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 2wm9_1_A DATA FIRST_RESID 5 DATA SEQUENCE STPELRKTWL DSMARIHVKN GDLSEAAMCY VHVTALVAEY LTRKGVFRQG DATA SEQUENCE CTAFRVITPN IDEEAXXXXX XXXXDVHFNE DVLMELLEQC ADGLWKAERY DATA SEQUENCE ELIADIYKLI IPIYEKRRDF ERLAHLYDTL HRAYSKVTEV MHSGRRLLGT DATA SEQUENCE YFRVAFFGQG FFEDEDGKEY IYKEPKLTPL SEISQRLLKL YSDKFGSENV DATA SEQUENCE KMIQDSGKVN PKDLDSKYAY IQVTHVIPFF DEKELQERKT EFERSHNIRR DATA SEQUENCE FMFEMPFTQT GKRQGGVEEQ CKRRTILTAI HCFPYVKKRI PVMYQHHTDL DATA SEQUENCE NPIEVAIDEM SKKVAELRQL CSSAEVDMIK LQLKLQGSVS VQVNAGPLAY DATA SEQUENCE ARAFLDDXXX XXXXDNKVKL LKEVFRQFVE ACGQALAVNE RLIKEDQLEY DATA SEQUENCE QEEMKANYRE MAKELSEIMH EQL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.578 174.600 -0.036 0.000 1.055 5 S CA 0.000 58.159 58.200 -0.068 0.000 1.107 5 S CB 0.000 63.162 63.200 -0.064 0.000 0.593 6 T N 1.276 115.823 114.554 -0.013 0.000 2.708 6 T HA -0.025 4.325 4.350 -0.001 0.000 0.266 6 T C -0.557 174.157 174.700 0.025 0.000 1.037 6 T CA 2.011 64.114 62.100 0.005 0.000 1.146 6 T CB -1.764 67.111 68.868 0.010 0.000 0.865 6 T HN 0.305 nan 8.240 nan 0.000 0.435 7 P HA -0.043 nan 4.420 nan 0.000 0.215 7 P C 1.888 179.264 177.300 0.126 0.000 1.157 7 P CA 2.210 65.373 63.100 0.105 0.000 0.874 7 P CB -0.458 31.329 31.700 0.145 0.000 0.790 8 E N 0.026 120.230 120.200 0.008 0.000 2.085 8 E HA -0.178 4.171 4.350 -0.001 0.000 0.194 8 E C 2.039 178.668 176.600 0.048 0.000 0.994 8 E CA 1.417 57.814 56.400 -0.005 0.000 0.801 8 E CB -1.646 27.970 29.700 -0.140 0.000 0.743 8 E HN 0.202 nan 8.360 nan 0.000 0.453 9 L N -0.968 120.276 121.223 0.035 0.000 2.072 9 L HA -0.067 4.272 4.340 -0.001 0.000 0.205 9 L C 2.938 179.868 176.870 0.101 0.000 1.079 9 L CA 1.471 56.344 54.840 0.054 0.000 0.752 9 L CB -0.189 41.886 42.059 0.027 0.000 0.906 9 L HN 0.258 nan 8.230 nan 0.000 0.436 10 R N 1.138 121.692 120.500 0.089 0.000 2.083 10 R HA -0.224 4.115 4.340 -0.001 0.000 0.237 10 R C 2.226 178.634 176.300 0.181 0.000 1.137 10 R CA 1.865 58.035 56.100 0.118 0.000 0.951 10 R CB -0.421 29.926 30.300 0.077 0.000 0.851 10 R HN 0.183 nan 8.270 nan 0.000 0.434 11 K N -0.945 119.546 120.400 0.151 0.000 2.063 11 K HA -0.139 4.180 4.320 -0.001 0.000 0.208 11 K C 1.722 178.400 176.600 0.131 0.000 1.048 11 K CA 2.038 58.410 56.287 0.142 0.000 0.928 11 K CB -0.276 32.323 32.500 0.165 0.000 0.713 11 K HN 0.240 nan 8.250 nan 0.000 0.442 12 T N 0.026 114.656 114.554 0.128 0.000 2.746 12 T HA -0.187 4.162 4.350 -0.001 0.000 0.267 12 T C 1.117 175.886 174.700 0.114 0.000 1.039 12 T CA 1.591 63.751 62.100 0.099 0.000 1.142 12 T CB -0.339 68.581 68.868 0.086 0.000 0.866 12 T HN 0.523 nan 8.240 nan 0.000 0.444 13 W N 1.486 122.779 121.300 -0.013 0.000 2.378 13 W HA -0.016 4.643 4.660 -0.001 0.000 0.313 13 W C 1.835 178.326 176.519 -0.047 0.000 1.197 13 W CA 0.860 58.187 57.345 -0.031 0.000 1.304 13 W CB -0.561 28.879 29.460 -0.032 0.000 1.148 13 W HN 0.141 nan 8.180 nan 0.000 0.494 14 L N 0.492 121.846 121.223 0.219 0.000 2.013 14 L HA -0.297 4.043 4.340 -0.001 0.000 0.212 14 L C 2.246 179.058 176.870 -0.098 0.000 1.073 14 L CA 1.857 56.708 54.840 0.018 0.000 0.753 14 L CB -1.013 41.122 42.059 0.127 0.000 0.890 14 L HN -0.039 nan 8.230 nan 0.000 0.432 15 D N -0.915 119.474 120.400 -0.018 0.000 2.144 15 D HA -0.184 4.455 4.640 -0.001 0.000 0.199 15 D C 2.366 178.610 176.300 -0.093 0.000 0.984 15 D CA 1.629 55.627 54.000 -0.005 0.000 0.834 15 D CB -0.111 40.707 40.800 0.029 0.000 0.955 15 D HN 0.211 nan 8.370 nan 0.000 0.465 16 S N -0.312 115.283 115.700 -0.175 0.000 2.355 16 S HA -0.119 4.350 4.470 -0.001 0.000 0.222 16 S C 1.978 176.350 174.600 -0.379 0.000 1.031 16 S CA 0.797 58.851 58.200 -0.243 0.000 0.993 16 S CB -0.098 62.955 63.200 -0.245 0.000 0.859 16 S HN 0.006 nan 8.310 nan 0.000 0.453 17 M N 1.611 120.848 119.600 -0.605 0.000 2.108 17 M HA -0.122 4.357 4.480 -0.001 0.000 0.257 17 M C 2.514 178.516 176.300 -0.496 0.000 1.071 17 M CA 1.850 56.725 55.300 -0.708 0.000 1.093 17 M CB -1.960 30.108 32.600 -0.888 0.000 1.345 17 M HN 0.543 nan 8.290 nan 0.000 0.403 18 A N -0.104 122.556 122.820 -0.266 0.000 1.902 18 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 18 A C 2.313 179.849 177.584 -0.080 0.000 1.181 18 A CA 1.622 53.579 52.037 -0.133 0.000 0.623 18 A CB -0.598 18.332 19.000 -0.117 0.000 0.818 18 A HN 0.467 nan 8.150 nan 0.000 0.443 19 R N -0.571 119.875 120.500 -0.090 0.000 2.083 19 R HA -0.112 4.228 4.340 -0.001 0.000 0.237 19 R C 2.023 178.259 176.300 -0.105 0.000 1.137 19 R CA 1.792 57.855 56.100 -0.061 0.000 0.951 19 R CB -0.568 29.689 30.300 -0.072 0.000 0.851 19 R HN 0.589 nan 8.270 nan 0.000 0.434 20 I N -0.082 120.361 120.570 -0.211 0.000 2.163 20 I HA -0.313 3.856 4.170 -0.001 0.000 0.243 20 I C 2.276 178.269 176.117 -0.206 0.000 1.085 20 I CA 1.290 62.444 61.300 -0.243 0.000 1.347 20 I CB -0.453 37.326 38.000 -0.368 0.000 1.044 20 I HN 0.247 nan 8.210 nan 0.000 0.408 21 H N 0.090 119.082 119.070 -0.130 0.000 2.352 21 H HA -0.111 4.444 4.556 -0.001 0.000 0.299 21 H C 2.521 177.808 175.328 -0.069 0.000 1.097 21 H CA 1.524 57.506 56.048 -0.111 0.000 1.311 21 H CB -0.519 29.153 29.762 -0.151 0.000 1.377 21 H HN 0.186 nan 8.280 nan 0.000 0.504 22 V N 1.600 121.550 119.914 0.060 0.000 2.261 22 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 22 V C 2.380 178.491 176.094 0.028 0.000 1.047 22 V CA 1.758 64.089 62.300 0.052 0.000 1.015 22 V CB -0.306 31.559 31.823 0.070 0.000 0.642 22 V HN 0.408 nan 8.190 nan 0.000 0.446 23 K N 0.224 120.625 120.400 0.001 0.000 2.103 23 K HA -0.187 4.132 4.320 -0.001 0.000 0.207 23 K C 1.744 178.342 176.600 -0.003 0.000 1.048 23 K CA 1.564 57.846 56.287 -0.008 0.000 0.930 23 K CB -0.373 32.109 32.500 -0.030 0.000 0.716 23 K HN 0.432 nan 8.250 nan 0.000 0.444 24 N N -0.252 118.449 118.700 0.001 0.000 2.463 24 N HA -0.028 4.711 4.740 -0.001 0.000 0.181 24 N C 1.012 176.535 175.510 0.022 0.000 1.078 24 N CA 1.051 54.107 53.050 0.010 0.000 0.902 24 N CB 0.702 39.201 38.487 0.020 0.000 0.970 24 N HN 0.432 nan 8.380 nan 0.000 0.451 25 G N 0.809 109.626 108.800 0.028 0.000 2.143 25 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.249 25 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.249 25 G C -0.601 174.311 174.900 0.020 0.000 0.981 25 G CA -0.080 45.035 45.100 0.025 0.000 0.665 25 G HN 0.261 nan 8.290 nan 0.000 0.528 26 D N 0.880 121.297 120.400 0.029 0.000 2.563 26 D HA 0.355 4.995 4.640 -0.001 0.000 0.222 26 D C 1.911 178.183 176.300 -0.046 0.000 1.145 26 D CA -0.277 53.717 54.000 -0.010 0.000 1.001 26 D CB 0.280 41.078 40.800 -0.005 0.000 1.049 26 D HN 0.356 nan 8.370 nan 0.000 0.515 27 L N -0.130 121.078 121.223 -0.025 0.000 2.313 27 L HA -0.071 4.268 4.340 -0.001 0.000 0.214 27 L C 2.267 179.106 176.870 -0.051 0.000 1.119 27 L CA 0.440 55.269 54.840 -0.017 0.000 0.809 27 L CB -0.088 41.981 42.059 0.017 0.000 0.933 27 L HN 0.078 nan 8.230 nan 0.000 0.449 28 S N -0.008 115.661 115.700 -0.052 0.000 2.368 28 S HA -0.142 4.327 4.470 -0.001 0.000 0.224 28 S C 1.832 176.368 174.600 -0.106 0.000 1.029 28 S CA 1.185 59.368 58.200 -0.029 0.000 0.988 28 S CB -0.017 63.210 63.200 0.046 0.000 0.838 28 S HN 0.391 nan 8.310 nan 0.000 0.462 29 E N 1.870 121.927 120.200 -0.239 0.000 2.077 29 E HA 0.018 4.368 4.350 -0.001 0.000 0.193 29 E C 2.207 178.534 176.600 -0.455 0.000 0.989 29 E CA 1.067 57.180 56.400 -0.479 0.000 0.800 29 E CB -0.558 28.519 29.700 -1.038 0.000 0.746 29 E HN 0.453 nan 8.360 nan 0.000 0.452 30 A N 1.139 123.750 122.820 -0.348 0.000 1.883 30 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 30 A C 2.389 179.486 177.584 -0.812 0.000 1.186 30 A CA 2.209 53.981 52.037 -0.442 0.000 0.624 30 A CB -0.973 17.869 19.000 -0.264 0.000 0.822 30 A HN 0.296 nan 8.150 nan 0.000 0.444 31 A N -1.180 121.391 122.820 -0.416 0.000 1.902 31 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 31 A C 2.155 179.663 177.584 -0.128 0.000 1.181 31 A CA 1.941 53.853 52.037 -0.208 0.000 0.623 31 A CB -0.456 18.564 19.000 0.032 0.000 0.818 31 A HN 0.429 nan 8.150 nan 0.000 0.443 32 M N -0.593 118.943 119.600 -0.107 0.000 2.159 32 M HA -0.134 4.345 4.480 -0.001 0.000 0.263 32 M C 2.373 178.650 176.300 -0.039 0.000 1.063 32 M CA 1.026 56.333 55.300 0.012 0.000 1.110 32 M CB -1.871 30.724 32.600 -0.010 0.000 1.374 32 M HN 0.551 nan 8.290 nan 0.000 0.411 33 C N -0.189 118.963 119.300 -0.246 0.000 2.413 33 C HA -0.200 4.260 4.460 -0.001 0.000 0.276 33 C C 2.704 177.664 174.990 -0.050 0.000 1.248 33 C CA 0.580 59.471 59.018 -0.211 0.000 1.742 33 C CB -1.284 26.291 27.740 -0.277 0.000 2.017 33 C HN 0.448 nan 8.230 nan 0.000 0.481 34 Y N 0.744 121.054 120.300 0.017 0.000 2.181 34 Y HA -0.121 4.428 4.550 -0.001 0.000 0.288 34 Y C 2.547 178.442 175.900 -0.009 0.000 1.146 34 Y CA 0.879 58.981 58.100 0.003 0.000 1.164 34 Y CB -1.558 36.908 38.460 0.010 0.000 0.982 34 Y HN 0.147 nan 8.280 nan 0.000 0.515 35 V N -0.091 119.923 119.914 0.167 0.000 2.295 35 V HA -0.302 3.817 4.120 -0.001 0.000 0.246 35 V C 2.319 178.363 176.094 -0.084 0.000 1.049 35 V CA 2.105 64.449 62.300 0.072 0.000 1.024 35 V CB -0.723 31.196 31.823 0.160 0.000 0.648 35 V HN 0.523 nan 8.190 nan 0.000 0.447 36 H N -0.631 118.380 119.070 -0.098 0.000 2.352 36 H HA -0.130 4.425 4.556 -0.001 0.000 0.299 36 H C 2.421 177.660 175.328 -0.148 0.000 1.097 36 H CA 1.875 57.852 56.048 -0.118 0.000 1.311 36 H CB -0.057 29.669 29.762 -0.060 0.000 1.377 36 H HN 0.301 nan 8.280 nan 0.000 0.504 37 V N 0.693 120.621 119.914 0.023 0.000 2.343 37 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 37 V C 2.440 178.414 176.094 -0.201 0.000 1.051 37 V CA 2.178 64.449 62.300 -0.050 0.000 1.036 37 V CB -0.636 31.192 31.823 0.010 0.000 0.654 37 V HN 0.506 nan 8.190 nan 0.000 0.451 38 T N 0.322 114.733 114.554 -0.239 0.000 2.777 38 T HA -0.130 4.219 4.350 -0.001 0.000 0.266 38 T C 2.060 176.378 174.700 -0.637 0.000 1.040 38 T CA 1.486 63.370 62.100 -0.361 0.000 1.141 38 T CB -0.431 68.295 68.868 -0.237 0.000 0.868 38 T HN 0.564 nan 8.240 nan 0.000 0.444 39 A N 1.998 124.277 122.820 -0.901 0.000 1.933 39 A HA -0.032 4.288 4.320 -0.001 0.000 0.218 39 A C 2.286 179.636 177.584 -0.389 0.000 1.175 39 A CA 1.710 53.163 52.037 -0.973 0.000 0.628 39 A CB -0.698 17.824 19.000 -0.797 0.000 0.814 39 A HN 0.555 nan 8.150 nan 0.000 0.444 40 L N -1.522 119.536 121.223 -0.275 0.000 2.156 40 L HA 0.021 4.360 4.340 -0.001 0.000 0.208 40 L C 1.992 178.763 176.870 -0.166 0.000 1.095 40 L CA 1.692 56.450 54.840 -0.137 0.000 0.770 40 L CB -1.191 40.833 42.059 -0.058 0.000 0.914 40 L HN 0.015 nan 8.230 nan 0.000 0.439 41 V N 0.853 120.549 119.914 -0.364 0.000 2.427 41 V HA -0.161 3.959 4.120 -0.001 0.000 0.248 41 V C 3.020 178.990 176.094 -0.206 0.000 1.051 41 V CA 1.549 63.540 62.300 -0.515 0.000 1.048 41 V CB -1.301 30.075 31.823 -0.746 0.000 0.666 41 V HN 0.642 nan 8.190 nan 0.000 0.456 42 A N 0.044 122.742 122.820 -0.203 0.000 1.873 42 A HA -0.226 4.093 4.320 -0.001 0.000 0.215 42 A C 2.181 179.833 177.584 0.113 0.000 1.186 42 A CA 1.910 53.894 52.037 -0.088 0.000 0.616 42 A CB -0.502 18.532 19.000 0.058 0.000 0.823 42 A HN 0.523 nan 8.150 nan 0.000 0.442 43 E N -0.723 119.534 120.200 0.094 0.000 2.033 43 E HA -0.260 4.090 4.350 -0.001 0.000 0.199 43 E C 1.782 178.472 176.600 0.150 0.000 1.011 43 E CA 2.061 58.537 56.400 0.126 0.000 0.815 43 E CB -0.646 29.110 29.700 0.093 0.000 0.755 43 E HN 0.648 nan 8.360 nan 0.000 0.451 44 Y N 0.630 120.960 120.300 0.050 0.000 2.053 44 Y HA -0.237 4.312 4.550 -0.001 0.000 0.277 44 Y C 2.054 178.017 175.900 0.104 0.000 1.159 44 Y CA 2.302 60.461 58.100 0.099 0.000 1.125 44 Y CB -0.455 38.113 38.460 0.180 0.000 0.969 44 Y HN 0.087 nan 8.280 nan 0.000 0.492 45 L N -0.837 120.471 121.223 0.142 0.000 2.131 45 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 45 L C 2.295 179.215 176.870 0.084 0.000 1.092 45 L CA 1.742 56.627 54.840 0.075 0.000 0.759 45 L CB -0.947 41.198 42.059 0.143 0.000 0.903 45 L HN 0.269 nan 8.230 nan 0.000 0.435 46 T N -0.705 113.941 114.554 0.154 0.000 2.746 46 T HA -0.162 4.187 4.350 -0.001 0.000 0.267 46 T C 2.018 176.738 174.700 0.033 0.000 1.039 46 T CA 1.126 63.307 62.100 0.136 0.000 1.142 46 T CB -0.169 68.801 68.868 0.170 0.000 0.866 46 T HN 0.307 nan 8.240 nan 0.000 0.444 47 R N 0.931 121.424 120.500 -0.011 0.000 2.096 47 R HA -0.013 4.326 4.340 -0.001 0.000 0.235 47 R C 2.151 178.392 176.300 -0.098 0.000 1.127 47 R CA 0.853 56.921 56.100 -0.053 0.000 0.968 47 R CB -0.087 30.175 30.300 -0.063 0.000 0.861 47 R HN 0.170 nan 8.270 nan 0.000 0.440 48 K N -0.418 119.878 120.400 -0.172 0.000 2.504 48 K HA 0.033 4.352 4.320 -0.001 0.000 0.195 48 K C 1.170 177.737 176.600 -0.056 0.000 1.036 48 K CA 0.895 57.091 56.287 -0.151 0.000 0.984 48 K CB -0.079 32.286 32.500 -0.225 0.000 0.788 48 K HN 0.469 nan 8.250 nan 0.000 0.488 49 G N 0.511 109.296 108.800 -0.024 0.000 2.148 49 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.254 49 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.254 49 G C 0.854 175.769 174.900 0.026 0.000 0.981 49 G CA 0.449 45.550 45.100 0.001 0.000 0.670 49 G HN 0.192 nan 8.290 nan 0.000 0.528 50 V N -1.158 118.790 119.914 0.055 0.000 3.052 50 V HA 0.480 4.599 4.120 -0.001 0.000 0.254 50 V C 0.744 176.950 176.094 0.186 0.000 1.100 50 V CA 1.687 64.046 62.300 0.099 0.000 1.112 50 V CB -0.080 31.806 31.823 0.105 0.000 0.738 50 V HN 0.474 nan 8.190 nan 0.000 0.469 51 F N 0.628 120.582 119.950 0.006 0.000 2.588 51 F HA 0.531 5.057 4.527 -0.001 0.000 0.310 51 F C 0.788 176.594 175.800 0.010 0.000 1.082 51 F CA -1.338 56.670 58.000 0.012 0.000 0.929 51 F CB 1.230 40.249 39.000 0.031 0.000 1.254 51 F HN -0.109 nan 8.300 nan 0.000 0.455 52 R N 2.331 122.439 120.500 -0.653 0.000 2.310 52 R HA 0.146 4.486 4.340 -0.001 0.000 0.202 52 R C -0.973 175.181 176.300 -0.243 0.000 0.933 52 R CA 0.669 56.545 56.100 -0.373 0.000 1.054 52 R CB -0.884 29.216 30.300 -0.334 0.000 0.985 52 R HN 0.733 nan 8.270 nan 0.000 0.489 53 Q N -1.157 118.541 119.800 -0.170 0.000 2.479 53 Q HA 0.578 4.917 4.340 -0.001 0.000 0.276 53 Q C -1.085 175.152 176.000 0.394 0.000 0.989 53 Q CA -0.525 55.340 55.803 0.104 0.000 0.864 53 Q CB 1.366 30.116 28.738 0.020 0.000 1.444 53 Q HN 0.017 nan 8.270 nan 0.000 0.388 54 G N 0.092 109.067 108.800 0.292 0.000 2.940 54 G HA2 0.368 4.327 3.960 -0.001 0.000 0.164 54 G HA3 0.368 4.327 3.960 -0.001 0.000 0.164 54 G C 0.728 175.843 174.900 0.360 0.000 1.326 54 G CA 0.046 45.337 45.100 0.318 0.000 1.020 54 G HN 0.842 nan 8.290 nan 0.000 0.586 55 C N 0.140 119.581 119.300 0.235 0.000 2.249 55 C HA -0.288 4.171 4.460 -0.001 0.000 0.245 55 C C 3.416 178.579 174.990 0.288 0.000 1.051 55 C CA 3.027 62.165 59.018 0.199 0.000 1.843 55 C CB -1.531 26.264 27.740 0.091 0.000 1.906 55 C HN 0.909 nan 8.230 nan 0.000 0.399 56 T N -0.256 114.408 114.554 0.184 0.000 2.897 56 T HA -0.079 4.270 4.350 -0.001 0.000 0.271 56 T C 1.570 176.342 174.700 0.120 0.000 1.084 56 T CA 1.692 63.872 62.100 0.133 0.000 1.123 56 T CB -0.462 68.456 68.868 0.083 0.000 0.865 56 T HN 0.738 nan 8.240 nan 0.000 0.496 57 A N 0.354 123.250 122.820 0.126 0.000 2.121 57 A HA 0.260 4.579 4.320 -0.001 0.000 0.218 57 A C 1.562 179.009 177.584 -0.228 0.000 1.154 57 A CA 0.569 52.556 52.037 -0.084 0.000 0.679 57 A CB -0.840 18.053 19.000 -0.179 0.000 0.795 57 A HN 0.615 nan 8.150 nan 0.000 0.458 58 F N -1.758 118.221 119.950 0.048 0.000 2.678 58 F HA 0.279 4.806 4.527 -0.001 0.000 0.305 58 F C 1.922 177.745 175.800 0.039 0.000 1.090 58 F CA -0.065 57.958 58.000 0.038 0.000 1.272 58 F CB 0.140 39.142 39.000 0.003 0.000 1.060 58 F HN 0.082 nan 8.300 nan 0.000 0.576 59 R N 0.932 121.537 120.500 0.175 0.000 2.120 59 R HA -0.128 4.211 4.340 -0.001 0.000 0.234 59 R C 2.261 178.634 176.300 0.122 0.000 1.123 59 R CA 1.613 57.788 56.100 0.126 0.000 0.975 59 R CB -0.233 30.123 30.300 0.093 0.000 0.866 59 R HN 0.319 nan 8.270 nan 0.000 0.446 60 V N -1.655 118.322 119.914 0.107 0.000 2.427 60 V HA -0.168 3.952 4.120 -0.001 0.000 0.248 60 V C 1.992 178.193 176.094 0.178 0.000 1.051 60 V CA 1.586 63.956 62.300 0.116 0.000 1.048 60 V CB -0.544 31.327 31.823 0.080 0.000 0.666 60 V HN 0.224 nan 8.190 nan 0.000 0.456 61 I N 0.438 121.124 120.570 0.193 0.000 2.202 61 I HA -0.035 4.135 4.170 -0.001 0.000 0.242 61 I C 1.334 177.659 176.117 0.346 0.000 1.091 61 I CA 1.999 63.463 61.300 0.273 0.000 1.368 61 I CB -0.067 38.084 38.000 0.252 0.000 1.058 61 I HN 0.491 nan 8.210 nan 0.000 0.410 62 T N -0.220 114.474 114.554 0.234 0.000 3.237 62 T HA 0.285 4.634 4.350 -0.001 0.000 0.319 62 T C -2.313 172.459 174.700 0.119 0.000 1.037 62 T CA -1.539 60.666 62.100 0.175 0.000 1.048 62 T CB 1.590 70.580 68.868 0.203 0.000 1.081 62 T HN -0.235 nan 8.240 nan 0.000 0.455 63 P HA -0.041 nan 4.420 nan 0.000 0.221 63 P C 1.145 178.493 177.300 0.080 0.000 1.145 63 P CA 0.775 63.922 63.100 0.077 0.000 0.795 63 P CB 0.123 31.859 31.700 0.061 0.000 0.775 64 N N -0.613 118.151 118.700 0.106 0.000 2.573 64 N HA -0.097 4.642 4.740 -0.001 0.000 0.187 64 N C 1.443 177.012 175.510 0.098 0.000 1.107 64 N CA 0.405 53.541 53.050 0.143 0.000 0.918 64 N CB -0.720 37.922 38.487 0.258 0.000 0.966 64 N HN 0.155 nan 8.380 nan 0.000 0.448 65 I N 1.767 122.314 120.570 -0.037 0.000 2.530 65 I HA -0.211 3.959 4.170 -0.001 0.000 0.257 65 I C 1.077 177.156 176.117 -0.063 0.000 1.179 65 I CA 1.055 62.230 61.300 -0.208 0.000 1.440 65 I CB -0.288 37.645 38.000 -0.112 0.000 1.087 65 I HN -0.047 nan 8.210 nan 0.000 0.440 66 D N 0.098 120.512 120.400 0.022 0.000 2.221 66 D HA -0.250 4.390 4.640 -0.001 0.000 0.204 66 D C 2.064 178.399 176.300 0.059 0.000 0.982 66 D CA 0.959 54.987 54.000 0.046 0.000 0.857 66 D CB -0.215 40.621 40.800 0.060 0.000 0.934 66 D HN 0.499 nan 8.370 nan 0.000 0.475 67 E N 0.529 120.782 120.200 0.087 0.000 2.209 67 E HA -0.187 4.163 4.350 -0.001 0.000 0.196 67 E C 0.904 177.553 176.600 0.082 0.000 0.993 67 E CA 0.819 57.284 56.400 0.108 0.000 0.819 67 E CB 0.216 30.011 29.700 0.158 0.000 0.745 67 E HN 0.214 nan 8.360 nan 0.000 0.477 68 E N 0.286 120.521 120.200 0.057 0.000 2.502 68 E HA 0.082 4.431 4.350 -0.001 0.000 0.194 68 E C 0.692 177.312 176.600 0.034 0.000 1.062 68 E CA 0.387 56.810 56.400 0.039 0.000 0.867 68 E CB -0.086 29.610 29.700 -0.005 0.000 0.888 68 E HN 0.281 nan 8.360 nan 0.000 0.510 80 V N -1.033 118.856 119.914 -0.041 0.000 3.596 80 V HA 0.493 4.612 4.120 -0.001 0.000 0.289 80 V C 2.025 178.124 176.094 0.008 0.000 1.336 80 V CA 2.555 64.874 62.300 0.031 0.000 1.137 80 V CB -1.870 29.970 31.823 0.028 0.000 0.966 80 V HN 1.395 nan 8.190 nan 0.000 0.428 81 H N -1.365 117.651 119.070 -0.091 0.000 2.470 81 H HA 0.316 4.871 4.556 -0.001 0.000 0.289 81 H C 0.590 176.013 175.328 0.158 0.000 1.033 81 H CA 0.916 56.919 56.048 -0.076 0.000 1.331 81 H CB -0.078 29.525 29.762 -0.265 0.000 1.414 81 H HN 0.483 nan 8.280 nan 0.000 0.545 82 F N 1.718 121.627 119.950 -0.068 0.000 2.411 82 F HA 0.488 5.014 4.527 -0.001 0.000 0.352 82 F C -0.068 175.783 175.800 0.085 0.000 1.123 82 F CA -1.604 56.375 58.000 -0.034 0.000 1.044 82 F CB 1.059 39.957 39.000 -0.170 0.000 1.135 82 F HN 0.730 nan 8.300 nan 0.000 0.461 83 N N -0.474 118.371 118.700 0.242 0.000 3.364 83 N HA 0.178 4.918 4.740 -0.001 0.000 0.294 83 N C 0.355 175.916 175.510 0.085 0.000 1.562 83 N CA -0.818 52.331 53.050 0.165 0.000 0.862 83 N CB 0.819 39.383 38.487 0.129 0.000 1.691 83 N HN 0.342 nan 8.380 nan 0.000 0.572 84 E N -0.700 119.544 120.200 0.073 0.000 2.077 84 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 84 E C 0.161 176.770 176.600 0.015 0.000 0.989 84 E CA 1.634 58.060 56.400 0.043 0.000 0.800 84 E CB -0.151 29.589 29.700 0.067 0.000 0.746 84 E HN 0.521 nan 8.360 nan 0.000 0.452 85 D N -0.099 120.321 120.400 0.033 0.000 2.123 85 D HA -0.150 4.489 4.640 -0.001 0.000 0.196 85 D C 2.030 178.338 176.300 0.014 0.000 0.992 85 D CA 0.959 54.977 54.000 0.030 0.000 0.833 85 D CB -0.214 40.610 40.800 0.040 0.000 0.954 85 D HN 0.099 nan 8.370 nan 0.000 0.455 86 V N 0.984 120.908 119.914 0.017 0.000 2.295 86 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 86 V C 2.474 178.529 176.094 -0.064 0.000 1.049 86 V CA 1.044 63.343 62.300 -0.001 0.000 1.024 86 V CB -0.476 31.374 31.823 0.045 0.000 0.648 86 V HN 0.144 nan 8.190 nan 0.000 0.447 87 L N -0.470 120.691 121.223 -0.103 0.000 2.042 87 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 87 L C 2.292 179.083 176.870 -0.131 0.000 1.076 87 L CA 2.078 56.808 54.840 -0.183 0.000 0.749 87 L CB -0.549 41.339 42.059 -0.285 0.000 0.893 87 L HN 0.239 nan 8.230 nan 0.000 0.432 88 M N -1.054 118.496 119.600 -0.083 0.000 2.086 88 M HA -0.216 4.263 4.480 -0.001 0.000 0.261 88 M C 2.184 178.486 176.300 0.004 0.000 1.067 88 M CA 1.993 57.263 55.300 -0.050 0.000 1.116 88 M CB -0.368 32.215 32.600 -0.029 0.000 1.348 88 M HN 0.254 nan 8.290 nan 0.000 0.407 89 E N 0.862 121.063 120.200 0.001 0.000 2.106 89 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 89 E C 1.732 178.314 176.600 -0.030 0.000 0.984 89 E CA 1.300 57.702 56.400 0.004 0.000 0.806 89 E CB -0.350 29.347 29.700 -0.004 0.000 0.750 89 E HN 0.486 nan 8.360 nan 0.000 0.458 90 L N -0.193 120.995 121.223 -0.058 0.000 2.093 90 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 90 L C 2.483 179.322 176.870 -0.051 0.000 1.085 90 L CA 0.776 55.570 54.840 -0.078 0.000 0.755 90 L CB -0.406 41.585 42.059 -0.112 0.000 0.904 90 L HN 0.187 nan 8.230 nan 0.000 0.435 91 L N -0.664 120.540 121.223 -0.030 0.000 2.017 91 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 91 L C 2.790 179.648 176.870 -0.020 0.000 1.073 91 L CA 1.101 55.940 54.840 -0.002 0.000 0.745 91 L CB -0.555 41.512 42.059 0.014 0.000 0.894 91 L HN 0.249 nan 8.230 nan 0.000 0.432 92 E N 0.079 120.306 120.200 0.045 0.000 2.085 92 E HA -0.269 4.080 4.350 -0.001 0.000 0.194 92 E C 2.185 178.786 176.600 0.003 0.000 0.994 92 E CA 1.346 57.804 56.400 0.096 0.000 0.801 92 E CB -0.243 29.552 29.700 0.159 0.000 0.743 92 E HN 0.588 nan 8.360 nan 0.000 0.453 93 Q N -0.294 119.469 119.800 -0.062 0.000 2.084 93 Q HA -0.137 4.202 4.340 -0.001 0.000 0.202 93 Q C 2.486 178.404 176.000 -0.136 0.000 0.978 93 Q CA 1.542 57.242 55.803 -0.173 0.000 0.844 93 Q CB -0.199 28.354 28.738 -0.308 0.000 0.898 93 Q HN 0.314 nan 8.270 nan 0.000 0.426 94 C N 0.182 119.459 119.300 -0.039 0.000 2.429 94 C HA -0.135 4.324 4.460 -0.001 0.000 0.277 94 C C 2.853 177.864 174.990 0.035 0.000 1.262 94 C CA 0.690 59.756 59.018 0.081 0.000 1.733 94 C CB -1.250 26.548 27.740 0.096 0.000 2.010 94 C HN 0.626 nan 8.230 nan 0.000 0.483 95 A N 1.127 123.888 122.820 -0.100 0.000 1.865 95 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 95 A C 1.817 179.434 177.584 0.055 0.000 1.191 95 A CA 2.254 54.190 52.037 -0.169 0.000 0.623 95 A CB -0.660 17.981 19.000 -0.597 0.000 0.826 95 A HN 0.562 nan 8.150 nan 0.000 0.444 96 D N -0.432 120.014 120.400 0.077 0.000 2.144 96 D HA -0.071 4.568 4.640 -0.001 0.000 0.200 96 D C 2.074 178.505 176.300 0.218 0.000 0.978 96 D CA 1.368 55.460 54.000 0.153 0.000 0.833 96 D CB -0.763 40.089 40.800 0.086 0.000 0.961 96 D HN 0.452 nan 8.370 nan 0.000 0.470 97 G N 1.040 109.953 108.800 0.189 0.000 2.440 97 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 97 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 97 G C 1.788 176.823 174.900 0.225 0.000 1.154 97 G CA 0.357 45.651 45.100 0.324 0.000 0.767 97 G HN 0.253 nan 8.290 nan 0.000 0.552 98 L N -0.804 120.522 121.223 0.172 0.000 2.156 98 L HA 0.020 4.360 4.340 -0.001 0.000 0.208 98 L C 2.624 179.503 176.870 0.015 0.000 1.095 98 L CA 0.573 55.458 54.840 0.076 0.000 0.770 98 L CB -0.351 41.740 42.059 0.053 0.000 0.914 98 L HN 0.451 nan 8.230 nan 0.000 0.439 99 W N 1.961 123.248 121.300 -0.022 0.000 2.333 99 W HA -0.235 4.425 4.660 -0.001 0.000 0.316 99 W C 2.153 178.659 176.519 -0.022 0.000 1.215 99 W CA 1.664 59.016 57.345 0.012 0.000 1.278 99 W CB -0.138 29.387 29.460 0.107 0.000 1.154 99 W HN 0.090 nan 8.180 nan 0.000 0.486 100 K N 0.170 120.692 120.400 0.203 0.000 2.147 100 K HA -0.100 4.220 4.320 -0.001 0.000 0.205 100 K C 2.085 178.649 176.600 -0.059 0.000 1.049 100 K CA 1.340 57.692 56.287 0.109 0.000 0.936 100 K CB -0.456 32.164 32.500 0.200 0.000 0.722 100 K HN 0.090 nan 8.250 nan 0.000 0.446 101 A N 1.135 123.910 122.820 -0.076 0.000 2.235 101 A HA -0.083 4.236 4.320 -0.001 0.000 0.208 101 A C 0.072 177.508 177.584 -0.248 0.000 1.172 101 A CA 0.608 52.583 52.037 -0.104 0.000 0.786 101 A CB -0.359 18.618 19.000 -0.038 0.000 0.804 101 A HN 0.425 nan 8.150 nan 0.000 0.479 102 E N -1.562 118.318 120.200 -0.533 0.000 2.791 102 E HA -0.222 4.127 4.350 -0.001 0.000 0.271 102 E C -0.090 175.927 176.600 -0.972 0.000 1.044 102 E CA 0.660 56.444 56.400 -1.027 0.000 0.814 102 E CB -1.416 27.986 29.700 -0.497 0.000 1.400 102 E HN 0.706 nan 8.360 nan 0.000 0.423 103 R N 0.583 120.705 120.500 -0.629 0.000 4.231 103 R HA 0.147 4.486 4.340 -0.001 0.000 0.250 103 R C 0.299 176.293 176.300 -0.510 0.000 1.600 103 R CA -0.244 55.634 56.100 -0.370 0.000 1.523 103 R CB 0.012 30.306 30.300 -0.009 0.000 1.422 103 R HN 0.212 nan 8.270 nan 0.000 0.759 104 Y N 0.620 120.684 120.300 -0.393 0.000 2.165 104 Y HA -0.240 4.310 4.550 -0.001 0.000 0.286 104 Y C 1.777 177.398 175.900 -0.466 0.000 1.155 104 Y CA 1.171 59.039 58.100 -0.386 0.000 1.164 104 Y CB -0.112 38.089 38.460 -0.432 0.000 0.978 104 Y HN 0.251 nan 8.280 nan 0.000 0.513 105 E N 0.159 120.050 120.200 -0.515 0.000 2.333 105 E HA -0.147 4.203 4.350 -0.001 0.000 0.200 105 E C 1.529 177.987 176.600 -0.236 0.000 1.010 105 E CA 1.066 57.187 56.400 -0.466 0.000 0.841 105 E CB -0.408 28.867 29.700 -0.707 0.000 0.757 105 E HN 0.514 nan 8.360 nan 0.000 0.508 106 L N -0.393 120.702 121.223 -0.213 0.000 2.607 106 L HA 0.194 4.533 4.340 -0.001 0.000 0.228 106 L C 1.694 178.558 176.870 -0.009 0.000 1.123 106 L CA -0.091 54.711 54.840 -0.064 0.000 0.890 106 L CB -0.019 42.008 42.059 -0.054 0.000 1.103 106 L HN 0.103 nan 8.230 nan 0.000 0.468 107 I N 0.820 121.382 120.570 -0.014 0.000 2.226 107 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 107 I C 2.831 178.992 176.117 0.074 0.000 1.100 107 I CA 1.286 62.596 61.300 0.018 0.000 1.374 107 I CB -0.358 37.699 38.000 0.096 0.000 1.057 107 I HN 0.262 nan 8.210 nan 0.000 0.413 108 A N 0.551 123.472 122.820 0.169 0.000 1.933 108 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 108 A C 1.955 179.631 177.584 0.153 0.000 1.175 108 A CA 1.935 54.117 52.037 0.242 0.000 0.628 108 A CB -0.571 18.613 19.000 0.307 0.000 0.814 108 A HN 0.363 nan 8.150 nan 0.000 0.444 109 D N 0.124 120.581 120.400 0.095 0.000 2.149 109 D HA -0.149 4.490 4.640 -0.001 0.000 0.198 109 D C 1.873 178.172 176.300 -0.001 0.000 0.990 109 D CA 1.126 55.151 54.000 0.043 0.000 0.839 109 D CB -0.230 40.593 40.800 0.039 0.000 0.948 109 D HN 0.355 nan 8.370 nan 0.000 0.460 110 I N 0.174 120.740 120.570 -0.008 0.000 2.202 110 I HA -0.244 3.926 4.170 -0.001 0.000 0.242 110 I C 2.258 178.377 176.117 0.002 0.000 1.091 110 I CA 1.060 62.332 61.300 -0.047 0.000 1.368 110 I CB -1.077 36.835 38.000 -0.147 0.000 1.058 110 I HN 0.022 nan 8.210 nan 0.000 0.410 111 Y N 1.595 121.926 120.300 0.053 0.000 2.373 111 Y HA -0.118 4.431 4.550 -0.001 0.000 0.293 111 Y C 2.430 178.342 175.900 0.020 0.000 1.129 111 Y CA 0.748 58.868 58.100 0.034 0.000 1.226 111 Y CB -0.674 37.800 38.460 0.023 0.000 1.000 111 Y HN 0.181 nan 8.280 nan 0.000 0.549 112 K N -0.061 120.448 120.400 0.182 0.000 2.218 112 K HA -0.178 4.141 4.320 -0.001 0.000 0.205 112 K C 1.667 178.311 176.600 0.074 0.000 1.046 112 K CA 1.313 57.664 56.287 0.108 0.000 0.933 112 K CB -0.345 32.197 32.500 0.070 0.000 0.728 112 K HN 0.331 nan 8.250 nan 0.000 0.454 113 L N -0.063 121.209 121.223 0.082 0.000 2.418 113 L HA 0.028 4.367 4.340 -0.001 0.000 0.218 113 L C 2.137 179.097 176.870 0.151 0.000 1.125 113 L CA 0.529 55.442 54.840 0.122 0.000 0.835 113 L CB 0.018 42.169 42.059 0.153 0.000 0.953 113 L HN 0.173 nan 8.230 nan 0.000 0.454 114 I N -0.956 119.664 120.570 0.083 0.000 4.032 114 I HA -0.035 4.134 4.170 -0.001 0.000 0.313 114 I C 2.193 178.218 176.117 -0.153 0.000 1.272 114 I CA 0.282 61.537 61.300 -0.075 0.000 1.307 114 I CB 0.498 38.420 38.000 -0.129 0.000 1.155 114 I HN 0.050 nan 8.210 nan 0.000 0.431 115 I N 2.577 123.147 120.570 0.000 0.000 2.113 115 I HA -0.271 3.898 4.170 -0.001 0.000 0.242 115 I C -0.687 175.463 176.117 0.054 0.000 1.057 115 I CA 2.015 63.343 61.300 0.046 0.000 1.314 115 I CB -1.625 36.417 38.000 0.070 0.000 1.022 115 I HN 0.228 nan 8.210 nan 0.000 0.408 116 P HA -0.107 nan 4.420 nan 0.000 0.220 116 P C 1.753 179.056 177.300 0.005 0.000 1.148 116 P CA 1.438 64.551 63.100 0.022 0.000 0.803 116 P CB -0.010 31.686 31.700 -0.007 0.000 0.782 117 I N -2.248 118.297 120.570 -0.041 0.000 2.193 117 I HA -0.252 3.917 4.170 -0.001 0.000 0.240 117 I C 2.195 178.304 176.117 -0.013 0.000 1.084 117 I CA 1.403 62.668 61.300 -0.059 0.000 1.365 117 I CB -0.792 37.136 38.000 -0.120 0.000 1.064 117 I HN -0.103 nan 8.210 nan 0.000 0.410 118 Y N 1.416 121.714 120.300 -0.003 0.000 2.207 118 Y HA -0.239 4.310 4.550 -0.001 0.000 0.287 118 Y C 2.527 178.372 175.900 -0.093 0.000 1.156 118 Y CA 1.024 59.091 58.100 -0.056 0.000 1.182 118 Y CB -0.942 37.483 38.460 -0.059 0.000 0.979 118 Y HN 0.259 nan 8.280 nan 0.000 0.521 119 E N 0.123 120.394 120.200 0.118 0.000 2.031 119 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 119 E C 2.235 178.842 176.600 0.013 0.000 0.994 119 E CA 1.318 57.758 56.400 0.067 0.000 0.800 119 E CB -0.214 29.549 29.700 0.106 0.000 0.752 119 E HN 0.334 nan 8.360 nan 0.000 0.447 120 K N 1.153 121.567 120.400 0.023 0.000 2.074 120 K HA -0.199 4.120 4.320 -0.001 0.000 0.209 120 K C 1.789 178.383 176.600 -0.011 0.000 1.048 120 K CA 1.452 57.745 56.287 0.011 0.000 0.926 120 K CB -0.002 32.506 32.500 0.013 0.000 0.713 120 K HN -0.021 nan 8.250 nan 0.000 0.444 121 R N 0.290 120.781 120.500 -0.014 0.000 2.319 121 R HA 0.100 4.439 4.340 -0.001 0.000 0.204 121 R C -0.198 176.012 176.300 -0.150 0.000 0.954 121 R CA -0.013 56.064 56.100 -0.038 0.000 1.066 121 R CB 0.183 30.494 30.300 0.017 0.000 0.991 121 R HN 0.150 nan 8.270 nan 0.000 0.486 122 R N 0.675 121.014 120.500 -0.269 0.000 3.516 122 R HA -0.175 4.165 4.340 -0.001 0.000 0.271 122 R C -0.704 174.988 176.300 -1.014 0.000 1.098 122 R CA 0.645 56.301 56.100 -0.739 0.000 0.732 122 R CB -2.725 27.311 30.300 -0.441 0.000 1.152 122 R HN 0.262 nan 8.270 nan 0.000 0.455 123 D N 0.263 120.328 120.400 -0.557 0.000 2.483 123 D HA 0.150 4.790 4.640 -0.001 0.000 0.220 123 D C 0.671 176.737 176.300 -0.389 0.000 1.173 123 D CA -0.384 53.379 54.000 -0.395 0.000 0.964 123 D CB -0.196 40.475 40.800 -0.214 0.000 1.046 123 D HN 0.056 nan 8.370 nan 0.000 0.517 124 F N 0.906 120.831 119.950 -0.041 0.000 2.325 124 F HA -0.017 4.509 4.527 -0.001 0.000 0.299 124 F C 2.350 178.114 175.800 -0.061 0.000 1.090 124 F CA 0.278 58.260 58.000 -0.029 0.000 1.392 124 F CB -0.174 38.824 39.000 -0.003 0.000 1.053 124 F HN 0.333 nan 8.300 nan 0.000 0.521 125 E N 0.845 121.077 120.200 0.053 0.000 2.106 125 E HA -0.159 4.190 4.350 -0.001 0.000 0.192 125 E C 2.249 178.788 176.600 -0.101 0.000 0.984 125 E CA 0.830 57.226 56.400 -0.008 0.000 0.806 125 E CB 0.074 29.759 29.700 -0.026 0.000 0.750 125 E HN 0.199 nan 8.360 nan 0.000 0.458 126 R N 0.289 120.619 120.500 -0.283 0.000 2.092 126 R HA -0.027 4.312 4.340 -0.001 0.000 0.231 126 R C 2.662 178.692 176.300 -0.450 0.000 1.119 126 R CA 0.479 56.262 56.100 -0.528 0.000 0.970 126 R CB -0.867 28.649 30.300 -1.306 0.000 0.864 126 R HN 0.278 nan 8.270 nan 0.000 0.440 127 L N 0.398 121.435 121.223 -0.309 0.000 2.017 127 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 127 L C 2.670 179.523 176.870 -0.028 0.000 1.073 127 L CA 1.512 56.272 54.840 -0.134 0.000 0.745 127 L CB -0.705 41.440 42.059 0.143 0.000 0.894 127 L HN 0.145 nan 8.230 nan 0.000 0.432 128 A N -0.975 121.889 122.820 0.073 0.000 1.917 128 A HA -0.310 4.009 4.320 -0.001 0.000 0.219 128 A C 2.300 179.906 177.584 0.037 0.000 1.182 128 A CA 2.018 54.120 52.037 0.108 0.000 0.633 128 A CB -1.022 18.026 19.000 0.080 0.000 0.819 128 A HN 0.578 nan 8.150 nan 0.000 0.448 129 H N 0.511 119.520 119.070 -0.103 0.000 2.321 129 H HA -0.111 4.444 4.556 -0.001 0.000 0.300 129 H C 2.046 177.270 175.328 -0.174 0.000 1.087 129 H CA 1.813 57.790 56.048 -0.119 0.000 1.319 129 H CB -0.176 29.507 29.762 -0.132 0.000 1.379 129 H HN 0.484 nan 8.280 nan 0.000 0.501 130 L N -0.316 120.599 121.223 -0.513 0.000 2.093 130 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 130 L C 1.825 178.346 176.870 -0.581 0.000 1.085 130 L CA 1.458 55.772 54.840 -0.876 0.000 0.755 130 L CB -1.598 39.548 42.059 -1.523 0.000 0.904 130 L HN 0.120 nan 8.230 nan 0.000 0.435 131 Y N 1.622 121.777 120.300 -0.242 0.000 2.293 131 Y HA -0.203 4.346 4.550 -0.001 0.000 0.291 131 Y C 2.583 178.458 175.900 -0.042 0.000 1.137 131 Y CA 1.541 59.585 58.100 -0.094 0.000 1.202 131 Y CB -0.762 37.666 38.460 -0.053 0.000 0.990 131 Y HN 0.413 nan 8.280 nan 0.000 0.537 132 D N -0.804 119.619 120.400 0.038 0.000 2.097 132 D HA -0.154 4.485 4.640 -0.001 0.000 0.195 132 D C 1.977 178.261 176.300 -0.027 0.000 0.989 132 D CA 2.041 56.057 54.000 0.027 0.000 0.827 132 D CB -0.169 40.610 40.800 -0.035 0.000 0.966 132 D HN 0.183 nan 8.370 nan 0.000 0.456 133 T N 0.209 114.652 114.554 -0.185 0.000 2.720 133 T HA -0.127 4.222 4.350 -0.001 0.000 0.268 133 T C 2.017 176.762 174.700 0.075 0.000 1.037 133 T CA 1.064 63.074 62.100 -0.150 0.000 1.144 133 T CB -0.346 68.441 68.868 -0.134 0.000 0.864 133 T HN 0.166 nan 8.240 nan 0.000 0.444 134 L N 0.046 121.367 121.223 0.164 0.000 2.046 134 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 134 L C 2.582 179.669 176.870 0.361 0.000 1.077 134 L CA 1.605 56.632 54.840 0.311 0.000 0.747 134 L CB -0.585 41.708 42.059 0.389 0.000 0.896 134 L HN 0.360 nan 8.230 nan 0.000 0.432 135 H N 0.647 119.840 119.070 0.204 0.000 2.319 135 H HA -0.158 4.397 4.556 -0.001 0.000 0.299 135 H C 2.380 177.798 175.328 0.150 0.000 1.092 135 H CA 1.836 57.987 56.048 0.172 0.000 1.302 135 H CB 0.018 29.836 29.762 0.093 0.000 1.373 135 H HN 0.078 nan 8.280 nan 0.000 0.497 136 R N -0.100 120.322 120.500 -0.130 0.000 2.096 136 R HA -0.056 4.284 4.340 -0.001 0.000 0.235 136 R C 2.624 178.956 176.300 0.054 0.000 1.127 136 R CA 1.032 57.053 56.100 -0.131 0.000 0.968 136 R CB -0.367 29.895 30.300 -0.062 0.000 0.861 136 R HN 0.435 nan 8.270 nan 0.000 0.440 137 A N 0.563 123.495 122.820 0.186 0.000 1.865 137 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 137 A C 1.847 179.253 177.584 -0.297 0.000 1.191 137 A CA 1.361 53.425 52.037 0.046 0.000 0.623 137 A CB -0.824 18.232 19.000 0.092 0.000 0.826 137 A HN 0.322 nan 8.150 nan 0.000 0.444 138 Y N 0.700 120.997 120.300 -0.005 0.000 2.293 138 Y HA -0.127 4.422 4.550 -0.001 0.000 0.291 138 Y C 3.015 178.859 175.900 -0.093 0.000 1.137 138 Y CA 1.278 59.359 58.100 -0.032 0.000 1.202 138 Y CB -0.454 38.025 38.460 0.031 0.000 0.990 138 Y HN 0.261 nan 8.280 nan 0.000 0.537 139 S N -0.209 115.459 115.700 -0.054 0.000 2.368 139 S HA -0.168 4.301 4.470 -0.001 0.000 0.225 139 S C 2.042 176.545 174.600 -0.162 0.000 1.030 139 S CA 1.092 59.221 58.200 -0.118 0.000 0.999 139 S CB -0.145 62.917 63.200 -0.229 0.000 0.844 139 S HN 0.329 nan 8.310 nan 0.000 0.459 140 K N 0.969 121.183 120.400 -0.309 0.000 2.097 140 K HA -0.005 4.314 4.320 -0.001 0.000 0.206 140 K C 2.115 178.494 176.600 -0.368 0.000 1.049 140 K CA 0.773 56.763 56.287 -0.495 0.000 0.933 140 K CB -0.742 31.035 32.500 -1.204 0.000 0.717 140 K HN 0.252 nan 8.250 nan 0.000 0.442 141 V N 1.679 121.412 119.914 -0.301 0.000 2.261 141 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 141 V C 2.679 178.759 176.094 -0.022 0.000 1.047 141 V CA 2.521 64.750 62.300 -0.117 0.000 1.015 141 V CB -1.069 30.712 31.823 -0.072 0.000 0.642 141 V HN 0.537 nan 8.190 nan 0.000 0.446 142 T N -1.824 112.730 114.554 0.001 0.000 2.788 142 T HA -0.250 4.099 4.350 -0.001 0.000 0.268 142 T C 1.729 176.452 174.700 0.039 0.000 1.044 142 T CA 1.719 63.838 62.100 0.033 0.000 1.139 142 T CB -0.324 68.563 68.868 0.031 0.000 0.867 142 T HN 0.640 nan 8.240 nan 0.000 0.454 143 E N 1.221 121.421 120.200 -0.000 0.000 2.007 143 E HA -0.167 4.182 4.350 -0.001 0.000 0.194 143 E C 2.505 179.141 176.600 0.060 0.000 0.999 143 E CA 2.010 58.425 56.400 0.026 0.000 0.811 143 E CB -0.268 29.416 29.700 -0.028 0.000 0.762 143 E HN 0.509 nan 8.360 nan 0.000 0.450 144 V N -0.707 119.216 119.914 0.016 0.000 2.490 144 V HA -0.232 3.888 4.120 -0.001 0.000 0.250 144 V C 2.405 178.537 176.094 0.063 0.000 1.061 144 V CA 1.940 64.264 62.300 0.041 0.000 1.064 144 V CB -0.664 31.192 31.823 0.055 0.000 0.670 144 V HN 0.273 nan 8.190 nan 0.000 0.461 145 M N 0.142 119.786 119.600 0.074 0.000 2.202 145 M HA -0.166 4.314 4.480 -0.001 0.000 0.262 145 M C 2.203 178.566 176.300 0.105 0.000 1.063 145 M CA 2.537 57.890 55.300 0.088 0.000 1.097 145 M CB -0.556 32.097 32.600 0.089 0.000 1.382 145 M HN 0.701 nan 8.290 nan 0.000 0.413 146 H N -0.606 118.477 119.070 0.023 0.000 2.399 146 H HA 0.002 4.558 4.556 -0.001 0.000 0.300 146 H C 2.147 177.488 175.328 0.022 0.000 1.048 146 H CA 1.824 57.884 56.048 0.021 0.000 1.370 146 H CB 0.132 29.903 29.762 0.015 0.000 1.428 146 H HN 0.294 nan 8.280 nan 0.000 0.534 147 S N -0.852 114.790 115.700 -0.096 0.000 2.528 147 S HA 0.138 4.607 4.470 -0.001 0.000 0.219 147 S C 1.868 176.423 174.600 -0.075 0.000 0.985 147 S CA 0.411 58.529 58.200 -0.136 0.000 0.914 147 S CB -0.352 62.841 63.200 -0.012 0.000 0.776 147 S HN 0.783 nan 8.310 nan 0.000 0.526 148 G N 1.185 109.966 108.800 -0.032 0.000 2.212 148 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.267 148 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.267 148 G C 0.896 175.805 174.900 0.016 0.000 1.002 148 G CA 0.686 45.786 45.100 0.001 0.000 0.729 148 G HN 1.097 nan 8.290 nan 0.000 0.517 149 R N -0.389 120.122 120.500 0.018 0.000 2.313 149 R HA 0.403 4.743 4.340 -0.001 0.000 0.199 149 R C 1.262 177.585 176.300 0.039 0.000 0.958 149 R CA 1.372 57.487 56.100 0.025 0.000 1.047 149 R CB -0.171 30.142 30.300 0.021 0.000 0.955 149 R HN 0.683 nan 8.270 nan 0.000 0.481 150 R N 0.727 121.260 120.500 0.055 0.000 2.221 150 R HA 0.445 4.784 4.340 -0.001 0.000 0.327 150 R C -1.080 175.259 176.300 0.066 0.000 1.033 150 R CA -0.295 55.845 56.100 0.068 0.000 0.887 150 R CB 0.481 30.843 30.300 0.103 0.000 1.057 150 R HN 0.316 nan 8.270 nan 0.000 0.455 151 L N 7.221 128.474 121.223 0.051 0.000 2.366 151 L HA 0.278 4.617 4.340 -0.001 0.000 0.266 151 L C 0.556 177.454 176.870 0.046 0.000 1.010 151 L CA -0.342 54.528 54.840 0.050 0.000 0.879 151 L CB 1.539 43.620 42.059 0.037 0.000 1.228 151 L HN 0.709 nan 8.230 nan 0.000 0.439 152 L N 2.372 123.636 121.223 0.068 0.000 2.558 152 L HA 0.365 4.704 4.340 -0.001 0.000 0.225 152 L C 0.976 177.866 176.870 0.034 0.000 1.128 152 L CA 0.246 55.127 54.840 0.068 0.000 0.868 152 L CB 0.076 42.205 42.059 0.117 0.000 1.006 152 L HN 0.810 nan 8.230 nan 0.000 0.454 153 G N -0.478 108.330 108.800 0.014 0.000 2.339 153 G HA2 0.128 4.087 3.960 -0.001 0.000 0.381 153 G HA3 0.128 4.087 3.960 -0.001 0.000 0.381 153 G C -0.769 174.052 174.900 -0.130 0.000 1.400 153 G CA -0.379 44.663 45.100 -0.096 0.000 1.002 153 G HN -0.029 nan 8.290 nan 0.000 0.633 154 T N -1.916 112.502 114.554 -0.227 0.000 2.916 154 T HA 0.811 5.160 4.350 -0.001 0.000 0.292 154 T C -1.048 173.395 174.700 -0.429 0.000 1.055 154 T CA -0.831 61.186 62.100 -0.138 0.000 1.009 154 T CB 2.202 71.109 68.868 0.065 0.000 1.118 154 T HN 0.866 nan 8.240 nan 0.000 0.497 155 Y N -0.155 119.934 120.300 -0.353 0.000 2.499 155 Y HA 0.748 5.297 4.550 -0.001 0.000 0.347 155 Y C -0.816 174.594 175.900 -0.816 0.000 0.987 155 Y CA -1.315 56.516 58.100 -0.448 0.000 1.044 155 Y CB 2.145 40.274 38.460 -0.551 0.000 1.245 155 Y HN 0.683 nan 8.280 nan 0.000 0.461 156 F N 0.703 120.612 119.950 -0.068 0.000 2.591 156 F HA 0.468 4.994 4.527 -0.001 0.000 0.309 156 F C -0.289 175.434 175.800 -0.129 0.000 1.098 156 F CA -1.137 56.802 58.000 -0.102 0.000 0.937 156 F CB 1.857 40.802 39.000 -0.091 0.000 1.250 156 F HN 0.257 nan 8.300 nan 0.000 0.447 157 R N 2.189 122.679 120.500 -0.018 0.000 2.340 157 R HA 0.692 5.032 4.340 -0.001 0.000 0.300 157 R C -1.663 174.567 176.300 -0.117 0.000 1.069 157 R CA -0.182 55.888 56.100 -0.051 0.000 0.984 157 R CB 0.901 31.135 30.300 -0.111 0.000 1.003 157 R HN 0.582 nan 8.270 nan 0.000 0.459 158 V N 3.176 123.001 119.914 -0.149 0.000 2.588 158 V HA 0.714 4.833 4.120 -0.001 0.000 0.304 158 V C -0.728 175.124 176.094 -0.403 0.000 1.042 158 V CA -0.752 61.299 62.300 -0.415 0.000 0.877 158 V CB 1.696 33.025 31.823 -0.823 0.000 0.996 158 V HN 0.954 nan 8.190 nan 0.000 0.425 159 A N 4.266 126.728 122.820 -0.597 0.000 2.455 159 A HA 0.949 5.268 4.320 -0.001 0.000 0.300 159 A C -1.385 175.622 177.584 -0.961 0.000 1.040 159 A CA -0.413 51.247 52.037 -0.628 0.000 0.697 159 A CB 1.264 20.056 19.000 -0.347 0.000 1.265 159 A HN 0.596 nan 8.150 nan 0.000 0.407 160 F N 0.405 119.912 119.950 -0.738 0.000 2.507 160 F HA 0.843 5.370 4.527 -0.001 0.000 0.327 160 F C -0.555 174.642 175.800 -1.004 0.000 1.068 160 F CA -0.659 56.781 58.000 -0.932 0.000 0.965 160 F CB 1.771 39.836 39.000 -1.557 0.000 1.192 160 F HN 0.417 nan 8.300 nan 0.000 0.476 161 F N 0.312 120.285 119.950 0.038 0.000 2.588 161 F HA 0.671 5.198 4.527 -0.002 0.000 0.314 161 F C 0.033 176.128 175.800 0.492 0.000 1.134 161 F CA -1.373 56.772 58.000 0.241 0.000 0.961 161 F CB 2.430 41.536 39.000 0.176 0.000 1.239 161 F HN 0.677 nan 8.300 nan 0.000 0.448 162 G N 1.157 110.321 108.800 0.607 0.000 2.344 162 G HA2 0.380 4.339 3.960 -0.001 0.000 0.252 162 G HA3 0.380 4.339 3.960 -0.001 0.000 0.252 162 G C 0.106 175.255 174.900 0.414 0.000 1.415 162 G CA -0.078 45.340 45.100 0.530 0.000 1.224 162 G HN 0.974 nan 8.290 nan 0.000 0.616 163 Q N 0.214 120.181 119.800 0.277 0.000 2.133 163 Q HA -0.040 4.299 4.340 -0.001 0.000 0.208 163 Q C 2.895 178.939 176.000 0.073 0.000 0.991 163 Q CA 3.150 59.054 55.803 0.169 0.000 0.867 163 Q CB -0.669 28.137 28.738 0.113 0.000 0.911 163 Q HN 2.174 nan 8.270 nan 0.000 0.417 164 G N -1.597 107.196 108.800 -0.012 0.000 2.443 164 G HA2 0.069 4.028 3.960 -0.001 0.000 0.219 164 G HA3 0.069 4.028 3.960 -0.001 0.000 0.219 164 G C 1.314 175.930 174.900 -0.473 0.000 1.131 164 G CA 0.995 45.928 45.100 -0.278 0.000 0.775 164 G HN 0.562 nan 8.290 nan 0.000 0.547 165 F N -1.010 118.757 119.950 -0.304 0.000 2.343 165 F HA 0.347 4.873 4.527 -0.000 0.000 0.286 165 F C 1.776 177.275 175.800 -0.501 0.000 1.057 165 F CA 0.130 57.716 58.000 -0.689 0.000 1.365 165 F CB -0.041 38.124 39.000 -1.392 0.000 1.114 165 F HN 0.002 nan 8.300 nan 0.000 0.545 166 F N 0.037 120.056 119.950 0.114 0.000 2.727 166 F HA 0.181 4.707 4.527 -0.001 0.000 0.302 166 F C 1.132 176.974 175.800 0.070 0.000 1.097 166 F CA -0.122 57.931 58.000 0.089 0.000 1.330 166 F CB -0.586 38.426 39.000 0.019 0.000 1.084 166 F HN -0.127 nan 8.300 nan 0.000 0.578 167 E N 0.583 120.891 120.200 0.180 0.000 3.296 167 E HA -0.351 3.998 4.350 -0.001 0.000 0.422 167 E C 1.322 178.004 176.600 0.136 0.000 1.557 167 E CA 2.291 58.765 56.400 0.123 0.000 1.302 167 E CB -1.091 28.669 29.700 0.102 0.000 1.497 167 E HN 0.423 nan 8.360 nan 0.000 0.467 168 D N 0.605 121.078 120.400 0.121 0.000 2.277 168 D HA -0.094 4.546 4.640 -0.001 0.000 0.208 168 D C 1.235 177.604 176.300 0.116 0.000 0.962 168 D CA 0.839 54.901 54.000 0.103 0.000 0.865 168 D CB -0.270 40.582 40.800 0.086 0.000 0.939 168 D HN 0.343 nan 8.370 nan 0.000 0.510 169 E N 0.819 121.104 120.200 0.141 0.000 2.478 169 E HA -0.089 4.260 4.350 -0.001 0.000 0.198 169 E C -0.084 176.559 176.600 0.071 0.000 1.046 169 E CA 0.026 56.491 56.400 0.108 0.000 0.870 169 E CB -0.020 29.676 29.700 -0.006 0.000 0.818 169 E HN 0.280 nan 8.360 nan 0.000 0.527 170 D N -0.455 120.016 120.400 0.118 0.000 2.412 170 D HA 0.046 4.686 4.640 -0.001 0.000 0.257 170 D C 0.989 177.282 176.300 -0.011 0.000 1.217 170 D CA 1.197 55.252 54.000 0.091 0.000 0.897 170 D CB 0.271 41.186 40.800 0.191 0.000 1.132 170 D HN 0.185 nan 8.370 nan 0.000 0.493 171 G N 2.011 110.682 108.800 -0.215 0.000 2.225 171 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.254 171 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.254 171 G C 0.578 175.345 174.900 -0.222 0.000 0.988 171 G CA 0.421 45.370 45.100 -0.252 0.000 0.625 171 G HN 0.880 nan 8.290 nan 0.000 0.527 172 K N 1.145 121.472 120.400 -0.122 0.000 2.379 172 K HA 0.596 4.916 4.320 -0.001 0.000 0.284 172 K C 0.292 176.837 176.600 -0.093 0.000 1.044 172 K CA 0.597 56.837 56.287 -0.080 0.000 0.974 172 K CB 0.170 32.700 32.500 0.050 0.000 0.962 172 K HN 0.634 nan 8.250 nan 0.000 0.474 173 E N 0.917 121.003 120.200 -0.190 0.000 2.191 173 E HA 0.484 4.834 4.350 -0.001 0.000 0.278 173 E C -1.057 175.419 176.600 -0.207 0.000 0.972 173 E CA -0.579 55.748 56.400 -0.121 0.000 0.804 173 E CB 1.088 30.736 29.700 -0.087 0.000 1.110 173 E HN 0.633 nan 8.360 nan 0.000 0.394 174 Y N 0.938 121.295 120.300 0.095 0.000 2.570 174 Y HA 0.381 4.930 4.550 -0.001 0.000 0.345 174 Y C -0.024 176.002 175.900 0.209 0.000 1.014 174 Y CA -1.324 56.904 58.100 0.214 0.000 1.063 174 Y CB 1.324 40.032 38.460 0.414 0.000 1.272 174 Y HN 0.302 nan 8.280 nan 0.000 0.477 175 I N 2.282 123.093 120.570 0.402 0.000 2.336 175 I HA 0.177 4.346 4.170 -0.001 0.000 0.292 175 I C -0.951 175.455 176.117 0.481 0.000 0.991 175 I CA -1.225 60.240 61.300 0.276 0.000 1.227 175 I CB 0.302 38.304 38.000 0.003 0.000 1.366 175 I HN 0.486 nan 8.210 nan 0.000 0.466 176 Y N 4.667 125.035 120.300 0.114 0.000 2.330 176 Y HA 0.350 4.899 4.550 -0.001 0.000 0.336 176 Y C 0.579 176.444 175.900 -0.058 0.000 1.036 176 Y CA -0.885 57.284 58.100 0.115 0.000 1.125 176 Y CB 1.390 39.915 38.460 0.108 0.000 1.194 176 Y HN 0.422 nan 8.280 nan 0.000 0.469 177 K N 3.831 124.210 120.400 -0.035 0.000 2.263 177 K HA 0.308 4.627 4.320 -0.001 0.000 0.272 177 K C -0.788 175.712 176.600 -0.167 0.000 1.033 177 K CA -0.455 55.585 56.287 -0.411 0.000 0.884 177 K CB 0.648 32.916 32.500 -0.387 0.000 1.107 177 K HN 0.571 nan 8.250 nan 0.000 0.460 178 E N 4.042 124.146 120.200 -0.161 0.000 2.222 178 E HA 0.384 4.733 4.350 -0.001 0.000 0.267 178 E C -2.501 174.064 176.600 -0.059 0.000 0.963 178 E CA -2.424 53.969 56.400 -0.013 0.000 0.837 178 E CB 1.388 31.167 29.700 0.132 0.000 1.183 178 E HN 0.510 nan 8.360 nan 0.000 0.403 179 P HA 0.078 nan 4.420 nan 0.000 0.275 179 P C 0.143 177.443 177.300 -0.001 0.000 1.227 179 P CA -0.139 62.951 63.100 -0.015 0.000 0.781 179 P CB 0.748 32.447 31.700 -0.001 0.000 0.906 180 K N 1.246 121.645 120.400 -0.001 0.000 1.751 180 K HA -0.229 4.090 4.320 -0.001 0.000 0.134 180 K C 0.728 177.345 176.600 0.028 0.000 1.167 180 K CA 1.283 57.579 56.287 0.015 0.000 0.330 180 K CB -1.996 30.515 32.500 0.018 0.000 0.663 180 K HN 0.379 nan 8.250 nan 0.000 0.817 181 L N 2.201 123.446 121.223 0.037 0.000 3.017 181 L HA 0.141 4.480 4.340 -0.001 0.000 0.255 181 L C -0.087 176.827 176.870 0.073 0.000 1.247 181 L CA -0.267 54.604 54.840 0.050 0.000 1.038 181 L CB 0.499 42.581 42.059 0.037 0.000 1.380 181 L HN 0.350 nan 8.230 nan 0.000 0.548 182 T N 3.334 117.940 114.554 0.087 0.000 2.656 182 T HA 0.001 4.350 4.350 -0.001 0.000 0.258 182 T C -2.172 172.657 174.700 0.214 0.000 1.020 182 T CA -0.341 61.823 62.100 0.106 0.000 1.191 182 T CB -0.176 68.750 68.868 0.096 0.000 1.004 182 T HN 0.088 nan 8.240 nan 0.000 0.498 183 P HA 0.269 nan 4.420 nan 0.000 0.281 183 P C 1.001 178.367 177.300 0.111 0.000 1.264 183 P CA -0.866 62.316 63.100 0.138 0.000 0.824 183 P CB 0.781 32.502 31.700 0.035 0.000 1.092 184 L N 2.198 123.528 121.223 0.179 0.000 2.043 184 L HA -0.252 4.087 4.340 -0.001 0.000 0.212 184 L C 2.251 179.075 176.870 -0.076 0.000 1.075 184 L CA 2.857 57.743 54.840 0.077 0.000 0.752 184 L CB -1.598 40.555 42.059 0.157 0.000 0.891 184 L HN 0.463 nan 8.230 nan 0.000 0.432 185 S N -1.484 114.195 115.700 -0.035 0.000 2.400 185 S HA -0.273 4.196 4.470 -0.001 0.000 0.232 185 S C 1.902 176.459 174.600 -0.072 0.000 1.025 185 S CA 1.325 59.497 58.200 -0.046 0.000 0.993 185 S CB -0.691 62.494 63.200 -0.026 0.000 0.808 185 S HN 0.727 nan 8.310 nan 0.000 0.478 186 E N 1.147 121.296 120.200 -0.084 0.000 2.033 186 E HA -0.030 4.320 4.350 -0.001 0.000 0.189 186 E C 2.104 178.615 176.600 -0.149 0.000 0.979 186 E CA 0.928 57.273 56.400 -0.092 0.000 0.802 186 E CB -0.257 29.404 29.700 -0.065 0.000 0.763 186 E HN 0.608 nan 8.360 nan 0.000 0.449 187 I N 1.010 121.414 120.570 -0.277 0.000 2.252 187 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 187 I C 2.414 178.378 176.117 -0.256 0.000 1.102 187 I CA 1.659 62.753 61.300 -0.344 0.000 1.385 187 I CB -0.205 37.370 38.000 -0.709 0.000 1.064 187 I HN 0.236 nan 8.210 nan 0.000 0.414 188 S N 0.282 115.836 115.700 -0.243 0.000 2.368 188 S HA -0.235 4.234 4.470 -0.001 0.000 0.225 188 S C 1.940 176.494 174.600 -0.078 0.000 1.030 188 S CA 0.948 59.058 58.200 -0.150 0.000 0.999 188 S CB -0.605 62.524 63.200 -0.118 0.000 0.844 188 S HN 0.538 nan 8.310 nan 0.000 0.459 189 Q N 0.988 120.746 119.800 -0.070 0.000 2.119 189 Q HA -0.014 4.325 4.340 -0.001 0.000 0.201 189 Q C 2.430 178.414 176.000 -0.027 0.000 0.972 189 Q CA 1.137 56.917 55.803 -0.038 0.000 0.847 189 Q CB -0.347 28.370 28.738 -0.036 0.000 0.903 189 Q HN 0.709 nan 8.270 nan 0.000 0.433 190 R N 0.589 121.062 120.500 -0.045 0.000 2.073 190 R HA -0.084 4.255 4.340 -0.001 0.000 0.234 190 R C 2.334 178.638 176.300 0.006 0.000 1.134 190 R CA 0.930 57.012 56.100 -0.030 0.000 0.952 190 R CB -0.144 30.130 30.300 -0.043 0.000 0.850 190 R HN 0.188 nan 8.270 nan 0.000 0.433 191 L N 0.712 121.955 121.223 0.033 0.000 2.093 191 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 191 L C 2.466 179.482 176.870 0.244 0.000 1.085 191 L CA 0.386 55.329 54.840 0.170 0.000 0.755 191 L CB -0.468 41.700 42.059 0.182 0.000 0.904 191 L HN 0.273 nan 8.230 nan 0.000 0.435 192 L N 0.976 122.277 121.223 0.131 0.000 2.012 192 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 192 L C 2.909 179.847 176.870 0.114 0.000 1.073 192 L CA 2.710 57.628 54.840 0.130 0.000 0.748 192 L CB -0.987 41.104 42.059 0.054 0.000 0.891 192 L HN 0.149 nan 8.230 nan 0.000 0.431 193 K N -0.315 120.116 120.400 0.051 0.000 1.987 193 K HA -0.229 4.091 4.320 -0.001 0.000 0.216 193 K C 2.127 178.718 176.600 -0.014 0.000 1.051 193 K CA 2.087 58.383 56.287 0.013 0.000 0.942 193 K CB -1.795 30.697 32.500 -0.014 0.000 0.722 193 K HN 0.457 nan 8.250 nan 0.000 0.444 194 L N -0.303 120.883 121.223 -0.062 0.000 2.010 194 L HA -0.219 4.120 4.340 -0.001 0.000 0.219 194 L C 2.527 179.210 176.870 -0.312 0.000 1.077 194 L CA 2.312 57.012 54.840 -0.233 0.000 0.773 194 L CB -0.607 41.235 42.059 -0.361 0.000 0.892 194 L HN 0.606 nan 8.230 nan 0.000 0.436 195 Y N -1.872 118.468 120.300 0.068 0.000 2.448 195 Y HA 0.004 4.553 4.550 -0.001 0.000 0.289 195 Y C 2.638 178.596 175.900 0.096 0.000 1.114 195 Y CA 0.890 59.054 58.100 0.107 0.000 1.235 195 Y CB -0.387 38.305 38.460 0.387 0.000 1.045 195 Y HN 0.117 nan 8.280 nan 0.000 0.554 196 S N 0.175 115.990 115.700 0.192 0.000 2.370 196 S HA -0.201 4.269 4.470 -0.001 0.000 0.226 196 S C 1.440 176.069 174.600 0.047 0.000 1.033 196 S CA 1.695 59.966 58.200 0.118 0.000 1.011 196 S CB -0.351 62.893 63.200 0.072 0.000 0.852 196 S HN 0.451 nan 8.310 nan 0.000 0.457 197 D N 1.281 121.670 120.400 -0.018 0.000 2.123 197 D HA -0.036 4.603 4.640 -0.001 0.000 0.196 197 D C 2.032 178.260 176.300 -0.120 0.000 0.992 197 D CA 1.712 55.672 54.000 -0.065 0.000 0.833 197 D CB -0.209 40.535 40.800 -0.092 0.000 0.954 197 D HN 0.491 nan 8.370 nan 0.000 0.455 198 K N -0.606 119.646 120.400 -0.247 0.000 2.437 198 K HA 0.182 4.501 4.320 -0.001 0.000 0.198 198 K C 0.771 177.000 176.600 -0.619 0.000 1.024 198 K CA 0.117 56.133 56.287 -0.452 0.000 1.148 198 K CB -0.427 31.694 32.500 -0.632 0.000 0.860 198 K HN 0.141 nan 8.250 nan 0.000 0.515 199 F N -1.240 118.755 119.950 0.076 0.000 2.953 199 F HA 0.377 4.904 4.527 -0.001 0.000 0.382 199 F C 0.869 176.726 175.800 0.095 0.000 0.965 199 F CA -0.297 57.774 58.000 0.119 0.000 1.081 199 F CB 1.111 40.178 39.000 0.113 0.000 1.132 199 F HN 0.306 nan 8.300 nan 0.000 0.567 200 G N 1.090 110.009 108.800 0.198 0.000 3.209 200 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.686 200 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.686 200 G C 0.674 175.644 174.900 0.117 0.000 1.065 200 G CA -0.084 45.096 45.100 0.133 0.000 0.812 200 G HN 0.462 nan 8.290 nan 0.000 0.573 201 S N 0.573 116.319 115.700 0.075 0.000 2.420 201 S HA -0.204 4.265 4.470 -0.001 0.000 0.237 201 S C 1.810 176.436 174.600 0.042 0.000 1.023 201 S CA 1.992 60.224 58.200 0.053 0.000 0.991 201 S CB -0.104 63.115 63.200 0.032 0.000 0.792 201 S HN 1.246 nan 8.310 nan 0.000 0.488 202 E N 1.769 122.008 120.200 0.066 0.000 2.489 202 E HA 0.025 4.374 4.350 -0.001 0.000 0.193 202 E C 0.296 176.993 176.600 0.162 0.000 1.057 202 E CA 0.471 56.921 56.400 0.083 0.000 0.866 202 E CB -0.844 28.911 29.700 0.091 0.000 0.916 202 E HN 0.802 nan 8.360 nan 0.000 0.500 203 N N 0.092 118.870 118.700 0.131 0.000 2.203 203 N HA 0.127 4.866 4.740 -0.001 0.000 0.207 203 N C -0.841 174.610 175.510 -0.099 0.000 1.130 203 N CA -0.076 53.058 53.050 0.139 0.000 0.861 203 N CB 1.453 40.004 38.487 0.107 0.000 1.005 203 N HN -0.114 nan 8.380 nan 0.000 0.507 204 V N 0.828 120.680 119.914 -0.103 0.000 2.487 204 V HA 0.384 4.503 4.120 -0.001 0.000 0.298 204 V C -0.420 175.545 176.094 -0.216 0.000 1.028 204 V CA -0.797 61.397 62.300 -0.177 0.000 0.860 204 V CB 1.589 33.415 31.823 0.006 0.000 0.991 204 V HN -0.142 nan 8.190 nan 0.000 0.427 205 K N 4.945 125.158 120.400 -0.312 0.000 2.324 205 K HA 0.653 4.972 4.320 -0.001 0.000 0.253 205 K C -0.584 175.999 176.600 -0.029 0.000 0.932 205 K CA -0.819 55.325 56.287 -0.239 0.000 0.799 205 K CB 2.257 34.505 32.500 -0.419 0.000 1.154 205 K HN 0.645 nan 8.250 nan 0.000 0.425 206 M N 2.613 122.211 119.600 -0.004 0.000 2.146 206 M HA 0.417 4.897 4.480 -0.001 0.000 0.357 206 M C -0.041 176.284 176.300 0.042 0.000 1.261 206 M CA -0.436 54.879 55.300 0.025 0.000 1.106 206 M CB 0.251 32.848 32.600 -0.005 0.000 1.612 206 M HN 0.558 nan 8.290 nan 0.000 0.470 207 I N 3.703 124.304 120.570 0.051 0.000 2.301 207 I HA 0.069 4.239 4.170 -0.001 0.000 0.292 207 I C 1.173 177.270 176.117 -0.034 0.000 1.046 207 I CA 0.006 61.304 61.300 -0.004 0.000 1.282 207 I CB 0.896 38.865 38.000 -0.051 0.000 1.409 207 I HN 0.732 nan 8.210 nan 0.000 0.484 208 Q N 2.319 122.097 119.800 -0.037 0.000 2.297 208 Q HA -0.034 4.306 4.340 -0.001 0.000 0.203 208 Q C 0.373 176.347 176.000 -0.043 0.000 0.931 208 Q CA 0.286 56.067 55.803 -0.037 0.000 0.885 208 Q CB 0.249 28.972 28.738 -0.025 0.000 0.991 208 Q HN 0.592 nan 8.270 nan 0.000 0.498 209 D N 0.262 120.633 120.400 -0.048 0.000 2.586 209 D HA -0.073 4.567 4.640 -0.001 0.000 0.234 209 D C 0.540 176.809 176.300 -0.051 0.000 1.132 209 D CA 0.303 54.276 54.000 -0.044 0.000 0.860 209 D CB 0.909 41.671 40.800 -0.064 0.000 1.159 209 D HN 0.153 nan 8.370 nan 0.000 0.490 210 S N 1.910 117.597 115.700 -0.022 0.000 2.558 210 S HA 0.202 4.671 4.470 -0.001 0.000 0.217 210 S C 1.187 175.822 174.600 0.058 0.000 0.975 210 S CA -0.164 58.014 58.200 -0.038 0.000 0.912 210 S CB 0.198 63.377 63.200 -0.035 0.000 0.776 210 S HN 0.453 nan 8.310 nan 0.000 0.526 211 G N 1.187 110.004 108.800 0.029 0.000 2.616 211 G HA2 0.476 4.435 3.960 -0.001 0.000 0.268 211 G HA3 0.476 4.435 3.960 -0.001 0.000 0.268 211 G C -0.078 174.805 174.900 -0.029 0.000 1.213 211 G CA -0.451 44.650 45.100 0.001 0.000 0.926 211 G HN 0.669 nan 8.290 nan 0.000 0.523 212 K N -0.873 119.495 120.400 -0.054 0.000 2.448 212 K HA 0.459 4.778 4.320 -0.001 0.000 0.278 212 K C 0.327 176.865 176.600 -0.104 0.000 1.009 212 K CA 0.176 56.432 56.287 -0.052 0.000 0.995 212 K CB 0.634 33.099 32.500 -0.059 0.000 0.917 212 K HN 1.774 nan 8.250 nan 0.000 0.481 213 V N 1.357 121.183 119.914 -0.146 0.000 2.407 213 V HA 0.475 4.595 4.120 -0.001 0.000 0.278 213 V C -0.125 175.817 176.094 -0.252 0.000 1.037 213 V CA -0.776 61.347 62.300 -0.295 0.000 0.900 213 V CB 0.844 32.301 31.823 -0.609 0.000 0.983 213 V HN 0.994 nan 8.190 nan 0.000 0.459 214 N N 6.017 124.592 118.700 -0.209 0.000 2.401 214 N HA 0.431 5.170 4.740 -0.001 0.000 0.255 214 N C -1.963 173.439 175.510 -0.181 0.000 1.110 214 N CA -1.506 51.456 53.050 -0.146 0.000 0.949 214 N CB 1.534 39.959 38.487 -0.103 0.000 1.110 214 N HN 0.380 nan 8.380 nan 0.000 0.490 215 P HA -0.208 nan 4.420 nan 0.000 0.216 215 P C 1.379 178.636 177.300 -0.073 0.000 1.150 215 P CA 2.186 65.228 63.100 -0.097 0.000 0.843 215 P CB -0.012 31.708 31.700 0.034 0.000 0.787 216 K N 0.473 120.844 120.400 -0.049 0.000 2.362 216 K HA -0.184 4.135 4.320 -0.001 0.000 0.202 216 K C 1.253 177.825 176.600 -0.047 0.000 1.045 216 K CA 1.936 58.204 56.287 -0.032 0.000 0.936 216 K CB -1.679 30.807 32.500 -0.024 0.000 0.747 216 K HN 0.472 nan 8.250 nan 0.000 0.467 217 D N -1.211 119.135 120.400 -0.091 0.000 2.501 217 D HA 0.163 4.802 4.640 -0.001 0.000 0.226 217 D C -0.371 175.846 176.300 -0.139 0.000 1.198 217 D CA -0.429 53.514 54.000 -0.094 0.000 0.830 217 D CB -0.173 40.569 40.800 -0.095 0.000 1.014 217 D HN 0.160 nan 8.370 nan 0.000 0.496 218 L N 0.918 122.049 121.223 -0.153 0.000 2.360 218 L HA 0.339 4.678 4.340 -0.001 0.000 0.271 218 L C 0.163 177.087 176.870 0.090 0.000 1.057 218 L CA -0.527 54.198 54.840 -0.192 0.000 0.803 218 L CB 1.521 43.396 42.059 -0.307 0.000 1.207 218 L HN -0.063 nan 8.230 nan 0.000 0.445 219 D N 0.201 120.803 120.400 0.337 0.000 2.347 219 D HA 0.052 4.691 4.640 -0.001 0.000 0.235 219 D C 1.092 177.600 176.300 0.347 0.000 1.149 219 D CA 0.156 54.366 54.000 0.351 0.000 0.850 219 D CB 1.240 42.335 40.800 0.492 0.000 1.061 219 D HN 0.637 nan 8.370 nan 0.000 0.487 220 S N 2.916 118.735 115.700 0.198 0.000 2.441 220 S HA -0.301 4.169 4.470 -0.001 0.000 0.242 220 S C 1.969 176.647 174.600 0.131 0.000 1.018 220 S CA 1.697 59.998 58.200 0.168 0.000 0.988 220 S CB -0.440 62.813 63.200 0.088 0.000 0.778 220 S HN 0.554 nan 8.310 nan 0.000 0.498 221 K N -0.179 120.211 120.400 -0.017 0.000 2.362 221 K HA 0.166 4.485 4.320 -0.001 0.000 0.200 221 K C 0.443 176.882 176.600 -0.268 0.000 1.046 221 K CA 0.909 57.062 56.287 -0.224 0.000 0.952 221 K CB -0.759 31.431 32.500 -0.515 0.000 0.753 221 K HN 0.723 nan 8.250 nan 0.000 0.466 222 Y N -1.067 119.270 120.300 0.062 0.000 2.549 222 Y HA 0.600 5.150 4.550 -0.000 0.000 0.339 222 Y C 0.385 175.868 175.900 -0.694 0.000 1.053 222 Y CA -2.188 55.656 58.100 -0.427 0.000 1.105 222 Y CB 2.100 40.120 38.460 -0.734 0.000 1.258 222 Y HN 0.057 nan 8.280 nan 0.000 0.478 223 A N 2.260 124.418 122.820 -1.102 0.000 2.252 223 A HA 0.618 4.937 4.320 -0.001 0.000 0.309 223 A C -1.643 175.755 177.584 -0.311 0.000 1.285 223 A CA -0.385 51.214 52.037 -0.730 0.000 0.900 223 A CB -0.514 17.707 19.000 -1.297 0.000 1.157 223 A HN 0.669 nan 8.150 nan 0.000 0.536 224 Y N 1.482 121.905 120.300 0.205 0.000 2.361 224 Y HA 0.625 5.174 4.550 -0.001 0.000 0.332 224 Y C 0.173 176.190 175.900 0.195 0.000 1.101 224 Y CA -0.547 57.655 58.100 0.170 0.000 1.137 224 Y CB 1.678 40.225 38.460 0.144 0.000 1.207 224 Y HN 0.489 nan 8.280 nan 0.000 0.463 225 I N 2.593 123.300 120.570 0.229 0.000 2.447 225 I HA 0.275 4.444 4.170 -0.001 0.000 0.287 225 I C -0.792 175.323 176.117 -0.002 0.000 1.023 225 I CA -0.776 60.538 61.300 0.023 0.000 1.083 225 I CB 1.909 39.893 38.000 -0.027 0.000 1.245 225 I HN 0.501 nan 8.210 nan 0.000 0.434 226 Q N 5.924 125.690 119.800 -0.056 0.000 2.325 226 Q HA 0.580 4.919 4.340 -0.001 0.000 0.262 226 Q C -1.645 174.241 176.000 -0.190 0.000 0.968 226 Q CA -0.597 55.167 55.803 -0.065 0.000 0.877 226 Q CB 1.951 30.718 28.738 0.048 0.000 1.253 226 Q HN 0.545 nan 8.270 nan 0.000 0.448 227 V N 3.388 123.205 119.914 -0.163 0.000 2.448 227 V HA 0.534 4.653 4.120 -0.001 0.000 0.295 227 V C -0.487 175.547 176.094 -0.100 0.000 1.025 227 V CA -0.575 61.624 62.300 -0.168 0.000 0.859 227 V CB 1.877 33.586 31.823 -0.190 0.000 0.988 227 V HN 0.803 nan 8.190 nan 0.000 0.431 228 T N 3.599 118.095 114.554 -0.097 0.000 2.928 228 T HA 0.335 4.684 4.350 -0.001 0.000 0.296 228 T C -0.514 174.151 174.700 -0.059 0.000 1.000 228 T CA -0.392 61.604 62.100 -0.173 0.000 0.989 228 T CB 0.837 69.368 68.868 -0.562 0.000 1.005 228 T HN 0.796 nan 8.240 nan 0.000 0.442 229 H N 3.095 122.131 119.070 -0.057 0.000 2.848 229 H HA 0.420 4.975 4.556 -0.001 0.000 0.341 229 H C -0.258 174.947 175.328 -0.205 0.000 1.060 229 H CA 0.217 56.121 56.048 -0.240 0.000 1.444 229 H CB 0.607 30.270 29.762 -0.166 0.000 1.446 229 H HN 0.511 nan 8.280 nan 0.000 0.583 230 V N 4.125 123.540 119.914 -0.832 0.000 3.102 230 V HA 0.598 4.718 4.120 -0.001 0.000 0.312 230 V C -0.037 175.765 176.094 -0.487 0.000 1.135 230 V CA -1.049 60.998 62.300 -0.421 0.000 1.022 230 V CB 2.061 33.818 31.823 -0.111 0.000 1.056 230 V HN 0.751 nan 8.190 nan 0.000 0.436 231 I N -2.092 118.400 120.570 -0.130 0.000 3.002 231 I HA 0.819 4.989 4.170 -0.001 0.000 0.310 231 I C -2.896 173.202 176.117 -0.033 0.000 1.087 231 I CA -2.879 58.395 61.300 -0.043 0.000 1.017 231 I CB 2.276 40.269 38.000 -0.012 0.000 1.226 231 I HN 0.370 nan 8.210 nan 0.000 0.443 232 P HA 0.126 nan 4.420 nan 0.000 0.268 232 P C -1.273 175.604 177.300 -0.706 0.000 1.204 232 P CA 0.398 63.069 63.100 -0.715 0.000 0.768 232 P CB 0.172 31.524 31.700 -0.581 0.000 0.842 233 F N 4.480 123.808 119.950 -1.035 0.000 2.443 233 F HA 0.650 5.176 4.527 -0.001 0.000 0.335 233 F C -1.276 173.878 175.800 -1.077 0.000 1.104 233 F CA -0.603 56.934 58.000 -0.771 0.000 1.013 233 F CB 0.707 39.455 39.000 -0.420 0.000 1.136 233 F HN 0.118 nan 8.300 nan 0.000 0.470 234 F N 3.692 122.896 119.950 -1.243 0.000 2.561 234 F HA 0.298 4.824 4.527 -0.001 0.000 0.313 234 F C -0.354 174.853 175.800 -0.988 0.000 1.126 234 F CA -1.240 56.264 58.000 -0.827 0.000 0.918 234 F CB 1.237 39.978 39.000 -0.431 0.000 1.199 234 F HN 0.484 nan 8.300 nan 0.000 0.444 235 D N 0.514 120.747 120.400 -0.278 0.000 2.414 235 D HA 0.115 4.755 4.640 -0.001 0.000 0.251 235 D C 0.781 177.046 176.300 -0.058 0.000 1.252 235 D CA -0.261 53.690 54.000 -0.082 0.000 0.999 235 D CB 0.594 41.456 40.800 0.102 0.000 1.093 235 D HN 0.666 nan 8.370 nan 0.000 0.515 236 E N -0.728 119.462 120.200 -0.017 0.000 2.085 236 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 236 E C 1.774 178.360 176.600 -0.024 0.000 0.994 236 E CA 1.175 57.562 56.400 -0.021 0.000 0.801 236 E CB -0.123 29.574 29.700 -0.004 0.000 0.743 236 E HN 0.539 nan 8.360 nan 0.000 0.453 237 K N 1.212 121.607 120.400 -0.008 0.000 2.097 237 K HA -0.213 4.106 4.320 -0.001 0.000 0.206 237 K C 1.810 178.393 176.600 -0.027 0.000 1.049 237 K CA 1.525 57.805 56.287 -0.011 0.000 0.933 237 K CB 0.100 32.602 32.500 0.004 0.000 0.717 237 K HN 0.080 nan 8.250 nan 0.000 0.442 238 E N 0.436 120.622 120.200 -0.023 0.000 2.107 238 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 238 E C 2.009 178.511 176.600 -0.163 0.000 0.982 238 E CA 0.874 57.240 56.400 -0.057 0.000 0.809 238 E CB -0.000 29.731 29.700 0.052 0.000 0.756 238 E HN 0.294 nan 8.360 nan 0.000 0.459 239 L N 0.725 121.871 121.223 -0.129 0.000 2.191 239 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 239 L C 2.520 179.314 176.870 -0.127 0.000 1.103 239 L CA 0.894 55.638 54.840 -0.160 0.000 0.769 239 L CB -0.105 41.895 42.059 -0.098 0.000 0.908 239 L HN 0.125 nan 8.230 nan 0.000 0.438 240 Q N 0.184 119.932 119.800 -0.088 0.000 2.212 240 Q HA -0.131 4.208 4.340 -0.001 0.000 0.199 240 Q C 1.910 177.872 176.000 -0.064 0.000 0.950 240 Q CA 1.177 56.943 55.803 -0.062 0.000 0.863 240 Q CB 0.212 28.927 28.738 -0.039 0.000 0.944 240 Q HN 0.459 nan 8.270 nan 0.000 0.465 241 E N -0.429 119.726 120.200 -0.076 0.000 2.216 241 E HA -0.015 4.334 4.350 -0.001 0.000 0.192 241 E C 0.031 176.577 176.600 -0.091 0.000 0.988 241 E CA 0.420 56.780 56.400 -0.066 0.000 0.834 241 E CB 0.218 29.886 29.700 -0.052 0.000 0.772 241 E HN 0.072 nan 8.360 nan 0.000 0.479 242 R N 1.372 121.772 120.500 -0.167 0.000 2.346 242 R HA 0.218 4.557 4.340 -0.001 0.000 0.309 242 R C 0.253 176.451 176.300 -0.171 0.000 1.119 242 R CA -0.077 55.895 56.100 -0.213 0.000 1.112 242 R CB 0.646 30.676 30.300 -0.451 0.000 1.132 242 R HN -0.018 nan 8.270 nan 0.000 0.538 243 K N 0.200 120.551 120.400 -0.081 0.000 2.374 243 K HA 0.036 4.356 4.320 -0.001 0.000 0.196 243 K C 0.598 177.186 176.600 -0.020 0.000 1.023 243 K CA 0.364 56.622 56.287 -0.048 0.000 1.103 243 K CB 0.738 33.226 32.500 -0.019 0.000 0.848 243 K HN 0.481 nan 8.250 nan 0.000 0.528 244 T N -2.651 111.899 114.554 -0.007 0.000 2.907 244 T HA 0.256 4.605 4.350 -0.001 0.000 0.290 244 T C 0.773 175.492 174.700 0.031 0.000 1.066 244 T CA -0.797 61.327 62.100 0.040 0.000 1.012 244 T CB 2.155 71.085 68.868 0.104 0.000 1.184 244 T HN -0.220 nan 8.240 nan 0.000 0.522 245 E N 0.142 120.382 120.200 0.067 0.000 2.051 245 E HA -0.034 4.315 4.350 -0.001 0.000 0.192 245 E C 1.516 178.167 176.600 0.085 0.000 0.991 245 E CA 1.238 57.678 56.400 0.068 0.000 0.799 245 E CB -0.593 29.160 29.700 0.088 0.000 0.748 245 E HN 0.680 nan 8.360 nan 0.000 0.449 246 F N 1.592 121.566 119.950 0.040 0.000 2.120 246 F HA -0.220 4.306 4.527 -0.001 0.000 0.300 246 F C 1.886 177.724 175.800 0.062 0.000 1.095 246 F CA 2.016 60.048 58.000 0.055 0.000 1.249 246 F CB -0.091 38.933 39.000 0.040 0.000 0.995 246 F HN 0.094 nan 8.300 nan 0.000 0.480 247 E N -0.522 119.701 120.200 0.038 0.000 2.274 247 E HA -0.131 4.218 4.350 -0.001 0.000 0.194 247 E C 1.761 178.231 176.600 -0.217 0.000 0.996 247 E CA 0.593 56.957 56.400 -0.059 0.000 0.840 247 E CB -0.083 29.619 29.700 0.003 0.000 0.772 247 E HN 0.456 nan 8.360 nan 0.000 0.491 248 R N -0.277 120.093 120.500 -0.218 0.000 2.359 248 R HA 0.169 4.508 4.340 -0.001 0.000 0.231 248 R C 0.805 177.128 176.300 0.038 0.000 0.913 248 R CA 0.119 56.073 56.100 -0.243 0.000 1.075 248 R CB 0.637 30.809 30.300 -0.213 0.000 1.087 248 R HN -0.077 nan 8.270 nan 0.000 0.515 249 S N -0.980 114.669 115.700 -0.085 0.000 2.701 249 S HA 0.103 4.572 4.470 -0.001 0.000 0.242 249 S C -0.646 173.893 174.600 -0.102 0.000 1.025 249 S CA -0.399 57.774 58.200 -0.045 0.000 1.016 249 S CB 0.285 63.455 63.200 -0.050 0.000 0.977 249 S HN 0.311 nan 8.310 nan 0.000 0.546 250 H N 1.766 120.656 119.070 -0.300 0.000 2.806 250 H HA 0.458 5.014 4.556 -0.001 0.000 0.367 250 H C -0.703 174.591 175.328 -0.057 0.000 1.136 250 H CA -0.343 55.549 56.048 -0.259 0.000 1.178 250 H CB 0.469 29.860 29.762 -0.619 0.000 1.718 250 H HN -0.111 nan 8.280 nan 0.000 0.540 251 N N 2.730 121.088 118.700 -0.571 0.000 2.671 251 N HA -0.177 4.563 4.740 -0.001 0.000 0.261 251 N C -0.983 174.503 175.510 -0.040 0.000 1.053 251 N CA 1.456 54.356 53.050 -0.250 0.000 0.732 251 N CB -1.411 36.996 38.487 -0.133 0.000 0.887 251 N HN 0.624 nan 8.380 nan 0.000 0.546 252 I N -3.107 117.467 120.570 0.006 0.000 2.378 252 I HA 0.470 4.639 4.170 -0.001 0.000 0.291 252 I C 1.133 177.233 176.117 -0.029 0.000 0.992 252 I CA -0.895 60.373 61.300 -0.054 0.000 1.154 252 I CB 2.374 40.251 38.000 -0.204 0.000 1.315 252 I HN -0.019 nan 8.210 nan 0.000 0.448 253 R N 3.630 124.055 120.500 -0.125 0.000 2.316 253 R HA 0.351 4.690 4.340 -0.001 0.000 0.201 253 R C 0.276 176.549 176.300 -0.044 0.000 0.888 253 R CA -0.109 56.001 56.100 0.018 0.000 1.041 253 R CB 0.716 31.024 30.300 0.014 0.000 1.115 253 R HN 0.659 nan 8.270 nan 0.000 0.559 254 R N -0.066 120.182 120.500 -0.420 0.000 2.637 254 R HA 0.392 4.731 4.340 -0.001 0.000 0.291 254 R C -1.380 174.463 176.300 -0.762 0.000 0.963 254 R CA -0.440 55.474 56.100 -0.311 0.000 0.901 254 R CB 1.639 31.881 30.300 -0.097 0.000 1.160 254 R HN -0.145 nan 8.270 nan 0.000 0.457 255 F N 1.463 121.358 119.950 -0.092 0.000 2.613 255 F HA 0.565 5.091 4.527 -0.001 0.000 0.314 255 F C 0.066 175.812 175.800 -0.089 0.000 1.075 255 F CA -0.936 56.991 58.000 -0.121 0.000 0.945 255 F CB 2.280 41.199 39.000 -0.136 0.000 1.310 255 F HN 0.145 nan 8.300 nan 0.000 0.467 256 M N 3.642 123.314 119.600 0.119 0.000 2.484 256 M HA 0.610 5.089 4.480 -0.001 0.000 0.289 256 M C -2.060 174.320 176.300 0.133 0.000 1.206 256 M CA -0.535 54.776 55.300 0.018 0.000 0.892 256 M CB 2.650 35.255 32.600 0.008 0.000 1.712 256 M HN 0.698 nan 8.290 nan 0.000 0.462 257 F N 0.468 120.380 119.950 -0.064 0.000 2.629 257 F HA 0.754 5.280 4.527 -0.001 0.000 0.316 257 F C -1.391 174.395 175.800 -0.023 0.000 1.081 257 F CA -0.774 57.203 58.000 -0.037 0.000 0.954 257 F CB 1.440 40.417 39.000 -0.038 0.000 1.337 257 F HN 0.539 nan 8.300 nan 0.000 0.474 258 E N 2.642 122.875 120.200 0.054 0.000 2.176 258 E HA 0.417 4.766 4.350 -0.001 0.000 0.267 258 E C -1.393 175.272 176.600 0.108 0.000 0.893 258 E CA -0.912 55.474 56.400 -0.023 0.000 0.761 258 E CB 2.492 32.212 29.700 0.032 0.000 1.133 258 E HN 0.723 nan 8.360 nan 0.000 0.409 259 M N 4.576 124.206 119.600 0.049 0.000 2.321 259 M HA 0.410 4.889 4.480 -0.001 0.000 0.315 259 M C -2.658 173.746 176.300 0.172 0.000 1.052 259 M CA -2.190 53.200 55.300 0.150 0.000 0.936 259 M CB 1.933 34.623 32.600 0.151 0.000 1.639 259 M HN 0.176 nan 8.290 nan 0.000 0.433 260 P HA 0.318 nan 4.420 nan 0.000 0.275 260 P C -1.572 175.880 177.300 0.254 0.000 1.227 260 P CA 0.169 63.354 63.100 0.143 0.000 0.781 260 P CB 0.161 31.912 31.700 0.086 0.000 0.906 261 F N -1.226 118.724 119.950 0.001 0.000 2.686 261 F HA 0.779 5.305 4.527 -0.001 0.000 0.311 261 F C -1.017 174.787 175.800 0.007 0.000 1.128 261 F CA -0.926 57.071 58.000 -0.005 0.000 0.946 261 F CB 1.374 40.358 39.000 -0.025 0.000 1.336 261 F HN 0.377 nan 8.300 nan 0.000 0.457 262 T N -1.337 113.216 114.554 -0.001 0.000 2.924 262 T HA 0.322 4.671 4.350 -0.001 0.000 0.291 262 T C 0.249 175.005 174.700 0.093 0.000 1.045 262 T CA -0.504 61.544 62.100 -0.087 0.000 1.015 262 T CB 1.976 70.824 68.868 -0.032 0.000 1.103 262 T HN 0.775 nan 8.240 nan 0.000 0.496 263 Q N 0.998 120.828 119.800 0.050 0.000 2.124 263 Q HA -0.029 4.310 4.340 -0.001 0.000 0.202 263 Q C 2.209 178.263 176.000 0.091 0.000 0.977 263 Q CA 2.333 58.206 55.803 0.118 0.000 0.850 263 Q CB -0.794 27.989 28.738 0.074 0.000 0.901 263 Q HN 0.979 nan 8.270 nan 0.000 0.429 264 T N -2.528 112.060 114.554 0.057 0.000 3.308 264 T HA 0.209 4.559 4.350 -0.001 0.000 0.255 264 T C 0.779 175.508 174.700 0.049 0.000 1.162 264 T CA 0.205 62.331 62.100 0.042 0.000 1.031 264 T CB -0.926 67.957 68.868 0.025 0.000 0.973 264 T HN 0.420 nan 8.240 nan 0.000 0.544 265 G N 2.223 111.071 108.800 0.080 0.000 2.511 265 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.175 265 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.175 265 G C -0.150 174.782 174.900 0.053 0.000 0.233 265 G CA 0.396 45.544 45.100 0.081 0.000 1.033 265 G HN 0.946 nan 8.290 nan 0.000 0.464 266 K N 0.760 121.197 120.400 0.061 0.000 1.617 266 K HA 0.523 4.842 4.320 -0.001 0.000 0.274 266 K C 1.335 177.984 176.600 0.082 0.000 0.689 266 K CA -0.351 55.999 56.287 0.104 0.000 0.367 266 K CB 0.128 32.747 32.500 0.199 0.000 2.461 266 K HN 0.490 nan 8.250 nan 0.000 0.857 267 R N 0.693 121.263 120.500 0.118 0.000 3.844 267 R HA -0.234 4.106 4.340 -0.001 0.000 0.414 267 R C -0.223 176.109 176.300 0.053 0.000 0.248 267 R CA 2.306 58.460 56.100 0.091 0.000 1.320 267 R CB -2.056 28.280 30.300 0.061 0.000 0.937 267 R HN 0.794 nan 8.270 nan 0.000 0.585 268 Q N 0.867 120.689 119.800 0.035 0.000 2.303 268 Q HA 0.601 4.940 4.340 -0.001 0.000 0.257 268 Q C 0.380 176.386 176.000 0.010 0.000 0.941 268 Q CA 0.139 55.955 55.803 0.022 0.000 0.931 268 Q CB 1.949 30.701 28.738 0.023 0.000 1.215 268 Q HN 0.625 nan 8.270 nan 0.000 0.437 269 G N 1.063 109.864 108.800 0.002 0.000 3.135 269 G HA2 0.693 4.652 3.960 -0.001 0.000 0.278 269 G HA3 0.693 4.652 3.960 -0.001 0.000 0.278 269 G C -0.710 174.189 174.900 -0.003 0.000 1.302 269 G CA -0.545 44.553 45.100 -0.004 0.000 0.880 269 G HN 0.590 nan 8.290 nan 0.000 0.574 270 G N -1.433 107.362 108.800 -0.008 0.000 2.528 270 G HA2 0.506 4.465 3.960 -0.001 0.000 0.289 270 G HA3 0.506 4.465 3.960 -0.001 0.000 0.289 270 G C 1.388 176.296 174.900 0.014 0.000 1.192 270 G CA 0.460 45.553 45.100 -0.012 0.000 0.921 270 G HN 1.401 nan 8.290 nan 0.000 0.512 271 V N -0.950 118.974 119.914 0.017 0.000 2.469 271 V HA -0.138 3.981 4.120 -0.001 0.000 0.251 271 V C 2.327 178.521 176.094 0.167 0.000 1.064 271 V CA 2.488 64.867 62.300 0.131 0.000 1.066 271 V CB -0.504 31.389 31.823 0.116 0.000 0.667 271 V HN 0.749 nan 8.190 nan 0.000 0.461 272 E N 2.864 123.055 120.200 -0.015 0.000 2.204 272 E HA -0.257 4.093 4.350 -0.001 0.000 0.194 272 E C 1.801 178.439 176.600 0.063 0.000 0.989 272 E CA 1.874 58.237 56.400 -0.063 0.000 0.824 272 E CB -0.520 29.082 29.700 -0.164 0.000 0.756 272 E HN 0.977 nan 8.360 nan 0.000 0.477 273 E N 0.351 120.571 120.200 0.033 0.000 2.498 273 E HA 0.058 4.407 4.350 -0.001 0.000 0.203 273 E C 0.373 176.951 176.600 -0.036 0.000 1.013 273 E CA -0.342 56.061 56.400 0.005 0.000 0.927 273 E CB 0.041 29.733 29.700 -0.013 0.000 1.012 273 E HN -0.028 nan 8.360 nan 0.000 0.482 274 Q N 1.683 121.483 119.800 -0.001 0.000 2.307 274 Q HA 0.159 4.498 4.340 -0.001 0.000 0.261 274 Q C -1.131 174.763 176.000 -0.176 0.000 1.051 274 Q CA -0.144 55.620 55.803 -0.065 0.000 0.911 274 Q CB 0.449 29.197 28.738 0.017 0.000 1.227 274 Q HN 0.298 nan 8.270 nan 0.000 0.418 275 C N 3.296 122.335 119.300 -0.434 0.000 2.354 275 C HA 0.733 5.192 4.460 -0.001 0.000 0.381 275 C C -0.236 174.478 174.990 -0.460 0.000 1.240 275 C CA -0.768 57.840 59.018 -0.682 0.000 2.089 275 C CB 1.160 27.955 27.740 -1.575 0.000 2.234 275 C HN 0.859 nan 8.230 nan 0.000 0.544 276 K N 0.403 120.690 120.400 -0.188 0.000 2.535 276 K HA 0.455 4.774 4.320 -0.001 0.000 0.251 276 K C -1.159 175.654 176.600 0.355 0.000 0.942 276 K CA -0.413 55.948 56.287 0.123 0.000 0.798 276 K CB 1.386 33.908 32.500 0.036 0.000 1.267 276 K HN 0.739 nan 8.250 nan 0.000 0.434 277 R N 3.299 123.980 120.500 0.301 0.000 2.338 277 R HA 0.309 4.649 4.340 -0.001 0.000 0.317 277 R C -0.912 175.311 176.300 -0.129 0.000 0.968 277 R CA -0.698 55.431 56.100 0.048 0.000 0.849 277 R CB 1.156 31.318 30.300 -0.230 0.000 1.128 277 R HN 0.554 nan 8.270 nan 0.000 0.448 278 R N 3.263 123.682 120.500 -0.134 0.000 2.207 278 R HA 0.226 4.565 4.340 -0.001 0.000 0.334 278 R C -1.210 174.869 176.300 -0.367 0.000 1.013 278 R CA -0.242 55.709 56.100 -0.248 0.000 0.858 278 R CB 1.264 31.475 30.300 -0.148 0.000 1.094 278 R HN 0.538 nan 8.270 nan 0.000 0.457 279 T N 6.225 120.412 114.554 -0.611 0.000 2.749 279 T HA 0.360 4.710 4.350 -0.001 0.000 0.287 279 T C -0.309 174.080 174.700 -0.518 0.000 0.970 279 T CA -0.432 61.322 62.100 -0.577 0.000 0.980 279 T CB 0.696 69.121 68.868 -0.738 0.000 0.924 279 T HN 0.383 nan 8.240 nan 0.000 0.456 280 I N 4.338 124.551 120.570 -0.596 0.000 2.321 280 I HA 0.387 4.557 4.170 -0.001 0.000 0.291 280 I C -0.378 175.557 176.117 -0.302 0.000 0.998 280 I CA -0.452 60.503 61.300 -0.576 0.000 1.227 280 I CB 0.899 38.347 38.000 -0.919 0.000 1.368 280 I HN 0.449 nan 8.210 nan 0.000 0.466 281 L N 5.816 126.986 121.223 -0.088 0.000 2.329 281 L HA 0.643 4.982 4.340 -0.001 0.000 0.279 281 L C -0.047 176.909 176.870 0.142 0.000 1.014 281 L CA -0.379 54.489 54.840 0.046 0.000 0.814 281 L CB 1.791 43.918 42.059 0.113 0.000 1.257 281 L HN 0.463 nan 8.230 nan 0.000 0.424 282 T N 1.990 116.641 114.554 0.162 0.000 2.770 282 T HA 0.664 5.013 4.350 -0.001 0.000 0.283 282 T C 0.098 174.891 174.700 0.156 0.000 0.988 282 T CA -0.533 61.673 62.100 0.177 0.000 0.957 282 T CB 1.585 70.567 68.868 0.190 0.000 0.930 282 T HN 0.666 nan 8.240 nan 0.000 0.443 283 A N 2.581 125.515 122.820 0.189 0.000 2.304 283 A HA 0.589 4.909 4.320 -0.001 0.000 0.271 283 A C 1.556 179.116 177.584 -0.039 0.000 1.091 283 A CA -0.706 51.399 52.037 0.113 0.000 0.812 283 A CB -0.088 19.053 19.000 0.235 0.000 1.056 283 A HN 1.027 nan 8.150 nan 0.000 0.489 284 I N -1.711 118.758 120.570 -0.169 0.000 2.546 284 I HA 0.044 4.213 4.170 -0.001 0.000 0.255 284 I C 0.472 176.247 176.117 -0.570 0.000 1.163 284 I CA 0.787 61.879 61.300 -0.346 0.000 1.457 284 I CB -0.360 37.378 38.000 -0.436 0.000 1.092 284 I HN 0.483 nan 8.210 nan 0.000 0.434 285 H N -0.055 118.838 119.070 -0.297 0.000 2.771 285 H HA 0.442 4.998 4.556 -0.001 0.000 0.367 285 H C -0.622 174.487 175.328 -0.365 0.000 1.172 285 H CA -1.349 54.437 56.048 -0.437 0.000 1.186 285 H CB 1.587 30.759 29.762 -0.983 0.000 1.790 285 H HN 0.124 nan 8.280 nan 0.000 0.556 286 C N 1.522 120.746 119.300 -0.126 0.000 2.604 286 C HA 0.277 4.736 4.460 -0.001 0.000 0.396 286 C C 0.384 175.292 174.990 -0.137 0.000 1.282 286 C CA -0.290 58.692 59.018 -0.059 0.000 2.292 286 C CB -1.039 26.696 27.740 -0.009 0.000 2.633 286 C HN 0.428 nan 8.230 nan 0.000 0.620 287 F N 3.627 123.657 119.950 0.134 0.000 2.397 287 F HA 0.450 4.976 4.527 -0.001 0.000 0.331 287 F C -1.466 174.354 175.800 0.034 0.000 1.090 287 F CA -1.946 56.165 58.000 0.186 0.000 1.065 287 F CB 0.835 40.055 39.000 0.367 0.000 1.184 287 F HN 0.396 nan 8.300 nan 0.000 0.499 288 P HA 0.167 nan 4.420 nan 0.000 0.278 288 P C -1.535 175.903 177.300 0.231 0.000 1.258 288 P CA -0.054 63.241 63.100 0.325 0.000 0.811 288 P CB 1.831 33.681 31.700 0.249 0.000 1.063 289 Y N 0.103 120.400 120.300 -0.004 0.000 2.889 289 Y HA 0.291 4.840 4.550 -0.001 0.000 0.317 289 Y C 1.014 176.823 175.900 -0.153 0.000 1.414 289 Y CA -0.850 57.186 58.100 -0.106 0.000 1.091 289 Y CB 0.712 39.048 38.460 -0.207 0.000 1.358 289 Y HN 0.084 nan 8.280 nan 0.000 0.487 290 V N -0.810 118.574 119.914 -0.883 0.000 3.510 290 V HA 0.321 4.441 4.120 -0.001 0.000 0.270 290 V C -0.105 175.769 176.094 -0.367 0.000 1.201 290 V CA 0.887 62.785 62.300 -0.670 0.000 1.166 290 V CB -1.036 30.327 31.823 -0.766 0.000 0.825 290 V HN 0.476 nan 8.190 nan 0.000 0.484 291 K N 0.654 120.883 120.400 -0.285 0.000 2.443 291 K HA 0.492 4.811 4.320 -0.001 0.000 0.251 291 K C 0.339 176.998 176.600 0.098 0.000 0.972 291 K CA -0.527 55.777 56.287 0.029 0.000 0.833 291 K CB 2.172 34.761 32.500 0.149 0.000 1.317 291 K HN 0.144 nan 8.250 nan 0.000 0.441 292 K N 1.484 121.946 120.400 0.104 0.000 2.374 292 K HA 0.090 4.409 4.320 -0.001 0.000 0.196 292 K C -0.078 176.635 176.600 0.189 0.000 1.023 292 K CA 0.084 56.460 56.287 0.149 0.000 1.103 292 K CB 0.253 32.778 32.500 0.043 0.000 0.848 292 K HN 0.497 nan 8.250 nan 0.000 0.528 293 R N 0.578 121.148 120.500 0.116 0.000 2.621 293 R HA 0.538 4.877 4.340 -0.001 0.000 0.284 293 R C -1.366 175.111 176.300 0.295 0.000 0.998 293 R CA -0.763 55.378 56.100 0.068 0.000 0.895 293 R CB 1.292 31.229 30.300 -0.606 0.000 1.195 293 R HN 0.020 nan 8.270 nan 0.000 0.450 294 I N 2.680 123.506 120.570 0.426 0.000 2.533 294 I HA 0.375 4.544 4.170 -0.001 0.000 0.290 294 I C -2.401 173.860 176.117 0.239 0.000 1.056 294 I CA -3.008 58.452 61.300 0.266 0.000 1.057 294 I CB 2.689 40.630 38.000 -0.099 0.000 1.240 294 I HN 0.419 nan 8.210 nan 0.000 0.423 295 P HA -0.007 nan 4.420 nan 0.000 0.264 295 P C -0.324 176.902 177.300 -0.124 0.000 1.183 295 P CA -0.046 62.897 63.100 -0.262 0.000 0.763 295 P CB 0.427 31.981 31.700 -0.244 0.000 0.807 296 V N 4.682 124.517 119.914 -0.132 0.000 2.637 296 V HA 0.052 4.171 4.120 -0.001 0.000 0.296 296 V C 1.648 177.713 176.094 -0.049 0.000 1.046 296 V CA 0.515 62.793 62.300 -0.037 0.000 1.066 296 V CB 0.689 32.497 31.823 -0.024 0.000 0.968 296 V HN 0.706 nan 8.190 nan 0.000 0.483 297 M N 4.525 124.128 119.600 0.006 0.000 2.557 297 M HA 0.245 4.725 4.480 -0.001 0.000 0.262 297 M C -0.111 176.257 176.300 0.114 0.000 1.168 297 M CA 0.929 56.244 55.300 0.024 0.000 1.194 297 M CB 0.622 33.230 32.600 0.015 0.000 1.311 297 M HN 0.673 nan 8.290 nan 0.000 0.489 298 Y N 0.908 121.201 120.300 -0.012 0.000 2.581 298 Y HA 0.392 4.941 4.550 -0.001 0.000 0.337 298 Y C -1.672 174.246 175.900 0.030 0.000 1.108 298 Y CA -0.940 57.164 58.100 0.006 0.000 1.033 298 Y CB 1.077 39.540 38.460 0.005 0.000 1.318 298 Y HN 0.339 nan 8.280 nan 0.000 0.459 299 Q N 3.166 122.548 119.800 -0.697 0.000 2.590 299 Q HA 0.639 4.978 4.340 -0.001 0.000 0.295 299 Q C -2.052 173.643 176.000 -0.508 0.000 0.973 299 Q CA -0.951 54.600 55.803 -0.420 0.000 0.768 299 Q CB 3.409 32.030 28.738 -0.194 0.000 1.479 299 Q HN 0.980 nan 8.270 nan 0.000 0.419 300 H N -1.603 117.273 119.070 -0.323 0.000 2.932 300 H HA 0.737 5.292 4.556 -0.001 0.000 0.307 300 H C -1.606 173.630 175.328 -0.153 0.000 1.391 300 H CA -0.585 55.310 56.048 -0.255 0.000 1.130 300 H CB 1.236 30.875 29.762 -0.205 0.000 1.836 300 H HN 1.075 nan 8.280 nan 0.000 0.522 301 H N -1.714 117.253 119.070 -0.172 0.000 2.990 301 H HA 0.806 5.361 4.556 -0.001 0.000 0.343 301 H C -1.621 173.644 175.328 -0.105 0.000 1.270 301 H CA -0.940 54.958 56.048 -0.251 0.000 1.118 301 H CB 2.033 31.641 29.762 -0.257 0.000 1.861 301 H HN 0.824 nan 8.280 nan 0.000 0.544 302 T N 1.905 116.477 114.554 0.030 0.000 2.991 302 T HA 0.267 4.617 4.350 -0.001 0.000 0.303 302 T C -1.403 173.360 174.700 0.106 0.000 1.015 302 T CA -0.856 61.266 62.100 0.037 0.000 1.007 302 T CB 1.277 70.143 68.868 -0.004 0.000 1.034 302 T HN 0.580 nan 8.240 nan 0.000 0.446 303 D N 2.193 122.683 120.400 0.151 0.000 2.210 303 D HA 0.610 5.249 4.640 -0.001 0.000 0.249 303 D C -0.445 175.943 176.300 0.147 0.000 1.062 303 D CA -0.395 53.737 54.000 0.221 0.000 0.891 303 D CB 1.386 42.376 40.800 0.318 0.000 1.186 303 D HN 0.176 nan 8.370 nan 0.000 0.432 304 L N 2.284 123.584 121.223 0.130 0.000 2.342 304 L HA 0.308 4.648 4.340 -0.001 0.000 0.271 304 L C 0.553 177.405 176.870 -0.030 0.000 1.008 304 L CA -0.841 54.015 54.840 0.026 0.000 0.818 304 L CB 1.144 43.197 42.059 -0.011 0.000 1.296 304 L HN 0.142 nan 8.230 nan 0.000 0.427 305 N N 2.228 120.893 118.700 -0.060 0.000 2.399 305 N HA 0.179 4.918 4.740 -0.001 0.000 0.250 305 N C -1.805 173.627 175.510 -0.130 0.000 1.272 305 N CA -1.378 51.618 53.050 -0.090 0.000 0.928 305 N CB 0.574 39.005 38.487 -0.093 0.000 1.158 305 N HN 0.308 nan 8.380 nan 0.000 0.463 306 P HA -0.034 nan 4.420 nan 0.000 0.217 306 P C 1.544 178.645 177.300 -0.331 0.000 1.150 306 P CA 0.812 63.903 63.100 -0.015 0.000 0.832 306 P CB 0.335 32.187 31.700 0.253 0.000 0.787 307 I N -0.358 119.824 120.570 -0.646 0.000 2.315 307 I HA -0.210 3.959 4.170 -0.001 0.000 0.248 307 I C 1.901 177.673 176.117 -0.576 0.000 1.117 307 I CA 1.566 62.190 61.300 -1.127 0.000 1.404 307 I CB -0.096 37.345 38.000 -0.931 0.000 1.071 307 I HN -0.078 nan 8.210 nan 0.000 0.419 308 E N -0.092 119.905 120.200 -0.338 0.000 2.077 308 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 308 E C 2.229 178.696 176.600 -0.223 0.000 0.989 308 E CA 1.510 57.775 56.400 -0.226 0.000 0.800 308 E CB -0.028 29.591 29.700 -0.135 0.000 0.746 308 E HN 0.374 nan 8.360 nan 0.000 0.452 309 V N 1.511 121.299 119.914 -0.209 0.000 2.295 309 V HA -0.307 3.812 4.120 -0.001 0.000 0.246 309 V C 2.378 178.304 176.094 -0.279 0.000 1.049 309 V CA 1.891 64.093 62.300 -0.165 0.000 1.024 309 V CB -0.835 30.938 31.823 -0.083 0.000 0.648 309 V HN 0.332 nan 8.190 nan 0.000 0.447 310 A N -0.073 122.471 122.820 -0.460 0.000 1.873 310 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 310 A C 2.199 179.353 177.584 -0.717 0.000 1.193 310 A CA 2.438 53.877 52.037 -0.997 0.000 0.629 310 A CB -0.706 17.712 19.000 -0.969 0.000 0.826 310 A HN 0.495 nan 8.150 nan 0.000 0.447 311 I N -0.524 119.768 120.570 -0.463 0.000 2.208 311 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 311 I C 2.292 178.258 176.117 -0.252 0.000 1.097 311 I CA 1.862 62.975 61.300 -0.312 0.000 1.363 311 I CB -0.300 37.567 38.000 -0.221 0.000 1.051 311 I HN 0.333 nan 8.210 nan 0.000 0.413 312 D N 0.424 120.695 120.400 -0.215 0.000 2.092 312 D HA -0.265 4.375 4.640 -0.001 0.000 0.193 312 D C 2.079 178.299 176.300 -0.134 0.000 0.994 312 D CA 1.568 55.484 54.000 -0.138 0.000 0.828 312 D CB -0.015 40.726 40.800 -0.098 0.000 0.963 312 D HN 0.399 nan 8.370 nan 0.000 0.450 313 E N -0.949 119.151 120.200 -0.166 0.000 2.072 313 E HA -0.164 4.185 4.350 -0.001 0.000 0.191 313 E C 2.058 178.570 176.600 -0.146 0.000 0.985 313 E CA 0.891 57.230 56.400 -0.102 0.000 0.801 313 E CB -0.012 29.683 29.700 -0.008 0.000 0.750 313 E HN 0.099 nan 8.360 nan 0.000 0.452 314 M N 0.758 120.188 119.600 -0.284 0.000 2.108 314 M HA -0.135 4.344 4.480 -0.001 0.000 0.261 314 M C 2.412 178.580 176.300 -0.221 0.000 1.066 314 M CA 1.443 56.516 55.300 -0.380 0.000 1.107 314 M CB -1.103 31.131 32.600 -0.611 0.000 1.356 314 M HN 0.086 nan 8.290 nan 0.000 0.406 315 S N 0.494 116.097 115.700 -0.163 0.000 2.368 315 S HA -0.110 4.359 4.470 -0.001 0.000 0.225 315 S C 1.810 176.388 174.600 -0.037 0.000 1.030 315 S CA 1.116 59.267 58.200 -0.082 0.000 0.999 315 S CB -0.237 62.920 63.200 -0.071 0.000 0.844 315 S HN 0.485 nan 8.310 nan 0.000 0.459 316 K N 0.886 121.263 120.400 -0.039 0.000 2.209 316 K HA -0.041 4.278 4.320 -0.001 0.000 0.204 316 K C 2.031 178.640 176.600 0.016 0.000 1.048 316 K CA 0.917 57.201 56.287 -0.006 0.000 0.940 316 K CB -0.091 32.408 32.500 -0.002 0.000 0.729 316 K HN 0.080 nan 8.250 nan 0.000 0.451 317 K N 1.069 121.475 120.400 0.011 0.000 2.116 317 K HA -0.084 4.236 4.320 -0.001 0.000 0.203 317 K C 2.004 178.679 176.600 0.126 0.000 1.052 317 K CA 0.756 57.086 56.287 0.070 0.000 0.952 317 K CB -0.036 32.502 32.500 0.064 0.000 0.729 317 K HN 0.113 nan 8.250 nan 0.000 0.446 318 V N -1.370 118.614 119.914 0.117 0.000 2.379 318 V HA -0.054 4.065 4.120 -0.001 0.000 0.245 318 V C 2.034 178.166 176.094 0.064 0.000 1.044 318 V CA 1.732 64.106 62.300 0.124 0.000 1.036 318 V CB -0.927 30.965 31.823 0.114 0.000 0.664 318 V HN 0.182 nan 8.190 nan 0.000 0.453 319 A N 0.061 122.906 122.820 0.042 0.000 1.908 319 A HA -0.262 4.057 4.320 -0.001 0.000 0.218 319 A C 2.252 179.855 177.584 0.032 0.000 1.181 319 A CA 2.182 54.236 52.037 0.028 0.000 0.627 319 A CB -0.775 18.236 19.000 0.019 0.000 0.818 319 A HN 0.737 nan 8.150 nan 0.000 0.445 320 E N -0.405 119.819 120.200 0.040 0.000 2.051 320 E HA -0.152 4.197 4.350 -0.001 0.000 0.192 320 E C 1.913 178.535 176.600 0.037 0.000 0.991 320 E CA 1.230 57.655 56.400 0.040 0.000 0.799 320 E CB -0.196 29.534 29.700 0.050 0.000 0.748 320 E HN 0.627 nan 8.360 nan 0.000 0.449 321 L N 0.144 121.393 121.223 0.044 0.000 2.093 321 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 321 L C 2.641 179.517 176.870 0.010 0.000 1.085 321 L CA 0.947 55.802 54.840 0.025 0.000 0.755 321 L CB -0.255 41.815 42.059 0.019 0.000 0.904 321 L HN 0.049 nan 8.230 nan 0.000 0.435 322 R N -0.429 120.080 120.500 0.015 0.000 2.070 322 R HA -0.204 4.135 4.340 -0.001 0.000 0.232 322 R C 2.335 178.641 176.300 0.009 0.000 1.138 322 R CA 1.589 57.694 56.100 0.009 0.000 0.936 322 R CB -0.559 29.749 30.300 0.013 0.000 0.839 322 R HN 0.368 nan 8.270 nan 0.000 0.429 323 Q N 0.970 120.779 119.800 0.015 0.000 2.096 323 Q HA -0.225 4.114 4.340 -0.001 0.000 0.208 323 Q C 1.975 177.983 176.000 0.014 0.000 0.993 323 Q CA 1.656 57.468 55.803 0.015 0.000 0.862 323 Q CB -0.101 28.649 28.738 0.019 0.000 0.915 323 Q HN 0.202 nan 8.270 nan 0.000 0.416 324 L N 0.325 121.556 121.223 0.013 0.000 2.083 324 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 324 L C 2.582 179.455 176.870 0.005 0.000 1.083 324 L CA 1.303 56.149 54.840 0.011 0.000 0.752 324 L CB -1.152 40.914 42.059 0.012 0.000 0.899 324 L HN 0.379 nan 8.230 nan 0.000 0.433 325 C N -1.574 117.726 119.300 -0.000 0.000 2.492 325 C HA -0.018 4.441 4.460 -0.001 0.000 0.279 325 C C 2.913 177.902 174.990 -0.001 0.000 1.335 325 C CA 0.683 59.697 59.018 -0.007 0.000 1.734 325 C CB -0.815 26.914 27.740 -0.018 0.000 2.027 325 C HN 0.681 nan 8.230 nan 0.000 0.496 326 S N 0.679 116.380 115.700 0.003 0.000 2.547 326 S HA -0.033 4.437 4.470 -0.001 0.000 0.235 326 S C 0.727 175.335 174.600 0.012 0.000 0.980 326 S CA 0.437 58.641 58.200 0.007 0.000 0.941 326 S CB -0.471 62.734 63.200 0.009 0.000 0.763 326 S HN 0.478 nan 8.310 nan 0.000 0.532 327 S N 1.418 117.127 115.700 0.014 0.000 2.568 327 S HA 0.540 5.010 4.470 -0.001 0.000 0.282 327 S C 1.581 176.195 174.600 0.023 0.000 1.338 327 S CA 0.017 58.229 58.200 0.021 0.000 1.045 327 S CB 0.837 64.050 63.200 0.021 0.000 0.873 327 S HN 0.642 nan 8.310 nan 0.000 0.516 328 A N 3.566 126.406 122.820 0.033 0.000 1.842 328 A HA 0.051 4.370 4.320 -0.001 0.000 0.217 328 A C 1.151 178.754 177.584 0.032 0.000 1.206 328 A CA 1.848 53.905 52.037 0.033 0.000 0.630 328 A CB -1.211 17.817 19.000 0.046 0.000 0.839 328 A HN 0.948 nan 8.150 nan 0.000 0.447 329 E N -0.338 119.888 120.200 0.042 0.000 2.151 329 E HA 0.563 4.913 4.350 -0.001 0.000 0.275 329 E C -0.771 175.846 176.600 0.029 0.000 0.936 329 E CA -0.522 55.900 56.400 0.036 0.000 0.777 329 E CB 1.124 30.853 29.700 0.048 0.000 1.108 329 E HN 0.476 nan 8.360 nan 0.000 0.401 330 V N 2.574 122.501 119.914 0.020 0.000 2.649 330 V HA 0.233 4.352 4.120 -0.001 0.000 0.292 330 V C 0.147 176.251 176.094 0.017 0.000 1.055 330 V CA -0.595 61.714 62.300 0.016 0.000 1.023 330 V CB 1.759 33.587 31.823 0.009 0.000 0.992 330 V HN 0.892 nan 8.190 nan 0.000 0.480 331 D N 4.194 124.603 120.400 0.015 0.000 2.411 331 D HA 0.169 4.808 4.640 -0.001 0.000 0.225 331 D C 0.739 177.051 176.300 0.020 0.000 1.156 331 D CA -0.165 53.845 54.000 0.016 0.000 0.874 331 D CB 1.100 41.907 40.800 0.013 0.000 1.034 331 D HN 0.559 nan 8.370 nan 0.000 0.502 332 M N 4.168 123.782 119.600 0.023 0.000 2.084 332 M HA -0.214 4.266 4.480 -0.001 0.000 0.259 332 M C 1.301 177.627 176.300 0.043 0.000 1.072 332 M CA 1.330 56.648 55.300 0.031 0.000 1.107 332 M CB 0.012 32.632 32.600 0.033 0.000 1.299 332 M HN 0.377 nan 8.290 nan 0.000 0.413 333 I N 0.858 121.454 120.570 0.042 0.000 2.103 333 I HA -0.400 3.770 4.170 -0.001 0.000 0.241 333 I C 2.359 178.504 176.117 0.047 0.000 1.036 333 I CA 2.025 63.353 61.300 0.046 0.000 1.300 333 I CB -1.810 36.207 38.000 0.029 0.000 1.010 333 I HN 0.471 nan 8.210 nan 0.000 0.406 334 K N 0.333 120.754 120.400 0.035 0.000 2.148 334 K HA -0.183 4.136 4.320 -0.001 0.000 0.204 334 K C 2.194 178.816 176.600 0.037 0.000 1.050 334 K CA 0.911 57.218 56.287 0.034 0.000 0.942 334 K CB -0.125 32.390 32.500 0.025 0.000 0.724 334 K HN 0.177 nan 8.250 nan 0.000 0.446 335 L N 1.486 122.728 121.223 0.033 0.000 2.027 335 L HA -0.187 4.152 4.340 -0.001 0.000 0.206 335 L C 2.119 179.010 176.870 0.035 0.000 1.074 335 L CA 1.654 56.510 54.840 0.025 0.000 0.745 335 L CB -0.392 41.674 42.059 0.013 0.000 0.898 335 L HN 0.225 nan 8.230 nan 0.000 0.433 336 Q N -0.611 119.225 119.800 0.060 0.000 2.096 336 Q HA -0.261 4.078 4.340 -0.001 0.000 0.204 336 Q C 2.318 178.389 176.000 0.118 0.000 0.982 336 Q CA 2.006 57.873 55.803 0.107 0.000 0.850 336 Q CB -0.593 28.265 28.738 0.200 0.000 0.901 336 Q HN 0.557 nan 8.270 nan 0.000 0.422 337 L N 1.277 122.557 121.223 0.094 0.000 1.990 337 L HA -0.242 4.097 4.340 -0.001 0.000 0.213 337 L C 2.152 179.069 176.870 0.078 0.000 1.072 337 L CA 1.776 56.666 54.840 0.083 0.000 0.755 337 L CB -0.163 41.931 42.059 0.058 0.000 0.889 337 L HN 0.007 nan 8.230 nan 0.000 0.432 338 K N -0.571 119.868 120.400 0.065 0.000 2.103 338 K HA -0.106 4.213 4.320 -0.001 0.000 0.204 338 K C 2.046 178.688 176.600 0.070 0.000 1.052 338 K CA 1.480 57.807 56.287 0.066 0.000 0.945 338 K CB -0.765 31.769 32.500 0.056 0.000 0.722 338 K HN 0.318 nan 8.250 nan 0.000 0.443 339 L N 1.771 123.021 121.223 0.044 0.000 1.988 339 L HA -0.130 4.209 4.340 -0.001 0.000 0.207 339 L C 2.544 179.434 176.870 0.034 0.000 1.071 339 L CA 1.790 56.639 54.840 0.013 0.000 0.744 339 L CB -0.866 41.169 42.059 -0.041 0.000 0.893 339 L HN 0.207 nan 8.230 nan 0.000 0.433 340 Q N -0.533 119.297 119.800 0.050 0.000 2.133 340 Q HA -0.211 4.128 4.340 -0.001 0.000 0.208 340 Q C 1.838 177.897 176.000 0.099 0.000 0.991 340 Q CA 1.905 57.758 55.803 0.084 0.000 0.867 340 Q CB -0.551 28.294 28.738 0.179 0.000 0.911 340 Q HN 0.691 nan 8.270 nan 0.000 0.417 341 G N -1.190 107.670 108.800 0.100 0.000 2.744 341 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.211 341 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.211 341 G C 1.075 176.052 174.900 0.129 0.000 1.143 341 G CA 0.594 45.755 45.100 0.101 0.000 0.788 341 G HN 0.292 nan 8.290 nan 0.000 0.534 342 S N -0.366 115.430 115.700 0.160 0.000 2.452 342 S HA 0.001 4.471 4.470 -0.001 0.000 0.225 342 S C 2.417 177.176 174.600 0.264 0.000 1.057 342 S CA 0.898 59.261 58.200 0.273 0.000 0.949 342 S CB 0.160 63.568 63.200 0.347 0.000 0.836 342 S HN 0.395 nan 8.310 nan 0.000 0.518 343 V N -0.839 119.173 119.914 0.163 0.000 2.949 343 V HA 0.310 4.430 4.120 -0.001 0.000 0.245 343 V C 0.612 176.772 176.094 0.110 0.000 1.086 343 V CA 0.540 62.928 62.300 0.146 0.000 1.097 343 V CB -0.163 31.735 31.823 0.125 0.000 0.762 343 V HN 0.265 nan 8.190 nan 0.000 0.470 344 S N 1.513 117.267 115.700 0.091 0.000 2.460 344 S HA 0.495 4.964 4.470 -0.001 0.000 0.211 344 S C -0.106 174.544 174.600 0.083 0.000 1.312 344 S CA -0.282 57.967 58.200 0.083 0.000 1.256 344 S CB 0.447 63.697 63.200 0.083 0.000 1.086 344 S HN 0.287 nan 8.310 nan 0.000 0.507 345 V N 2.822 122.784 119.914 0.079 0.000 2.479 345 V HA 0.067 4.187 4.120 -0.001 0.000 0.281 345 V C 1.018 177.141 176.094 0.047 0.000 1.031 345 V CA 0.442 62.780 62.300 0.064 0.000 1.038 345 V CB 0.841 32.699 31.823 0.059 0.000 0.981 345 V HN 0.678 nan 8.190 nan 0.000 0.478 346 Q N 3.252 123.077 119.800 0.043 0.000 2.287 346 Q HA 0.021 4.360 4.340 -0.001 0.000 0.201 346 Q C 1.636 177.649 176.000 0.020 0.000 0.946 346 Q CA 0.563 56.386 55.803 0.032 0.000 0.868 346 Q CB 0.304 29.063 28.738 0.034 0.000 0.967 346 Q HN 0.718 nan 8.270 nan 0.000 0.516 347 V N 0.673 120.598 119.914 0.019 0.000 2.490 347 V HA -0.011 4.108 4.120 -0.001 0.000 0.238 347 V C 0.682 176.777 176.094 0.003 0.000 1.056 347 V CA 0.733 63.039 62.300 0.011 0.000 1.075 347 V CB -0.361 31.469 31.823 0.012 0.000 0.746 347 V HN 0.224 nan 8.190 nan 0.000 0.479 348 N N 0.088 118.790 118.700 0.002 0.000 2.327 348 N HA 0.393 5.132 4.740 -0.001 0.000 0.257 348 N C 1.158 176.652 175.510 -0.027 0.000 1.281 348 N CA 0.365 53.407 53.050 -0.013 0.000 0.942 348 N CB 0.442 38.922 38.487 -0.011 0.000 1.199 348 N HN 0.237 nan 8.380 nan 0.000 0.532 349 A N 0.088 122.874 122.820 -0.056 0.000 2.067 349 A HA 0.230 4.550 4.320 -0.001 0.000 0.219 349 A C 0.958 178.499 177.584 -0.070 0.000 1.158 349 A CA 1.166 53.157 52.037 -0.076 0.000 0.661 349 A CB -1.170 17.757 19.000 -0.122 0.000 0.801 349 A HN 0.916 nan 8.150 nan 0.000 0.452 350 G N -1.945 106.819 108.800 -0.061 0.000 2.721 350 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.686 350 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.686 350 G C -1.327 173.543 174.900 -0.049 0.000 1.236 350 G CA -0.346 44.743 45.100 -0.019 0.000 0.786 350 G HN 0.086 nan 8.290 nan 0.000 0.616 351 P HA -0.121 nan 4.420 nan 0.000 0.217 351 P C 2.312 179.756 177.300 0.241 0.000 1.151 351 P CA 1.323 64.478 63.100 0.092 0.000 0.849 351 P CB 0.046 31.815 31.700 0.114 0.000 0.787 352 L N -1.271 120.044 121.223 0.153 0.000 2.187 352 L HA -0.178 4.161 4.340 -0.001 0.000 0.213 352 L C 2.448 179.325 176.870 0.012 0.000 1.100 352 L CA 1.340 56.224 54.840 0.072 0.000 0.765 352 L CB -1.161 40.913 42.059 0.026 0.000 0.904 352 L HN -0.031 nan 8.230 nan 0.000 0.437 353 A N -0.645 122.149 122.820 -0.044 0.000 1.978 353 A HA -0.229 4.090 4.320 -0.001 0.000 0.220 353 A C 2.005 179.568 177.584 -0.035 0.000 1.170 353 A CA 1.420 53.394 52.037 -0.106 0.000 0.636 353 A CB -0.644 18.237 19.000 -0.199 0.000 0.810 353 A HN 0.342 nan 8.150 nan 0.000 0.448 354 Y N -0.196 120.188 120.300 0.139 0.000 2.200 354 Y HA -0.046 4.503 4.550 -0.001 0.000 0.290 354 Y C 2.933 178.952 175.900 0.199 0.000 1.137 354 Y CA 0.343 58.614 58.100 0.285 0.000 1.163 354 Y CB -1.046 37.680 38.460 0.442 0.000 0.988 354 Y HN 0.322 nan 8.280 nan 0.000 0.518 355 A N 0.407 123.294 122.820 0.113 0.000 1.883 355 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 355 A C 2.342 179.868 177.584 -0.097 0.000 1.186 355 A CA 1.905 53.814 52.037 -0.212 0.000 0.624 355 A CB -0.636 18.042 19.000 -0.536 0.000 0.822 355 A HN 0.417 nan 8.150 nan 0.000 0.444 356 R N -0.570 119.877 120.500 -0.088 0.000 2.091 356 R HA -0.090 4.249 4.340 -0.001 0.000 0.238 356 R C 2.402 178.630 176.300 -0.121 0.000 1.136 356 R CA 1.337 57.379 56.100 -0.097 0.000 0.959 356 R CB -0.462 29.782 30.300 -0.094 0.000 0.856 356 R HN 0.511 nan 8.270 nan 0.000 0.437 357 A N -0.164 122.549 122.820 -0.178 0.000 2.014 357 A HA -0.044 4.275 4.320 -0.001 0.000 0.218 357 A C 1.482 178.757 177.584 -0.515 0.000 1.163 357 A CA 1.040 52.823 52.037 -0.424 0.000 0.652 357 A CB -0.085 18.511 19.000 -0.675 0.000 0.808 357 A HN 0.221 nan 8.150 nan 0.000 0.449 358 F N -2.162 117.807 119.950 0.031 0.000 2.592 358 F HA 0.282 4.808 4.527 -0.001 0.000 0.280 358 F C 1.013 176.815 175.800 0.004 0.000 1.083 358 F CA 0.005 58.020 58.000 0.025 0.000 1.365 358 F CB 0.216 39.243 39.000 0.044 0.000 1.100 358 F HN -0.023 nan 8.300 nan 0.000 0.633 359 L N 0.378 121.640 121.223 0.064 0.000 2.728 359 L HA 0.164 4.503 4.340 -0.001 0.000 0.235 359 L C -0.521 176.331 176.870 -0.031 0.000 1.197 359 L CA 0.045 54.889 54.840 0.006 0.000 0.992 359 L CB -1.434 40.578 42.059 -0.079 0.000 1.263 359 L HN -0.076 nan 8.230 nan 0.000 0.484 360 D N 0.522 120.909 120.400 -0.021 0.000 2.295 360 D HA 0.357 4.997 4.640 -0.001 0.000 0.248 360 D C 0.693 177.001 176.300 0.013 0.000 1.154 360 D CA 0.385 54.368 54.000 -0.028 0.000 0.857 360 D CB 0.910 41.688 40.800 -0.038 0.000 1.117 360 D HN 0.406 nan 8.370 nan 0.000 0.468 370 N N 1.512 120.218 118.700 0.011 0.000 2.724 370 N HA -0.113 4.626 4.740 -0.001 0.000 0.198 370 N C 1.460 176.972 175.510 0.004 0.000 1.301 370 N CA 0.539 53.596 53.050 0.011 0.000 0.942 370 N CB 0.059 38.554 38.487 0.012 0.000 1.033 370 N HN 0.403 nan 8.380 nan 0.000 0.447 371 K N -0.872 119.524 120.400 -0.007 0.000 2.487 371 K HA 0.054 4.373 4.320 -0.001 0.000 0.192 371 K C 0.934 177.519 176.600 -0.026 0.000 1.027 371 K CA 0.299 56.574 56.287 -0.020 0.000 1.054 371 K CB 0.089 32.567 32.500 -0.036 0.000 0.824 371 K HN -0.047 nan 8.250 nan 0.000 0.510 372 V N 1.977 121.887 119.914 -0.006 0.000 2.380 372 V HA -0.328 3.792 4.120 -0.001 0.000 0.251 372 V C 3.078 179.187 176.094 0.024 0.000 1.063 372 V CA 2.603 64.911 62.300 0.014 0.000 1.055 372 V CB -1.038 30.809 31.823 0.040 0.000 0.657 372 V HN 0.687 nan 8.190 nan 0.000 0.455 373 K N 0.133 120.545 120.400 0.020 0.000 2.015 373 K HA -0.275 4.044 4.320 -0.001 0.000 0.216 373 K C 2.132 178.748 176.600 0.027 0.000 1.052 373 K CA 2.303 58.606 56.287 0.026 0.000 0.937 373 K CB -1.238 31.273 32.500 0.019 0.000 0.719 373 K HN 0.394 nan 8.250 nan 0.000 0.446 374 L N 0.255 121.483 121.223 0.009 0.000 2.042 374 L HA -0.055 4.284 4.340 -0.001 0.000 0.210 374 L C 2.430 179.307 176.870 0.010 0.000 1.076 374 L CA 2.070 56.911 54.840 0.002 0.000 0.749 374 L CB -0.550 41.497 42.059 -0.021 0.000 0.893 374 L HN 0.460 nan 8.230 nan 0.000 0.432 375 L N -0.453 120.775 121.223 0.009 0.000 2.083 375 L HA -0.205 4.134 4.340 -0.001 0.000 0.209 375 L C 2.406 179.388 176.870 0.187 0.000 1.083 375 L CA 1.763 56.636 54.840 0.055 0.000 0.752 375 L CB -0.840 41.242 42.059 0.039 0.000 0.899 375 L HN 0.283 nan 8.230 nan 0.000 0.433 376 K N -0.248 120.235 120.400 0.139 0.000 2.002 376 K HA -0.194 4.125 4.320 -0.001 0.000 0.209 376 K C 2.136 178.831 176.600 0.159 0.000 1.048 376 K CA 1.794 58.172 56.287 0.153 0.000 0.930 376 K CB -0.445 32.107 32.500 0.085 0.000 0.714 376 K HN 0.573 nan 8.250 nan 0.000 0.438 377 E N 1.283 121.542 120.200 0.099 0.000 2.026 377 E HA -0.209 4.140 4.350 -0.001 0.000 0.206 377 E C 2.112 178.769 176.600 0.094 0.000 1.028 377 E CA 2.237 58.685 56.400 0.080 0.000 0.845 377 E CB -1.385 28.342 29.700 0.045 0.000 0.772 377 E HN 0.121 nan 8.360 nan 0.000 0.462 378 V N -0.044 119.904 119.914 0.058 0.000 2.277 378 V HA -0.280 3.839 4.120 -0.001 0.000 0.253 378 V C 2.466 178.589 176.094 0.048 0.000 1.067 378 V CA 2.376 64.681 62.300 0.008 0.000 1.047 378 V CB -0.749 31.016 31.823 -0.097 0.000 0.649 378 V HN 0.595 nan 8.190 nan 0.000 0.447 379 F N 0.248 120.243 119.950 0.075 0.000 2.202 379 F HA -0.147 4.379 4.527 -0.001 0.000 0.301 379 F C 2.509 178.419 175.800 0.184 0.000 1.082 379 F CA 1.562 59.651 58.000 0.148 0.000 1.313 379 F CB -0.396 38.665 39.000 0.101 0.000 1.024 379 F HN 0.039 nan 8.300 nan 0.000 0.495 380 R N -0.225 120.444 120.500 0.282 0.000 2.073 380 R HA -0.201 4.138 4.340 -0.001 0.000 0.234 380 R C 2.121 178.517 176.300 0.161 0.000 1.134 380 R CA 1.803 58.016 56.100 0.188 0.000 0.952 380 R CB -0.602 29.773 30.300 0.125 0.000 0.850 380 R HN 0.371 nan 8.270 nan 0.000 0.433 381 Q N -0.473 119.410 119.800 0.139 0.000 2.167 381 Q HA -0.155 4.184 4.340 -0.001 0.000 0.202 381 Q C 1.818 177.900 176.000 0.137 0.000 0.970 381 Q CA 1.211 57.080 55.803 0.108 0.000 0.855 381 Q CB -0.144 28.641 28.738 0.078 0.000 0.911 381 Q HN 0.268 nan 8.270 nan 0.000 0.438 382 F N 0.640 120.609 119.950 0.031 0.000 2.102 382 F HA -0.199 4.327 4.527 -0.001 0.000 0.298 382 F C 1.882 177.748 175.800 0.109 0.000 1.105 382 F CA 1.073 59.089 58.000 0.027 0.000 1.239 382 F CB -0.268 38.693 39.000 -0.065 0.000 0.991 382 F HN -0.206 nan 8.300 nan 0.000 0.474 383 V N 0.748 120.686 119.914 0.040 0.000 2.343 383 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 383 V C 2.766 178.901 176.094 0.068 0.000 1.051 383 V CA 2.376 64.688 62.300 0.020 0.000 1.036 383 V CB -1.692 30.206 31.823 0.125 0.000 0.654 383 V HN 0.550 nan 8.190 nan 0.000 0.451 384 E N 0.258 120.488 120.200 0.051 0.000 2.028 384 E HA -0.198 4.152 4.350 -0.001 0.000 0.191 384 E C 2.290 178.869 176.600 -0.035 0.000 0.988 384 E CA 1.773 58.191 56.400 0.030 0.000 0.799 384 E CB -1.028 28.695 29.700 0.038 0.000 0.755 384 E HN 0.678 nan 8.360 nan 0.000 0.447 385 A N 0.302 123.091 122.820 -0.051 0.000 1.892 385 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 385 A C 2.677 180.165 177.584 -0.159 0.000 1.188 385 A CA 1.938 53.927 52.037 -0.080 0.000 0.631 385 A CB -1.237 17.742 19.000 -0.035 0.000 0.822 385 A HN 0.667 nan 8.150 nan 0.000 0.447 386 C N -1.094 118.045 119.300 -0.268 0.000 2.425 386 C HA 0.024 4.484 4.460 -0.001 0.000 0.277 386 C C 2.986 177.731 174.990 -0.407 0.000 1.280 386 C CA 0.425 59.254 59.018 -0.316 0.000 1.744 386 C CB -1.748 25.789 27.740 -0.337 0.000 1.989 386 C HN 0.734 nan 8.230 nan 0.000 0.491 387 G N -0.092 108.484 108.800 -0.374 0.000 2.480 387 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.216 387 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.216 387 G C 1.910 176.641 174.900 -0.281 0.000 1.200 387 G CA 1.809 46.643 45.100 -0.443 0.000 0.782 387 G HN 0.619 nan 8.290 nan 0.000 0.554 388 Q N 0.292 119.992 119.800 -0.166 0.000 2.096 388 Q HA 0.130 4.469 4.340 -0.001 0.000 0.204 388 Q C 2.880 178.803 176.000 -0.129 0.000 0.982 388 Q CA 2.662 58.396 55.803 -0.116 0.000 0.850 388 Q CB -1.059 27.636 28.738 -0.071 0.000 0.901 388 Q HN 0.860 nan 8.270 nan 0.000 0.422 389 A N 0.313 123.045 122.820 -0.147 0.000 1.908 389 A HA -0.036 4.284 4.320 -0.001 0.000 0.218 389 A C 2.452 179.942 177.584 -0.156 0.000 1.181 389 A CA 1.597 53.556 52.037 -0.130 0.000 0.627 389 A CB -0.477 18.448 19.000 -0.125 0.000 0.818 389 A HN 0.606 nan 8.150 nan 0.000 0.445 390 L N -0.756 120.326 121.223 -0.235 0.000 1.994 390 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 390 L C 3.145 179.917 176.870 -0.164 0.000 1.071 390 L CA 1.319 56.017 54.840 -0.237 0.000 0.745 390 L CB -0.626 41.214 42.059 -0.364 0.000 0.892 390 L HN 0.428 nan 8.230 nan 0.000 0.431 391 A N -0.306 122.421 122.820 -0.155 0.000 1.884 391 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 391 A C 2.342 179.882 177.584 -0.074 0.000 1.197 391 A CA 2.385 54.362 52.037 -0.100 0.000 0.637 391 A CB -1.156 17.794 19.000 -0.084 0.000 0.827 391 A HN 0.204 nan 8.150 nan 0.000 0.450 392 V N 0.766 120.637 119.914 -0.071 0.000 2.252 392 V HA -0.310 3.809 4.120 -0.001 0.000 0.249 392 V C 2.471 178.538 176.094 -0.044 0.000 1.056 392 V CA 2.509 64.780 62.300 -0.049 0.000 1.022 392 V CB -1.166 30.631 31.823 -0.043 0.000 0.641 392 V HN 0.756 nan 8.190 nan 0.000 0.445 393 N N 0.040 118.704 118.700 -0.060 0.000 2.205 393 N HA -0.215 4.525 4.740 -0.001 0.000 0.186 393 N C 1.755 177.240 175.510 -0.043 0.000 1.015 393 N CA 1.648 54.668 53.050 -0.050 0.000 0.862 393 N CB -0.206 38.235 38.487 -0.077 0.000 0.986 393 N HN 0.547 nan 8.380 nan 0.000 0.429 394 E N -0.197 119.970 120.200 -0.055 0.000 2.097 394 E HA -0.167 4.182 4.350 -0.001 0.000 0.196 394 E C 2.120 178.707 176.600 -0.022 0.000 1.000 394 E CA 2.174 58.549 56.400 -0.042 0.000 0.804 394 E CB -0.230 29.441 29.700 -0.048 0.000 0.740 394 E HN 0.448 nan 8.360 nan 0.000 0.454 395 R N 0.245 120.733 120.500 -0.021 0.000 2.276 395 R HA 0.120 4.460 4.340 -0.001 0.000 0.203 395 R C 2.076 178.375 176.300 -0.003 0.000 1.017 395 R CA 1.303 57.397 56.100 -0.011 0.000 1.010 395 R CB -0.902 29.391 30.300 -0.012 0.000 0.900 395 R HN 0.279 nan 8.270 nan 0.000 0.469 396 L N 0.283 121.505 121.223 -0.001 0.000 2.515 396 L HA 0.341 4.680 4.340 -0.001 0.000 0.223 396 L C 1.280 178.160 176.870 0.018 0.000 1.079 396 L CA -0.214 54.631 54.840 0.009 0.000 0.857 396 L CB -0.420 41.645 42.059 0.010 0.000 1.050 396 L HN 0.399 nan 8.230 nan 0.000 0.476 397 I N -1.097 119.485 120.570 0.019 0.000 2.692 397 I HA 0.034 4.203 4.170 -0.001 0.000 0.284 397 I C 0.581 176.715 176.117 0.029 0.000 1.159 397 I CA 0.084 61.405 61.300 0.035 0.000 1.423 397 I CB 0.595 38.620 38.000 0.041 0.000 1.380 397 I HN 0.060 nan 8.210 nan 0.000 0.580 398 K N 3.911 124.332 120.400 0.035 0.000 2.965 398 K HA 0.289 4.608 4.320 -0.001 0.000 0.216 398 K C 0.803 177.419 176.600 0.027 0.000 1.164 398 K CA 0.923 57.226 56.287 0.026 0.000 1.153 398 K CB -0.184 32.329 32.500 0.023 0.000 1.045 398 K HN 1.004 nan 8.250 nan 0.000 0.460 399 E N 0.326 120.544 120.200 0.030 0.000 4.540 399 E HA -0.358 3.991 4.350 -0.001 0.000 0.175 399 E C 0.823 177.444 176.600 0.036 0.000 1.236 399 E CA 1.804 58.221 56.400 0.029 0.000 2.396 399 E CB -2.467 27.245 29.700 0.020 0.000 1.797 399 E HN 0.803 nan 8.360 nan 0.000 0.437 400 D N 1.695 122.113 120.400 0.031 0.000 2.315 400 D HA -0.163 4.477 4.640 -0.001 0.000 0.211 400 D C 1.611 177.938 176.300 0.044 0.000 0.977 400 D CA 1.918 55.935 54.000 0.028 0.000 0.894 400 D CB -0.286 40.523 40.800 0.015 0.000 0.910 400 D HN 0.823 nan 8.370 nan 0.000 0.490 401 Q N -0.284 119.560 119.800 0.073 0.000 2.790 401 Q HA 0.392 4.732 4.340 -0.001 0.000 0.390 401 Q C 2.478 178.551 176.000 0.122 0.000 1.110 401 Q CA 0.609 56.498 55.803 0.144 0.000 0.493 401 Q CB -0.530 28.346 28.738 0.231 0.000 4.965 401 Q HN 0.200 nan 8.270 nan 0.000 0.328 402 L N -0.653 120.629 121.223 0.100 0.000 3.419 402 L HA -0.450 3.890 4.340 -0.001 0.000 0.211 402 L C 1.940 178.843 176.870 0.054 0.000 4.425 402 L CA 3.303 58.174 54.840 0.053 0.000 0.584 402 L CB -2.280 39.803 42.059 0.040 0.000 3.534 402 L HN 0.652 nan 8.230 nan 0.000 0.751 403 E N -1.860 118.385 120.200 0.075 0.000 2.012 403 E HA -0.253 4.096 4.350 -0.001 0.000 0.197 403 E C 2.016 178.684 176.600 0.114 0.000 1.007 403 E CA 1.848 58.294 56.400 0.077 0.000 0.816 403 E CB -0.314 29.430 29.700 0.073 0.000 0.762 403 E HN 1.251 nan 8.360 nan 0.000 0.451 404 Y N 1.790 122.094 120.300 0.008 0.000 2.029 404 Y HA -0.392 4.157 4.550 -0.001 0.000 0.269 404 Y C 2.404 178.308 175.900 0.008 0.000 1.201 404 Y CA 2.694 60.799 58.100 0.009 0.000 1.115 404 Y CB -1.045 37.419 38.460 0.007 0.000 0.945 404 Y HN 0.206 nan 8.280 nan 0.000 0.497 405 Q N 0.227 119.948 119.800 -0.131 0.000 2.135 405 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 405 Q C 2.052 177.973 176.000 -0.132 0.000 0.981 405 Q CA 2.191 57.857 55.803 -0.229 0.000 0.856 405 Q CB -0.463 28.207 28.738 -0.114 0.000 0.902 405 Q HN 0.536 nan 8.270 nan 0.000 0.425 406 E N 0.273 120.443 120.200 -0.049 0.000 2.031 406 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 406 E C 1.761 178.352 176.600 -0.016 0.000 0.994 406 E CA 1.500 57.887 56.400 -0.021 0.000 0.800 406 E CB -0.374 29.330 29.700 0.006 0.000 0.752 406 E HN 0.511 nan 8.360 nan 0.000 0.447 407 E N 0.046 120.243 120.200 -0.005 0.000 2.049 407 E HA -0.216 4.133 4.350 -0.001 0.000 0.198 407 E C 2.040 178.634 176.600 -0.010 0.000 1.007 407 E CA 1.979 58.384 56.400 0.010 0.000 0.809 407 E CB -0.293 29.434 29.700 0.045 0.000 0.749 407 E HN 0.309 nan 8.360 nan 0.000 0.450 408 M N -0.308 119.246 119.600 -0.077 0.000 2.149 408 M HA -0.195 4.284 4.480 -0.001 0.000 0.261 408 M C 2.580 178.873 176.300 -0.011 0.000 1.064 408 M CA 2.367 57.619 55.300 -0.080 0.000 1.102 408 M CB -0.524 31.944 32.600 -0.221 0.000 1.369 408 M HN 0.221 nan 8.290 nan 0.000 0.408 409 K N 0.592 120.976 120.400 -0.028 0.000 2.002 409 K HA -0.001 4.318 4.320 -0.001 0.000 0.209 409 K C 2.112 178.776 176.600 0.106 0.000 1.048 409 K CA 1.756 58.064 56.287 0.034 0.000 0.930 409 K CB -1.523 30.973 32.500 -0.006 0.000 0.714 409 K HN 0.489 nan 8.250 nan 0.000 0.438 410 A N 2.033 124.885 122.820 0.054 0.000 1.883 410 A HA -0.261 4.059 4.320 -0.001 0.000 0.217 410 A C 2.236 179.851 177.584 0.052 0.000 1.186 410 A CA 1.990 54.055 52.037 0.048 0.000 0.624 410 A CB -0.605 18.413 19.000 0.029 0.000 0.822 410 A HN 0.639 nan 8.150 nan 0.000 0.444 411 N N -1.333 117.402 118.700 0.058 0.000 2.104 411 N HA -0.193 4.547 4.740 -0.001 0.000 0.190 411 N C 1.582 177.140 175.510 0.080 0.000 1.024 411 N CA 1.827 54.913 53.050 0.061 0.000 0.853 411 N CB -0.721 37.804 38.487 0.063 0.000 1.008 411 N HN 0.726 nan 8.380 nan 0.000 0.424 412 Y N 1.698 121.988 120.300 -0.018 0.000 2.181 412 Y HA -0.204 4.345 4.550 -0.001 0.000 0.288 412 Y C 2.727 178.619 175.900 -0.014 0.000 1.146 412 Y CA 2.711 60.797 58.100 -0.025 0.000 1.164 412 Y CB -0.592 37.835 38.460 -0.055 0.000 0.982 412 Y HN 0.060 nan 8.280 nan 0.000 0.515 413 R N 0.679 121.115 120.500 -0.106 0.000 2.082 413 R HA -0.153 4.186 4.340 -0.001 0.000 0.234 413 R C 2.274 178.476 176.300 -0.164 0.000 1.136 413 R CA 2.855 58.848 56.100 -0.179 0.000 0.935 413 R CB -2.123 28.166 30.300 -0.019 0.000 0.842 413 R HN 0.637 nan 8.270 nan 0.000 0.430 414 E N 0.874 121.028 120.200 -0.077 0.000 2.086 414 E HA -0.280 4.069 4.350 -0.001 0.000 0.200 414 E C 2.059 178.614 176.600 -0.074 0.000 1.012 414 E CA 2.422 58.788 56.400 -0.055 0.000 0.812 414 E CB -0.646 29.043 29.700 -0.019 0.000 0.743 414 E HN 0.820 nan 8.360 nan 0.000 0.453 415 M N -0.028 119.524 119.600 -0.081 0.000 2.117 415 M HA 0.001 4.480 4.480 -0.001 0.000 0.262 415 M C 2.667 178.907 176.300 -0.100 0.000 1.065 415 M CA 2.225 57.493 55.300 -0.054 0.000 1.114 415 M CB -0.190 32.416 32.600 0.010 0.000 1.361 415 M HN 0.395 nan 8.290 nan 0.000 0.408 416 A N 0.992 123.674 122.820 -0.231 0.000 1.883 416 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 416 A C 2.369 179.873 177.584 -0.133 0.000 1.186 416 A CA 3.044 54.945 52.037 -0.226 0.000 0.624 416 A CB -1.423 17.340 19.000 -0.396 0.000 0.822 416 A HN 0.643 nan 8.150 nan 0.000 0.444 417 K N 0.071 120.398 120.400 -0.122 0.000 2.020 417 K HA -0.242 4.078 4.320 -0.001 0.000 0.212 417 K C 1.937 178.493 176.600 -0.073 0.000 1.050 417 K CA 2.295 58.534 56.287 -0.080 0.000 0.929 417 K CB -1.043 31.419 32.500 -0.064 0.000 0.714 417 K HN 0.783 nan 8.250 nan 0.000 0.443 418 E N -0.007 120.150 120.200 -0.072 0.000 2.058 418 E HA -0.119 4.231 4.350 -0.001 0.000 0.194 418 E C 2.108 178.646 176.600 -0.102 0.000 0.997 418 E CA 1.137 57.492 56.400 -0.075 0.000 0.801 418 E CB -0.172 29.492 29.700 -0.060 0.000 0.746 418 E HN 0.492 nan 8.360 nan 0.000 0.450 419 L N 0.540 121.703 121.223 -0.101 0.000 2.265 419 L HA -0.153 4.186 4.340 -0.001 0.000 0.215 419 L C 2.270 179.061 176.870 -0.132 0.000 1.117 419 L CA 0.927 55.687 54.840 -0.134 0.000 0.782 419 L CB -0.101 41.904 42.059 -0.090 0.000 0.914 419 L HN 0.207 nan 8.230 nan 0.000 0.441 420 S N -0.626 115.012 115.700 -0.103 0.000 2.362 420 S HA -0.132 4.337 4.470 -0.001 0.000 0.221 420 S C 1.624 176.138 174.600 -0.144 0.000 1.032 420 S CA 0.701 58.846 58.200 -0.091 0.000 0.973 420 S CB -0.088 63.083 63.200 -0.050 0.000 0.849 420 S HN 0.441 nan 8.310 nan 0.000 0.465 421 E N 0.839 120.962 120.200 -0.127 0.000 2.187 421 E HA -0.181 4.168 4.350 -0.001 0.000 0.199 421 E C 1.668 178.078 176.600 -0.318 0.000 1.004 421 E CA 1.256 57.569 56.400 -0.145 0.000 0.813 421 E CB -0.338 29.306 29.700 -0.092 0.000 0.736 421 E HN 0.540 nan 8.360 nan 0.000 0.468 422 I N -0.452 119.929 120.570 -0.315 0.000 2.512 422 I HA -0.096 4.074 4.170 -0.001 0.000 0.247 422 I C 2.267 178.110 176.117 -0.457 0.000 1.094 422 I CA 0.545 61.630 61.300 -0.358 0.000 1.427 422 I CB 0.015 37.876 38.000 -0.232 0.000 1.149 422 I HN 0.014 nan 8.210 nan 0.000 0.438 423 M N 0.095 119.512 119.600 -0.304 0.000 2.618 423 M HA 0.051 4.530 4.480 -0.001 0.000 0.240 423 M C -0.298 175.949 176.300 -0.089 0.000 1.123 423 M CA 0.361 55.560 55.300 -0.168 0.000 1.060 423 M CB -0.055 32.497 32.600 -0.079 0.000 1.535 423 M HN 0.243 nan 8.290 nan 0.000 0.507 424 H N 1.454 120.513 119.070 -0.019 0.000 2.499 424 H HA -0.154 4.401 4.556 -0.001 0.000 0.321 424 H C -0.581 174.744 175.328 -0.006 0.000 1.026 424 H CA 0.843 56.883 56.048 -0.012 0.000 1.077 424 H CB -1.755 28.001 29.762 -0.009 0.000 1.612 424 H HN 0.550 nan 8.280 nan 0.000 0.374 425 E N -1.304 118.928 120.200 0.053 0.000 2.454 425 E HA 0.454 4.803 4.350 -0.001 0.000 0.279 425 E C 0.797 177.410 176.600 0.021 0.000 1.029 425 E CA -0.132 56.292 56.400 0.041 0.000 0.831 425 E CB 0.721 30.441 29.700 0.034 0.000 1.405 425 E HN 0.346 nan 8.360 nan 0.000 0.463 426 Q N 0.055 119.868 119.800 0.022 0.000 0.662 426 Q HA 0.460 4.800 4.340 -0.001 0.000 0.907 426 Q C 1.167 177.169 176.000 0.004 0.000 0.852 426 Q CA 1.768 57.579 55.803 0.014 0.000 0.879 426 Q CB -1.374 27.375 28.738 0.019 0.000 1.239 426 Q HN 1.460 nan 8.270 nan 0.000 0.143 427 L N 0.000 121.229 121.223 0.010 0.000 2.949 427 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 427 L CA 0.000 54.843 54.840 0.005 0.000 0.813 427 L CB 0.000 42.063 42.059 0.007 0.000 0.961 427 L HN 0.000 nan 8.230 nan 0.000 0.502