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 2o3j_1_C DATA FIRST_RESID 6 DATA SEQUENCE FGKVSKVVCV GAGYVGGPTC AMIAHKCPHI TVTVVDMNTA KIAEWNSDKL DATA SEQUENCE PIYEPGLDEI VFAARGRNLF FSSDIPKAIA EADLIFISVN TPTKMYGRGK DATA SEQUENCE GMAPDLKYVE SVSRTIAQYA GGPKIVVEKS TVPVKAAESI GCILREAQKX DATA SEQUENCE XXXLKFQVLS NPEFLAEGTA MKDLANPDRV LIGGESSPEG LQAVAELVRI DATA SEQUENCE YENWVPRNRI ITTNTWSSEL SKLVANAFLA QRISSINSIS AVCEATGAEI DATA SEQUENCE SEVAHAVGYD TRIGSKFLQA SVGFGGSCFQ KDVLSLVYLC ESLNLPQVAD DATA SEQUENCE YWQGVININN WQRRRFADKI IAELFNTVTD KKIAIFGFAF KKNTGDTRES DATA SEQUENCE SAIHVIKHLM EEHAKLSVYD PKVQKSQMLN DLASVTSAQD VERLITVESD DATA SEQUENCE PYAAARGAHA IVVLTEWDEF VELNYSQIHN DMQHPAAIFD GRLILDQKAL DATA SEQUENCE REIGFRTFAI GTSPDQ 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 6 F HA 0.000 nan 4.527 nan 0.000 0.279 6 F C 0.000 175.781 175.800 -0.032 0.000 0.967 6 F CA 0.000 57.975 58.000 -0.042 0.000 1.383 6 F CB 0.000 38.977 39.000 -0.038 0.000 1.145 7 G N 2.453 111.337 108.800 0.140 0.000 2.327 7 G HA2 -0.013 3.949 3.960 0.003 0.000 0.234 7 G HA3 -0.013 3.949 3.960 0.003 0.000 0.234 7 G C -1.082 173.885 174.900 0.110 0.000 1.884 7 G CA -1.144 44.029 45.100 0.121 0.000 1.132 7 G HN 0.663 nan 8.290 nan 0.000 0.633 8 K N 0.261 120.699 120.400 0.064 0.000 2.355 8 K HA 0.485 4.807 4.320 0.003 0.000 0.270 8 K C 0.209 176.835 176.600 0.043 0.000 1.003 8 K CA -0.211 56.106 56.287 0.050 0.000 0.957 8 K CB 0.909 33.434 32.500 0.041 0.000 0.939 8 K HN 0.134 nan 8.250 nan 0.000 0.482 9 V N 3.588 123.526 119.914 0.040 0.000 2.357 9 V HA 0.077 4.199 4.120 0.003 0.000 0.284 9 V C 0.659 176.766 176.094 0.022 0.000 1.018 9 V CA -0.235 62.078 62.300 0.022 0.000 0.841 9 V CB 1.191 33.013 31.823 -0.000 0.000 0.991 9 V HN 0.990 nan 8.190 nan 0.000 0.437 10 S N 3.176 118.883 115.700 0.012 0.000 2.554 10 S HA 0.330 4.801 4.470 0.003 0.000 0.227 10 S C 0.433 175.023 174.600 -0.017 0.000 1.050 10 S CA -0.368 57.837 58.200 0.007 0.000 0.927 10 S CB 0.263 63.479 63.200 0.027 0.000 0.859 10 S HN 0.581 nan 8.310 nan 0.000 0.494 11 K N 1.568 121.957 120.400 -0.018 0.000 2.358 11 K HA 0.691 5.012 4.320 0.003 0.000 0.260 11 K C -1.682 174.903 176.600 -0.024 0.000 0.956 11 K CA -0.505 55.768 56.287 -0.024 0.000 0.834 11 K CB 2.435 34.917 32.500 -0.031 0.000 1.102 11 K HN 0.020 nan 8.250 nan 0.000 0.431 12 V N 3.595 123.501 119.914 -0.014 0.000 2.495 12 V HA 0.416 4.538 4.120 0.003 0.000 0.298 12 V C -0.516 175.595 176.094 0.028 0.000 1.031 12 V CA -0.864 61.438 62.300 0.003 0.000 0.871 12 V CB 1.940 33.794 31.823 0.052 0.000 0.988 12 V HN 0.455 nan 8.190 nan 0.000 0.432 13 V N 3.668 123.604 119.914 0.036 0.000 2.680 13 V HA 0.549 4.670 4.120 0.003 0.000 0.309 13 V C -0.524 175.654 176.094 0.140 0.000 1.052 13 V CA -0.566 61.769 62.300 0.058 0.000 0.908 13 V CB 2.034 33.873 31.823 0.028 0.000 1.001 13 V HN 1.029 nan 8.190 nan 0.000 0.431 14 C N 5.494 124.878 119.300 0.139 0.000 2.396 14 C HA 0.791 5.252 4.460 0.003 0.000 0.321 14 C C -0.468 174.584 174.990 0.104 0.000 1.233 14 C CA -0.400 58.729 59.018 0.185 0.000 1.440 14 C CB 0.445 28.285 27.740 0.166 0.000 2.110 14 C HN 0.700 nan 8.230 nan 0.000 0.473 15 V N 5.848 125.828 119.914 0.110 0.000 2.432 15 V HA 0.837 4.958 4.120 0.003 0.000 0.275 15 V C 0.907 177.043 176.094 0.069 0.000 1.043 15 V CA 0.974 63.323 62.300 0.081 0.000 0.925 15 V CB 0.482 32.355 31.823 0.082 0.000 0.985 15 V HN 1.771 nan 8.190 nan 0.000 0.466 16 G N 3.564 112.396 108.800 0.053 0.000 3.338 16 G HA2 0.337 4.299 3.960 0.003 0.000 0.686 16 G HA3 0.337 4.299 3.960 0.003 0.000 0.686 16 G C -0.302 174.633 174.900 0.058 0.000 1.053 16 G CA -0.295 44.831 45.100 0.044 0.000 0.852 16 G HN 1.744 nan 8.290 nan 0.000 0.545 17 A N 1.877 124.754 122.820 0.095 0.000 3.201 17 A HA 0.852 5.173 4.320 0.003 0.000 0.312 17 A C 1.103 178.868 177.584 0.302 0.000 1.011 17 A CA 0.986 53.106 52.037 0.139 0.000 0.987 17 A CB 0.026 19.128 19.000 0.170 0.000 1.060 17 A HN 2.130 nan 8.150 nan 0.000 0.505 18 G N -1.431 107.493 108.800 0.206 0.000 3.175 18 G HA2 0.370 4.331 3.960 0.003 0.000 0.153 18 G HA3 0.370 4.331 3.960 0.003 0.000 0.153 18 G C 0.369 175.407 174.900 0.230 0.000 1.216 18 G CA -0.196 45.049 45.100 0.241 0.000 0.943 18 G HN 0.217 nan 8.290 nan 0.000 0.611 19 Y N -0.694 119.672 120.300 0.110 0.000 2.509 19 Y HA 0.052 4.604 4.550 0.003 0.000 0.293 19 Y C 2.641 178.572 175.900 0.051 0.000 1.133 19 Y CA 0.990 59.145 58.100 0.091 0.000 1.283 19 Y CB 0.370 38.861 38.460 0.051 0.000 1.001 19 Y HN 0.055 nan 8.280 nan 0.000 0.555 20 V N -2.054 117.955 119.914 0.160 0.000 2.521 20 V HA -0.007 4.115 4.120 0.003 0.000 0.239 20 V C 2.349 178.434 176.094 -0.016 0.000 1.053 20 V CA 1.558 63.895 62.300 0.062 0.000 1.073 20 V CB -1.004 30.836 31.823 0.029 0.000 0.746 20 V HN 0.381 nan 8.190 nan 0.000 0.476 21 G N 0.117 108.906 108.800 -0.018 0.000 2.403 21 G HA2 -0.034 3.928 3.960 0.003 0.000 0.216 21 G HA3 -0.034 3.928 3.960 0.003 0.000 0.216 21 G C 1.576 176.391 174.900 -0.142 0.000 1.154 21 G CA 0.937 45.989 45.100 -0.079 0.000 0.784 21 G HN 0.551 nan 8.290 nan 0.000 0.538 22 G N 1.756 110.463 108.800 -0.154 0.000 2.552 22 G HA2 -0.106 3.855 3.960 0.003 0.000 0.216 22 G HA3 -0.106 3.855 3.960 0.003 0.000 0.216 22 G C 0.062 174.783 174.900 -0.297 0.000 1.240 22 G CA 1.288 46.152 45.100 -0.393 0.000 0.796 22 G HN 0.370 nan 8.290 nan 0.000 0.568 23 P HA -0.063 nan 4.420 nan 0.000 0.216 23 P C 2.004 179.234 177.300 -0.116 0.000 1.150 23 P CA 1.788 64.819 63.100 -0.115 0.000 0.843 23 P CB -0.200 31.453 31.700 -0.078 0.000 0.787 24 T N -1.717 112.766 114.554 -0.119 0.000 2.777 24 T HA -0.131 4.221 4.350 0.003 0.000 0.266 24 T C 1.854 176.457 174.700 -0.161 0.000 1.040 24 T CA 1.230 63.260 62.100 -0.117 0.000 1.141 24 T CB -1.155 67.601 68.868 -0.185 0.000 0.868 24 T HN 0.147 nan 8.240 nan 0.000 0.444 25 C N 1.550 120.727 119.300 -0.205 0.000 2.440 25 C HA 0.146 4.608 4.460 0.003 0.000 0.278 25 C C 3.186 178.040 174.990 -0.227 0.000 1.295 25 C CA 0.264 59.158 59.018 -0.206 0.000 1.738 25 C CB -1.358 26.248 27.740 -0.223 0.000 1.987 25 C HN 0.652 nan 8.230 nan 0.000 0.492 26 A N 0.030 122.709 122.820 -0.235 0.000 1.908 26 A HA -0.273 4.049 4.320 0.003 0.000 0.218 26 A C 2.052 179.508 177.584 -0.214 0.000 1.181 26 A CA 2.365 54.269 52.037 -0.222 0.000 0.627 26 A CB -0.610 18.274 19.000 -0.193 0.000 0.818 26 A HN 0.513 nan 8.150 nan 0.000 0.445 27 M N -0.249 119.224 119.600 -0.212 0.000 2.175 27 M HA 0.044 4.525 4.480 0.003 0.000 0.264 27 M C 1.732 177.731 176.300 -0.502 0.000 1.063 27 M CA 1.356 56.483 55.300 -0.289 0.000 1.119 27 M CB -0.605 31.874 32.600 -0.201 0.000 1.377 27 M HN 0.393 nan 8.290 nan 0.000 0.415 28 I N -0.264 120.088 120.570 -0.363 0.000 2.226 28 I HA -0.248 3.924 4.170 0.003 0.000 0.245 28 I C 2.392 178.327 176.117 -0.305 0.000 1.100 28 I CA 1.194 62.283 61.300 -0.351 0.000 1.374 28 I CB -0.771 37.156 38.000 -0.121 0.000 1.057 28 I HN 0.364 nan 8.210 nan 0.000 0.413 29 A N 0.030 122.711 122.820 -0.233 0.000 1.877 29 A HA -0.302 4.020 4.320 0.003 0.000 0.216 29 A C 2.220 179.711 177.584 -0.155 0.000 1.186 29 A CA 2.004 53.928 52.037 -0.188 0.000 0.620 29 A CB -0.984 17.902 19.000 -0.191 0.000 0.822 29 A HN 0.475 nan 8.150 nan 0.000 0.443 30 H N 0.299 119.199 119.070 -0.283 0.000 2.321 30 H HA -0.095 4.463 4.556 0.003 0.000 0.295 30 H C 1.300 176.469 175.328 -0.265 0.000 1.102 30 H CA 2.229 58.122 56.048 -0.259 0.000 1.266 30 H CB 0.122 29.711 29.762 -0.289 0.000 1.363 30 H HN 0.327 nan 8.280 nan 0.000 0.492 31 K N -0.786 119.350 120.400 -0.439 0.000 2.358 31 K HA 0.211 4.532 4.320 0.003 0.000 0.197 31 K C -0.273 176.224 176.600 -0.171 0.000 1.025 31 K CA 0.279 56.305 56.287 -0.435 0.000 1.104 31 K CB 0.605 32.662 32.500 -0.738 0.000 0.855 31 K HN 0.177 nan 8.250 nan 0.000 0.531 32 C N 1.822 121.015 119.300 -0.180 0.000 2.547 32 C HA 0.285 4.747 4.460 0.003 0.000 0.327 32 C C -1.914 172.979 174.990 -0.162 0.000 1.076 32 C CA -1.406 57.541 59.018 -0.118 0.000 1.390 32 C CB 1.455 29.053 27.740 -0.237 0.000 1.918 32 C HN 0.084 nan 8.230 nan 0.000 0.438 33 P HA -0.117 nan 4.420 nan 0.000 0.222 33 P C 1.319 178.627 177.300 0.013 0.000 1.153 33 P CA 1.308 64.406 63.100 -0.003 0.000 0.798 33 P CB -0.143 31.583 31.700 0.043 0.000 0.796 34 H N -1.619 117.447 119.070 -0.007 0.000 2.547 34 H HA 0.219 4.777 4.556 0.003 0.000 0.266 34 H C 0.324 175.658 175.328 0.009 0.000 0.988 34 H CA -0.025 56.026 56.048 0.004 0.000 1.147 34 H CB -0.541 29.225 29.762 0.006 0.000 1.365 34 H HN 0.154 nan 8.280 nan 0.000 0.589 35 I N 2.300 122.656 120.570 -0.356 0.000 2.378 35 I HA 0.115 4.286 4.170 0.003 0.000 0.291 35 I C -0.172 175.884 176.117 -0.101 0.000 0.992 35 I CA -0.562 60.598 61.300 -0.234 0.000 1.154 35 I CB 1.961 39.775 38.000 -0.310 0.000 1.315 35 I HN -0.067 nan 8.210 nan 0.000 0.448 36 T N 6.016 120.554 114.554 -0.027 0.000 2.749 36 T HA 0.341 4.693 4.350 0.003 0.000 0.295 36 T C -0.135 174.586 174.700 0.035 0.000 0.936 36 T CA -0.315 61.815 62.100 0.049 0.000 1.060 36 T CB 0.831 69.735 68.868 0.061 0.000 0.904 36 T HN 0.171 nan 8.240 nan 0.000 0.500 37 V N 4.866 124.810 119.914 0.050 0.000 2.378 37 V HA 0.389 4.510 4.120 0.003 0.000 0.288 37 V C 0.221 176.310 176.094 -0.008 0.000 1.016 37 V CA -0.768 61.524 62.300 -0.014 0.000 0.840 37 V CB 1.644 33.410 31.823 -0.095 0.000 0.994 37 V HN 0.954 nan 8.190 nan 0.000 0.431 38 T N 4.416 118.965 114.554 -0.009 0.000 2.794 38 T HA 0.576 4.928 4.350 0.003 0.000 0.280 38 T C -0.268 174.393 174.700 -0.064 0.000 0.987 38 T CA -0.483 61.599 62.100 -0.029 0.000 0.993 38 T CB 1.698 70.559 68.868 -0.011 0.000 0.939 38 T HN 0.307 nan 8.240 nan 0.000 0.449 39 V N 4.342 124.182 119.914 -0.124 0.000 2.347 39 V HA 0.572 4.694 4.120 0.003 0.000 0.280 39 V C 0.314 176.443 176.094 0.059 0.000 1.021 39 V CA -0.800 61.471 62.300 -0.048 0.000 0.847 39 V CB 0.848 32.614 31.823 -0.095 0.000 0.990 39 V HN 0.832 nan 8.190 nan 0.000 0.444 40 V N 0.906 120.854 119.914 0.056 0.000 3.019 40 V HA 0.885 5.006 4.120 0.003 0.000 0.317 40 V C -0.733 175.404 176.094 0.072 0.000 1.094 40 V CA -0.565 61.777 62.300 0.070 0.000 1.000 40 V CB 2.208 34.058 31.823 0.045 0.000 1.060 40 V HN 0.891 nan 8.190 nan 0.000 0.443 41 D N 2.145 122.588 120.400 0.071 0.000 2.712 41 D HA 0.154 4.796 4.640 0.003 0.000 0.231 41 D C -0.074 176.262 176.300 0.061 0.000 1.105 41 D CA -0.480 53.562 54.000 0.070 0.000 0.762 41 D CB 2.033 42.895 40.800 0.103 0.000 2.410 41 D HN 0.478 nan 8.370 nan 0.000 0.467 42 M N 1.441 121.068 119.600 0.044 0.000 2.506 42 M HA 0.069 4.551 4.480 0.003 0.000 0.260 42 M C 0.672 176.996 176.300 0.039 0.000 1.104 42 M CA 0.386 55.710 55.300 0.040 0.000 1.112 42 M CB -1.047 31.576 32.600 0.037 0.000 1.401 42 M HN 0.267 nan 8.290 nan 0.000 0.473 43 N N 1.401 120.126 118.700 0.041 0.000 2.466 43 N HA -0.008 4.734 4.740 0.003 0.000 0.263 43 N C 0.932 176.472 175.510 0.050 0.000 1.178 43 N CA 0.350 53.423 53.050 0.038 0.000 0.983 43 N CB 0.635 39.142 38.487 0.033 0.000 1.331 43 N HN 0.328 nan 8.380 nan 0.000 0.500 44 T N 0.297 114.877 114.554 0.042 0.000 2.833 44 T HA -0.098 4.254 4.350 0.003 0.000 0.269 44 T C 1.747 176.470 174.700 0.039 0.000 1.054 44 T CA 1.040 63.168 62.100 0.047 0.000 1.135 44 T CB -0.070 68.820 68.868 0.038 0.000 0.869 44 T HN 0.338 nan 8.240 nan 0.000 0.466 45 A N 1.878 124.711 122.820 0.021 0.000 1.969 45 A HA 0.069 4.391 4.320 0.003 0.000 0.218 45 A C 2.327 179.899 177.584 -0.020 0.000 1.169 45 A CA 1.796 53.833 52.037 0.001 0.000 0.635 45 A CB -0.629 18.366 19.000 -0.008 0.000 0.810 45 A HN 0.540 nan 8.150 nan 0.000 0.445 46 K N -0.096 120.300 120.400 -0.007 0.000 2.057 46 K HA -0.049 4.273 4.320 0.003 0.000 0.206 46 K C 1.596 178.219 176.600 0.039 0.000 1.050 46 K CA 1.345 57.614 56.287 -0.029 0.000 0.935 46 K CB -0.256 32.260 32.500 0.026 0.000 0.715 46 K HN 0.313 nan 8.250 nan 0.000 0.439 47 I N 1.202 121.843 120.570 0.118 0.000 2.286 47 I HA -0.171 4.001 4.170 0.003 0.000 0.248 47 I C 2.264 178.444 176.117 0.104 0.000 1.115 47 I CA 1.472 62.874 61.300 0.171 0.000 1.392 47 I CB -1.454 36.643 38.000 0.162 0.000 1.065 47 I HN 0.283 nan 8.210 nan 0.000 0.418 48 A N 0.285 123.135 122.820 0.049 0.000 1.930 48 A HA -0.183 4.139 4.320 0.003 0.000 0.217 48 A C 2.256 179.829 177.584 -0.019 0.000 1.175 48 A CA 1.259 53.312 52.037 0.027 0.000 0.627 48 A CB -0.511 18.497 19.000 0.014 0.000 0.815 48 A HN 0.434 nan 8.150 nan 0.000 0.443 49 E N -1.265 118.879 120.200 -0.093 0.000 2.077 49 E HA -0.234 4.117 4.350 0.003 0.000 0.193 49 E C 1.773 178.221 176.600 -0.253 0.000 0.989 49 E CA 1.277 57.558 56.400 -0.198 0.000 0.800 49 E CB -0.228 29.281 29.700 -0.318 0.000 0.746 49 E HN 0.873 nan 8.360 nan 0.000 0.452 50 W N 0.947 122.051 121.300 -0.327 0.000 2.425 50 W HA -0.077 4.584 4.660 0.002 0.000 0.277 50 W C 1.606 177.869 176.519 -0.427 0.000 1.231 50 W CA 0.048 56.980 57.345 -0.688 0.000 1.248 50 W CB 0.139 28.707 29.460 -1.487 0.000 1.117 50 W HN -0.016 nan 8.180 nan 0.000 0.568 51 N N -0.094 118.647 118.700 0.067 0.000 2.268 51 N HA 0.004 4.745 4.740 0.003 0.000 0.204 51 N C 0.337 175.923 175.510 0.127 0.000 1.124 51 N CA 0.536 53.694 53.050 0.180 0.000 0.838 51 N CB 0.082 38.688 38.487 0.198 0.000 0.994 51 N HN 0.003 nan 8.380 nan 0.000 0.489 52 S N -0.217 115.536 115.700 0.088 0.000 2.768 52 S HA 0.228 4.699 4.470 0.003 0.000 0.300 52 S C 0.951 175.612 174.600 0.101 0.000 1.122 52 S CA -0.584 57.651 58.200 0.057 0.000 0.995 52 S CB 1.519 64.723 63.200 0.006 0.000 1.195 52 S HN 0.118 nan 8.310 nan 0.000 0.547 53 D N -0.229 120.184 120.400 0.023 0.000 2.224 53 D HA -0.038 4.604 4.640 0.003 0.000 0.205 53 D C -0.043 176.337 176.300 0.134 0.000 0.965 53 D CA 0.779 54.778 54.000 -0.002 0.000 0.852 53 D CB -0.236 40.509 40.800 -0.092 0.000 0.947 53 D HN 0.484 nan 8.370 nan 0.000 0.494 54 K N 0.903 121.340 120.400 0.061 0.000 2.347 54 K HA 0.371 4.692 4.320 0.003 0.000 0.262 54 K C -0.242 176.320 176.600 -0.064 0.000 1.052 54 K CA -0.453 55.847 56.287 0.022 0.000 0.946 54 K CB 1.809 34.294 32.500 -0.025 0.000 1.220 54 K HN 0.034 nan 8.250 nan 0.000 0.450 55 L N 4.595 125.764 121.223 -0.090 0.000 2.439 55 L HA 0.116 4.457 4.340 0.003 0.000 0.269 55 L C -0.934 175.636 176.870 -0.499 0.000 1.179 55 L CA -1.427 53.197 54.840 -0.360 0.000 0.828 55 L CB 0.343 42.197 42.059 -0.341 0.000 1.106 55 L HN 0.463 nan 8.230 nan 0.000 0.467 56 P HA -0.051 nan 4.420 nan 0.000 0.221 56 P C -0.031 177.018 177.300 -0.419 0.000 1.150 56 P CA 1.052 63.785 63.100 -0.613 0.000 0.800 56 P CB 0.028 31.249 31.700 -0.798 0.000 0.787 57 I N -4.818 115.446 120.570 -0.511 0.000 2.603 57 I HA 0.511 4.682 4.170 0.003 0.000 0.300 57 I C -0.731 175.304 176.117 -0.135 0.000 1.017 57 I CA -1.760 59.392 61.300 -0.247 0.000 1.098 57 I CB 1.658 39.439 38.000 -0.365 0.000 1.279 57 I HN -0.323 nan 8.210 nan 0.000 0.437 58 Y N 4.510 124.753 120.300 -0.095 0.000 2.477 58 Y HA 0.507 5.059 4.550 0.003 0.000 0.349 58 Y C -0.619 175.270 175.900 -0.018 0.000 0.977 58 Y CA -0.241 57.828 58.100 -0.053 0.000 1.214 58 Y CB 0.487 38.946 38.460 -0.003 0.000 1.124 58 Y HN 0.567 nan 8.280 nan 0.000 0.521 59 E N 8.067 127.949 120.200 -0.530 0.000 2.187 59 E HA 0.311 4.662 4.350 0.003 0.000 0.268 59 E C -2.701 173.476 176.600 -0.704 0.000 0.896 59 E CA -2.606 53.447 56.400 -0.579 0.000 0.766 59 E CB 1.558 31.082 29.700 -0.293 0.000 1.142 59 E HN 0.486 nan 8.360 nan 0.000 0.408 60 P HA -0.017 nan 4.420 nan 0.000 0.255 60 P C 0.647 177.835 177.300 -0.187 0.000 1.173 60 P CA 1.013 63.913 63.100 -0.333 0.000 0.780 60 P CB 0.134 31.732 31.700 -0.171 0.000 0.758 61 G N 2.692 111.416 108.800 -0.127 0.000 2.148 61 G HA2 -0.317 3.644 3.960 0.003 0.000 0.254 61 G HA3 -0.317 3.644 3.960 0.003 0.000 0.254 61 G C 0.539 175.342 174.900 -0.162 0.000 0.981 61 G CA 0.308 45.344 45.100 -0.108 0.000 0.670 61 G HN 0.572 nan 8.290 nan 0.000 0.528 62 L N -0.202 120.908 121.223 -0.190 0.000 2.127 62 L HA 0.255 4.596 4.340 0.003 0.000 0.203 62 L C 2.278 178.983 176.870 -0.275 0.000 1.080 62 L CA 2.281 56.997 54.840 -0.206 0.000 0.768 62 L CB -0.316 41.637 42.059 -0.176 0.000 0.924 62 L HN 0.097 nan 8.230 nan 0.000 0.444 63 D N 0.758 120.979 120.400 -0.298 0.000 2.204 63 D HA -0.312 4.329 4.640 0.003 0.000 0.189 63 D C 1.944 177.885 176.300 -0.600 0.000 1.006 63 D CA 2.243 55.900 54.000 -0.573 0.000 0.855 63 D CB -0.361 40.335 40.800 -0.173 0.000 0.946 63 D HN 0.753 nan 8.370 nan 0.000 0.448 64 E N 0.196 120.261 120.200 -0.225 0.000 2.358 64 E HA -0.097 4.254 4.350 0.003 0.000 0.195 64 E C 1.928 178.425 176.600 -0.173 0.000 1.010 64 E CA 0.375 56.722 56.400 -0.089 0.000 0.856 64 E CB 0.019 29.705 29.700 -0.024 0.000 0.795 64 E HN 0.224 nan 8.360 nan 0.000 0.504 65 I N 1.431 121.823 120.570 -0.297 0.000 2.333 65 I HA -0.135 4.037 4.170 0.003 0.000 0.246 65 I C 2.499 178.458 176.117 -0.263 0.000 1.106 65 I CA 0.528 61.584 61.300 -0.407 0.000 1.411 65 I CB -0.889 36.824 38.000 -0.478 0.000 1.082 65 I HN 0.029 nan 8.210 nan 0.000 0.420 66 V N 0.900 120.653 119.914 -0.268 0.000 2.270 66 V HA -0.240 3.882 4.120 0.003 0.000 0.245 66 V C 2.438 178.504 176.094 -0.047 0.000 1.043 66 V CA 1.682 63.877 62.300 -0.175 0.000 1.014 66 V CB -0.765 30.959 31.823 -0.164 0.000 0.645 66 V HN 0.121 nan 8.190 nan 0.000 0.447 67 F N 1.022 120.977 119.950 0.009 0.000 2.216 67 F HA -0.025 4.504 4.527 0.003 0.000 0.300 67 F C 2.302 178.087 175.800 -0.024 0.000 1.085 67 F CA 0.822 58.825 58.000 0.005 0.000 1.326 67 F CB -1.243 37.761 39.000 0.007 0.000 1.027 67 F HN 0.144 nan 8.300 nan 0.000 0.497 68 A N -1.085 121.813 122.820 0.130 0.000 2.259 68 A HA 0.521 4.843 4.320 0.003 0.000 0.208 68 A C 1.876 179.466 177.584 0.009 0.000 1.201 68 A CA 0.963 53.037 52.037 0.061 0.000 0.824 68 A CB -0.760 18.271 19.000 0.051 0.000 0.838 68 A HN 0.255 nan 8.150 nan 0.000 0.485 69 A N -0.927 121.876 122.820 -0.028 0.000 2.141 69 A HA 0.308 4.629 4.320 0.003 0.000 0.196 69 A C 1.112 178.575 177.584 -0.201 0.000 1.502 69 A CA -0.113 51.860 52.037 -0.107 0.000 1.075 69 A CB -0.124 18.800 19.000 -0.125 0.000 1.217 69 A HN 0.338 nan 8.150 nan 0.000 0.477 70 R N 0.550 120.971 120.500 -0.131 0.000 2.480 70 R HA 0.316 4.657 4.340 0.003 0.000 0.303 70 R C 1.198 177.359 176.300 -0.231 0.000 0.985 70 R CA 1.350 57.346 56.100 -0.174 0.000 1.051 70 R CB -0.200 30.161 30.300 0.102 0.000 0.935 70 R HN 1.016 nan 8.270 nan 0.000 0.410 71 G N 3.932 112.425 108.800 -0.513 0.000 2.299 71 G HA2 -0.340 3.622 3.960 0.003 0.000 0.237 71 G HA3 -0.340 3.622 3.960 0.003 0.000 0.237 71 G C 0.951 175.611 174.900 -0.399 0.000 1.027 71 G CA 0.423 45.285 45.100 -0.397 0.000 0.619 71 G HN 0.645 nan 8.290 nan 0.000 0.513 72 R N 0.411 120.685 120.500 -0.377 0.000 2.033 72 R HA 0.172 4.514 4.340 0.003 0.000 0.219 72 R C 1.970 178.167 176.300 -0.172 0.000 1.223 72 R CA 1.427 57.417 56.100 -0.183 0.000 0.971 72 R CB -0.277 29.958 30.300 -0.108 0.000 0.855 72 R HN 0.499 nan 8.270 nan 0.000 0.452 73 N N -0.049 118.510 118.700 -0.235 0.000 2.160 73 N HA 0.051 4.792 4.740 0.003 0.000 0.226 73 N C -0.722 174.647 175.510 -0.235 0.000 1.256 73 N CA -0.157 52.828 53.050 -0.108 0.000 0.890 73 N CB 0.485 38.955 38.487 -0.029 0.000 1.116 73 N HN 0.033 nan 8.380 nan 0.000 0.517 74 L N 0.842 121.747 121.223 -0.529 0.000 2.307 74 L HA 0.666 5.007 4.340 0.003 0.000 0.284 74 L C -1.665 174.651 176.870 -0.924 0.000 1.023 74 L CA -0.533 53.964 54.840 -0.572 0.000 0.810 74 L CB 0.797 42.562 42.059 -0.491 0.000 1.231 74 L HN -0.043 nan 8.230 nan 0.000 0.423 75 F N 4.801 124.470 119.950 -0.468 0.000 2.557 75 F HA 0.484 5.012 4.527 0.003 0.000 0.316 75 F C -0.916 174.575 175.800 -0.515 0.000 1.141 75 F CA -0.348 57.435 58.000 -0.362 0.000 0.922 75 F CB 1.573 40.467 39.000 -0.177 0.000 1.194 75 F HN 0.179 nan 8.300 nan 0.000 0.443 76 F N 1.922 121.939 119.950 0.112 0.000 2.388 76 F HA 0.570 5.099 4.527 0.003 0.000 0.358 76 F C 0.352 176.209 175.800 0.095 0.000 1.122 76 F CA -0.578 57.455 58.000 0.056 0.000 1.056 76 F CB 1.715 40.751 39.000 0.060 0.000 1.155 76 F HN 0.328 nan 8.300 nan 0.000 0.461 77 S N 0.777 116.607 115.700 0.217 0.000 2.568 77 S HA 0.474 4.946 4.470 0.003 0.000 0.293 77 S C 0.478 175.147 174.600 0.115 0.000 1.089 77 S CA -0.266 58.017 58.200 0.139 0.000 0.945 77 S CB 1.517 64.759 63.200 0.070 0.000 1.077 77 S HN 0.629 nan 8.310 nan 0.000 0.485 78 S N 1.548 117.299 115.700 0.085 0.000 2.540 78 S HA 0.193 4.665 4.470 0.003 0.000 0.218 78 S C 0.038 174.651 174.600 0.022 0.000 0.977 78 S CA -0.124 58.111 58.200 0.059 0.000 0.918 78 S CB -0.052 63.184 63.200 0.059 0.000 0.806 78 S HN 0.641 nan 8.310 nan 0.000 0.496 79 D N 2.197 122.601 120.400 0.007 0.000 2.551 79 D HA 0.273 4.915 4.640 0.003 0.000 0.223 79 D C 1.123 177.390 176.300 -0.055 0.000 1.144 79 D CA -0.179 53.800 54.000 -0.035 0.000 1.025 79 D CB -0.320 40.456 40.800 -0.041 0.000 1.085 79 D HN 0.399 nan 8.370 nan 0.000 0.506 80 I N 2.647 123.183 120.570 -0.056 0.000 2.099 80 I HA -0.211 3.961 4.170 0.003 0.000 0.239 80 I C -0.594 175.450 176.117 -0.123 0.000 1.066 80 I CA 0.850 62.118 61.300 -0.054 0.000 1.324 80 I CB -1.302 36.689 38.000 -0.014 0.000 1.037 80 I HN 0.255 nan 8.210 nan 0.000 0.401 81 P HA -0.228 nan 4.420 nan 0.000 0.216 81 P C 1.544 178.693 177.300 -0.253 0.000 1.150 81 P CA 1.562 64.325 63.100 -0.562 0.000 0.843 81 P CB -0.133 30.837 31.700 -1.216 0.000 0.787 82 K N -0.092 120.199 120.400 -0.182 0.000 2.031 82 K HA -0.062 4.260 4.320 0.003 0.000 0.205 82 K C 1.987 178.549 176.600 -0.064 0.000 1.049 82 K CA 1.512 57.738 56.287 -0.102 0.000 0.939 82 K CB -0.668 31.777 32.500 -0.092 0.000 0.717 82 K HN -0.036 nan 8.250 nan 0.000 0.438 83 A N 1.866 124.651 122.820 -0.059 0.000 1.933 83 A HA -0.111 4.210 4.320 0.003 0.000 0.218 83 A C 2.067 179.644 177.584 -0.012 0.000 1.175 83 A CA 1.126 53.139 52.037 -0.040 0.000 0.628 83 A CB -0.426 18.557 19.000 -0.029 0.000 0.814 83 A HN 0.316 nan 8.150 nan 0.000 0.444 84 I N 0.175 120.748 120.570 0.005 0.000 2.163 84 I HA -0.273 3.899 4.170 0.003 0.000 0.243 84 I C 2.927 179.076 176.117 0.054 0.000 1.085 84 I CA 1.480 62.810 61.300 0.050 0.000 1.347 84 I CB -1.673 36.386 38.000 0.100 0.000 1.044 84 I HN 0.368 nan 8.210 nan 0.000 0.408 85 A N 0.389 123.233 122.820 0.040 0.000 1.902 85 A HA -0.205 4.116 4.320 0.003 0.000 0.217 85 A C 2.241 179.829 177.584 0.008 0.000 1.181 85 A CA 1.673 53.734 52.037 0.040 0.000 0.623 85 A CB -0.595 18.425 19.000 0.034 0.000 0.818 85 A HN 0.516 nan 8.150 nan 0.000 0.443 86 E N 0.041 120.233 120.200 -0.013 0.000 2.158 86 E HA 0.212 4.564 4.350 0.003 0.000 0.191 86 E C 1.097 177.682 176.600 -0.024 0.000 0.982 86 E CA 0.186 56.569 56.400 -0.029 0.000 0.823 86 E CB -0.237 29.432 29.700 -0.052 0.000 0.766 86 E HN 0.611 nan 8.360 nan 0.000 0.468 87 A N 1.548 124.360 122.820 -0.013 0.000 2.466 87 A HA -0.031 4.291 4.320 0.003 0.000 0.238 87 A C 0.247 177.825 177.584 -0.011 0.000 1.074 87 A CA 0.010 52.040 52.037 -0.013 0.000 0.774 87 A CB 0.265 19.264 19.000 -0.002 0.000 1.015 87 A HN 0.012 nan 8.150 nan 0.000 0.498 88 D N -0.260 120.132 120.400 -0.014 0.000 2.323 88 D HA 0.169 4.811 4.640 0.003 0.000 0.218 88 D C 0.093 176.391 176.300 -0.004 0.000 0.973 88 D CA 0.706 54.705 54.000 -0.002 0.000 0.890 88 D CB 0.070 40.872 40.800 0.003 0.000 1.011 88 D HN 0.342 nan 8.370 nan 0.000 0.499 89 L N 0.709 121.900 121.223 -0.053 0.000 2.410 89 L HA 0.465 4.806 4.340 0.003 0.000 0.270 89 L C -1.612 175.146 176.870 -0.187 0.000 0.983 89 L CA -0.612 54.144 54.840 -0.140 0.000 0.822 89 L CB 2.162 44.090 42.059 -0.218 0.000 1.285 89 L HN -0.236 nan 8.230 nan 0.000 0.409 90 I N 4.413 124.860 120.570 -0.205 0.000 2.410 90 I HA 0.350 4.522 4.170 0.003 0.000 0.286 90 I C -0.905 175.086 176.117 -0.210 0.000 1.009 90 I CA -0.276 60.946 61.300 -0.130 0.000 1.111 90 I CB 1.371 39.374 38.000 0.004 0.000 1.262 90 I HN 0.328 nan 8.210 nan 0.000 0.443 91 F N 6.164 126.136 119.950 0.036 0.000 2.399 91 F HA 0.460 4.988 4.527 0.003 0.000 0.342 91 F C 0.447 176.269 175.800 0.038 0.000 1.106 91 F CA -0.346 57.677 58.000 0.037 0.000 1.196 91 F CB 0.763 39.781 39.000 0.030 0.000 1.163 91 F HN 0.195 nan 8.300 nan 0.000 0.547 92 I N 2.026 122.737 120.570 0.235 0.000 2.339 92 I HA 0.245 4.416 4.170 0.003 0.000 0.290 92 I C 0.012 176.211 176.117 0.138 0.000 0.994 92 I CA -0.250 61.142 61.300 0.153 0.000 1.191 92 I CB 1.574 39.642 38.000 0.113 0.000 1.343 92 I HN 0.498 nan 8.210 nan 0.000 0.458 93 S N 6.447 122.209 115.700 0.103 0.000 2.300 93 S HA 0.449 4.921 4.470 0.003 0.000 0.172 93 S C -0.548 174.081 174.600 0.047 0.000 1.484 93 S CA -0.496 57.745 58.200 0.068 0.000 1.265 93 S CB -0.071 63.158 63.200 0.048 0.000 1.313 93 S HN 0.357 nan 8.310 nan 0.000 0.387 94 V N 1.514 121.457 119.914 0.049 0.000 2.994 94 V HA 0.623 4.744 4.120 0.003 0.000 0.318 94 V C 0.396 176.519 176.094 0.048 0.000 1.085 94 V CA -1.502 60.807 62.300 0.015 0.000 0.998 94 V CB 1.040 32.863 31.823 0.001 0.000 1.063 94 V HN 0.607 nan 8.190 nan 0.000 0.447 95 N N 1.415 120.134 118.700 0.031 0.000 2.381 95 N HA 0.154 4.896 4.740 0.003 0.000 0.241 95 N C 0.080 175.712 175.510 0.204 0.000 1.279 95 N CA 0.497 53.608 53.050 0.101 0.000 0.896 95 N CB 0.421 38.965 38.487 0.096 0.000 1.118 95 N HN 0.976 nan 8.380 nan 0.000 0.438 96 T N -2.479 112.149 114.554 0.125 0.000 3.327 96 T HA 0.289 4.641 4.350 0.003 0.000 0.373 96 T C -2.667 172.057 174.700 0.041 0.000 1.589 96 T CA -1.717 60.437 62.100 0.090 0.000 1.497 96 T CB 0.930 69.823 68.868 0.041 0.000 1.032 96 T HN 0.261 nan 8.240 nan 0.000 0.640 97 P HA 0.173 nan 4.420 nan 0.000 0.270 97 P C -0.008 177.259 177.300 -0.054 0.000 1.223 97 P CA -0.016 63.092 63.100 0.014 0.000 0.785 97 P CB 0.428 32.153 31.700 0.042 0.000 0.923 98 T N 1.997 116.512 114.554 -0.066 0.000 2.901 98 T HA 0.098 4.450 4.350 0.003 0.000 0.301 98 T C 0.535 175.135 174.700 -0.165 0.000 1.012 98 T CA -0.424 61.613 62.100 -0.104 0.000 1.135 98 T CB 0.043 68.862 68.868 -0.081 0.000 0.936 98 T HN 0.233 nan 8.240 nan 0.000 0.539 99 K N 2.955 123.227 120.400 -0.214 0.000 2.504 99 K HA -0.006 4.315 4.320 0.003 0.000 0.278 99 K C 1.076 177.476 176.600 -0.332 0.000 1.025 99 K CA 0.104 56.206 56.287 -0.308 0.000 1.093 99 K CB 0.257 32.587 32.500 -0.283 0.000 0.873 99 K HN 0.509 nan 8.250 nan 0.000 0.483 100 M N 2.599 121.868 119.600 -0.552 0.000 2.509 100 M HA 0.039 4.521 4.480 0.003 0.000 0.250 100 M C -0.437 175.695 176.300 -0.280 0.000 1.132 100 M CA 0.755 55.807 55.300 -0.413 0.000 1.080 100 M CB -0.367 31.997 32.600 -0.393 0.000 1.408 100 M HN 0.532 nan 8.290 nan 0.000 0.484 101 Y N -3.007 117.274 120.300 -0.032 0.000 2.713 101 Y HA 0.649 5.201 4.550 0.003 0.000 0.335 101 Y C 0.250 176.131 175.900 -0.033 0.000 1.222 101 Y CA -1.327 56.759 58.100 -0.024 0.000 1.061 101 Y CB -0.071 38.380 38.460 -0.016 0.000 1.314 101 Y HN 0.209 nan 8.280 nan 0.000 0.453 102 G N 0.853 109.793 108.800 0.233 0.000 2.593 102 G HA2 -0.238 3.723 3.960 0.003 0.000 0.237 102 G HA3 -0.238 3.723 3.960 0.003 0.000 0.237 102 G C -0.740 174.199 174.900 0.064 0.000 1.312 102 G CA -0.240 44.949 45.100 0.147 0.000 0.896 102 G HN 1.011 nan 8.290 nan 0.000 0.574 103 R N 1.365 121.897 120.500 0.052 0.000 2.402 103 R HA 0.437 4.779 4.340 0.003 0.000 0.331 103 R C 1.446 177.714 176.300 -0.053 0.000 1.040 103 R CA 1.631 57.764 56.100 0.054 0.000 0.980 103 R CB -0.723 29.630 30.300 0.089 0.000 0.967 103 R HN 2.430 nan 8.270 nan 0.000 0.440 104 G N 3.488 112.246 108.800 -0.071 0.000 2.132 104 G HA2 -0.313 3.649 3.960 0.003 0.000 0.228 104 G HA3 -0.313 3.649 3.960 0.003 0.000 0.228 104 G C 0.017 174.762 174.900 -0.258 0.000 1.000 104 G CA 0.130 45.002 45.100 -0.380 0.000 0.693 104 G HN 0.650 nan 8.290 nan 0.000 0.515 105 K N 0.364 120.696 120.400 -0.114 0.000 2.473 105 K HA 0.314 4.635 4.320 0.003 0.000 0.277 105 K C 1.692 178.248 176.600 -0.073 0.000 1.052 105 K CA 1.457 57.693 56.287 -0.085 0.000 1.114 105 K CB -0.545 31.950 32.500 -0.009 0.000 0.869 105 K HN 1.594 nan 8.250 nan 0.000 0.481 106 G N 3.591 112.336 108.800 -0.092 0.000 2.205 106 G HA2 -0.286 3.675 3.960 0.003 0.000 0.261 106 G HA3 -0.286 3.675 3.960 0.003 0.000 0.261 106 G C 0.595 175.462 174.900 -0.055 0.000 0.980 106 G CA 0.611 45.678 45.100 -0.055 0.000 0.632 106 G HN 0.635 nan 8.290 nan 0.000 0.533 107 M N -0.747 118.789 119.600 -0.108 0.000 2.227 107 M HA 0.439 4.920 4.480 0.003 0.000 0.226 107 M C 1.250 177.441 176.300 -0.183 0.000 1.423 107 M CA 0.769 56.017 55.300 -0.087 0.000 1.055 107 M CB 0.746 33.342 32.600 -0.007 0.000 1.572 107 M HN 0.495 nan 8.290 nan 0.000 0.567 108 A N 2.657 125.227 122.820 -0.417 0.000 2.328 108 A HA 0.565 4.887 4.320 0.003 0.000 0.284 108 A C -2.492 174.944 177.584 -0.246 0.000 1.160 108 A CA -1.301 50.428 52.037 -0.512 0.000 0.818 108 A CB -0.450 17.970 19.000 -0.968 0.000 1.087 108 A HN 0.005 nan 8.150 nan 0.000 0.504 109 P HA 0.092 nan 4.420 nan 0.000 0.271 109 P C -0.747 176.495 177.300 -0.096 0.000 1.226 109 P CA -0.051 62.998 63.100 -0.085 0.000 0.765 109 P CB 0.525 32.207 31.700 -0.031 0.000 0.835 110 D N 3.305 123.639 120.400 -0.110 0.000 2.342 110 D HA 0.017 4.658 4.640 0.003 0.000 0.260 110 D C 0.723 176.966 176.300 -0.095 0.000 1.278 110 D CA 0.192 54.118 54.000 -0.124 0.000 0.910 110 D CB 0.178 40.875 40.800 -0.171 0.000 1.079 110 D HN 0.319 nan 8.370 nan 0.000 0.496 111 L N 4.062 125.244 121.223 -0.069 0.000 2.660 111 L HA -0.020 4.322 4.340 0.003 0.000 0.238 111 L C 2.117 178.956 176.870 -0.052 0.000 1.161 111 L CA 0.106 54.926 54.840 -0.032 0.000 0.937 111 L CB -0.104 41.949 42.059 -0.009 0.000 1.122 111 L HN 0.422 nan 8.230 nan 0.000 0.435 112 K N -1.605 118.706 120.400 -0.148 0.000 2.155 112 K HA -0.161 4.160 4.320 0.003 0.000 0.203 112 K C 1.485 177.994 176.600 -0.151 0.000 1.052 112 K CA 1.194 57.362 56.287 -0.198 0.000 0.948 112 K CB -0.270 32.035 32.500 -0.324 0.000 0.728 112 K HN 0.100 nan 8.250 nan 0.000 0.448 113 Y N 1.595 121.906 120.300 0.018 0.000 2.243 113 Y HA -0.032 4.520 4.550 0.003 0.000 0.293 113 Y C 2.464 178.381 175.900 0.029 0.000 1.124 113 Y CA -0.014 58.102 58.100 0.026 0.000 1.159 113 Y CB -0.615 37.861 38.460 0.027 0.000 1.008 113 Y HN -0.205 nan 8.280 nan 0.000 0.527 114 V N 0.390 120.409 119.914 0.176 0.000 2.453 114 V HA -0.303 3.818 4.120 0.003 0.000 0.252 114 V C 2.320 178.458 176.094 0.073 0.000 1.068 114 V CA 2.250 64.614 62.300 0.107 0.000 1.070 114 V CB -0.446 31.425 31.823 0.079 0.000 0.664 114 V HN 0.445 nan 8.190 nan 0.000 0.461 115 E N -0.449 119.783 120.200 0.054 0.000 2.051 115 E HA -0.171 4.181 4.350 0.003 0.000 0.189 115 E C 2.480 179.106 176.600 0.044 0.000 0.979 115 E CA 1.177 57.596 56.400 0.030 0.000 0.803 115 E CB -0.066 29.638 29.700 0.006 0.000 0.761 115 E HN 0.518 nan 8.360 nan 0.000 0.451 116 S N -0.213 115.530 115.700 0.072 0.000 2.353 116 S HA -0.139 4.332 4.470 0.003 0.000 0.222 116 S C 2.035 176.690 174.600 0.091 0.000 1.035 116 S CA 1.348 59.603 58.200 0.091 0.000 1.025 116 S CB -0.177 63.113 63.200 0.149 0.000 0.902 116 S HN 0.177 nan 8.310 nan 0.000 0.440 117 V N 1.216 121.192 119.914 0.104 0.000 2.427 117 V HA -0.094 4.028 4.120 0.003 0.000 0.248 117 V C 2.534 178.669 176.094 0.068 0.000 1.051 117 V CA 1.974 64.331 62.300 0.095 0.000 1.048 117 V CB -0.921 30.962 31.823 0.099 0.000 0.666 117 V HN 0.448 nan 8.190 nan 0.000 0.456 118 S N -0.507 115.219 115.700 0.044 0.000 2.400 118 S HA -0.191 4.281 4.470 0.003 0.000 0.232 118 S C 2.096 176.686 174.600 -0.016 0.000 1.025 118 S CA 1.419 59.620 58.200 0.000 0.000 0.993 118 S CB -0.280 62.911 63.200 -0.015 0.000 0.808 118 S HN 0.537 nan 8.310 nan 0.000 0.478 119 R N 0.305 120.810 120.500 0.008 0.000 2.119 119 R HA 0.027 4.368 4.340 0.003 0.000 0.222 119 R C 2.363 178.671 176.300 0.013 0.000 1.088 119 R CA 1.363 57.461 56.100 -0.003 0.000 0.984 119 R CB -0.555 29.748 30.300 0.006 0.000 0.884 119 R HN 0.316 nan 8.270 nan 0.000 0.447 120 T N 1.519 116.114 114.554 0.068 0.000 2.746 120 T HA -0.087 4.265 4.350 0.003 0.000 0.267 120 T C 1.874 176.672 174.700 0.165 0.000 1.039 120 T CA 1.109 63.297 62.100 0.147 0.000 1.142 120 T CB -0.122 68.862 68.868 0.193 0.000 0.866 120 T HN 0.130 nan 8.240 nan 0.000 0.444 121 I N 1.482 122.119 120.570 0.112 0.000 2.208 121 I HA -0.205 3.967 4.170 0.003 0.000 0.245 121 I C 2.905 179.084 176.117 0.104 0.000 1.097 121 I CA 1.150 62.523 61.300 0.120 0.000 1.363 121 I CB -0.492 37.555 38.000 0.079 0.000 1.051 121 I HN 0.188 nan 8.210 nan 0.000 0.413 122 A N -0.200 122.626 122.820 0.009 0.000 1.908 122 A HA -0.279 4.042 4.320 0.003 0.000 0.218 122 A C 2.325 179.908 177.584 -0.002 0.000 1.181 122 A CA 1.794 53.825 52.037 -0.011 0.000 0.627 122 A CB -0.607 18.352 19.000 -0.068 0.000 0.818 122 A HN 0.494 nan 8.150 nan 0.000 0.445 123 Q N -1.578 118.167 119.800 -0.093 0.000 1.969 123 Q HA -0.112 4.230 4.340 0.003 0.000 0.198 123 Q C 0.599 176.461 176.000 -0.231 0.000 0.978 123 Q CA 1.351 56.990 55.803 -0.273 0.000 0.830 123 Q CB -0.084 28.297 28.738 -0.595 0.000 0.896 123 Q HN 0.754 nan 8.270 nan 0.000 0.431 124 Y N -0.128 120.205 120.300 0.055 0.000 2.676 124 Y HA 0.257 4.809 4.550 0.003 0.000 0.331 124 Y C 1.136 177.070 175.900 0.056 0.000 1.128 124 Y CA 0.014 58.142 58.100 0.047 0.000 1.360 124 Y CB -0.506 37.976 38.460 0.038 0.000 1.176 124 Y HN 0.219 nan 8.280 nan 0.000 0.518 125 A N 0.341 123.266 122.820 0.175 0.000 1.824 125 A HA 0.313 4.635 4.320 0.003 0.000 0.215 125 A C 2.365 179.998 177.584 0.082 0.000 1.244 125 A CA 1.916 54.048 52.037 0.159 0.000 0.604 125 A CB -1.126 18.010 19.000 0.227 0.000 0.900 125 A HN 0.638 nan 8.150 nan 0.000 0.455 126 G N -2.724 106.103 108.800 0.045 0.000 2.659 126 G HA2 0.132 4.093 3.960 0.003 0.000 0.212 126 G HA3 0.132 4.093 3.960 0.003 0.000 0.212 126 G C 0.944 175.813 174.900 -0.051 0.000 1.226 126 G CA 0.645 45.747 45.100 0.004 0.000 0.739 126 G HN 1.852 nan 8.290 nan 0.000 0.528 127 G N 0.205 108.949 108.800 -0.093 0.000 3.135 127 G HA2 0.735 4.696 3.960 0.003 0.000 0.278 127 G HA3 0.735 4.696 3.960 0.003 0.000 0.278 127 G C -3.185 171.527 174.900 -0.314 0.000 1.302 127 G CA -0.417 44.581 45.100 -0.170 0.000 0.880 127 G HN 0.354 nan 8.290 nan 0.000 0.574 128 P HA 0.286 nan 4.420 nan 0.000 0.271 128 P C -0.808 176.315 177.300 -0.295 0.000 1.220 128 P CA 0.064 62.866 63.100 -0.496 0.000 0.768 128 P CB 0.805 32.153 31.700 -0.585 0.000 0.848 129 K N 3.021 123.277 120.400 -0.240 0.000 2.328 129 K HA 0.525 4.847 4.320 0.003 0.000 0.246 129 K C -0.104 176.679 176.600 0.306 0.000 0.955 129 K CA -0.841 55.494 56.287 0.080 0.000 0.817 129 K CB 2.066 34.666 32.500 0.167 0.000 1.208 129 K HN 0.372 nan 8.250 nan 0.000 0.432 130 I N 1.729 122.430 120.570 0.218 0.000 2.342 130 I HA 0.184 4.356 4.170 0.003 0.000 0.291 130 I C -0.247 175.887 176.117 0.028 0.000 1.010 130 I CA -0.969 60.381 61.300 0.083 0.000 1.308 130 I CB 1.265 39.219 38.000 -0.076 0.000 1.400 130 I HN 0.009 nan 8.210 nan 0.000 0.488 131 V N 7.455 127.399 119.914 0.050 0.000 2.417 131 V HA 0.413 4.535 4.120 0.003 0.000 0.291 131 V C -0.131 175.951 176.094 -0.021 0.000 1.024 131 V CA -0.627 61.686 62.300 0.023 0.000 0.861 131 V CB 1.911 33.779 31.823 0.074 0.000 0.985 131 V HN 0.409 nan 8.190 nan 0.000 0.436 132 V N 4.299 124.185 119.914 -0.046 0.000 2.483 132 V HA 0.394 4.516 4.120 0.003 0.000 0.297 132 V C -0.122 176.053 176.094 0.134 0.000 1.027 132 V CA -0.860 61.446 62.300 0.009 0.000 0.855 132 V CB 1.831 33.596 31.823 -0.096 0.000 0.995 132 V HN 0.934 nan 8.190 nan 0.000 0.424 133 E N 3.442 123.712 120.200 0.118 0.000 2.217 133 E HA 0.226 4.578 4.350 0.003 0.000 0.279 133 E C 0.212 176.899 176.600 0.145 0.000 1.068 133 E CA -0.255 56.217 56.400 0.120 0.000 0.882 133 E CB 1.514 31.264 29.700 0.083 0.000 1.039 133 E HN 0.565 nan 8.360 nan 0.000 0.418 134 K N 2.009 122.498 120.400 0.148 0.000 2.325 134 K HA 0.020 4.341 4.320 0.003 0.000 0.203 134 K C 0.547 177.149 176.600 0.004 0.000 1.128 134 K CA 0.299 56.643 56.287 0.095 0.000 0.931 134 K CB 0.360 32.911 32.500 0.085 0.000 1.125 134 K HN 0.448 nan 8.250 nan 0.000 0.487 135 S N 0.152 115.863 115.700 0.019 0.000 2.614 135 S HA 0.195 4.666 4.470 0.003 0.000 0.265 135 S C -0.120 174.468 174.600 -0.018 0.000 1.303 135 S CA -0.669 57.525 58.200 -0.009 0.000 1.000 135 S CB 0.926 64.135 63.200 0.017 0.000 0.935 135 S HN 0.201 nan 8.310 nan 0.000 0.551 136 T N 1.997 116.525 114.554 -0.043 0.000 2.888 136 T HA 0.436 4.788 4.350 0.003 0.000 0.301 136 T C 0.310 175.007 174.700 -0.005 0.000 1.001 136 T CA -0.407 61.666 62.100 -0.046 0.000 1.147 136 T CB -0.042 68.786 68.868 -0.068 0.000 0.931 136 T HN 0.915 nan 8.240 nan 0.000 0.541 137 V N 1.500 121.419 119.914 0.008 0.000 2.960 137 V HA 0.780 4.901 4.120 0.003 0.000 0.315 137 V C -2.595 173.518 176.094 0.033 0.000 1.087 137 V CA -2.946 59.373 62.300 0.031 0.000 0.982 137 V CB 1.469 33.324 31.823 0.054 0.000 1.039 137 V HN 0.580 nan 8.190 nan 0.000 0.437 138 P HA 0.205 nan 4.420 nan 0.000 0.272 138 P C -0.080 177.252 177.300 0.054 0.000 1.223 138 P CA -0.060 63.068 63.100 0.046 0.000 0.784 138 P CB 0.808 32.541 31.700 0.055 0.000 0.923 139 V N 4.059 124.000 119.914 0.045 0.000 2.788 139 V HA -0.080 4.041 4.120 0.003 0.000 0.307 139 V C 1.384 177.465 176.094 -0.020 0.000 1.069 139 V CA 0.432 62.760 62.300 0.047 0.000 1.173 139 V CB -0.695 31.136 31.823 0.015 0.000 0.925 139 V HN 0.720 nan 8.190 nan 0.000 0.492 140 K N 1.329 121.712 120.400 -0.028 0.000 3.341 140 K HA -0.269 4.053 4.320 0.003 0.000 0.305 140 K C 1.208 177.810 176.600 0.004 0.000 1.270 140 K CA 1.013 57.170 56.287 -0.217 0.000 0.897 140 K CB -2.140 30.073 32.500 -0.479 0.000 1.264 140 K HN 0.965 nan 8.250 nan 0.000 0.468 141 A N 0.644 123.521 122.820 0.095 0.000 2.067 141 A HA 0.129 4.451 4.320 0.003 0.000 0.219 141 A C 2.376 180.040 177.584 0.134 0.000 1.158 141 A CA 1.813 53.905 52.037 0.092 0.000 0.661 141 A CB -0.239 18.811 19.000 0.083 0.000 0.801 141 A HN 0.539 nan 8.150 nan 0.000 0.452 142 A N -0.476 122.492 122.820 0.246 0.000 2.014 142 A HA -0.086 4.235 4.320 0.003 0.000 0.218 142 A C 1.883 179.613 177.584 0.244 0.000 1.163 142 A CA 1.447 53.629 52.037 0.242 0.000 0.652 142 A CB -0.376 18.786 19.000 0.269 0.000 0.808 142 A HN 0.613 nan 8.150 nan 0.000 0.449 143 E N 0.016 120.391 120.200 0.291 0.000 2.085 143 E HA -0.140 4.212 4.350 0.003 0.000 0.194 143 E C 2.173 178.823 176.600 0.084 0.000 0.994 143 E CA 1.436 57.943 56.400 0.179 0.000 0.801 143 E CB -0.011 29.721 29.700 0.054 0.000 0.743 143 E HN 0.637 nan 8.360 nan 0.000 0.453 144 S N 0.318 116.054 115.700 0.060 0.000 2.371 144 S HA -0.100 4.372 4.470 0.003 0.000 0.224 144 S C 1.976 176.586 174.600 0.018 0.000 1.029 144 S CA 0.722 58.939 58.200 0.029 0.000 0.978 144 S CB -0.159 63.055 63.200 0.023 0.000 0.833 144 S HN 0.223 nan 8.310 nan 0.000 0.466 145 I N 1.948 122.534 120.570 0.028 0.000 2.099 145 I HA -0.178 3.994 4.170 0.003 0.000 0.239 145 I C 2.851 178.944 176.117 -0.040 0.000 1.066 145 I CA 1.346 62.643 61.300 -0.005 0.000 1.324 145 I CB -1.235 36.773 38.000 0.014 0.000 1.037 145 I HN 0.385 nan 8.210 nan 0.000 0.401 146 G N 0.062 108.864 108.800 0.004 0.000 2.545 146 G HA2 -0.315 3.647 3.960 0.003 0.000 0.222 146 G HA3 -0.315 3.647 3.960 0.003 0.000 0.222 146 G C 1.675 176.564 174.900 -0.017 0.000 1.126 146 G CA 1.340 46.442 45.100 0.003 0.000 0.754 146 G HN 0.447 nan 8.290 nan 0.000 0.583 147 C N -0.158 119.140 119.300 -0.004 0.000 2.475 147 C HA 0.206 4.667 4.460 0.003 0.000 0.279 147 C C 2.853 177.822 174.990 -0.036 0.000 1.322 147 C CA 0.261 59.275 59.018 -0.007 0.000 1.734 147 C CB -0.858 26.885 27.740 0.005 0.000 2.005 147 C HN 0.492 nan 8.230 nan 0.000 0.495 148 I N 0.797 121.334 120.570 -0.055 0.000 2.179 148 I HA -0.211 3.960 4.170 0.003 0.000 0.242 148 I C 2.260 178.298 176.117 -0.133 0.000 1.088 148 I CA 1.606 62.861 61.300 -0.075 0.000 1.357 148 I CB -0.345 37.615 38.000 -0.067 0.000 1.051 148 I HN 0.316 nan 8.210 nan 0.000 0.409 149 L N -0.070 121.011 121.223 -0.236 0.000 2.141 149 L HA -0.135 4.206 4.340 0.003 0.000 0.209 149 L C 2.539 179.253 176.870 -0.259 0.000 1.094 149 L CA 1.053 55.605 54.840 -0.481 0.000 0.763 149 L CB -0.584 40.898 42.059 -0.961 0.000 0.908 149 L HN 0.169 nan 8.230 nan 0.000 0.437 150 R N -0.014 120.429 120.500 -0.096 0.000 2.235 150 R HA -0.077 4.265 4.340 0.003 0.000 0.213 150 R C 1.549 177.866 176.300 0.028 0.000 1.059 150 R CA 0.509 56.623 56.100 0.022 0.000 0.997 150 R CB 0.032 30.354 30.300 0.036 0.000 0.884 150 R HN 0.329 nan 8.270 nan 0.000 0.462 151 E N -0.093 120.104 120.200 -0.005 0.000 2.502 151 E HA -0.017 4.334 4.350 0.003 0.000 0.194 151 E C 1.201 177.810 176.600 0.015 0.000 1.062 151 E CA 0.379 56.781 56.400 0.003 0.000 0.867 151 E CB 0.540 30.233 29.700 -0.012 0.000 0.888 151 E HN 0.309 nan 8.360 nan 0.000 0.510 152 A N 1.093 123.936 122.820 0.039 0.000 2.063 152 A HA -0.073 4.248 4.320 0.003 0.000 0.211 152 A C 1.927 179.585 177.584 0.124 0.000 1.177 152 A CA 0.286 52.374 52.037 0.087 0.000 0.759 152 A CB -0.017 19.066 19.000 0.138 0.000 0.857 152 A HN 0.191 nan 8.150 nan 0.000 0.468 153 Q N -0.379 119.513 119.800 0.152 0.000 2.246 153 Q HA 0.236 4.578 4.340 0.003 0.000 0.202 153 Q C 0.177 176.219 176.000 0.070 0.000 0.883 153 Q CA -0.361 55.517 55.803 0.125 0.000 0.952 153 Q CB 0.168 29.012 28.738 0.177 0.000 1.078 153 Q HN 0.232 nan 8.270 nan 0.000 0.493 160 K N 2.501 122.549 120.400 -0.586 0.000 2.761 160 K HA 0.604 4.925 4.320 0.003 0.000 0.257 160 K C -1.383 175.026 176.600 -0.318 0.000 1.053 160 K CA -0.146 55.928 56.287 -0.355 0.000 1.035 160 K CB 0.882 33.184 32.500 -0.331 0.000 1.267 160 K HN 0.102 nan 8.250 nan 0.000 0.505 161 F N 1.393 121.403 119.950 0.100 0.000 2.399 161 F HA 0.535 5.064 4.527 0.003 0.000 0.328 161 F C 0.508 176.476 175.800 0.281 0.000 1.084 161 F CA -0.393 57.723 58.000 0.194 0.000 1.053 161 F CB 1.457 40.518 39.000 0.102 0.000 1.209 161 F HN 0.128 nan 8.300 nan 0.000 0.502 162 Q N 1.736 121.802 119.800 0.444 0.000 2.323 162 Q HA 0.462 4.804 4.340 0.003 0.000 0.271 162 Q C -1.191 174.859 176.000 0.084 0.000 1.048 162 Q CA -0.743 55.151 55.803 0.153 0.000 0.792 162 Q CB 2.699 31.370 28.738 -0.111 0.000 1.280 162 Q HN 0.423 nan 8.270 nan 0.000 0.441 163 V N 3.561 123.501 119.914 0.043 0.000 2.439 163 V HA 0.527 4.649 4.120 0.003 0.000 0.282 163 V C 0.245 176.312 176.094 -0.046 0.000 1.039 163 V CA -0.528 61.778 62.300 0.011 0.000 0.913 163 V CB 1.147 32.984 31.823 0.023 0.000 0.983 163 V HN 0.556 nan 8.190 nan 0.000 0.460 164 L N 3.620 124.819 121.223 -0.040 0.000 2.354 164 L HA 0.653 4.995 4.340 0.003 0.000 0.264 164 L C 0.010 176.875 176.870 -0.009 0.000 1.008 164 L CA -0.466 54.341 54.840 -0.055 0.000 0.819 164 L CB 2.669 44.692 42.059 -0.060 0.000 1.339 164 L HN 0.785 nan 8.230 nan 0.000 0.420 165 S N 0.510 116.201 115.700 -0.015 0.000 2.437 165 S HA 0.503 4.975 4.470 0.003 0.000 0.305 165 S C -0.587 174.045 174.600 0.052 0.000 1.109 165 S CA -0.736 57.480 58.200 0.027 0.000 1.099 165 S CB 1.499 64.709 63.200 0.017 0.000 1.004 165 S HN 0.634 nan 8.310 nan 0.000 0.475 166 N N 2.626 121.383 118.700 0.094 0.000 2.707 166 N HA 0.425 5.166 4.740 0.003 0.000 0.249 166 N C -3.293 172.246 175.510 0.049 0.000 1.299 166 N CA -1.431 51.685 53.050 0.110 0.000 0.769 166 N CB 1.332 39.964 38.487 0.242 0.000 1.236 166 N HN 0.277 nan 8.380 nan 0.000 0.524 167 P HA 0.072 nan 4.420 nan 0.000 0.272 167 P C -0.594 176.495 177.300 -0.352 0.000 1.230 167 P CA -0.055 62.909 63.100 -0.226 0.000 0.788 167 P CB 0.507 31.983 31.700 -0.374 0.000 0.949 168 E N 2.174 122.132 120.200 -0.404 0.000 2.301 168 E HA 0.177 4.529 4.350 0.003 0.000 0.275 168 E C -1.540 174.707 176.600 -0.588 0.000 1.030 168 E CA -0.189 56.020 56.400 -0.317 0.000 0.852 168 E CB 0.260 29.866 29.700 -0.157 0.000 1.060 168 E HN 0.244 nan 8.360 nan 0.000 0.401 169 F N 4.024 123.961 119.950 -0.021 0.000 2.564 169 F HA 0.386 4.915 4.527 0.003 0.000 0.368 169 F C -0.697 175.103 175.800 -0.001 0.000 1.127 169 F CA -0.719 57.268 58.000 -0.022 0.000 1.170 169 F CB 1.081 40.057 39.000 -0.040 0.000 1.397 169 F HN 0.296 nan 8.300 nan 0.000 0.493 170 L N 2.388 123.683 121.223 0.121 0.000 2.580 170 L HA 0.793 5.135 4.340 0.003 0.000 0.266 170 L C -0.658 176.257 176.870 0.076 0.000 0.955 170 L CA -0.507 54.390 54.840 0.096 0.000 0.886 170 L CB 1.544 43.648 42.059 0.076 0.000 1.263 170 L HN 0.453 nan 8.230 nan 0.000 0.406 171 A N 3.136 126.012 122.820 0.093 0.000 2.282 171 A HA 0.623 4.945 4.320 0.003 0.000 0.319 171 A C -0.221 177.423 177.584 0.100 0.000 1.121 171 A CA -0.519 51.568 52.037 0.082 0.000 0.836 171 A CB 0.696 19.757 19.000 0.101 0.000 1.146 171 A HN 0.714 nan 8.150 nan 0.000 0.494 172 E N 0.318 120.559 120.200 0.069 0.000 2.376 172 E HA 0.364 4.716 4.350 0.003 0.000 0.266 172 E C 1.030 177.693 176.600 0.105 0.000 1.009 172 E CA 0.727 57.186 56.400 0.098 0.000 0.902 172 E CB 0.061 29.750 29.700 -0.019 0.000 0.972 172 E HN 1.585 nan 8.360 nan 0.000 0.439 173 G N 3.263 112.135 108.800 0.121 0.000 2.199 173 G HA2 -0.310 3.652 3.960 0.003 0.000 0.254 173 G HA3 -0.310 3.652 3.960 0.003 0.000 0.254 173 G C 0.658 175.569 174.900 0.018 0.000 0.982 173 G CA 0.687 45.813 45.100 0.042 0.000 0.632 173 G HN 0.856 nan 8.290 nan 0.000 0.529 174 T N -3.405 111.176 114.554 0.045 0.000 3.275 174 T HA 0.687 5.038 4.350 0.003 0.000 0.298 174 T C 1.952 176.680 174.700 0.048 0.000 0.988 174 T CA 1.294 63.417 62.100 0.038 0.000 0.936 174 T CB 0.573 69.473 68.868 0.054 0.000 1.159 174 T HN 1.348 nan 8.240 nan 0.000 0.519 175 A N 1.896 124.748 122.820 0.054 0.000 1.940 175 A HA 0.022 4.344 4.320 0.003 0.000 0.219 175 A C 2.182 179.786 177.584 0.033 0.000 1.176 175 A CA 1.566 53.640 52.037 0.062 0.000 0.631 175 A CB -0.603 18.440 19.000 0.071 0.000 0.814 175 A HN 0.438 nan 8.150 nan 0.000 0.446 176 M N -0.436 119.160 119.600 -0.007 0.000 2.098 176 M HA -0.013 4.469 4.480 0.003 0.000 0.262 176 M C 2.020 178.335 176.300 0.025 0.000 1.072 176 M CA 1.416 56.706 55.300 -0.017 0.000 1.133 176 M CB -0.824 31.736 32.600 -0.067 0.000 1.344 176 M HN 0.414 nan 8.290 nan 0.000 0.414 177 K N 0.393 120.809 120.400 0.026 0.000 2.052 177 K HA -0.241 4.081 4.320 0.003 0.000 0.215 177 K C 1.385 178.029 176.600 0.075 0.000 1.053 177 K CA 2.125 58.441 56.287 0.048 0.000 0.934 177 K CB -0.440 32.083 32.500 0.039 0.000 0.717 177 K HN 0.323 nan 8.250 nan 0.000 0.450 178 D N 0.404 120.851 120.400 0.078 0.000 2.149 178 D HA -0.088 4.554 4.640 0.003 0.000 0.201 178 D C 2.104 178.482 176.300 0.130 0.000 0.972 178 D CA 0.687 54.744 54.000 0.095 0.000 0.835 178 D CB -0.103 40.755 40.800 0.097 0.000 0.966 178 D HN 0.211 nan 8.370 nan 0.000 0.476 179 L N 0.508 121.818 121.223 0.146 0.000 2.109 179 L HA -0.056 4.286 4.340 0.003 0.000 0.207 179 L C 2.415 179.515 176.870 0.382 0.000 1.086 179 L CA 1.022 56.003 54.840 0.235 0.000 0.760 179 L CB -0.202 41.961 42.059 0.173 0.000 0.910 179 L HN -0.038 nan 8.230 nan 0.000 0.437 180 A N -0.675 122.303 122.820 0.263 0.000 1.898 180 A HA -0.100 4.222 4.320 0.003 0.000 0.214 180 A C 1.284 179.049 177.584 0.301 0.000 1.183 180 A CA 1.224 53.450 52.037 0.314 0.000 0.622 180 A CB -0.248 18.849 19.000 0.160 0.000 0.824 180 A HN 0.393 nan 8.150 nan 0.000 0.444 181 N N 0.273 119.079 118.700 0.176 0.000 2.844 181 N HA 0.285 5.027 4.740 0.003 0.000 0.268 181 N C -3.100 172.448 175.510 0.065 0.000 1.574 181 N CA -2.044 51.071 53.050 0.108 0.000 0.838 181 N CB 0.946 39.480 38.487 0.078 0.000 1.177 181 N HN 0.145 nan 8.380 nan 0.000 0.495 182 P HA 0.245 nan 4.420 nan 0.000 0.279 182 P C 0.085 177.351 177.300 -0.056 0.000 1.239 182 P CA -0.177 62.925 63.100 0.003 0.000 0.789 182 P CB 1.488 33.179 31.700 -0.015 0.000 0.933 183 D N 1.336 121.689 120.400 -0.078 0.000 2.133 183 D HA -0.163 4.478 4.640 0.003 0.000 0.192 183 D C 1.077 177.278 176.300 -0.165 0.000 1.001 183 D CA 1.878 55.805 54.000 -0.121 0.000 0.844 183 D CB 0.101 40.807 40.800 -0.157 0.000 0.944 183 D HN 0.501 nan 8.370 nan 0.000 0.447 184 R N -1.019 119.350 120.500 -0.218 0.000 2.692 184 R HA 0.488 4.829 4.340 0.003 0.000 0.269 184 R C -1.769 174.387 176.300 -0.240 0.000 1.030 184 R CA -0.740 55.217 56.100 -0.239 0.000 0.882 184 R CB 0.808 30.941 30.300 -0.279 0.000 1.250 184 R HN -0.127 nan 8.270 nan 0.000 0.465 185 V N 2.319 122.082 119.914 -0.252 0.000 2.459 185 V HA 0.507 4.628 4.120 0.003 0.000 0.295 185 V C -0.609 175.364 176.094 -0.203 0.000 1.029 185 V CA -0.907 61.211 62.300 -0.302 0.000 0.874 185 V CB 1.441 32.916 31.823 -0.581 0.000 0.985 185 V HN 0.663 nan 8.190 nan 0.000 0.438 186 L N 7.030 128.199 121.223 -0.090 0.000 2.356 186 L HA 0.764 5.106 4.340 0.003 0.000 0.277 186 L C -0.968 175.900 176.870 -0.003 0.000 0.996 186 L CA 0.115 54.947 54.840 -0.012 0.000 0.822 186 L CB 1.398 43.534 42.059 0.129 0.000 1.256 186 L HN 0.582 nan 8.230 nan 0.000 0.413 187 I N 4.555 125.113 120.570 -0.020 0.000 2.534 187 I HA 0.684 4.855 4.170 0.003 0.000 0.288 187 I C 0.098 176.195 176.117 -0.033 0.000 1.077 187 I CA -0.483 60.814 61.300 -0.005 0.000 1.051 187 I CB 2.188 40.193 38.000 0.008 0.000 1.234 187 I HN 0.758 nan 8.210 nan 0.000 0.425 188 G N 3.105 111.878 108.800 -0.045 0.000 2.482 188 G HA2 0.831 4.792 3.960 0.003 0.000 0.317 188 G HA3 0.831 4.792 3.960 0.003 0.000 0.317 188 G C -0.772 174.042 174.900 -0.142 0.000 1.241 188 G CA -0.750 44.290 45.100 -0.101 0.000 0.967 188 G HN 0.847 nan 8.290 nan 0.000 0.482 189 G N -0.454 108.235 108.800 -0.186 0.000 2.687 189 G HA2 0.548 4.510 3.960 0.003 0.000 0.291 189 G HA3 0.548 4.510 3.960 0.003 0.000 0.291 189 G C -0.959 173.788 174.900 -0.255 0.000 1.420 189 G CA -0.728 44.243 45.100 -0.216 0.000 0.796 189 G HN 0.702 nan 8.290 nan 0.000 0.485 190 E N -0.171 119.893 120.200 -0.227 0.000 2.442 190 E HA 0.184 4.535 4.350 0.003 0.000 0.262 190 E C -0.074 176.446 176.600 -0.133 0.000 1.004 190 E CA 0.093 56.380 56.400 -0.189 0.000 0.928 190 E CB 0.326 29.961 29.700 -0.109 0.000 0.937 190 E HN 0.169 nan 8.360 nan 0.000 0.446 191 S N 2.781 118.416 115.700 -0.108 0.000 3.869 191 S HA 0.169 4.640 4.470 0.003 0.000 0.241 191 S C -0.955 173.623 174.600 -0.037 0.000 1.363 191 S CA -0.109 58.050 58.200 -0.068 0.000 0.894 191 S CB -0.397 62.772 63.200 -0.052 0.000 1.519 191 S HN 0.494 nan 8.310 nan 0.000 0.470 192 S N 1.534 117.212 115.700 -0.036 0.000 2.552 192 S HA 0.493 4.965 4.470 0.003 0.000 0.272 192 S C -2.939 171.653 174.600 -0.015 0.000 1.150 192 S CA -1.247 56.944 58.200 -0.015 0.000 0.849 192 S CB 1.323 64.522 63.200 -0.002 0.000 1.113 192 S HN 0.068 nan 8.310 nan 0.000 0.458 193 P HA -0.121 nan 4.420 nan 0.000 0.215 193 P C 1.324 178.634 177.300 0.017 0.000 1.157 193 P CA 1.430 64.535 63.100 0.008 0.000 0.874 193 P CB 0.088 31.800 31.700 0.020 0.000 0.790 194 E N -0.936 119.290 120.200 0.044 0.000 2.110 194 E HA -0.123 4.229 4.350 0.003 0.000 0.193 194 E C 2.185 178.760 176.600 -0.043 0.000 0.988 194 E CA 1.252 57.706 56.400 0.089 0.000 0.804 194 E CB -0.732 29.066 29.700 0.164 0.000 0.745 194 E HN 0.202 nan 8.360 nan 0.000 0.458 195 G N 0.630 109.396 108.800 -0.056 0.000 2.394 195 G HA2 -0.200 3.762 3.960 0.003 0.000 0.215 195 G HA3 -0.200 3.762 3.960 0.003 0.000 0.215 195 G C 1.510 176.326 174.900 -0.139 0.000 1.165 195 G CA 0.303 45.333 45.100 -0.117 0.000 0.784 195 G HN 0.129 nan 8.290 nan 0.000 0.535 196 L N -0.144 121.021 121.223 -0.096 0.000 2.201 196 L HA -0.003 4.338 4.340 0.003 0.000 0.212 196 L C 2.867 179.680 176.870 -0.095 0.000 1.105 196 L CA 0.943 55.731 54.840 -0.086 0.000 0.775 196 L CB -0.361 41.665 42.059 -0.055 0.000 0.913 196 L HN 0.240 nan 8.230 nan 0.000 0.440 197 Q N 0.121 119.860 119.800 -0.101 0.000 2.045 197 Q HA -0.255 4.086 4.340 0.003 0.000 0.206 197 Q C 2.319 178.198 176.000 -0.202 0.000 0.991 197 Q CA 2.322 58.059 55.803 -0.109 0.000 0.851 197 Q CB -0.168 28.534 28.738 -0.059 0.000 0.911 197 Q HN 0.539 nan 8.270 nan 0.000 0.418 198 A N -0.778 121.824 122.820 -0.363 0.000 2.014 198 A HA -0.063 4.259 4.320 0.003 0.000 0.218 198 A C 2.171 179.616 177.584 -0.231 0.000 1.163 198 A CA 1.030 52.800 52.037 -0.445 0.000 0.652 198 A CB -0.412 18.186 19.000 -0.670 0.000 0.808 198 A HN 0.292 nan 8.150 nan 0.000 0.449 199 V N 0.039 119.850 119.914 -0.171 0.000 2.261 199 V HA -0.288 3.834 4.120 0.003 0.000 0.246 199 V C 3.089 179.145 176.094 -0.063 0.000 1.047 199 V CA 2.033 64.274 62.300 -0.099 0.000 1.015 199 V CB -1.248 30.520 31.823 -0.091 0.000 0.642 199 V HN 0.602 nan 8.190 nan 0.000 0.446 200 A N -0.385 122.395 122.820 -0.067 0.000 1.908 200 A HA -0.240 4.082 4.320 0.003 0.000 0.218 200 A C 2.140 179.708 177.584 -0.027 0.000 1.181 200 A CA 1.873 53.886 52.037 -0.039 0.000 0.627 200 A CB -0.486 18.493 19.000 -0.036 0.000 0.818 200 A HN 0.537 nan 8.150 nan 0.000 0.445 201 E N -0.706 119.465 120.200 -0.048 0.000 2.153 201 E HA -0.141 4.211 4.350 0.003 0.000 0.194 201 E C 1.865 178.452 176.600 -0.022 0.000 0.988 201 E CA 1.003 57.384 56.400 -0.032 0.000 0.811 201 E CB -0.410 29.262 29.700 -0.047 0.000 0.746 201 E HN 0.549 nan 8.360 nan 0.000 0.466 202 L N 0.040 121.250 121.223 -0.021 0.000 2.162 202 L HA -0.020 4.321 4.340 0.003 0.000 0.205 202 L C 2.160 179.093 176.870 0.105 0.000 1.086 202 L CA 0.843 55.701 54.840 0.029 0.000 0.778 202 L CB -0.327 41.765 42.059 0.054 0.000 0.928 202 L HN -0.141 nan 8.230 nan 0.000 0.446 203 V N 0.332 120.295 119.914 0.082 0.000 2.252 203 V HA -0.380 3.741 4.120 0.003 0.000 0.249 203 V C 2.786 178.914 176.094 0.058 0.000 1.056 203 V CA 2.308 64.657 62.300 0.081 0.000 1.022 203 V CB -0.698 31.137 31.823 0.020 0.000 0.641 203 V HN 0.540 nan 8.190 nan 0.000 0.445 204 R N -0.235 120.284 120.500 0.032 0.000 2.133 204 R HA -0.236 4.106 4.340 0.003 0.000 0.245 204 R C 2.213 178.542 176.300 0.047 0.000 1.137 204 R CA 2.511 58.633 56.100 0.036 0.000 0.947 204 R CB -0.460 29.862 30.300 0.037 0.000 0.865 204 R HN 0.538 nan 8.270 nan 0.000 0.437 205 I N -0.772 119.807 120.570 0.015 0.000 2.163 205 I HA -0.332 3.840 4.170 0.003 0.000 0.243 205 I C 1.944 178.019 176.117 -0.070 0.000 1.085 205 I CA 1.670 62.961 61.300 -0.015 0.000 1.347 205 I CB -0.519 37.414 38.000 -0.112 0.000 1.044 205 I HN 0.286 nan 8.210 nan 0.000 0.408 206 Y N 0.748 120.972 120.300 -0.127 0.000 2.263 206 Y HA -0.157 4.395 4.550 0.003 0.000 0.292 206 Y C 2.555 178.147 175.900 -0.513 0.000 1.130 206 Y CA 0.880 58.642 58.100 -0.565 0.000 1.179 206 Y CB -0.200 37.988 38.460 -0.453 0.000 0.998 206 Y HN 0.134 nan 8.280 nan 0.000 0.532 207 E N 0.285 120.443 120.200 -0.071 0.000 2.273 207 E HA -0.228 4.124 4.350 0.003 0.000 0.198 207 E C 1.564 178.181 176.600 0.028 0.000 1.002 207 E CA 0.792 57.168 56.400 -0.040 0.000 0.828 207 E CB -0.137 29.563 29.700 -0.000 0.000 0.747 207 E HN 0.521 nan 8.360 nan 0.000 0.491 208 N N -0.284 118.493 118.700 0.128 0.000 2.348 208 N HA -0.176 4.566 4.740 0.003 0.000 0.185 208 N C 1.260 177.012 175.510 0.403 0.000 1.019 208 N CA 1.524 54.747 53.050 0.288 0.000 0.880 208 N CB -0.011 38.726 38.487 0.418 0.000 0.965 208 N HN 0.511 nan 8.380 nan 0.000 0.437 209 W N -1.564 119.772 121.300 0.060 0.000 1.807 209 W HA 0.457 5.119 4.660 0.003 0.000 0.251 209 W C -1.048 175.506 176.519 0.059 0.000 0.848 209 W CA -0.305 57.070 57.345 0.049 0.000 1.157 209 W CB 0.151 29.635 29.460 0.039 0.000 0.992 209 W HN -0.376 nan 8.180 nan 0.000 0.506 210 V N 3.494 123.216 119.914 -0.320 0.000 2.448 210 V HA 0.432 4.554 4.120 0.003 0.000 0.295 210 V C -1.999 174.005 176.094 -0.149 0.000 1.025 210 V CA -2.204 59.922 62.300 -0.291 0.000 0.859 210 V CB 1.678 33.215 31.823 -0.476 0.000 0.988 210 V HN -0.270 nan 8.190 nan 0.000 0.431 211 P HA 0.043 nan 4.420 nan 0.000 0.260 211 P C 0.614 177.866 177.300 -0.081 0.000 1.172 211 P CA 0.015 63.076 63.100 -0.065 0.000 0.760 211 P CB 0.499 32.168 31.700 -0.052 0.000 0.773 212 R N 5.107 125.570 120.500 -0.062 0.000 2.139 212 R HA -0.193 4.149 4.340 0.003 0.000 0.243 212 R C 1.694 177.955 176.300 -0.066 0.000 1.145 212 R CA 2.018 58.081 56.100 -0.061 0.000 0.976 212 R CB -0.896 29.379 30.300 -0.042 0.000 0.866 212 R HN 0.552 nan 8.270 nan 0.000 0.449 213 N N -0.132 118.532 118.700 -0.061 0.000 2.309 213 N HA -0.185 4.556 4.740 0.003 0.000 0.182 213 N C 0.966 176.428 175.510 -0.080 0.000 1.018 213 N CA 1.110 54.123 53.050 -0.062 0.000 0.876 213 N CB -0.232 38.224 38.487 -0.052 0.000 0.972 213 N HN 0.264 nan 8.380 nan 0.000 0.434 214 R N 0.058 120.501 120.500 -0.095 0.000 2.317 214 R HA 0.359 4.701 4.340 0.003 0.000 0.208 214 R C 0.078 176.289 176.300 -0.148 0.000 0.914 214 R CA -0.061 55.967 56.100 -0.120 0.000 1.060 214 R CB 0.334 30.562 30.300 -0.121 0.000 1.015 214 R HN 0.203 nan 8.270 nan 0.000 0.498 215 I N 1.705 122.194 120.570 -0.135 0.000 2.306 215 I HA 0.227 4.399 4.170 0.003 0.000 0.288 215 I C -0.386 175.664 176.117 -0.112 0.000 1.036 215 I CA -0.403 60.810 61.300 -0.145 0.000 1.221 215 I CB 1.171 39.096 38.000 -0.125 0.000 1.385 215 I HN -0.109 nan 8.210 nan 0.000 0.472 216 I N 5.963 126.463 120.570 -0.117 0.000 2.336 216 I HA 0.302 4.474 4.170 0.003 0.000 0.292 216 I C 0.426 176.498 176.117 -0.076 0.000 0.991 216 I CA -0.241 61.003 61.300 -0.093 0.000 1.227 216 I CB 1.696 39.635 38.000 -0.101 0.000 1.366 216 I HN 0.533 nan 8.210 nan 0.000 0.466 217 T N 1.533 116.048 114.554 -0.064 0.000 2.823 217 T HA 0.812 5.163 4.350 0.003 0.000 0.279 217 T C -0.191 174.475 174.700 -0.057 0.000 0.998 217 T CA -0.620 61.446 62.100 -0.057 0.000 0.994 217 T CB 1.739 70.575 68.868 -0.055 0.000 0.960 217 T HN 0.695 nan 8.240 nan 0.000 0.448 218 T N -0.279 114.238 114.554 -0.061 0.000 2.778 218 T HA 0.602 4.954 4.350 0.003 0.000 0.293 218 T C -0.218 174.423 174.700 -0.097 0.000 1.144 218 T CA -1.068 60.994 62.100 -0.063 0.000 1.010 218 T CB 0.864 69.704 68.868 -0.045 0.000 1.325 218 T HN 0.853 nan 8.240 nan 0.000 0.515 219 N N -0.192 118.441 118.700 -0.112 0.000 2.354 219 N HA 0.181 4.923 4.740 0.003 0.000 0.246 219 N C 1.105 176.450 175.510 -0.276 0.000 1.285 219 N CA 0.213 53.136 53.050 -0.212 0.000 0.925 219 N CB -0.356 37.999 38.487 -0.221 0.000 1.174 219 N HN 0.658 nan 8.380 nan 0.000 0.478 220 T N -1.123 113.111 114.554 -0.534 0.000 2.833 220 T HA -0.114 4.238 4.350 0.003 0.000 0.269 220 T C 1.134 175.702 174.700 -0.220 0.000 1.054 220 T CA 1.366 63.156 62.100 -0.516 0.000 1.135 220 T CB -0.488 67.834 68.868 -0.910 0.000 0.869 220 T HN 0.665 nan 8.240 nan 0.000 0.466 221 W N 1.336 122.638 121.300 0.003 0.000 2.481 221 W HA 0.097 4.758 4.660 0.002 0.000 0.293 221 W C 2.876 179.396 176.519 0.002 0.000 1.201 221 W CA -0.086 57.261 57.345 0.003 0.000 1.328 221 W CB -0.557 28.905 29.460 0.002 0.000 1.112 221 W HN 0.054 nan 8.180 nan 0.000 0.546 222 S N 0.529 116.333 115.700 0.174 0.000 2.374 222 S HA -0.281 4.190 4.470 0.003 0.000 0.227 222 S C 1.923 176.562 174.600 0.065 0.000 1.037 222 S CA 1.896 60.150 58.200 0.090 0.000 1.024 222 S CB -0.709 62.512 63.200 0.035 0.000 0.861 222 S HN 0.291 nan 8.310 nan 0.000 0.456 223 S N 0.721 116.447 115.700 0.045 0.000 2.377 223 S HA -0.044 4.427 4.470 0.003 0.000 0.223 223 S C 1.794 176.437 174.600 0.071 0.000 1.030 223 S CA 0.927 59.155 58.200 0.047 0.000 0.970 223 S CB -0.266 62.942 63.200 0.014 0.000 0.830 223 S HN 0.519 nan 8.310 nan 0.000 0.473 224 E N 0.297 120.555 120.200 0.096 0.000 2.058 224 E HA -0.153 4.199 4.350 0.003 0.000 0.194 224 E C 2.043 178.690 176.600 0.079 0.000 0.997 224 E CA 1.440 57.901 56.400 0.102 0.000 0.801 224 E CB -0.265 29.541 29.700 0.178 0.000 0.746 224 E HN 0.403 nan 8.360 nan 0.000 0.450 225 L N 0.768 122.048 121.223 0.095 0.000 2.056 225 L HA -0.137 4.204 4.340 0.003 0.000 0.207 225 L C 2.157 179.050 176.870 0.038 0.000 1.078 225 L CA 1.673 56.547 54.840 0.057 0.000 0.749 225 L CB -0.505 41.594 42.059 0.068 0.000 0.901 225 L HN -0.067 nan 8.230 nan 0.000 0.433 226 S N -0.229 115.503 115.700 0.055 0.000 2.380 226 S HA -0.287 4.184 4.470 0.003 0.000 0.229 226 S C 1.958 176.620 174.600 0.104 0.000 1.043 226 S CA 1.778 60.014 58.200 0.059 0.000 1.038 226 S CB -0.408 62.833 63.200 0.069 0.000 0.872 226 S HN 0.432 nan 8.310 nan 0.000 0.456 227 K N 1.566 122.030 120.400 0.106 0.000 2.057 227 K HA 0.027 4.348 4.320 0.003 0.000 0.207 227 K C 1.798 178.421 176.600 0.038 0.000 1.049 227 K CA 1.360 57.688 56.287 0.068 0.000 0.931 227 K CB -0.591 31.848 32.500 -0.102 0.000 0.714 227 K HN 0.356 nan 8.250 nan 0.000 0.440 228 L N -0.318 120.907 121.223 0.003 0.000 2.072 228 L HA -0.095 4.247 4.340 0.003 0.000 0.205 228 L C 2.278 179.114 176.870 -0.056 0.000 1.079 228 L CA 0.705 55.528 54.840 -0.027 0.000 0.752 228 L CB -0.432 41.599 42.059 -0.046 0.000 0.906 228 L HN -0.043 nan 8.230 nan 0.000 0.436 229 V N 0.289 120.167 119.914 -0.059 0.000 2.407 229 V HA -0.278 3.844 4.120 0.003 0.000 0.248 229 V C 2.759 178.897 176.094 0.074 0.000 1.055 229 V CA 1.751 64.014 62.300 -0.061 0.000 1.049 229 V CB -0.836 30.983 31.823 -0.007 0.000 0.662 229 V HN 0.466 nan 8.190 nan 0.000 0.455 230 A N 0.208 123.062 122.820 0.057 0.000 1.877 230 A HA -0.261 4.061 4.320 0.003 0.000 0.216 230 A C 2.067 179.722 177.584 0.119 0.000 1.186 230 A CA 2.221 54.296 52.037 0.063 0.000 0.620 230 A CB -0.810 18.259 19.000 0.115 0.000 0.822 230 A HN 0.665 nan 8.150 nan 0.000 0.443 231 N N -0.182 118.602 118.700 0.140 0.000 2.244 231 N HA -0.041 4.700 4.740 0.003 0.000 0.183 231 N C 1.908 177.488 175.510 0.117 0.000 1.016 231 N CA 0.772 53.957 53.050 0.225 0.000 0.866 231 N CB -0.185 38.440 38.487 0.230 0.000 0.980 231 N HN 0.512 nan 8.380 nan 0.000 0.430 232 A N 0.708 123.543 122.820 0.024 0.000 1.902 232 A HA -0.113 4.208 4.320 0.003 0.000 0.217 232 A C 1.752 179.396 177.584 0.100 0.000 1.181 232 A CA 1.073 53.067 52.037 -0.072 0.000 0.623 232 A CB -0.757 17.926 19.000 -0.527 0.000 0.818 232 A HN 0.198 nan 8.150 nan 0.000 0.443 233 F N 0.080 120.031 119.950 0.003 0.000 2.171 233 F HA -0.111 4.417 4.527 0.002 0.000 0.300 233 F C 2.125 177.891 175.800 -0.055 0.000 1.090 233 F CA 1.359 59.408 58.000 0.082 0.000 1.293 233 F CB -0.347 38.681 39.000 0.045 0.000 1.013 233 F HN 0.103 nan 8.300 nan 0.000 0.486 234 L N -0.915 120.299 121.223 -0.014 0.000 2.027 234 L HA -0.201 4.141 4.340 0.003 0.000 0.206 234 L C 2.727 179.361 176.870 -0.392 0.000 1.074 234 L CA 1.209 55.865 54.840 -0.308 0.000 0.745 234 L CB -1.101 40.672 42.059 -0.476 0.000 0.898 234 L HN 0.108 nan 8.230 nan 0.000 0.433 235 A N -0.493 121.946 122.820 -0.635 0.000 1.908 235 A HA -0.300 4.022 4.320 0.003 0.000 0.218 235 A C 2.258 179.650 177.584 -0.319 0.000 1.181 235 A CA 1.969 53.466 52.037 -0.900 0.000 0.627 235 A CB -0.627 17.823 19.000 -0.917 0.000 0.818 235 A HN 0.514 nan 8.150 nan 0.000 0.445 236 Q N -0.482 119.253 119.800 -0.108 0.000 2.084 236 Q HA -0.206 4.135 4.340 0.003 0.000 0.202 236 Q C 2.255 178.243 176.000 -0.020 0.000 0.978 236 Q CA 1.617 57.404 55.803 -0.028 0.000 0.844 236 Q CB -0.112 28.613 28.738 -0.022 0.000 0.898 236 Q HN 0.685 nan 8.270 nan 0.000 0.426 237 R N -0.101 120.401 120.500 0.002 0.000 2.091 237 R HA -0.147 4.195 4.340 0.003 0.000 0.238 237 R C 2.275 178.622 176.300 0.079 0.000 1.136 237 R CA 1.484 57.619 56.100 0.058 0.000 0.959 237 R CB -0.237 30.133 30.300 0.116 0.000 0.856 237 R HN 0.333 nan 8.270 nan 0.000 0.437 238 I N 0.376 120.994 120.570 0.080 0.000 2.202 238 I HA -0.190 3.981 4.170 0.003 0.000 0.242 238 I C 2.165 178.376 176.117 0.157 0.000 1.091 238 I CA 1.421 62.794 61.300 0.122 0.000 1.368 238 I CB -1.167 36.924 38.000 0.152 0.000 1.058 238 I HN 0.056 nan 8.210 nan 0.000 0.410 239 S N 0.748 116.562 115.700 0.189 0.000 2.382 239 S HA -0.130 4.342 4.470 0.003 0.000 0.228 239 S C 2.256 176.908 174.600 0.087 0.000 1.027 239 S CA 1.460 59.764 58.200 0.174 0.000 0.991 239 S CB -0.116 63.201 63.200 0.195 0.000 0.823 239 S HN 0.405 nan 8.310 nan 0.000 0.469 240 S N 1.361 117.087 115.700 0.043 0.000 2.353 240 S HA -0.084 4.388 4.470 0.003 0.000 0.222 240 S C 1.819 176.447 174.600 0.047 0.000 1.035 240 S CA 1.176 59.386 58.200 0.017 0.000 1.025 240 S CB -0.361 62.835 63.200 -0.006 0.000 0.902 240 S HN 0.391 nan 8.310 nan 0.000 0.440 241 I N 2.399 123.007 120.570 0.064 0.000 2.439 241 I HA -0.084 4.087 4.170 0.003 0.000 0.251 241 I C 1.670 177.833 176.117 0.078 0.000 1.139 241 I CA 1.027 62.367 61.300 0.068 0.000 1.438 241 I CB -0.359 37.682 38.000 0.068 0.000 1.085 241 I HN 0.113 nan 8.210 nan 0.000 0.427 242 N N 0.078 118.834 118.700 0.093 0.000 2.142 242 N HA -0.162 4.580 4.740 0.003 0.000 0.186 242 N C 2.155 177.768 175.510 0.172 0.000 1.023 242 N CA 1.567 54.682 53.050 0.108 0.000 0.852 242 N CB -0.535 38.017 38.487 0.109 0.000 0.998 242 N HN 0.525 nan 8.380 nan 0.000 0.424 243 S N 0.925 116.730 115.700 0.174 0.000 2.370 243 S HA -0.100 4.371 4.470 0.003 0.000 0.226 243 S C 1.863 176.557 174.600 0.157 0.000 1.033 243 S CA 0.834 59.147 58.200 0.189 0.000 1.011 243 S CB -0.361 62.871 63.200 0.052 0.000 0.852 243 S HN 0.120 nan 8.310 nan 0.000 0.457 244 I N 3.276 123.907 120.570 0.102 0.000 2.546 244 I HA -0.071 4.100 4.170 0.003 0.000 0.255 244 I C 2.930 179.103 176.117 0.093 0.000 1.163 244 I CA 1.291 62.640 61.300 0.083 0.000 1.457 244 I CB -2.021 36.014 38.000 0.058 0.000 1.092 244 I HN 0.628 nan 8.210 nan 0.000 0.434 245 S N 1.955 117.714 115.700 0.099 0.000 2.374 245 S HA -0.202 4.269 4.470 0.003 0.000 0.227 245 S C 2.247 176.906 174.600 0.100 0.000 1.037 245 S CA 1.302 59.553 58.200 0.084 0.000 1.024 245 S CB -0.666 62.572 63.200 0.063 0.000 0.861 245 S HN 0.407 nan 8.310 nan 0.000 0.456 246 A N 1.328 124.238 122.820 0.150 0.000 1.969 246 A HA 0.130 4.452 4.320 0.003 0.000 0.218 246 A C 2.414 180.089 177.584 0.150 0.000 1.169 246 A CA 1.422 53.564 52.037 0.175 0.000 0.635 246 A CB -1.019 18.202 19.000 0.367 0.000 0.810 246 A HN 0.489 nan 8.150 nan 0.000 0.445 247 V N -0.745 119.247 119.914 0.131 0.000 2.343 247 V HA -0.341 3.781 4.120 0.003 0.000 0.247 247 V C 2.630 178.767 176.094 0.072 0.000 1.051 247 V CA 2.037 64.390 62.300 0.089 0.000 1.036 247 V CB -1.319 30.543 31.823 0.066 0.000 0.654 247 V HN 0.704 nan 8.190 nan 0.000 0.451 248 C N 0.008 119.351 119.300 0.070 0.000 2.413 248 C HA -0.172 4.289 4.460 0.003 0.000 0.276 248 C C 2.735 177.761 174.990 0.060 0.000 1.236 248 C CA 1.226 60.279 59.018 0.058 0.000 1.735 248 C CB -1.025 26.748 27.740 0.056 0.000 2.031 248 C HN 0.631 nan 8.230 nan 0.000 0.474 249 E N 0.789 121.032 120.200 0.072 0.000 2.118 249 E HA -0.171 4.180 4.350 0.003 0.000 0.195 249 E C 2.242 178.884 176.600 0.070 0.000 0.992 249 E CA 1.437 57.881 56.400 0.074 0.000 0.804 249 E CB -0.231 29.520 29.700 0.084 0.000 0.741 249 E HN 0.697 nan 8.360 nan 0.000 0.458 250 A N 0.731 123.594 122.820 0.072 0.000 2.067 250 A HA -0.089 4.233 4.320 0.003 0.000 0.217 250 A C 2.271 179.886 177.584 0.051 0.000 1.156 250 A CA 1.590 53.666 52.037 0.064 0.000 0.683 250 A CB -0.355 18.689 19.000 0.072 0.000 0.808 250 A HN 0.361 nan 8.150 nan 0.000 0.455 251 T N -5.775 108.807 114.554 0.047 0.000 3.023 251 T HA 0.425 4.776 4.350 0.003 0.000 0.249 251 T C 1.464 176.183 174.700 0.032 0.000 1.050 251 T CA 1.162 63.284 62.100 0.036 0.000 1.088 251 T CB 0.339 69.227 68.868 0.033 0.000 0.946 251 T HN 1.561 nan 8.240 nan 0.000 0.480 252 G N 1.500 110.321 108.800 0.034 0.000 2.176 252 G HA2 0.025 3.987 3.960 0.003 0.000 0.232 252 G HA3 0.025 3.987 3.960 0.003 0.000 0.232 252 G C 0.352 175.267 174.900 0.025 0.000 0.986 252 G CA -0.049 45.068 45.100 0.028 0.000 0.643 252 G HN 1.093 nan 8.290 nan 0.000 0.522 253 A N -0.211 122.626 122.820 0.029 0.000 2.386 253 A HA 0.620 4.942 4.320 0.003 0.000 0.246 253 A C 0.361 177.963 177.584 0.031 0.000 1.089 253 A CA 0.245 52.299 52.037 0.028 0.000 0.790 253 A CB 0.372 19.390 19.000 0.030 0.000 1.042 253 A HN 0.311 nan 8.150 nan 0.000 0.497 254 E N 0.464 120.683 120.200 0.030 0.000 2.199 254 E HA 0.245 4.597 4.350 0.003 0.000 0.265 254 E C 0.300 176.922 176.600 0.037 0.000 0.882 254 E CA -0.686 55.733 56.400 0.031 0.000 0.759 254 E CB 1.769 31.483 29.700 0.023 0.000 1.148 254 E HN 0.533 nan 8.360 nan 0.000 0.412 255 I N 2.397 122.991 120.570 0.040 0.000 2.361 255 I HA -0.250 3.921 4.170 0.003 0.000 0.251 255 I C 1.766 177.911 176.117 0.047 0.000 1.133 255 I CA 1.656 62.983 61.300 0.045 0.000 1.413 255 I CB -0.028 37.999 38.000 0.045 0.000 1.073 255 I HN 0.339 nan 8.210 nan 0.000 0.424 256 S N 0.074 115.796 115.700 0.036 0.000 2.382 256 S HA -0.190 4.281 4.470 0.003 0.000 0.228 256 S C 1.870 176.507 174.600 0.062 0.000 1.027 256 S CA 1.419 59.639 58.200 0.033 0.000 0.991 256 S CB -0.350 62.853 63.200 0.005 0.000 0.823 256 S HN 0.562 nan 8.310 nan 0.000 0.469 257 E N 0.469 120.705 120.200 0.060 0.000 2.072 257 E HA -0.069 4.282 4.350 0.003 0.000 0.190 257 E C 2.132 178.786 176.600 0.090 0.000 0.982 257 E CA 0.986 57.437 56.400 0.084 0.000 0.803 257 E CB -0.137 29.594 29.700 0.051 0.000 0.755 257 E HN 0.274 nan 8.360 nan 0.000 0.453 258 V N 1.491 121.445 119.914 0.067 0.000 2.295 258 V HA -0.259 3.863 4.120 0.003 0.000 0.246 258 V C 2.363 178.505 176.094 0.080 0.000 1.049 258 V CA 1.878 64.213 62.300 0.059 0.000 1.024 258 V CB -0.740 31.112 31.823 0.048 0.000 0.648 258 V HN 0.294 nan 8.190 nan 0.000 0.447 259 A N -1.116 121.763 122.820 0.098 0.000 1.902 259 A HA -0.281 4.040 4.320 0.003 0.000 0.217 259 A C 2.194 179.885 177.584 0.180 0.000 1.181 259 A CA 2.043 54.151 52.037 0.117 0.000 0.623 259 A CB -0.950 18.110 19.000 0.100 0.000 0.818 259 A HN 0.732 nan 8.150 nan 0.000 0.443 260 H N -0.411 118.698 119.070 0.066 0.000 2.267 260 H HA -0.155 4.403 4.556 0.003 0.000 0.297 260 H C 2.402 177.764 175.328 0.057 0.000 1.080 260 H CA 1.446 57.543 56.048 0.082 0.000 1.278 260 H CB -0.031 29.739 29.762 0.014 0.000 1.365 260 H HN 0.458 nan 8.280 nan 0.000 0.489 261 A N 0.364 123.146 122.820 -0.064 0.000 1.883 261 A HA -0.141 4.181 4.320 0.003 0.000 0.217 261 A C 2.726 180.302 177.584 -0.013 0.000 1.186 261 A CA 1.776 53.720 52.037 -0.155 0.000 0.624 261 A CB -0.897 18.046 19.000 -0.094 0.000 0.822 261 A HN 0.330 nan 8.150 nan 0.000 0.444 262 V N -0.166 119.778 119.914 0.049 0.000 2.358 262 V HA -0.149 3.973 4.120 0.003 0.000 0.246 262 V C 2.778 178.938 176.094 0.111 0.000 1.047 262 V CA 1.867 64.210 62.300 0.072 0.000 1.035 262 V CB -1.376 30.487 31.823 0.067 0.000 0.658 262 V HN 0.622 nan 8.190 nan 0.000 0.452 263 G N -1.857 107.037 108.800 0.157 0.000 2.470 263 G HA2 -0.259 3.702 3.960 0.003 0.000 0.220 263 G HA3 -0.259 3.702 3.960 0.003 0.000 0.220 263 G C 1.361 176.357 174.900 0.160 0.000 1.121 263 G CA 0.467 45.666 45.100 0.164 0.000 0.766 263 G HN 0.527 nan 8.290 nan 0.000 0.553 264 Y N 0.615 120.909 120.300 -0.010 0.000 2.561 264 Y HA 0.095 4.646 4.550 0.002 0.000 0.291 264 Y C 1.134 177.026 175.900 -0.013 0.000 1.141 264 Y CA -0.423 57.662 58.100 -0.025 0.000 1.303 264 Y CB 0.193 38.604 38.460 -0.081 0.000 1.015 264 Y HN 0.082 nan 8.280 nan 0.000 0.547 265 D N 0.277 120.754 120.400 0.127 0.000 2.382 265 D HA -0.057 4.584 4.640 0.003 0.000 0.259 265 D C 1.326 177.649 176.300 0.038 0.000 1.224 265 D CA 0.582 54.623 54.000 0.068 0.000 0.894 265 D CB 1.074 41.909 40.800 0.058 0.000 1.127 265 D HN 0.364 nan 8.370 nan 0.000 0.487 266 T N 1.756 116.321 114.554 0.018 0.000 3.007 266 T HA -0.089 4.263 4.350 0.003 0.000 0.270 266 T C 1.614 176.318 174.700 0.007 0.000 1.107 266 T CA 0.647 62.745 62.100 -0.002 0.000 1.118 266 T CB 0.035 68.895 68.868 -0.014 0.000 0.889 266 T HN 0.375 nan 8.240 nan 0.000 0.506 267 R N 0.205 120.715 120.500 0.017 0.000 2.193 267 R HA 0.320 4.662 4.340 0.003 0.000 0.213 267 R C 2.113 178.433 176.300 0.034 0.000 1.055 267 R CA 0.935 57.048 56.100 0.021 0.000 0.995 267 R CB -0.283 30.032 30.300 0.024 0.000 0.893 267 R HN 0.445 nan 8.270 nan 0.000 0.459 268 I N -0.368 120.226 120.570 0.040 0.000 2.556 268 I HA 0.139 4.311 4.170 0.003 0.000 0.251 268 I C 0.968 177.116 176.117 0.053 0.000 1.105 268 I CA 0.536 61.869 61.300 0.054 0.000 1.436 268 I CB -0.213 37.823 38.000 0.061 0.000 1.139 268 I HN 0.272 nan 8.210 nan 0.000 0.438 269 G N 1.091 109.916 108.800 0.041 0.000 2.733 269 G HA2 -0.213 3.749 3.960 0.003 0.000 0.686 269 G HA3 -0.213 3.749 3.960 0.003 0.000 0.686 269 G C 0.350 175.287 174.900 0.060 0.000 1.373 269 G CA -0.070 45.051 45.100 0.034 0.000 0.838 269 G HN 0.382 nan 8.290 nan 0.000 0.588 270 S N -0.589 115.143 115.700 0.055 0.000 2.540 270 S HA 0.292 4.764 4.470 0.003 0.000 0.218 270 S C 0.690 175.357 174.600 0.111 0.000 0.977 270 S CA 0.264 58.516 58.200 0.087 0.000 0.918 270 S CB 0.400 63.640 63.200 0.067 0.000 0.806 270 S HN 0.696 nan 8.310 nan 0.000 0.496 271 K N 1.357 121.834 120.400 0.129 0.000 2.185 271 K HA 0.342 4.664 4.320 0.003 0.000 0.271 271 K C -0.441 176.354 176.600 0.324 0.000 1.013 271 K CA -0.678 55.737 56.287 0.213 0.000 0.943 271 K CB -0.113 32.523 32.500 0.227 0.000 0.998 271 K HN 0.186 nan 8.250 nan 0.000 0.468 272 F N 0.382 120.354 119.950 0.035 0.000 3.080 272 F HA -0.215 4.313 4.527 0.002 0.000 0.292 272 F C 0.280 176.094 175.800 0.024 0.000 0.891 272 F CA 0.318 58.332 58.000 0.023 0.000 1.086 272 F CB -1.458 37.543 39.000 0.003 0.000 1.095 272 F HN 0.478 nan 8.300 nan 0.000 0.633 273 L N -0.307 120.985 121.223 0.114 0.000 3.289 273 L HA 0.223 4.565 4.340 0.003 0.000 0.291 273 L C 0.672 177.569 176.870 0.045 0.000 1.279 273 L CA -0.172 54.721 54.840 0.088 0.000 1.025 273 L CB 0.523 42.645 42.059 0.105 0.000 1.413 273 L HN 0.064 nan 8.230 nan 0.000 0.593 274 Q N 2.142 121.939 119.800 -0.005 0.000 2.314 274 Q HA 0.507 4.848 4.340 0.003 0.000 0.257 274 Q C -0.011 175.979 176.000 -0.017 0.000 0.975 274 Q CA -0.021 55.768 55.803 -0.024 0.000 0.933 274 Q CB 1.422 30.120 28.738 -0.068 0.000 1.195 274 Q HN 0.329 nan 8.270 nan 0.000 0.426 275 A N 3.577 126.398 122.820 0.001 0.000 2.332 275 A HA 0.727 5.049 4.320 0.003 0.000 0.258 275 A C -0.372 177.194 177.584 -0.030 0.000 1.087 275 A CA 0.351 52.389 52.037 0.002 0.000 0.802 275 A CB 0.385 19.394 19.000 0.015 0.000 1.042 275 A HN 1.085 nan 8.150 nan 0.000 0.489 276 S N -0.850 114.819 115.700 -0.052 0.000 2.643 276 S HA 0.265 4.736 4.470 0.003 0.000 0.266 276 S C 0.246 174.743 174.600 -0.171 0.000 1.130 276 S CA 0.175 58.313 58.200 -0.104 0.000 0.817 276 S CB 0.660 63.818 63.200 -0.070 0.000 1.107 276 S HN 1.667 nan 8.310 nan 0.000 0.471 277 V N 0.715 120.461 119.914 -0.280 0.000 2.867 277 V HA 0.412 4.533 4.120 0.003 0.000 0.260 277 V C 1.036 176.997 176.094 -0.220 0.000 1.099 277 V CA 2.367 64.440 62.300 -0.378 0.000 1.122 277 V CB -0.378 31.096 31.823 -0.582 0.000 0.708 277 V HN 1.885 nan 8.190 nan 0.000 0.490 278 G N -1.035 107.677 108.800 -0.148 0.000 2.337 278 G HA2 0.205 4.166 3.960 0.003 0.000 0.310 278 G HA3 0.205 4.166 3.960 0.003 0.000 0.310 278 G C -0.766 174.092 174.900 -0.070 0.000 1.534 278 G CA -0.456 44.549 45.100 -0.159 0.000 0.982 278 G HN 0.617 nan 8.290 nan 0.000 0.672 279 F N 0.375 120.350 119.950 0.042 0.000 2.403 279 F HA 0.858 5.386 4.527 0.003 0.000 0.320 279 F C 0.796 176.693 175.800 0.163 0.000 1.176 279 F CA -0.144 57.929 58.000 0.122 0.000 1.206 279 F CB 0.901 39.973 39.000 0.121 0.000 1.235 279 F HN 0.972 nan 8.300 nan 0.000 0.565 280 G N -1.152 107.974 108.800 0.543 0.000 2.947 280 G HA2 0.659 4.620 3.960 0.003 0.000 0.293 280 G HA3 0.659 4.620 3.960 0.003 0.000 0.293 280 G C -0.486 174.383 174.900 -0.052 0.000 1.243 280 G CA -0.467 44.801 45.100 0.281 0.000 0.802 280 G HN 1.742 nan 8.290 nan 0.000 0.560 281 G N -1.508 106.839 108.800 -0.755 0.000 2.756 281 G HA2 0.255 4.217 3.960 0.003 0.000 0.678 281 G HA3 0.255 4.217 3.960 0.003 0.000 0.678 281 G C 0.892 175.464 174.900 -0.547 0.000 1.349 281 G CA 0.616 44.928 45.100 -1.315 0.000 0.847 281 G HN 2.016 nan 8.290 nan 0.000 0.548 282 S N -1.773 113.636 115.700 -0.486 0.000 2.593 282 S HA 0.135 4.607 4.470 0.003 0.000 0.217 282 S C 2.042 176.514 174.600 -0.212 0.000 0.966 282 S CA 1.835 59.876 58.200 -0.266 0.000 0.914 282 S CB -0.516 62.555 63.200 -0.216 0.000 0.776 282 S HN 2.011 nan 8.310 nan 0.000 0.523 283 C N -1.618 117.503 119.300 -0.299 0.000 2.628 283 C HA 0.527 4.989 4.460 0.003 0.000 0.393 283 C C 1.917 176.832 174.990 -0.125 0.000 1.328 283 C CA -0.368 58.498 59.018 -0.254 0.000 2.079 283 C CB -1.407 26.127 27.740 -0.344 0.000 2.663 283 C HN 0.307 nan 8.230 nan 0.000 0.557 284 F N 2.205 122.139 119.950 -0.027 0.000 2.022 284 F HA -0.031 4.497 4.527 0.003 0.000 0.293 284 F C 2.958 178.788 175.800 0.050 0.000 1.142 284 F CA 2.149 60.121 58.000 -0.047 0.000 1.177 284 F CB -1.345 37.544 39.000 -0.185 0.000 0.982 284 F HN 0.272 nan 8.300 nan 0.000 0.473 285 Q N 0.645 120.691 119.800 0.411 0.000 2.061 285 Q HA -0.275 4.066 4.340 0.003 0.000 0.204 285 Q C 2.358 178.453 176.000 0.159 0.000 0.984 285 Q CA 2.183 58.174 55.803 0.313 0.000 0.846 285 Q CB -0.239 28.649 28.738 0.250 0.000 0.902 285 Q HN 0.368 nan 8.270 nan 0.000 0.421 286 K N -0.181 120.275 120.400 0.094 0.000 2.044 286 K HA -0.227 4.095 4.320 0.003 0.000 0.210 286 K C 1.401 178.026 176.600 0.042 0.000 1.049 286 K CA 2.043 58.354 56.287 0.041 0.000 0.927 286 K CB -0.049 32.449 32.500 -0.002 0.000 0.713 286 K HN 0.267 nan 8.250 nan 0.000 0.443 287 D N -0.094 120.334 120.400 0.047 0.000 2.149 287 D HA -0.092 4.550 4.640 0.003 0.000 0.201 287 D C 1.952 178.267 176.300 0.026 0.000 0.972 287 D CA 0.748 54.764 54.000 0.028 0.000 0.835 287 D CB -0.047 40.767 40.800 0.023 0.000 0.966 287 D HN 0.033 nan 8.370 nan 0.000 0.476 288 V N 1.021 120.976 119.914 0.068 0.000 2.261 288 V HA -0.217 3.905 4.120 0.003 0.000 0.246 288 V C 2.619 178.767 176.094 0.090 0.000 1.047 288 V CA 1.222 63.565 62.300 0.071 0.000 1.015 288 V CB -0.523 31.393 31.823 0.154 0.000 0.642 288 V HN 0.208 nan 8.190 nan 0.000 0.446 289 L N -0.003 121.283 121.223 0.105 0.000 2.083 289 L HA -0.182 4.159 4.340 0.003 0.000 0.209 289 L C 2.736 179.670 176.870 0.107 0.000 1.083 289 L CA 1.805 56.708 54.840 0.105 0.000 0.752 289 L CB -0.699 41.409 42.059 0.082 0.000 0.899 289 L HN 0.413 nan 8.230 nan 0.000 0.433 290 S N 0.325 116.069 115.700 0.074 0.000 2.370 290 S HA -0.214 4.258 4.470 0.003 0.000 0.226 290 S C 1.940 176.598 174.600 0.096 0.000 1.033 290 S CA 1.540 59.792 58.200 0.086 0.000 1.011 290 S CB -0.227 62.998 63.200 0.042 0.000 0.852 290 S HN 0.320 nan 8.310 nan 0.000 0.457 291 L N 1.659 122.899 121.223 0.029 0.000 2.056 291 L HA 0.041 4.383 4.340 0.003 0.000 0.207 291 L C 2.270 179.162 176.870 0.037 0.000 1.078 291 L CA 1.636 56.459 54.840 -0.028 0.000 0.749 291 L CB -0.854 41.089 42.059 -0.193 0.000 0.901 291 L HN 0.222 nan 8.230 nan 0.000 0.433 292 V N -0.741 119.234 119.914 0.103 0.000 2.255 292 V HA -0.348 3.774 4.120 0.003 0.000 0.247 292 V C 2.329 178.501 176.094 0.131 0.000 1.051 292 V CA 2.222 64.612 62.300 0.151 0.000 1.018 292 V CB -1.086 30.839 31.823 0.171 0.000 0.641 292 V HN 0.627 nan 8.190 nan 0.000 0.445 293 Y N 0.555 120.877 120.300 0.037 0.000 2.081 293 Y HA -0.301 4.250 4.550 0.003 0.000 0.280 293 Y C 2.301 178.209 175.900 0.013 0.000 1.163 293 Y CA 1.992 60.105 58.100 0.022 0.000 1.135 293 Y CB -0.525 37.941 38.460 0.010 0.000 0.970 293 Y HN 0.197 nan 8.280 nan 0.000 0.498 294 L N 0.029 121.223 121.223 -0.048 0.000 1.997 294 L HA -0.325 4.017 4.340 0.003 0.000 0.216 294 L C 2.431 179.210 176.870 -0.152 0.000 1.074 294 L CA 2.385 57.147 54.840 -0.130 0.000 0.763 294 L CB -1.369 40.673 42.059 -0.029 0.000 0.890 294 L HN 0.485 nan 8.230 nan 0.000 0.434 295 C N -0.493 118.770 119.300 -0.062 0.000 2.440 295 C HA -0.117 4.345 4.460 0.003 0.000 0.278 295 C C 2.515 177.467 174.990 -0.063 0.000 1.295 295 C CA 0.800 59.803 59.018 -0.024 0.000 1.738 295 C CB -1.025 26.758 27.740 0.071 0.000 1.987 295 C HN 0.609 nan 8.230 nan 0.000 0.492 296 E N 1.322 121.464 120.200 -0.096 0.000 2.038 296 E HA -0.221 4.131 4.350 0.003 0.000 0.195 296 E C 2.287 178.777 176.600 -0.185 0.000 1.000 296 E CA 1.873 58.203 56.400 -0.117 0.000 0.803 296 E CB -0.300 29.338 29.700 -0.103 0.000 0.750 296 E HN 0.770 nan 8.360 nan 0.000 0.448 297 S N 0.776 116.268 115.700 -0.346 0.000 2.419 297 S HA -0.130 4.342 4.470 0.003 0.000 0.235 297 S C 1.823 176.318 174.600 -0.176 0.000 1.019 297 S CA 0.864 58.873 58.200 -0.319 0.000 0.982 297 S CB -0.282 62.635 63.200 -0.472 0.000 0.789 297 S HN 0.196 nan 8.310 nan 0.000 0.490 298 L N 1.080 122.219 121.223 -0.141 0.000 2.592 298 L HA 0.265 4.606 4.340 0.003 0.000 0.227 298 L C 0.812 177.645 176.870 -0.062 0.000 1.127 298 L CA 0.167 54.953 54.840 -0.091 0.000 0.884 298 L CB -0.886 41.128 42.059 -0.074 0.000 1.065 298 L HN 0.387 nan 8.230 nan 0.000 0.457 299 N N 1.173 119.836 118.700 -0.062 0.000 2.738 299 N HA -0.230 4.511 4.740 0.003 0.000 0.249 299 N C -0.622 174.874 175.510 -0.023 0.000 1.047 299 N CA 0.515 53.542 53.050 -0.038 0.000 0.707 299 N CB -1.206 37.262 38.487 -0.032 0.000 0.937 299 N HN 0.332 nan 8.380 nan 0.000 0.545 300 L N 0.414 121.627 121.223 -0.017 0.000 2.709 300 L HA 0.347 4.689 4.340 0.003 0.000 0.236 300 L C -1.231 175.651 176.870 0.020 0.000 1.266 300 L CA -1.462 53.380 54.840 0.004 0.000 0.987 300 L CB 0.963 43.032 42.059 0.016 0.000 1.306 300 L HN 0.100 nan 8.230 nan 0.000 0.467 301 P HA -0.149 nan 4.420 nan 0.000 0.219 301 P C 0.997 178.318 177.300 0.036 0.000 1.150 301 P CA 1.056 64.169 63.100 0.023 0.000 0.814 301 P CB 0.475 32.181 31.700 0.011 0.000 0.787 302 Q N 0.155 119.969 119.800 0.024 0.000 2.077 302 Q HA -0.124 4.217 4.340 0.003 0.000 0.206 302 Q C 2.289 178.317 176.000 0.048 0.000 0.989 302 Q CA 1.752 57.567 55.803 0.021 0.000 0.853 302 Q CB -1.613 27.122 28.738 -0.005 0.000 0.907 302 Q HN 0.133 nan 8.270 nan 0.000 0.418 303 V N 0.523 120.478 119.914 0.068 0.000 2.453 303 V HA -0.184 3.938 4.120 0.003 0.000 0.247 303 V C 2.175 178.430 176.094 0.267 0.000 1.048 303 V CA 1.458 63.848 62.300 0.151 0.000 1.049 303 V CB -1.234 30.693 31.823 0.174 0.000 0.672 303 V HN 0.426 nan 8.190 nan 0.000 0.457 304 A N 0.405 123.338 122.820 0.188 0.000 1.908 304 A HA -0.265 4.057 4.320 0.003 0.000 0.218 304 A C 1.985 179.673 177.584 0.172 0.000 1.181 304 A CA 2.163 54.314 52.037 0.190 0.000 0.627 304 A CB -0.657 18.408 19.000 0.107 0.000 0.818 304 A HN 0.529 nan 8.150 nan 0.000 0.445 305 D N -1.684 118.784 120.400 0.113 0.000 2.117 305 D HA -0.162 4.480 4.640 0.003 0.000 0.197 305 D C 1.689 178.015 176.300 0.044 0.000 0.987 305 D CA 1.569 55.609 54.000 0.067 0.000 0.829 305 D CB -0.575 40.249 40.800 0.040 0.000 0.961 305 D HN 0.601 nan 8.370 nan 0.000 0.460 306 Y N -0.081 120.154 120.300 -0.109 0.000 2.081 306 Y HA -0.263 4.288 4.550 0.002 0.000 0.280 306 Y C 2.073 177.763 175.900 -0.351 0.000 1.163 306 Y CA 1.793 59.720 58.100 -0.289 0.000 1.135 306 Y CB -0.535 37.675 38.460 -0.417 0.000 0.970 306 Y HN 0.008 nan 8.280 nan 0.000 0.498 307 W N -0.146 121.206 121.300 0.087 0.000 2.436 307 W HA -0.098 4.563 4.660 0.002 0.000 0.284 307 W C 2.586 179.094 176.519 -0.018 0.000 1.225 307 W CA 1.006 58.355 57.345 0.006 0.000 1.271 307 W CB -0.563 28.948 29.460 0.086 0.000 1.114 307 W HN 0.094 nan 8.180 nan 0.000 0.559 308 Q N 0.790 120.699 119.800 0.183 0.000 2.135 308 Q HA -0.101 4.241 4.340 0.003 0.000 0.204 308 Q C 2.334 178.355 176.000 0.035 0.000 0.981 308 Q CA 2.287 58.156 55.803 0.110 0.000 0.856 308 Q CB -0.990 27.799 28.738 0.085 0.000 0.902 308 Q HN 0.209 nan 8.270 nan 0.000 0.425 309 G N -0.205 108.561 108.800 -0.057 0.000 2.547 309 G HA2 -0.319 3.643 3.960 0.003 0.000 0.221 309 G HA3 -0.319 3.643 3.960 0.003 0.000 0.221 309 G C 1.433 176.289 174.900 -0.074 0.000 1.140 309 G CA 1.440 46.464 45.100 -0.127 0.000 0.760 309 G HN 0.343 nan 8.290 nan 0.000 0.583 310 V N 1.312 121.209 119.914 -0.028 0.000 2.287 310 V HA -0.174 3.948 4.120 0.003 0.000 0.248 310 V C 2.785 178.990 176.094 0.185 0.000 1.053 310 V CA 1.443 63.799 62.300 0.093 0.000 1.027 310 V CB -0.372 31.555 31.823 0.174 0.000 0.646 310 V HN 0.298 nan 8.190 nan 0.000 0.447 311 I N 0.528 121.199 120.570 0.169 0.000 2.286 311 I HA -0.122 4.050 4.170 0.003 0.000 0.245 311 I C 2.316 178.463 176.117 0.051 0.000 1.104 311 I CA 1.257 62.635 61.300 0.130 0.000 1.397 311 I CB -1.643 36.430 38.000 0.122 0.000 1.072 311 I HN 0.359 nan 8.210 nan 0.000 0.417 312 N N 1.288 120.013 118.700 0.041 0.000 2.061 312 N HA -0.176 4.566 4.740 0.003 0.000 0.193 312 N C 1.889 177.440 175.510 0.067 0.000 1.030 312 N CA 1.299 54.365 53.050 0.027 0.000 0.856 312 N CB -0.298 38.176 38.487 -0.022 0.000 1.023 312 N HN 0.235 nan 8.380 nan 0.000 0.424 313 I N 1.370 121.975 120.570 0.057 0.000 2.226 313 I HA -0.213 3.959 4.170 0.003 0.000 0.245 313 I C 2.137 178.363 176.117 0.183 0.000 1.100 313 I CA 0.873 62.269 61.300 0.159 0.000 1.374 313 I CB -1.046 37.014 38.000 0.099 0.000 1.057 313 I HN 0.309 nan 8.210 nan 0.000 0.413 314 N N 1.165 119.881 118.700 0.027 0.000 2.069 314 N HA -0.224 4.518 4.740 0.003 0.000 0.191 314 N C 1.538 176.978 175.510 -0.117 0.000 1.031 314 N CA 1.487 54.428 53.050 -0.182 0.000 0.852 314 N CB 0.046 38.172 38.487 -0.602 0.000 1.018 314 N HN 0.349 nan 8.380 nan 0.000 0.423 315 N N 0.249 118.918 118.700 -0.051 0.000 2.120 315 N HA -0.175 4.567 4.740 0.003 0.000 0.188 315 N C 1.336 176.900 175.510 0.089 0.000 1.024 315 N CA 0.826 53.871 53.050 -0.008 0.000 0.852 315 N CB -0.770 37.720 38.487 0.005 0.000 1.003 315 N HN 0.472 nan 8.380 nan 0.000 0.424 316 W N 2.225 123.494 121.300 -0.052 0.000 2.363 316 W HA -0.183 4.478 4.660 0.002 0.000 0.296 316 W C 2.498 179.007 176.519 -0.018 0.000 1.212 316 W CA 1.557 58.882 57.345 -0.034 0.000 1.260 316 W CB -0.407 29.034 29.460 -0.033 0.000 1.131 316 W HN 0.117 nan 8.180 nan 0.000 0.530 317 Q N 0.597 120.367 119.800 -0.048 0.000 2.050 317 Q HA -0.198 4.144 4.340 0.003 0.000 0.202 317 Q C 2.239 178.121 176.000 -0.196 0.000 0.980 317 Q CA 2.387 58.041 55.803 -0.248 0.000 0.840 317 Q CB -0.328 28.355 28.738 -0.092 0.000 0.898 317 Q HN 0.300 nan 8.270 nan 0.000 0.424 318 R N -0.565 119.880 120.500 -0.090 0.000 2.073 318 R HA -0.079 4.262 4.340 0.003 0.000 0.234 318 R C 2.533 178.888 176.300 0.092 0.000 1.134 318 R CA 1.659 57.772 56.100 0.021 0.000 0.952 318 R CB -0.336 29.995 30.300 0.053 0.000 0.850 318 R HN 0.175 nan 8.270 nan 0.000 0.433 319 R N 1.021 121.520 120.500 -0.002 0.000 2.081 319 R HA -0.133 4.209 4.340 0.003 0.000 0.235 319 R C 2.428 178.606 176.300 -0.203 0.000 1.131 319 R CA 1.738 57.742 56.100 -0.160 0.000 0.960 319 R CB -0.080 30.075 30.300 -0.242 0.000 0.856 319 R HN 0.233 nan 8.270 nan 0.000 0.436 320 R N -0.745 119.563 120.500 -0.320 0.000 2.148 320 R HA -0.133 4.209 4.340 0.003 0.000 0.227 320 R C 1.934 178.115 176.300 -0.198 0.000 1.103 320 R CA 1.319 57.208 56.100 -0.352 0.000 0.983 320 R CB -0.654 29.231 30.300 -0.692 0.000 0.874 320 R HN 0.191 nan 8.270 nan 0.000 0.451 321 F N 2.115 121.900 119.950 -0.275 0.000 2.084 321 F HA 0.029 4.558 4.527 0.003 0.000 0.296 321 F C 2.498 178.159 175.800 -0.232 0.000 1.111 321 F CA 1.517 59.394 58.000 -0.204 0.000 1.224 321 F CB -0.508 38.404 39.000 -0.148 0.000 0.991 321 F HN 0.134 nan 8.300 nan 0.000 0.471 322 A N -0.074 122.679 122.820 -0.111 0.000 1.940 322 A HA -0.219 4.103 4.320 0.003 0.000 0.219 322 A C 1.966 179.373 177.584 -0.295 0.000 1.176 322 A CA 2.080 53.989 52.037 -0.213 0.000 0.631 322 A CB -1.061 17.946 19.000 0.012 0.000 0.814 322 A HN 0.441 nan 8.150 nan 0.000 0.446 323 D N -0.339 119.915 120.400 -0.243 0.000 2.144 323 D HA -0.114 4.527 4.640 0.003 0.000 0.199 323 D C 1.937 178.075 176.300 -0.271 0.000 0.984 323 D CA 1.323 55.189 54.000 -0.224 0.000 0.834 323 D CB -0.212 40.481 40.800 -0.179 0.000 0.955 323 D HN 0.505 nan 8.370 nan 0.000 0.465 324 K N -0.028 120.170 120.400 -0.336 0.000 2.097 324 K HA -0.038 4.283 4.320 0.003 0.000 0.205 324 K C 2.242 178.518 176.600 -0.541 0.000 1.050 324 K CA 0.530 56.594 56.287 -0.372 0.000 0.938 324 K CB -0.003 32.293 32.500 -0.339 0.000 0.718 324 K HN 0.152 nan 8.250 nan 0.000 0.442 325 I N 0.955 121.006 120.570 -0.866 0.000 2.142 325 I HA -0.307 3.864 4.170 0.003 0.000 0.240 325 I C 2.181 177.966 176.117 -0.553 0.000 1.078 325 I CA 1.340 61.958 61.300 -1.136 0.000 1.343 325 I CB -0.286 37.015 38.000 -1.165 0.000 1.046 325 I HN 0.083 nan 8.210 nan 0.000 0.405 326 I N 0.782 121.114 120.570 -0.397 0.000 2.118 326 I HA -0.352 3.820 4.170 0.003 0.000 0.241 326 I C 2.782 178.778 176.117 -0.201 0.000 1.070 326 I CA 1.686 62.837 61.300 -0.249 0.000 1.327 326 I CB -0.564 37.325 38.000 -0.184 0.000 1.034 326 I HN 0.217 nan 8.210 nan 0.000 0.405 327 A N 0.240 122.946 122.820 -0.190 0.000 1.908 327 A HA -0.286 4.035 4.320 0.003 0.000 0.218 327 A C 2.221 179.741 177.584 -0.107 0.000 1.181 327 A CA 2.165 54.132 52.037 -0.118 0.000 0.627 327 A CB -0.640 18.296 19.000 -0.107 0.000 0.818 327 A HN 0.468 nan 8.150 nan 0.000 0.445 328 E N -0.419 119.682 120.200 -0.164 0.000 2.110 328 E HA -0.131 4.221 4.350 0.003 0.000 0.193 328 E C 0.699 177.129 176.600 -0.284 0.000 0.988 328 E CA 0.859 57.185 56.400 -0.124 0.000 0.804 328 E CB -0.250 29.429 29.700 -0.034 0.000 0.745 328 E HN 0.319 nan 8.360 nan 0.000 0.458 329 L N 1.081 122.095 121.223 -0.348 0.000 2.862 329 L HA 0.233 4.575 4.340 0.003 0.000 0.240 329 L C -0.212 176.365 176.870 -0.489 0.000 1.283 329 L CA 0.562 55.049 54.840 -0.589 0.000 1.117 329 L CB -1.596 40.251 42.059 -0.353 0.000 1.444 329 L HN 0.259 nan 8.230 nan 0.000 0.456 330 F N -1.357 118.581 119.950 -0.020 0.000 2.988 330 F HA -0.391 4.138 4.527 0.003 0.000 0.287 330 F C 1.372 177.148 175.800 -0.039 0.000 0.781 330 F CA 0.387 58.374 58.000 -0.021 0.000 1.221 330 F CB -2.026 36.967 39.000 -0.012 0.000 1.392 330 F HN 0.423 nan 8.300 nan 0.000 0.425 331 N N -0.337 118.392 118.700 0.048 0.000 2.828 331 N HA -0.223 4.519 4.740 0.003 0.000 0.248 331 N C -0.267 175.241 175.510 -0.005 0.000 1.044 331 N CA 1.669 54.721 53.050 0.002 0.000 0.851 331 N CB -0.698 37.798 38.487 0.016 0.000 1.136 331 N HN 0.604 nan 8.380 nan 0.000 0.572 332 T N -0.845 113.713 114.554 0.007 0.000 2.937 332 T HA 0.575 4.926 4.350 0.003 0.000 0.297 332 T C 0.397 175.062 174.700 -0.058 0.000 0.991 332 T CA -0.007 62.085 62.100 -0.013 0.000 0.990 332 T CB 1.017 69.896 68.868 0.020 0.000 0.991 332 T HN 0.518 nan 8.240 nan 0.000 0.440 333 V N 1.752 121.624 119.914 -0.071 0.000 3.276 333 V HA 0.429 4.551 4.120 0.003 0.000 0.319 333 V C 0.587 176.649 176.094 -0.053 0.000 1.476 333 V CA -0.375 61.864 62.300 -0.101 0.000 1.097 333 V CB -0.237 31.515 31.823 -0.117 0.000 0.988 333 V HN 0.764 nan 8.190 nan 0.000 0.473 334 T N 2.964 117.503 114.554 -0.025 0.000 2.831 334 T HA 0.120 4.471 4.350 0.003 0.000 0.291 334 T C 0.540 175.245 174.700 0.007 0.000 0.981 334 T CA 1.386 63.498 62.100 0.019 0.000 1.174 334 T CB -0.142 68.721 68.868 -0.010 0.000 0.929 334 T HN 0.697 nan 8.240 nan 0.000 0.532 335 D N 0.831 121.251 120.400 0.032 0.000 3.039 335 D HA -0.146 4.496 4.640 0.003 0.000 0.222 335 D C 0.279 176.577 176.300 -0.004 0.000 1.179 335 D CA 1.145 55.157 54.000 0.021 0.000 0.880 335 D CB -0.413 40.405 40.800 0.030 0.000 1.115 335 D HN 0.564 nan 8.370 nan 0.000 0.416 336 K N 0.722 121.087 120.400 -0.057 0.000 2.205 336 K HA 0.246 4.567 4.320 0.003 0.000 0.279 336 K C 0.404 176.993 176.600 -0.017 0.000 1.027 336 K CA -0.401 55.799 56.287 -0.145 0.000 0.932 336 K CB 1.223 33.515 32.500 -0.347 0.000 1.032 336 K HN -0.105 nan 8.250 nan 0.000 0.466 337 K N 5.105 125.590 120.400 0.142 0.000 2.276 337 K HA 0.221 4.542 4.320 0.003 0.000 0.285 337 K C -0.653 176.021 176.600 0.123 0.000 1.062 337 K CA -0.328 56.039 56.287 0.132 0.000 0.918 337 K CB 0.515 33.091 32.500 0.128 0.000 1.055 337 K HN 0.596 nan 8.250 nan 0.000 0.477 338 I N 1.974 122.570 120.570 0.043 0.000 2.533 338 I HA 0.457 4.628 4.170 0.003 0.000 0.290 338 I C -1.129 174.984 176.117 -0.007 0.000 1.056 338 I CA -0.695 60.613 61.300 0.013 0.000 1.057 338 I CB 1.960 39.941 38.000 -0.031 0.000 1.240 338 I HN 0.682 nan 8.210 nan 0.000 0.423 339 A N 8.148 130.941 122.820 -0.046 0.000 2.328 339 A HA 0.635 4.956 4.320 0.003 0.000 0.284 339 A C -0.483 177.017 177.584 -0.141 0.000 1.160 339 A CA -0.492 51.496 52.037 -0.081 0.000 0.818 339 A CB 0.393 19.298 19.000 -0.160 0.000 1.087 339 A HN 0.592 nan 8.150 nan 0.000 0.504 340 I N 2.960 123.528 120.570 -0.004 0.000 2.355 340 I HA 0.213 4.384 4.170 0.003 0.000 0.288 340 I C -0.655 175.595 176.117 0.221 0.000 0.999 340 I CA -0.183 61.146 61.300 0.049 0.000 1.163 340 I CB 0.438 38.516 38.000 0.131 0.000 1.316 340 I HN 0.575 nan 8.210 nan 0.000 0.454 341 F N 4.738 124.624 119.950 -0.107 0.000 2.377 341 F HA 0.540 5.069 4.527 0.002 0.000 0.360 341 F C 1.054 176.754 175.800 -0.167 0.000 1.147 341 F CA -0.512 57.249 58.000 -0.398 0.000 1.170 341 F CB 1.155 39.488 39.000 -1.112 0.000 1.339 341 F HN 0.685 nan 8.300 nan 0.000 0.552 342 G N 2.564 111.600 108.800 0.393 0.000 2.885 342 G HA2 -0.169 3.792 3.960 0.003 0.000 0.685 342 G HA3 -0.169 3.792 3.960 0.003 0.000 0.685 342 G C -1.150 174.011 174.900 0.435 0.000 1.216 342 G CA -0.813 44.622 45.100 0.558 0.000 0.790 342 G HN 0.553 nan 8.290 nan 0.000 0.631 343 F N 1.641 121.751 119.950 0.267 0.000 2.835 343 F HA 0.646 5.175 4.527 0.003 0.000 0.341 343 F C 1.657 177.561 175.800 0.173 0.000 0.940 343 F CA 1.343 59.444 58.000 0.169 0.000 1.125 343 F CB 0.238 39.303 39.000 0.108 0.000 0.974 343 F HN 1.087 nan 8.300 nan 0.000 0.601 344 A N 0.814 123.837 122.820 0.339 0.000 2.406 344 A HA 0.219 4.540 4.320 0.003 0.000 0.243 344 A C 0.868 178.480 177.584 0.046 0.000 1.082 344 A CA 0.165 52.319 52.037 0.196 0.000 0.786 344 A CB -0.482 18.623 19.000 0.175 0.000 1.029 344 A HN 0.570 nan 8.150 nan 0.000 0.495 345 F N 0.216 120.151 119.950 -0.025 0.000 2.293 345 F HA 0.144 4.673 4.527 0.003 0.000 0.300 345 F C 0.681 176.448 175.800 -0.055 0.000 1.086 345 F CA 1.014 58.990 58.000 -0.041 0.000 1.375 345 F CB -0.214 38.779 39.000 -0.011 0.000 1.045 345 F HN 0.587 nan 8.300 nan 0.000 0.516 346 K N 0.576 120.454 120.400 -0.870 0.000 2.499 346 K HA 0.385 4.706 4.320 0.003 0.000 0.277 346 K C -1.183 174.956 176.600 -0.768 0.000 1.025 346 K CA -1.218 54.638 56.287 -0.719 0.000 0.900 346 K CB 1.380 33.391 32.500 -0.815 0.000 1.494 346 K HN 0.149 nan 8.250 nan 0.000 0.442 347 K N 0.629 120.557 120.400 -0.787 0.000 2.180 347 K HA 0.210 4.532 4.320 0.003 0.000 0.251 347 K C -0.559 175.442 176.600 -0.998 0.000 1.014 347 K CA -0.272 55.267 56.287 -1.247 0.000 0.913 347 K CB 0.116 32.061 32.500 -0.925 0.000 1.008 347 K HN 0.699 nan 8.250 nan 0.000 0.490 348 N N -0.475 117.462 118.700 -1.272 0.000 2.738 348 N HA -0.177 4.565 4.740 0.003 0.000 0.249 348 N C -1.160 174.239 175.510 -0.185 0.000 1.047 348 N CA 1.594 54.404 53.050 -0.400 0.000 0.707 348 N CB -1.567 36.804 38.487 -0.192 0.000 0.937 348 N HN 0.873 nan 8.380 nan 0.000 0.545 349 T N -3.075 111.396 114.554 -0.138 0.000 2.786 349 T HA 0.604 4.956 4.350 0.003 0.000 0.316 349 T C 0.527 175.339 174.700 0.185 0.000 1.503 349 T CA 0.051 62.170 62.100 0.033 0.000 1.019 349 T CB 1.260 70.082 68.868 -0.076 0.000 1.415 349 T HN 0.123 nan 8.240 nan 0.000 0.496 350 G N 0.909 109.815 108.800 0.176 0.000 3.393 350 G HA2 0.226 4.188 3.960 0.003 0.000 0.255 350 G HA3 0.226 4.188 3.960 0.003 0.000 0.255 350 G C 0.023 175.035 174.900 0.188 0.000 1.097 350 G CA -0.147 45.069 45.100 0.193 0.000 0.780 350 G HN 0.651 nan 8.290 nan 0.000 0.540 351 D N 1.293 121.808 120.400 0.192 0.000 2.383 351 D HA 0.202 4.844 4.640 0.003 0.000 0.252 351 D C 1.419 177.934 176.300 0.358 0.000 1.166 351 D CA 0.357 54.510 54.000 0.255 0.000 0.879 351 D CB 1.361 42.368 40.800 0.345 0.000 1.164 351 D HN 0.123 nan 8.370 nan 0.000 0.462 352 T N 0.417 115.129 114.554 0.264 0.000 3.091 352 T HA 0.233 4.585 4.350 0.003 0.000 0.277 352 T C 0.845 175.613 174.700 0.112 0.000 0.996 352 T CA -0.517 61.720 62.100 0.228 0.000 0.897 352 T CB 0.112 69.142 68.868 0.271 0.000 1.109 352 T HN 0.201 nan 8.240 nan 0.000 0.534 353 R N 2.400 122.926 120.500 0.042 0.000 2.537 353 R HA 0.147 4.489 4.340 0.003 0.000 0.280 353 R C 0.154 176.385 176.300 -0.114 0.000 1.058 353 R CA -0.145 55.918 56.100 -0.063 0.000 1.057 353 R CB 0.133 30.353 30.300 -0.132 0.000 0.973 353 R HN 0.262 nan 8.270 nan 0.000 0.438 354 E N -0.331 119.852 120.200 -0.029 0.000 2.604 354 E HA -0.232 4.119 4.350 0.003 0.000 0.255 354 E C -0.281 176.361 176.600 0.070 0.000 1.164 354 E CA 1.027 57.451 56.400 0.040 0.000 0.737 354 E CB -1.342 28.364 29.700 0.009 0.000 1.317 354 E HN 0.590 nan 8.360 nan 0.000 0.417 355 S N -0.513 115.213 115.700 0.042 0.000 2.562 355 S HA 0.183 4.654 4.470 0.003 0.000 0.281 355 S C 1.435 176.049 174.600 0.024 0.000 1.333 355 S CA 0.327 58.553 58.200 0.042 0.000 1.052 355 S CB 1.011 64.151 63.200 -0.099 0.000 0.884 355 S HN 0.197 nan 8.310 nan 0.000 0.506 356 S N 4.084 119.793 115.700 0.017 0.000 2.428 356 S HA -0.014 4.457 4.470 0.003 0.000 0.230 356 S C 2.183 176.745 174.600 -0.063 0.000 1.014 356 S CA 0.805 59.001 58.200 -0.007 0.000 0.957 356 S CB -0.525 62.642 63.200 -0.056 0.000 0.784 356 S HN 0.849 nan 8.310 nan 0.000 0.499 357 A N 1.977 124.711 122.820 -0.143 0.000 1.908 357 A HA -0.093 4.228 4.320 0.003 0.000 0.218 357 A C 2.012 179.415 177.584 -0.301 0.000 1.181 357 A CA 1.236 53.148 52.037 -0.208 0.000 0.627 357 A CB -0.750 18.067 19.000 -0.304 0.000 0.818 357 A HN 0.480 nan 8.150 nan 0.000 0.445 358 I N -0.997 119.291 120.570 -0.471 0.000 2.127 358 I HA -0.302 3.870 4.170 0.003 0.000 0.241 358 I C 2.481 178.358 176.117 -0.399 0.000 1.075 358 I CA 1.641 62.668 61.300 -0.456 0.000 1.334 358 I CB -0.643 37.042 38.000 -0.525 0.000 1.040 358 I HN 0.453 nan 8.210 nan 0.000 0.405 359 H N -0.232 118.703 119.070 -0.225 0.000 2.428 359 H HA -0.028 4.530 4.556 0.003 0.000 0.296 359 H C 2.470 177.490 175.328 -0.513 0.000 1.062 359 H CA 1.294 57.138 56.048 -0.341 0.000 1.350 359 H CB -0.086 29.513 29.762 -0.272 0.000 1.403 359 H HN 0.214 nan 8.280 nan 0.000 0.533 360 V N 1.221 121.045 119.914 -0.150 0.000 2.515 360 V HA -0.182 3.939 4.120 0.003 0.000 0.250 360 V C 2.581 178.645 176.094 -0.050 0.000 1.058 360 V CA 1.147 63.421 62.300 -0.044 0.000 1.064 360 V CB -0.398 31.480 31.823 0.093 0.000 0.675 360 V HN 0.256 nan 8.190 nan 0.000 0.461 361 I N -0.051 120.481 120.570 -0.064 0.000 2.252 361 I HA -0.233 3.938 4.170 0.003 0.000 0.245 361 I C 2.571 178.665 176.117 -0.038 0.000 1.102 361 I CA 1.633 62.923 61.300 -0.017 0.000 1.385 361 I CB -0.346 37.684 38.000 0.049 0.000 1.064 361 I HN 0.257 nan 8.210 nan 0.000 0.414 362 K N 0.346 120.681 120.400 -0.109 0.000 2.063 362 K HA -0.259 4.062 4.320 0.003 0.000 0.208 362 K C 2.247 178.844 176.600 -0.005 0.000 1.048 362 K CA 1.684 57.917 56.287 -0.091 0.000 0.928 362 K CB -0.126 32.279 32.500 -0.159 0.000 0.713 362 K HN 0.342 nan 8.250 nan 0.000 0.442 363 H N 0.569 119.646 119.070 0.011 0.000 2.387 363 H HA -0.106 4.452 4.556 0.003 0.000 0.299 363 H C 2.136 177.451 175.328 -0.021 0.000 1.090 363 H CA 1.415 57.461 56.048 -0.002 0.000 1.332 363 H CB -0.283 29.471 29.762 -0.013 0.000 1.386 363 H HN 0.211 nan 8.280 nan 0.000 0.516 364 L N -0.464 120.807 121.223 0.080 0.000 2.156 364 L HA -0.085 4.257 4.340 0.003 0.000 0.208 364 L C 2.563 179.446 176.870 0.020 0.000 1.095 364 L CA 0.600 55.449 54.840 0.014 0.000 0.770 364 L CB -0.285 41.758 42.059 -0.027 0.000 0.914 364 L HN 0.163 nan 8.230 nan 0.000 0.439 365 M N -0.705 118.906 119.600 0.019 0.000 2.213 365 M HA -0.207 4.275 4.480 0.003 0.000 0.263 365 M C 1.993 178.313 176.300 0.033 0.000 1.062 365 M CA 1.579 56.879 55.300 0.000 0.000 1.105 365 M CB -0.225 32.364 32.600 -0.019 0.000 1.385 365 M HN 0.187 nan 8.290 nan 0.000 0.417 366 E N -0.016 120.230 120.200 0.077 0.000 2.265 366 E HA -0.154 4.198 4.350 0.003 0.000 0.196 366 E C 1.335 178.045 176.600 0.183 0.000 0.996 366 E CA 0.680 57.155 56.400 0.125 0.000 0.832 366 E CB 0.108 29.872 29.700 0.108 0.000 0.756 366 E HN 0.452 nan 8.360 nan 0.000 0.491 367 E N -0.294 119.985 120.200 0.131 0.000 2.479 367 E HA -0.009 4.343 4.350 0.003 0.000 0.193 367 E C -0.376 176.334 176.600 0.183 0.000 1.049 367 E CA 0.071 56.530 56.400 0.098 0.000 0.870 367 E CB 0.161 29.870 29.700 0.015 0.000 0.944 367 E HN 0.400 nan 8.360 nan 0.000 0.492 368 H N -1.010 118.049 119.070 -0.018 0.000 2.936 368 H HA -0.142 4.416 4.556 0.003 0.000 0.276 368 H C 0.267 175.580 175.328 -0.026 0.000 1.216 368 H CA 0.080 56.118 56.048 -0.016 0.000 1.132 368 H CB -1.526 28.227 29.762 -0.014 0.000 1.303 368 H HN 0.184 nan 8.280 nan 0.000 0.370 369 A N 1.533 124.384 122.820 0.051 0.000 2.498 369 A HA 0.229 4.550 4.320 0.003 0.000 0.239 369 A C 0.723 178.307 177.584 -0.001 0.000 1.068 369 A CA 0.003 52.041 52.037 0.002 0.000 0.766 369 A CB 0.480 19.464 19.000 -0.027 0.000 1.003 369 A HN 0.224 nan 8.150 nan 0.000 0.497 370 K N 2.448 122.849 120.400 0.001 0.000 2.284 370 K HA 0.343 4.665 4.320 0.003 0.000 0.287 370 K C -1.151 175.457 176.600 0.013 0.000 1.081 370 K CA 0.269 56.562 56.287 0.008 0.000 0.910 370 K CB 0.583 33.095 32.500 0.020 0.000 1.088 370 K HN 0.567 nan 8.250 nan 0.000 0.478 371 L N 2.312 123.542 121.223 0.013 0.000 2.294 371 L HA 0.246 4.588 4.340 0.003 0.000 0.283 371 L C -0.046 176.845 176.870 0.036 0.000 1.015 371 L CA -0.490 54.364 54.840 0.023 0.000 0.831 371 L CB 1.605 43.679 42.059 0.024 0.000 1.217 371 L HN 0.351 nan 8.230 nan 0.000 0.420 372 S N 2.722 118.451 115.700 0.049 0.000 2.411 372 S HA 0.441 4.912 4.470 0.003 0.000 0.294 372 S C 0.033 174.701 174.600 0.113 0.000 1.115 372 S CA -0.634 57.609 58.200 0.070 0.000 1.071 372 S CB 1.107 64.351 63.200 0.074 0.000 0.967 372 S HN 0.264 nan 8.310 nan 0.000 0.488 373 V N 4.611 124.593 119.914 0.113 0.000 2.439 373 V HA 0.334 4.456 4.120 0.003 0.000 0.282 373 V C -0.668 175.558 176.094 0.220 0.000 1.039 373 V CA -0.709 61.687 62.300 0.160 0.000 0.913 373 V CB 0.531 32.408 31.823 0.091 0.000 0.983 373 V HN 0.809 nan 8.190 nan 0.000 0.460 374 Y N 4.072 124.469 120.300 0.162 0.000 2.328 374 Y HA 0.554 5.105 4.550 0.003 0.000 0.336 374 Y C -0.536 175.468 175.900 0.172 0.000 0.960 374 Y CA -1.006 57.165 58.100 0.118 0.000 1.134 374 Y CB 1.424 39.935 38.460 0.085 0.000 1.166 374 Y HN 0.732 nan 8.280 nan 0.000 0.464 375 D N 7.486 127.557 120.400 -0.549 0.000 2.498 375 D HA 0.311 4.953 4.640 0.003 0.000 0.247 375 D C -2.230 173.389 176.300 -1.136 0.000 1.070 375 D CA -2.152 51.440 54.000 -0.680 0.000 0.842 375 D CB 3.113 43.858 40.800 -0.092 0.000 1.361 375 D HN 0.319 nan 8.370 nan 0.000 0.484 376 P HA -0.072 nan 4.420 nan 0.000 0.220 376 P C 0.757 177.689 177.300 -0.612 0.000 1.148 376 P CA 1.232 63.732 63.100 -1.001 0.000 0.803 376 P CB 0.529 31.445 31.700 -1.308 0.000 0.782 377 K N -1.303 118.780 120.400 -0.529 0.000 2.362 377 K HA 0.119 4.441 4.320 0.003 0.000 0.203 377 K C 0.145 176.714 176.600 -0.052 0.000 1.198 377 K CA 0.242 56.418 56.287 -0.184 0.000 0.908 377 K CB -0.048 32.471 32.500 0.031 0.000 1.236 377 K HN -0.273 nan 8.250 nan 0.000 0.487 378 V N 3.814 123.729 119.914 0.002 0.000 2.617 378 V HA -0.015 4.106 4.120 0.003 0.000 0.304 378 V C 0.039 176.111 176.094 -0.037 0.000 1.040 378 V CA 0.231 62.558 62.300 0.044 0.000 1.149 378 V CB 0.737 32.645 31.823 0.141 0.000 0.914 378 V HN 0.362 nan 8.190 nan 0.000 0.487 379 Q N 3.181 122.968 119.800 -0.022 0.000 2.337 379 Q HA 0.062 4.403 4.340 0.003 0.000 0.270 379 Q C 1.352 177.300 176.000 -0.086 0.000 1.002 379 Q CA 0.244 56.021 55.803 -0.044 0.000 0.888 379 Q CB 0.488 29.212 28.738 -0.022 0.000 1.222 379 Q HN 0.657 nan 8.270 nan 0.000 0.400 380 K N 1.349 121.699 120.400 -0.084 0.000 2.089 380 K HA -0.283 4.038 4.320 0.003 0.000 0.210 380 K C 1.796 178.338 176.600 -0.097 0.000 1.048 380 K CA 1.987 58.214 56.287 -0.100 0.000 0.926 380 K CB -0.099 32.363 32.500 -0.063 0.000 0.714 380 K HN 0.721 nan 8.250 nan 0.000 0.448 381 S N -0.116 115.547 115.700 -0.062 0.000 2.383 381 S HA -0.211 4.260 4.470 0.003 0.000 0.227 381 S C 2.097 176.670 174.600 -0.045 0.000 1.026 381 S CA 1.248 59.420 58.200 -0.046 0.000 0.981 381 S CB -0.305 62.879 63.200 -0.026 0.000 0.818 381 S HN 0.421 nan 8.310 nan 0.000 0.472 382 Q N 1.027 120.801 119.800 -0.044 0.000 2.119 382 Q HA 0.132 4.474 4.340 0.003 0.000 0.201 382 Q C 2.102 178.080 176.000 -0.037 0.000 0.972 382 Q CA 1.648 57.446 55.803 -0.010 0.000 0.847 382 Q CB -0.531 28.223 28.738 0.027 0.000 0.903 382 Q HN 0.686 nan 8.270 nan 0.000 0.433 383 M N -0.745 118.732 119.600 -0.206 0.000 2.059 383 M HA -0.153 4.329 4.480 0.003 0.000 0.259 383 M C 2.026 178.192 176.300 -0.223 0.000 1.072 383 M CA 1.476 56.472 55.300 -0.506 0.000 1.117 383 M CB -0.362 31.773 32.600 -0.775 0.000 1.320 383 M HN 0.237 nan 8.290 nan 0.000 0.408 384 L N 0.068 121.197 121.223 -0.157 0.000 2.083 384 L HA -0.245 4.097 4.340 0.003 0.000 0.209 384 L C 2.129 178.983 176.870 -0.028 0.000 1.083 384 L CA 0.871 55.663 54.840 -0.079 0.000 0.752 384 L CB -0.863 41.157 42.059 -0.066 0.000 0.899 384 L HN 0.388 nan 8.230 nan 0.000 0.433 385 N N -0.298 118.392 118.700 -0.016 0.000 2.216 385 N HA -0.156 4.586 4.740 0.003 0.000 0.183 385 N C 1.445 176.974 175.510 0.032 0.000 1.017 385 N CA 1.104 54.159 53.050 0.009 0.000 0.861 385 N CB -0.246 38.247 38.487 0.011 0.000 0.986 385 N HN 0.300 nan 8.380 nan 0.000 0.428 386 D N 1.059 121.498 120.400 0.066 0.000 2.097 386 D HA -0.049 4.592 4.640 0.003 0.000 0.195 386 D C 2.174 178.521 176.300 0.078 0.000 0.989 386 D CA 0.560 54.622 54.000 0.104 0.000 0.827 386 D CB -0.170 40.773 40.800 0.239 0.000 0.966 386 D HN 0.204 nan 8.370 nan 0.000 0.456 387 L N 0.683 121.970 121.223 0.106 0.000 2.131 387 L HA -0.136 4.206 4.340 0.003 0.000 0.210 387 L C 2.558 179.438 176.870 0.015 0.000 1.092 387 L CA 0.971 55.848 54.840 0.061 0.000 0.759 387 L CB -0.399 41.706 42.059 0.076 0.000 0.903 387 L HN -0.039 nan 8.230 nan 0.000 0.435 388 A N 0.271 123.099 122.820 0.013 0.000 1.902 388 A HA -0.213 4.109 4.320 0.003 0.000 0.217 388 A C 2.523 180.111 177.584 0.007 0.000 1.181 388 A CA 1.977 54.017 52.037 0.005 0.000 0.623 388 A CB -0.649 18.354 19.000 0.004 0.000 0.818 388 A HN 0.514 nan 8.150 nan 0.000 0.443 389 S N -0.191 115.516 115.700 0.011 0.000 2.481 389 S HA -0.042 4.430 4.470 0.003 0.000 0.231 389 S C 1.499 176.103 174.600 0.007 0.000 0.996 389 S CA 1.217 59.425 58.200 0.012 0.000 0.942 389 S CB -0.678 62.532 63.200 0.017 0.000 0.768 389 S HN 1.035 nan 8.310 nan 0.000 0.520 390 V N -0.566 119.342 119.914 -0.009 0.000 3.650 390 V HA 0.272 4.394 4.120 0.003 0.000 0.271 390 V C 1.412 177.503 176.094 -0.004 0.000 1.281 390 V CA 0.789 63.080 62.300 -0.015 0.000 1.120 390 V CB -0.747 31.028 31.823 -0.079 0.000 0.856 390 V HN 0.713 nan 8.190 nan 0.000 0.443 391 T N -1.393 113.159 114.554 -0.003 0.000 2.614 391 T HA 0.538 4.890 4.350 0.003 0.000 0.163 391 T C 0.541 175.243 174.700 0.002 0.000 0.806 391 T CA 0.598 62.698 62.100 0.000 0.000 1.020 391 T CB 0.633 69.495 68.868 -0.010 0.000 2.539 391 T HN 1.198 nan 8.240 nan 0.000 0.380 392 S N -0.611 115.087 115.700 -0.005 0.000 2.537 392 S HA 0.703 5.175 4.470 0.003 0.000 0.271 392 S C 1.067 175.662 174.600 -0.008 0.000 1.148 392 S CA -0.195 58.003 58.200 -0.003 0.000 0.868 392 S CB 1.193 64.391 63.200 -0.003 0.000 1.115 392 S HN 1.089 nan 8.310 nan 0.000 0.461 393 A N 1.641 124.458 122.820 -0.005 0.000 1.948 393 A HA -0.174 4.148 4.320 0.003 0.000 0.220 393 A C 2.119 179.695 177.584 -0.012 0.000 1.177 393 A CA 2.201 54.233 52.037 -0.007 0.000 0.636 393 A CB -1.191 17.808 19.000 -0.003 0.000 0.815 393 A HN 0.922 nan 8.150 nan 0.000 0.449 394 Q N -0.563 119.229 119.800 -0.012 0.000 2.002 394 Q HA -0.222 4.119 4.340 0.003 0.000 0.204 394 Q C 1.612 177.594 176.000 -0.030 0.000 0.988 394 Q CA 1.888 57.681 55.803 -0.017 0.000 0.843 394 Q CB -0.213 28.518 28.738 -0.012 0.000 0.908 394 Q HN 0.680 nan 8.270 nan 0.000 0.420 395 D N -0.332 120.045 120.400 -0.038 0.000 2.123 395 D HA -0.161 4.481 4.640 0.003 0.000 0.196 395 D C 1.952 178.218 176.300 -0.057 0.000 0.992 395 D CA 1.715 55.676 54.000 -0.065 0.000 0.833 395 D CB -0.049 40.709 40.800 -0.071 0.000 0.954 395 D HN 0.343 nan 8.370 nan 0.000 0.455 396 V N 0.110 120.002 119.914 -0.036 0.000 2.407 396 V HA -0.196 3.926 4.120 0.003 0.000 0.248 396 V C 2.252 178.329 176.094 -0.029 0.000 1.055 396 V CA 1.793 64.075 62.300 -0.029 0.000 1.049 396 V CB -0.546 31.265 31.823 -0.020 0.000 0.662 396 V HN -0.090 nan 8.190 nan 0.000 0.455 397 E N 1.248 121.432 120.200 -0.027 0.000 2.077 397 E HA -0.170 4.182 4.350 0.003 0.000 0.193 397 E C 2.282 178.867 176.600 -0.024 0.000 0.989 397 E CA 1.743 58.130 56.400 -0.022 0.000 0.800 397 E CB -0.307 29.383 29.700 -0.018 0.000 0.746 397 E HN 0.683 nan 8.360 nan 0.000 0.452 398 R N -0.880 119.599 120.500 -0.035 0.000 2.119 398 R HA 0.119 4.461 4.340 0.003 0.000 0.222 398 R C 1.982 178.259 176.300 -0.039 0.000 1.088 398 R CA 1.106 57.184 56.100 -0.038 0.000 0.984 398 R CB 0.066 30.332 30.300 -0.058 0.000 0.884 398 R HN 0.213 nan 8.270 nan 0.000 0.447 399 L N -0.449 120.747 121.223 -0.045 0.000 2.653 399 L HA 0.256 4.598 4.340 0.003 0.000 0.230 399 L C 0.026 176.885 176.870 -0.019 0.000 1.055 399 L CA -0.214 54.601 54.840 -0.041 0.000 0.880 399 L CB 0.491 42.508 42.059 -0.069 0.000 1.195 399 L HN -0.004 nan 8.230 nan 0.000 0.492 400 I N 1.413 121.973 120.570 -0.018 0.000 2.315 400 I HA 0.203 4.374 4.170 0.003 0.000 0.291 400 I C 0.505 176.617 176.117 -0.008 0.000 1.006 400 I CA 0.105 61.399 61.300 -0.009 0.000 1.265 400 I CB 1.011 39.001 38.000 -0.016 0.000 1.387 400 I HN 0.079 nan 8.210 nan 0.000 0.475 401 T N 3.799 118.355 114.554 0.003 0.000 2.925 401 T HA 0.706 5.057 4.350 0.003 0.000 0.285 401 T C -0.434 174.272 174.700 0.009 0.000 1.021 401 T CA -0.752 61.351 62.100 0.006 0.000 1.042 401 T CB 2.254 71.131 68.868 0.016 0.000 1.037 401 T HN 0.404 nan 8.240 nan 0.000 0.481 402 V N 1.639 121.556 119.914 0.005 0.000 2.531 402 V HA 0.653 4.775 4.120 0.003 0.000 0.301 402 V C -1.111 175.008 176.094 0.041 0.000 1.034 402 V CA -0.613 61.694 62.300 0.012 0.000 0.865 402 V CB 1.585 33.383 31.823 -0.041 0.000 0.995 402 V HN 1.022 nan 8.190 nan 0.000 0.424 403 E N 3.651 123.906 120.200 0.092 0.000 2.212 403 E HA 0.471 4.823 4.350 0.003 0.000 0.270 403 E C 0.327 177.031 176.600 0.173 0.000 0.956 403 E CA -0.068 56.389 56.400 0.096 0.000 0.825 403 E CB 2.054 31.804 29.700 0.083 0.000 1.167 403 E HN 0.863 nan 8.360 nan 0.000 0.400 404 S N -0.567 115.192 115.700 0.098 0.000 2.554 404 S HA 0.098 4.569 4.470 0.003 0.000 0.226 404 S C 0.121 174.644 174.600 -0.128 0.000 0.980 404 S CA -0.391 57.891 58.200 0.138 0.000 0.939 404 S CB 0.171 63.419 63.200 0.081 0.000 0.832 404 S HN 0.356 nan 8.310 nan 0.000 0.486 405 D N 2.208 122.477 120.400 -0.217 0.000 2.425 405 D HA 0.402 5.044 4.640 0.003 0.000 0.240 405 D C -1.771 174.260 176.300 -0.448 0.000 1.080 405 D CA -2.376 51.417 54.000 -0.345 0.000 0.836 405 D CB 2.054 42.790 40.800 -0.107 0.000 1.125 405 D HN -0.129 nan 8.370 nan 0.000 0.525 406 P HA -0.170 nan 4.420 nan 0.000 0.218 406 P C 0.882 178.038 177.300 -0.240 0.000 1.148 406 P CA 1.082 63.826 63.100 -0.594 0.000 0.822 406 P CB 0.128 31.234 31.700 -0.990 0.000 0.784 407 Y N 0.429 120.644 120.300 -0.141 0.000 2.373 407 Y HA 0.025 4.577 4.550 0.003 0.000 0.293 407 Y C 2.803 178.701 175.900 -0.004 0.000 1.129 407 Y CA 1.119 59.197 58.100 -0.037 0.000 1.226 407 Y CB -1.206 37.211 38.460 -0.072 0.000 1.000 407 Y HN -0.037 nan 8.280 nan 0.000 0.549 408 A N -0.140 122.743 122.820 0.105 0.000 1.968 408 A HA 0.015 4.336 4.320 0.003 0.000 0.217 408 A C 2.387 180.013 177.584 0.071 0.000 1.169 408 A CA 1.269 53.346 52.037 0.067 0.000 0.638 408 A CB -0.975 18.043 19.000 0.031 0.000 0.812 408 A HN 0.361 nan 8.150 nan 0.000 0.446 409 A N 0.016 122.892 122.820 0.093 0.000 1.902 409 A HA 0.186 4.508 4.320 0.003 0.000 0.217 409 A C 2.407 180.055 177.584 0.107 0.000 1.181 409 A CA 1.903 54.017 52.037 0.128 0.000 0.623 409 A CB -0.846 18.294 19.000 0.233 0.000 0.818 409 A HN 1.010 nan 8.150 nan 0.000 0.443 410 A N -0.815 122.084 122.820 0.131 0.000 2.067 410 A HA 0.078 4.399 4.320 0.003 0.000 0.217 410 A C 1.502 179.119 177.584 0.055 0.000 1.156 410 A CA 0.420 52.510 52.037 0.089 0.000 0.683 410 A CB -0.313 18.774 19.000 0.146 0.000 0.808 410 A HN 0.465 nan 8.150 nan 0.000 0.455 411 R N -0.022 120.515 120.500 0.062 0.000 2.446 411 R HA 0.284 4.625 4.340 0.003 0.000 0.314 411 R C 1.208 177.503 176.300 -0.009 0.000 1.003 411 R CA 0.968 57.087 56.100 0.031 0.000 1.018 411 R CB -0.373 29.952 30.300 0.041 0.000 0.945 411 R HN 0.689 nan 8.270 nan 0.000 0.419 412 G N 2.286 111.051 108.800 -0.059 0.000 2.184 412 G HA2 -0.354 3.608 3.960 0.003 0.000 0.264 412 G HA3 -0.354 3.608 3.960 0.003 0.000 0.264 412 G C 0.205 175.026 174.900 -0.132 0.000 0.975 412 G CA 0.170 45.209 45.100 -0.103 0.000 0.642 412 G HN 0.909 nan 8.290 nan 0.000 0.536 413 A N -0.414 122.354 122.820 -0.086 0.000 2.386 413 A HA 0.619 4.940 4.320 0.003 0.000 0.248 413 A C 1.071 178.577 177.584 -0.129 0.000 1.082 413 A CA 0.666 52.679 52.037 -0.039 0.000 0.789 413 A CB 0.181 19.179 19.000 -0.003 0.000 1.025 413 A HN 0.479 nan 8.150 nan 0.000 0.490 414 H N 0.285 119.329 119.070 -0.044 0.000 2.520 414 H HA 0.345 4.902 4.556 0.003 0.000 0.279 414 H C 0.639 175.972 175.328 0.008 0.000 0.990 414 H CA 1.118 57.139 56.048 -0.044 0.000 1.288 414 H CB 0.507 30.235 29.762 -0.057 0.000 1.446 414 H HN 0.744 nan 8.280 nan 0.000 0.538 415 A N 1.371 124.276 122.820 0.141 0.000 2.475 415 A HA 0.522 4.844 4.320 0.003 0.000 0.301 415 A C -0.927 176.696 177.584 0.066 0.000 1.059 415 A CA -0.608 51.528 52.037 0.164 0.000 0.710 415 A CB 1.798 20.889 19.000 0.152 0.000 1.288 415 A HN 0.023 nan 8.150 nan 0.000 0.408 416 I N 1.840 122.449 120.570 0.065 0.000 2.377 416 I HA 0.484 4.656 4.170 0.003 0.000 0.293 416 I C -0.551 175.532 176.117 -0.057 0.000 0.987 416 I CA -0.749 60.451 61.300 -0.166 0.000 1.185 416 I CB 1.193 39.022 38.000 -0.285 0.000 1.341 416 I HN 0.269 nan 8.210 nan 0.000 0.455 417 V N 6.531 126.355 119.914 -0.150 0.000 2.409 417 V HA 0.282 4.404 4.120 0.003 0.000 0.290 417 V C -0.083 176.015 176.094 0.007 0.000 1.017 417 V CA -0.886 61.429 62.300 0.025 0.000 0.841 417 V CB 2.219 34.049 31.823 0.011 0.000 1.003 417 V HN 0.546 nan 8.190 nan 0.000 0.426 418 V N 6.968 126.939 119.914 0.096 0.000 2.406 418 V HA 0.524 4.645 4.120 0.003 0.000 0.272 418 V C 0.136 176.310 176.094 0.134 0.000 1.043 418 V CA 0.317 62.670 62.300 0.088 0.000 0.915 418 V CB 1.193 33.067 31.823 0.085 0.000 0.988 418 V HN 0.811 nan 8.190 nan 0.000 0.466 419 L N 4.626 125.931 121.223 0.137 0.000 2.920 419 L HA 0.395 4.737 4.340 0.003 0.000 0.257 419 L C 0.403 177.331 176.870 0.097 0.000 1.150 419 L CA 0.218 55.109 54.840 0.085 0.000 0.959 419 L CB 0.818 42.930 42.059 0.088 0.000 1.321 419 L HN 0.748 nan 8.230 nan 0.000 0.555 420 T N -0.402 114.290 114.554 0.230 0.000 2.933 420 T HA 0.150 4.502 4.350 0.003 0.000 0.305 420 T C 0.168 175.030 174.700 0.269 0.000 1.092 420 T CA -0.565 61.646 62.100 0.186 0.000 1.008 420 T CB 2.151 71.160 68.868 0.235 0.000 1.102 420 T HN 0.069 nan 8.240 nan 0.000 0.469 421 E N 1.253 121.450 120.200 -0.004 0.000 2.296 421 E HA -0.007 4.345 4.350 0.003 0.000 0.196 421 E C -0.771 175.814 176.600 -0.026 0.000 1.143 421 E CA -0.564 55.854 56.400 0.031 0.000 1.145 421 E CB -0.265 29.400 29.700 -0.059 0.000 1.215 421 E HN 0.630 nan 8.360 nan 0.000 0.447 422 W N 1.730 123.005 121.300 -0.041 0.000 2.343 422 W HA -0.011 4.651 4.660 0.003 0.000 0.337 422 W C 1.271 177.628 176.519 -0.271 0.000 1.320 422 W CA -0.032 57.120 57.345 -0.322 0.000 1.290 422 W CB 0.487 29.440 29.460 -0.846 0.000 1.206 422 W HN 0.121 nan 8.180 nan 0.000 0.565 423 D N 2.062 122.498 120.400 0.059 0.000 2.219 423 D HA -0.204 4.438 4.640 0.003 0.000 0.205 423 D C 1.831 178.150 176.300 0.031 0.000 0.970 423 D CA 1.686 55.714 54.000 0.047 0.000 0.851 423 D CB 0.040 40.865 40.800 0.041 0.000 0.943 423 D HN 0.700 nan 8.370 nan 0.000 0.488 424 E N 0.292 120.454 120.200 -0.064 0.000 2.268 424 E HA -0.157 4.195 4.350 0.003 0.000 0.195 424 E C 1.583 178.197 176.600 0.024 0.000 0.995 424 E CA 0.593 56.950 56.400 -0.072 0.000 0.836 424 E CB -0.402 29.206 29.700 -0.153 0.000 0.763 424 E HN 0.167 nan 8.360 nan 0.000 0.491 425 F N 2.063 122.083 119.950 0.117 0.000 2.234 425 F HA 0.001 4.529 4.527 0.002 0.000 0.299 425 F C 1.067 177.017 175.800 0.251 0.000 1.087 425 F CA -0.198 57.887 58.000 0.142 0.000 1.340 425 F CB -0.697 38.450 39.000 0.244 0.000 1.031 425 F HN -0.180 nan 8.300 nan 0.000 0.500 426 V N 1.029 121.156 119.914 0.356 0.000 2.529 426 V HA 0.007 4.129 4.120 0.003 0.000 0.292 426 V C 0.658 176.901 176.094 0.249 0.000 1.028 426 V CA -0.640 61.825 62.300 0.276 0.000 1.074 426 V CB 0.178 32.100 31.823 0.165 0.000 0.958 426 V HN 0.324 nan 8.190 nan 0.000 0.481 427 E N 1.846 122.228 120.200 0.303 0.000 2.389 427 E HA -0.217 4.134 4.350 0.003 0.000 0.243 427 E C -0.271 176.424 176.600 0.158 0.000 1.154 427 E CA 0.371 56.911 56.400 0.233 0.000 0.723 427 E CB -1.187 28.603 29.700 0.150 0.000 1.261 427 E HN 0.666 nan 8.360 nan 0.000 0.390 428 L N -0.001 121.273 121.223 0.086 0.000 2.473 428 L HA 0.140 4.482 4.340 0.003 0.000 0.268 428 L C 1.337 178.174 176.870 -0.055 0.000 1.215 428 L CA -0.324 54.459 54.840 -0.095 0.000 0.823 428 L CB 0.237 41.987 42.059 -0.514 0.000 1.099 428 L HN 0.132 nan 8.230 nan 0.000 0.483 429 N N 0.599 119.381 118.700 0.137 0.000 2.498 429 N HA -0.035 4.707 4.740 0.003 0.000 0.277 429 N C 0.382 175.983 175.510 0.152 0.000 1.208 429 N CA 0.395 53.552 53.050 0.178 0.000 1.029 429 N CB 0.082 38.687 38.487 0.196 0.000 1.403 429 N HN 0.437 nan 8.380 nan 0.000 0.500 430 Y N 0.792 121.249 120.300 0.263 0.000 2.516 430 Y HA -0.051 4.501 4.550 0.003 0.000 0.291 430 Y C 2.435 178.576 175.900 0.402 0.000 1.131 430 Y CA 0.433 58.741 58.100 0.347 0.000 1.281 430 Y CB 0.330 38.951 38.460 0.268 0.000 1.013 430 Y HN 0.443 nan 8.280 nan 0.000 0.554 431 S N -0.372 115.550 115.700 0.370 0.000 2.387 431 S HA -0.202 4.269 4.470 0.003 0.000 0.226 431 S C 2.068 176.808 174.600 0.233 0.000 1.026 431 S CA 1.072 59.420 58.200 0.247 0.000 0.972 431 S CB -0.120 63.175 63.200 0.158 0.000 0.814 431 S HN 0.550 nan 8.310 nan 0.000 0.477 432 Q N 0.409 120.340 119.800 0.219 0.000 2.046 432 Q HA -0.064 4.278 4.340 0.003 0.000 0.200 432 Q C 2.117 178.251 176.000 0.224 0.000 0.975 432 Q CA 1.429 57.343 55.803 0.185 0.000 0.836 432 Q CB -0.243 28.588 28.738 0.155 0.000 0.896 432 Q HN 0.541 nan 8.270 nan 0.000 0.428 433 I N 0.559 121.305 120.570 0.295 0.000 2.151 433 I HA -0.373 3.798 4.170 0.003 0.000 0.243 433 I C 2.683 178.955 176.117 0.259 0.000 1.080 433 I CA 1.652 63.129 61.300 0.295 0.000 1.339 433 I CB -0.640 37.547 38.000 0.310 0.000 1.039 433 I HN 0.467 nan 8.210 nan 0.000 0.409 434 H N 1.066 120.233 119.070 0.162 0.000 2.353 434 H HA -0.222 4.335 4.556 0.003 0.000 0.298 434 H C 2.005 177.365 175.328 0.053 0.000 1.103 434 H CA 1.888 57.859 56.048 -0.129 0.000 1.293 434 H CB -0.076 29.466 29.762 -0.366 0.000 1.372 434 H HN 0.388 nan 8.280 nan 0.000 0.501 435 N N 0.183 118.962 118.700 0.132 0.000 2.244 435 N HA -0.114 4.627 4.740 0.003 0.000 0.183 435 N C 0.459 176.006 175.510 0.062 0.000 1.016 435 N CA 1.006 54.127 53.050 0.117 0.000 0.866 435 N CB 0.041 38.597 38.487 0.115 0.000 0.980 435 N HN 0.398 nan 8.380 nan 0.000 0.430 436 D N 0.077 120.492 120.400 0.026 0.000 2.340 436 D HA 0.111 4.753 4.640 0.003 0.000 0.220 436 D C 0.474 176.712 176.300 -0.102 0.000 1.039 436 D CA 0.256 54.251 54.000 -0.009 0.000 0.866 436 D CB 0.338 41.163 40.800 0.041 0.000 0.913 436 D HN 0.296 nan 8.370 nan 0.000 0.523 437 M N 0.174 119.630 119.600 -0.240 0.000 2.371 437 M HA 0.181 4.663 4.480 0.003 0.000 0.301 437 M C 0.410 176.310 176.300 -0.667 0.000 1.173 437 M CA -0.665 54.403 55.300 -0.386 0.000 1.020 437 M CB 1.099 33.477 32.600 -0.370 0.000 1.490 437 M HN -0.309 nan 8.290 nan 0.000 0.485 438 Q N 0.885 120.333 119.800 -0.586 0.000 2.392 438 Q HA 0.122 4.463 4.340 0.003 0.000 0.262 438 Q C -1.518 174.073 176.000 -0.681 0.000 1.003 438 Q CA 0.992 56.423 55.803 -0.620 0.000 0.888 438 Q CB 0.454 28.674 28.738 -0.863 0.000 1.260 438 Q HN 0.445 nan 8.270 nan 0.000 0.435 439 H N 2.016 120.992 119.070 -0.156 0.000 2.529 439 H HA 0.421 4.979 4.556 0.003 0.000 0.348 439 H C -1.847 173.491 175.328 0.016 0.000 1.079 439 H CA -1.917 54.071 56.048 -0.101 0.000 1.198 439 H CB 0.768 30.452 29.762 -0.130 0.000 1.521 439 H HN 0.622 nan 8.280 nan 0.000 0.514 440 P HA 0.274 nan 4.420 nan 0.000 0.271 440 P C -0.885 176.465 177.300 0.083 0.000 1.216 440 P CA -0.508 62.690 63.100 0.162 0.000 0.776 440 P CB 0.989 32.798 31.700 0.182 0.000 0.881 441 A N 1.801 124.665 122.820 0.074 0.000 2.324 441 A HA 0.708 5.030 4.320 0.003 0.000 0.330 441 A C -0.342 177.381 177.584 0.231 0.000 1.165 441 A CA -0.454 51.609 52.037 0.044 0.000 0.813 441 A CB 1.112 20.012 19.000 -0.166 0.000 1.197 441 A HN 0.738 nan 8.150 nan 0.000 0.484 442 A N 1.681 124.675 122.820 0.289 0.000 2.401 442 A HA 0.795 5.117 4.320 0.003 0.000 0.310 442 A C -0.847 176.871 177.584 0.223 0.000 1.075 442 A CA -0.438 51.760 52.037 0.269 0.000 0.746 442 A CB 0.981 20.161 19.000 0.300 0.000 1.277 442 A HN 1.339 nan 8.150 nan 0.000 0.425 443 I N 0.722 121.248 120.570 -0.074 0.000 2.582 443 I HA 0.747 4.918 4.170 0.003 0.000 0.292 443 I C -2.006 173.914 176.117 -0.329 0.000 1.066 443 I CA -0.911 60.281 61.300 -0.180 0.000 1.053 443 I CB 1.602 39.300 38.000 -0.503 0.000 1.241 443 I HN 0.575 nan 8.210 nan 0.000 0.421 444 F N 5.282 125.241 119.950 0.015 0.000 2.507 444 F HA 0.349 4.878 4.527 0.003 0.000 0.328 444 F C -0.508 175.415 175.800 0.206 0.000 1.136 444 F CA -0.658 57.401 58.000 0.097 0.000 0.930 444 F CB 1.502 40.400 39.000 -0.169 0.000 1.166 444 F HN 0.310 nan 8.300 nan 0.000 0.436 445 D N 2.411 123.027 120.400 0.360 0.000 2.454 445 D HA 0.274 4.916 4.640 0.003 0.000 0.225 445 D C 0.904 177.330 176.300 0.210 0.000 1.081 445 D CA -0.165 53.975 54.000 0.234 0.000 0.864 445 D CB 1.540 42.389 40.800 0.081 0.000 1.040 445 D HN 0.718 nan 8.370 nan 0.000 0.517 446 G N 3.039 111.876 108.800 0.062 0.000 3.026 446 G HA2 -0.069 3.892 3.960 0.003 0.000 0.208 446 G HA3 -0.069 3.892 3.960 0.003 0.000 0.208 446 G C 1.145 175.915 174.900 -0.218 0.000 1.169 446 G CA -0.039 44.803 45.100 -0.431 0.000 0.788 446 G HN 0.302 nan 8.290 nan 0.000 0.533 447 R N -0.966 119.497 120.500 -0.061 0.000 2.541 447 R HA 0.194 4.536 4.340 0.003 0.000 0.332 447 R C 0.212 176.508 176.300 -0.007 0.000 0.951 447 R CA -0.527 55.554 56.100 -0.031 0.000 1.136 447 R CB 0.129 30.441 30.300 0.019 0.000 1.449 447 R HN 0.198 nan 8.270 nan 0.000 0.531 448 L N 1.597 122.823 121.223 0.005 0.000 3.601 448 L HA -0.202 4.139 4.340 0.003 0.000 0.469 448 L C 0.900 177.778 176.870 0.014 0.000 1.294 448 L CA 0.825 55.670 54.840 0.008 0.000 0.829 448 L CB -1.848 40.210 42.059 -0.002 0.000 1.628 448 L HN 0.341 nan 8.230 nan 0.000 0.868 449 I N -4.654 115.936 120.570 0.034 0.000 4.312 449 I HA 0.286 4.457 4.170 0.003 0.000 0.324 449 I C 0.885 177.027 176.117 0.040 0.000 1.298 449 I CA -0.160 61.171 61.300 0.051 0.000 1.231 449 I CB 0.246 38.309 38.000 0.104 0.000 1.152 449 I HN 0.066 nan 8.210 nan 0.000 0.421 450 L N 1.753 122.980 121.223 0.006 0.000 2.375 450 L HA 0.425 4.766 4.340 0.003 0.000 0.268 450 L C -0.495 176.331 176.870 -0.073 0.000 1.058 450 L CA -0.598 54.210 54.840 -0.053 0.000 0.803 450 L CB 0.779 42.741 42.059 -0.162 0.000 1.212 450 L HN 0.019 nan 8.230 nan 0.000 0.451 451 D N 0.982 121.329 120.400 -0.088 0.000 2.365 451 D HA 0.050 4.692 4.640 0.003 0.000 0.237 451 D C 0.700 176.935 176.300 -0.108 0.000 1.190 451 D CA -0.134 53.823 54.000 -0.072 0.000 0.867 451 D CB 1.189 41.965 40.800 -0.041 0.000 1.050 451 D HN 0.363 nan 8.370 nan 0.000 0.491 452 Q N 3.293 123.035 119.800 -0.097 0.000 2.079 452 Q HA -0.137 4.204 4.340 0.003 0.000 0.200 452 Q C 1.568 177.507 176.000 -0.102 0.000 0.974 452 Q CA 0.903 56.635 55.803 -0.119 0.000 0.840 452 Q CB -0.096 28.581 28.738 -0.101 0.000 0.898 452 Q HN 0.565 nan 8.270 nan 0.000 0.430 453 K N 0.456 120.814 120.400 -0.070 0.000 2.097 453 K HA -0.084 4.238 4.320 0.003 0.000 0.206 453 K C 1.928 178.502 176.600 -0.043 0.000 1.049 453 K CA 1.090 57.345 56.287 -0.053 0.000 0.933 453 K CB 0.041 32.519 32.500 -0.036 0.000 0.717 453 K HN 0.127 nan 8.250 nan 0.000 0.442 454 A N 1.229 124.024 122.820 -0.041 0.000 1.898 454 A HA -0.111 4.211 4.320 0.003 0.000 0.216 454 A C 2.146 179.722 177.584 -0.013 0.000 1.181 454 A CA 1.096 53.121 52.037 -0.020 0.000 0.620 454 A CB -0.466 18.529 19.000 -0.010 0.000 0.819 454 A HN 0.276 nan 8.150 nan 0.000 0.442 455 L N -1.538 119.646 121.223 -0.064 0.000 2.093 455 L HA -0.112 4.230 4.340 0.003 0.000 0.208 455 L C 2.756 179.660 176.870 0.058 0.000 1.085 455 L CA 1.362 56.181 54.840 -0.035 0.000 0.755 455 L CB -0.367 41.525 42.059 -0.277 0.000 0.904 455 L HN 0.326 nan 8.230 nan 0.000 0.435 456 R N 0.227 120.708 120.500 -0.032 0.000 2.091 456 R HA -0.193 4.149 4.340 0.003 0.000 0.238 456 R C 2.167 178.446 176.300 -0.036 0.000 1.136 456 R CA 1.600 57.674 56.100 -0.043 0.000 0.959 456 R CB -0.041 30.215 30.300 -0.073 0.000 0.856 456 R HN 0.338 nan 8.270 nan 0.000 0.437 457 E N -0.382 119.799 120.200 -0.030 0.000 2.158 457 E HA -0.097 4.254 4.350 0.003 0.000 0.191 457 E C 1.841 178.404 176.600 -0.062 0.000 0.982 457 E CA 0.811 57.188 56.400 -0.038 0.000 0.823 457 E CB 0.056 29.742 29.700 -0.022 0.000 0.766 457 E HN 0.332 nan 8.360 nan 0.000 0.468 458 I N -0.225 120.309 120.570 -0.058 0.000 2.208 458 I HA -0.199 3.973 4.170 0.003 0.000 0.245 458 I C 1.590 177.443 176.117 -0.441 0.000 1.097 458 I CA 1.423 62.621 61.300 -0.169 0.000 1.363 458 I CB -0.040 37.935 38.000 -0.041 0.000 1.051 458 I HN 0.345 nan 8.210 nan 0.000 0.413 459 G N -0.482 108.111 108.800 -0.344 0.000 2.155 459 G HA2 -0.172 3.790 3.960 0.003 0.000 0.130 459 G HA3 -0.172 3.790 3.960 0.003 0.000 0.130 459 G C 0.095 174.881 174.900 -0.189 0.000 1.027 459 G CA -0.798 44.123 45.100 -0.299 0.000 0.705 459 G HN 0.109 nan 8.290 nan 0.000 0.496 460 F N 1.258 121.131 119.950 -0.129 0.000 2.553 460 F HA 0.421 4.949 4.527 0.003 0.000 0.356 460 F C 1.567 177.313 175.800 -0.090 0.000 1.142 460 F CA 0.114 58.116 58.000 0.003 0.000 1.322 460 F CB 0.573 39.539 39.000 -0.056 0.000 1.126 460 F HN -0.091 nan 8.300 nan 0.000 0.599 461 R N 1.557 122.129 120.500 0.120 0.000 2.210 461 R HA 0.237 4.579 4.340 0.003 0.000 0.338 461 R C -0.273 175.777 176.300 -0.417 0.000 1.062 461 R CA -0.201 55.821 56.100 -0.130 0.000 0.902 461 R CB 1.046 31.355 30.300 0.014 0.000 1.050 461 R HN 0.568 nan 8.270 nan 0.000 0.461 462 T N 3.434 117.531 114.554 -0.762 0.000 2.863 462 T HA 0.645 4.997 4.350 0.003 0.000 0.285 462 T C -1.230 172.815 174.700 -1.092 0.000 1.009 462 T CA -0.518 61.148 62.100 -0.723 0.000 0.989 462 T CB 0.551 69.189 68.868 -0.384 0.000 1.004 462 T HN 0.316 nan 8.240 nan 0.000 0.455 463 F N 2.063 121.797 119.950 -0.360 0.000 2.569 463 F HA 0.778 5.306 4.527 0.003 0.000 0.312 463 F C 0.163 175.922 175.800 -0.069 0.000 1.109 463 F CA -0.948 56.920 58.000 -0.221 0.000 0.919 463 F CB 2.238 41.051 39.000 -0.311 0.000 1.211 463 F HN 0.752 nan 8.300 nan 0.000 0.446 464 A N 2.870 125.787 122.820 0.161 0.000 2.414 464 A HA 0.757 5.079 4.320 0.003 0.000 0.306 464 A C -0.711 176.981 177.584 0.180 0.000 1.054 464 A CA -0.783 51.348 52.037 0.157 0.000 0.724 464 A CB 0.961 19.992 19.000 0.053 0.000 1.267 464 A HN 0.776 nan 8.150 nan 0.000 0.418 465 I N 1.866 122.544 120.570 0.179 0.000 2.741 465 I HA 0.215 4.387 4.170 0.003 0.000 0.288 465 I C 1.488 177.646 176.117 0.068 0.000 1.192 465 I CA 2.034 63.401 61.300 0.112 0.000 1.426 465 I CB 0.361 38.365 38.000 0.007 0.000 1.367 465 I HN 1.200 nan 8.210 nan 0.000 0.563 466 G N 3.676 112.518 108.800 0.070 0.000 2.157 466 G HA2 -0.212 3.749 3.960 0.003 0.000 0.248 466 G HA3 -0.212 3.749 3.960 0.003 0.000 0.248 466 G C 0.196 175.129 174.900 0.054 0.000 0.979 466 G CA -0.004 45.131 45.100 0.058 0.000 0.650 466 G HN 0.586 nan 8.290 nan 0.000 0.529 467 T N 0.471 115.062 114.554 0.062 0.000 2.861 467 T HA 0.607 4.958 4.350 0.003 0.000 0.287 467 T C 0.167 174.904 174.700 0.062 0.000 1.003 467 T CA 0.334 62.462 62.100 0.048 0.000 0.977 467 T CB 1.835 70.719 68.868 0.027 0.000 0.996 467 T HN 0.631 nan 8.240 nan 0.000 0.448 468 S N 2.933 118.663 115.700 0.049 0.000 2.533 468 S HA 0.159 4.630 4.470 0.003 0.000 0.282 468 S C -1.313 173.314 174.600 0.045 0.000 1.304 468 S CA -1.268 56.966 58.200 0.056 0.000 1.063 468 S CB 0.423 63.648 63.200 0.042 0.000 0.881 468 S HN 0.384 nan 8.310 nan 0.000 0.493 469 P HA -0.058 nan 4.420 nan 0.000 0.216 469 P C -0.463 176.826 177.300 -0.018 0.000 1.150 469 P CA 1.178 64.307 63.100 0.048 0.000 0.843 469 P CB -0.034 31.775 31.700 0.181 0.000 0.787 470 D N -0.458 119.949 120.400 0.012 0.000 2.256 470 D HA 0.308 4.949 4.640 0.003 0.000 0.240 470 D C -0.038 176.259 176.300 -0.004 0.000 1.062 470 D CA -0.405 53.594 54.000 -0.001 0.000 0.832 470 D CB 1.732 42.542 40.800 0.017 0.000 1.135 470 D HN -0.011 nan 8.370 nan 0.000 0.484 471 Q N 0.000 119.790 119.800 -0.016 0.000 2.315 471 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 471 Q CA 0.000 55.796 55.803 -0.012 0.000 1.022 471 Q CB 0.000 28.727 28.738 -0.019 0.000 1.108 471 Q HN 0.000 nan 8.270 nan 0.000 0.481