347 119.918 120.200 0.108 0.000 2.390 203 E HA 0.595 4.945 4.350 0.000 0.000 0.280 203 E C -0.775 175.933 176.600 0.180 0.000 0.992 203 E CA -0.140 56.340 56.400 0.132 0.000 0.790 203 E CB 1.523 31.308 29.700 0.142 0.000 1.248 203 E HN 0.669 nan 8.360 nan 0.000 0.447 204 T N 0.293 114.922 114.554 0.125 0.000 2.900 204 T HA 0.664 5.014 4.350 0.000 0.000 0.295 204 T C -0.960 173.753 174.700 0.021 0.000 1.044 204 T CA -0.865 61.274 62.100 0.064 0.000 0.995 204 T CB 1.556 70.439 68.868 0.025 0.000 1.072 204 T HN 0.461 nan 8.240 nan 0.000 0.473 205 L N 1.761 122.932 121.223 -0.087 0.000 2.386 205 L HA 0.818 5.158 4.340 0.000 0.000 0.271 205 L C -0.903 175.968 176.870 0.002 0.000 0.993 205 L CA -0.067 54.755 54.840 -0.030 0.000 0.819 205 L CB 2.429 44.451 42.059 -0.061 0.000 1.294 205 L HN 1.032 nan 8.230 nan 0.000 0.414 206 T N 5.225 119.791 114.554 0.021 0.000 2.921 206 T HA 0.619 4.969 4.350 0.000 0.000 0.297 206 T C -0.603 174.125 174.700 0.047 0.000 1.013 206 T CA -0.219 61.879 62.100 -0.003 0.000 0.990 206 T CB 1.236 70.093 68.868 -0.018 0.000 1.023 206 T HN 0.387 nan 8.240 nan 0.000 0.447 207 I N 2.470 123.078 120.570 0.063 0.000 2.406 207 I HA 0.527 4.697 4.170 0.000 0.000 0.290 207 I C 0.088 176.270 176.117 0.108 0.000 0.999 207 I CA -0.721 60.656 61.300 0.127 0.000 1.124 207 I CB 1.602 39.729 38.000 0.211 0.000 1.289 207 I HN 0.261 nan 8.210 nan 0.000 0.441 208 R N 5.196 125.771 120.500 0.125 0.000 2.621 208 R HA 0.415 4.756 4.340 0.000 0.000 0.292 208 R C -1.378 175.035 176.300 0.187 0.000 0.969 208 R CA -0.688 55.485 56.100 0.122 0.000 0.887 208 R CB 1.738 32.083 30.300 0.076 0.000 1.180 208 R HN 0.679 nan 8.270 nan 0.000 0.450 209 H N 3.851 122.966 119.070 0.074 0.000 2.589 209 H HA 0.298 4.855 4.556 0.000 0.000 0.335 209 H C -1.406 173.958 175.328 0.060 0.000 1.019 209 H CA -0.578 55.508 56.048 0.064 0.000 1.213 209 H CB 1.418 31.209 29.762 0.049 0.000 1.472 209 H HN 0.606 nan 8.280 nan 0.000 0.508 210 D N 3.153 123.349 120.400 -0.340 0.000 2.350 210 D HA 0.132 4.772 4.640 0.000 0.000 0.245 210 D C -0.733 175.227 176.300 -0.568 0.000 1.036 210 D CA -0.488 53.310 54.000 -0.336 0.000 0.848 210 D CB 2.610 43.429 40.800 0.031 0.000 1.307 210 D HN 0.342 nan 8.370 nan 0.000 0.469 211 S N 1.540 116.899 115.700 -0.567 0.000 2.605 211 S HA 0.376 4.846 4.470 0.000 0.000 0.308 211 S C 0.414 174.858 174.600 -0.260 0.000 1.113 211 S CA -0.630 57.357 58.200 -0.355 0.000 1.049 211 S CB 0.483 63.529 63.200 -0.257 0.000 1.001 211 S HN 0.388 nan 8.310 nan 0.000 0.480 212 L N 2.644 123.787 121.223 -0.134 0.000 2.664 212 L HA 0.523 4.863 4.340 0.000 0.000 0.233 212 L C -0.275 176.565 176.870 -0.050 0.000 1.113 212 L CA -0.081 54.711 54.840 -0.079 0.000 0.896 212 L CB 0.147 42.184 42.059 -0.037 0.000 1.163 212 L HN 0.425 nan 8.230 nan 0.000 0.497 213 D N -0.915 119.458 120.400 -0.045 0.000 2.527 213 D HA 0.298 4.938 4.640 0.000 0.000 0.233 213 D C 0.671 176.968 176.300 -0.004 0.000 1.063 213 D CA -0.651 53.328 54.000 -0.034 0.000 0.880 213 D CB 1.721 42.488 40.800 -0.056 0.000 1.457 213 D HN -0.289 nan 8.370 nan 0.000 0.475 214 R N -0.103 120.403 120.500 0.011 0.000 2.152 214 R HA -0.044 4.296 4.340 0.000 0.000 0.232 214 R C 1.444 177.793 176.300 0.082 0.000 1.117 214 R CA 1.002 57.153 56.100 0.084 0.000 0.981 214 R CB -1.077 29.273 30.300 0.083 0.000 0.870 214 R HN 0.555 nan 8.270 nan 0.000 0.451 215 T N -1.767 112.717 114.554 -0.117 0.000 3.144 215 T HA 0.029 4.379 4.350 0.000 0.000 0.249 215 T C 1.356 175.741 174.700 -0.525 0.000 1.089 215 T CA 0.490 62.323 62.100 -0.446 0.000 0.989 215 T CB -0.080 68.604 68.868 -0.307 0.000 0.992 215 T HN 0.175 nan 8.240 nan 0.000 0.540 216 S N 1.191 116.764 115.700 -0.211 0.000 2.603 216 S HA 0.035 4.505 4.470 0.000 0.000 0.229 216 S C 1.417 176.003 174.600 -0.024 0.000 0.972 216 S CA -0.307 57.836 58.200 -0.096 0.000 0.935 216 S CB -1.197 62.022 63.200 0.031 0.000 0.769 216 S HN 0.728 nan 8.310 nan 0.000 0.536 217 F N 0.022 120.007 119.950 0.058 0.000 2.569 217 F HA 0.353 4.880 4.527 0.000 0.000 0.295 217 F C 1.767 177.600 175.800 0.055 0.000 1.115 217 F CA -0.423 57.638 58.000 0.102 0.000 1.450 217 F CB -1.017 38.047 39.000 0.106 0.000 1.107 217 F HN 0.032 nan 8.300 nan 0.000 0.563 218 V N 2.879 122.516 119.914 -0.462 0.000 2.231 218 V HA -0.273 3.847 4.120 0.000 0.000 0.250 218 V C 0.195 176.261 176.094 -0.046 0.000 1.058 218 V CA 2.790 64.936 62.300 -0.256 0.000 1.022 218 V CB -1.941 29.656 31.823 -0.376 0.000 0.640 218 V HN 0.233 nan 8.190 nan 0.000 0.445 219 P HA -0.185 nan 4.420 nan 0.000 0.217 219 P C 1.687 179.036 177.300 0.083 0.000 1.151 219 P CA 2.293 65.404 63.100 0.018 0.000 0.849 219 P CB -0.369 31.340 31.700 0.015 0.000 0.787 220 G N 0.012 108.906 108.800 0.157 0.000 2.404 220 G HA2 -0.180 3.781 3.960 0.000 0.000 0.215 220 G HA3 -0.180 3.781 3.960 0.000 0.000 0.215 220 G C 1.745 176.843 174.900 0.331 0.000 1.174 220 G CA 0.774 46.040 45.100 0.277 0.000 0.780 220 G HN 0.170 nan 8.290 nan 0.000 0.537 221 V N 1.310 121.341 119.914 0.195 0.000 2.261 221 V HA -0.154 3.967 4.120 0.000 0.000 0.246 221 V C 2.933 179.057 176.094 0.051 0.000 1.047 221 V CA 1.483 63.751 62.300 -0.054 0.000 1.015 221 V CB -0.608 31.126 31.823 -0.149 0.000 0.642 221 V HN 0.331 nan 8.190 nan 0.000 0.446 222 L N -0.711 120.543 121.223 0.052 0.000 2.021 222 L HA -0.268 4.072 4.340 0.000 0.000 0.215 222 L C 2.545 179.456 176.870 0.067 0.000 1.074 222 L CA 1.903 56.772 54.840 0.048 0.000 0.760 222 L CB -0.770 41.305 42.059 0.027 0.000 0.889 222 L HN 0.357 nan 8.230 nan 0.000 0.433 223 L N 0.157 121.433 121.223 0.088 0.000 1.989 223 L HA -0.220 4.120 4.340 0.000 0.000 0.211 223 L C 2.724 179.650 176.870 0.094 0.000 1.071 223 L CA 2.018 56.908 54.840 0.083 0.000 0.749 223 L CB -0.465 41.649 42.059 0.092 0.000 0.890 223 L HN 0.180 nan 8.230 nan 0.000 0.431 224 A N -1.194 121.718 122.820 0.153 0.000 1.908 224 A HA -0.173 4.147 4.320 0.000 0.000 0.218 224 A C 2.270 179.918 177.584 0.108 0.000 1.181 224 A CA 2.029 54.164 52.037 0.164 0.000 0.627 224 A CB -1.164 18.034 19.000 0.329 0.000 0.818 224 A HN 0.330 nan 8.150 nan 0.000 0.445 225 V N 0.220 120.191 119.914 0.095 0.000 2.343 225 V HA -0.258 3.862 4.120 0.000 0.000 0.247 225 V C 2.550 178.683 176.094 0.065 0.000 1.051 225 V CA 2.215 64.561 62.300 0.077 0.000 1.036 225 V CB -0.772 31.090 31.823 0.066 0.000 0.654 225 V HN 0.548 nan 8.190 nan 0.000 0.451 226 R N -0.410 120.123 120.500 0.055 0.000 2.280 226 R HA 0.021 4.361 4.340 0.000 0.000 0.207 226 R C 1.995 178.315 176.300 0.033 0.000 1.043 226 R CA 0.751 56.877 56.100 0.043 0.000 1.006 226 R CB -0.098 30.223 30.300 0.036 0.000 0.885 226 R HN 0.477 nan 8.270 nan 0.000 0.467 227 R N -0.475 120.043 120.500 0.030 0.000 2.469 227 R HA 0.196 4.537 4.340 0.000 0.000 0.250 227 R C 1.842 178.133 176.300 -0.016 0.000 0.909 227 R CA -0.132 55.974 56.100 0.010 0.000 1.050 227 R CB 0.141 30.447 30.300 0.009 0.000 1.256 227 R HN 0.089 nan 8.270 nan 0.000 0.550 228 I N 1.561 122.121 120.570 -0.016 0.000 2.381 228 I HA -0.321 3.849 4.170 0.000 0.000 0.255 228 I C 2.154 178.167 176.117 -0.173 0.000 1.140 228 I CA 1.433 62.693 61.300 -0.067 0.000 1.404 228 I CB 0.056 38.028 38.000 -0.047 0.000 1.075 228 I HN 0.176 nan 8.210 nan 0.000 0.433 229 A N 0.290 123.008 122.820 -0.170 0.000 1.933 229 A HA -0.259 4.061 4.320 0.000 0.000 0.218 229 A C 2.058 179.571 177.584 -0.118 0.000 1.175 229 A CA 1.930 53.847 52.037 -0.200 0.000 0.628 229 A CB -0.674 18.297 19.000 -0.048 0.000 0.814 229 A HN 0.617 nan 8.150 nan 0.000 0.444 230 E N -0.859 119.300 120.200 -0.068 0.000 2.333 230 E HA -0.089 4.261 4.350 0.000 0.000 0.198 230 E C 0.234 176.810 176.600 -0.040 0.000 1.007 230 E CA 0.579 56.956 56.400 -0.038 0.000 0.845 230 E CB -0.021 29.667 29.700 -0.021 0.000 0.766 230 E HN 0.445 nan 8.360 nan 0.000 0.507 231 R N 1.074 121.537 120.500 -0.062 0.000 2.467 231 R HA 0.227 4.567 4.340 0.000 0.000 0.299 231 R C -2.654 173.611 176.300 -0.059 0.000 1.120 231 R CA -1.808 54.263 56.100 -0.048 0.000 0.940 231 R CB 1.520 31.795 30.300 -0.041 0.000 1.161 231 R HN -0.047 nan 8.270 nan 0.000 0.506 232 P HA 0.265 nan 4.420 nan 0.000 0.278 232 P C 0.434 177.725 177.300 -0.015 0.000 1.238 232 P CA 0.311 63.395 63.100 -0.027 0.000 0.794 232 P CB 1.330 33.026 31.700 -0.007 0.000 0.955 233 G N 1.485 110.285 108.800 0.002 0.000 2.632 233 G HA2 -0.196 3.764 3.960 0.000 0.000 0.224 233 G HA3 -0.196 3.764 3.960 0.000 0.000 0.224 233 G C -1.156 173.744 174.900 -0.001 0.000 1.341 233 G CA -0.353 44.755 45.100 0.013 0.000 0.880 233 G HN 0.716 nan 8.290 nan 0.000 0.566 234 L N 0.875 122.095 121.223 -0.005 0.000 2.360 234 L HA 0.669 5.009 4.340 0.000 0.000 0.276 234 L C 0.743 177.576 176.870 -0.062 0.000 1.121 234 L CA 0.459 55.284 54.840 -0.025 0.000 0.845 234 L CB 0.898 42.944 42.059 -0.022 0.000 1.143 234 L HN 0.773 nan 8.230 nan 0.000 0.452 235 T N 4.568 119.077 114.554 -0.075 0.000 2.829 235 T HA 0.567 4.917 4.350 0.000 0.000 0.280 235 T C -0.750 173.862 174.700 -0.147 0.000 0.999 235 T CA -0.427 61.612 62.100 -0.102 0.000 0.983 235 T CB 1.580 70.400 68.868 -0.080 0.000 0.968 235 T HN 0.334 nan 8.240 nan 0.000 0.446 236 V N 2.945 122.740 119.914 -0.198 0.000 2.384 236 V HA 0.818 4.938 4.120 0.000 0.000 0.287 236 V C 0.582 176.548 176.094 -0.214 0.000 1.020 236 V CA -0.064 62.081 62.300 -0.258 0.000 0.850 236 V CB 0.644 32.214 31.823 -0.423 0.000 0.987 236 V HN 1.306 nan 8.190 nan 0.000 0.436 237 G N 3.575 112.245 108.800 -0.217 0.000 2.692 237 G HA2 -0.064 3.896 3.960 0.000 0.000 0.686 237 G HA3 -0.064 3.896 3.960 0.000 0.000 0.686 237 G C -0.222 174.539 174.900 -0.231 0.000 1.243 237 G CA -0.172 44.793 45.100 -0.225 0.000 0.782 237 G HN 0.784 nan 8.290 nan 0.000 0.625 238 L N 1.144 122.197 121.223 -0.283 0.000 2.240 238 L HA 0.105 4.445 4.340 0.000 0.000 0.211 238 L C 2.941 179.705 176.870 -0.176 0.000 1.106 238 L CA 2.349 57.045 54.840 -0.239 0.000 0.793 238 L CB -0.346 41.541 42.059 -0.288 0.000 0.927 238 L HN 0.849 nan 8.230 nan 0.000 0.446 239 E N -0.118 119.967 120.200 -0.192 0.000 2.171 239 E HA -0.223 4.127 4.350 0.000 0.000 0.197 239 E C -0.741 175.733 176.600 -0.211 0.000 0.997 239 E CA 1.545 57.807 56.400 -0.229 0.000 0.810 239 E CB -2.328 27.213 29.700 -0.265 0.000 0.738 239 E HN 0.378 nan 8.360 nan 0.000 0.467 240 P HA -0.013 nan 4.420 nan 0.000 0.221 240 P C 1.556 178.795 177.300 -0.101 0.000 1.150 240 P CA 0.865 63.904 63.100 -0.102 0.000 0.800 240 P CB -0.066 31.597 31.700 -0.061 0.000 0.787 241 L N -1.443 119.723 121.223 -0.095 0.000 2.554 241 L HA 0.042 4.382 4.340 0.000 0.000 0.226 241 L C 1.581 178.404 176.870 -0.079 0.000 1.137 241 L CA 0.682 55.482 54.840 -0.067 0.000 0.863 241 L CB -0.609 41.430 42.059 -0.034 0.000 0.985 241 L HN 0.047 nan 8.230 nan 0.000 0.451 242 L N -0.478 120.672 121.223 -0.122 0.000 2.627 242 L HA 0.036 4.377 4.340 0.000 0.000 0.232 242 L C -0.136 176.644 176.870 -0.149 0.000 1.150 242 L CA -0.038 54.728 54.840 -0.124 0.000 0.917 242 L CB -0.688 41.276 42.059 -0.159 0.000 1.104 242 L HN 0.201 nan 8.230 nan 0.000 0.445 243 D N 0.347 120.645 120.400 -0.170 0.000 2.686 243 D HA -0.214 4.426 4.640 0.000 0.000 0.235 243 D C 0.736 176.825 176.300 -0.352 0.000 1.160 243 D CA 0.618 54.474 54.000 -0.240 0.000 0.645 243 D CB -0.725 39.992 40.800 -0.138 0.000 1.039 243 D HN 0.363 nan 8.370 nan 0.000 0.423 244 L N -1.777 119.202 121.223 -0.407 0.000 2.803 244 L HA 0.275 4.615 4.340 0.000 0.000 0.246 244 L C 0.585 177.240 176.870 -0.359 0.000 1.100 244 L CA -0.523 54.099 54.840 -0.364 0.000 0.919 244 L CB 0.132 42.006 42.059 -0.308 0.000 1.285 244 L HN 0.256 nan 8.230 nan 0.000 0.522 245 H N 0.000 119.019 119.070 -0.086 0.000 2.539 245 H HA 0.000 4.556 4.556 0.000 0.000 0.296 245 H CA 0.000 56.025 56.048 -0.039 0.000 1.023 245 H CB 0.000 29.767 29.762 0.008 0.000 1.292 245 H HN 0.000 nan 8.280 nan 0.000 0.496