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 3ifg_1_M DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.866 174.900 -0.057 0.000 0.946 3 G CA 0.000 45.056 45.100 -0.073 0.000 0.502 4 S N 1.637 117.307 115.700 -0.050 0.000 3.122 4 S HA 0.585 5.055 4.470 -0.000 0.000 0.249 4 S C 0.458 175.035 174.600 -0.038 0.000 1.334 4 S CA -0.157 58.020 58.200 -0.039 0.000 1.251 4 S CB -0.655 62.526 63.200 -0.031 0.000 1.034 4 S HN 0.320 nan 8.310 nan 0.000 0.478 5 M N 1.014 120.588 119.600 -0.044 0.000 2.294 5 M HA 0.410 4.890 4.480 -0.000 0.000 0.335 5 M C 0.737 177.018 176.300 -0.033 0.000 1.079 5 M CA -0.790 54.485 55.300 -0.042 0.000 0.982 5 M CB 1.918 34.483 32.600 -0.057 0.000 1.651 5 M HN -0.010 nan 8.290 nan 0.000 0.437 6 K N 0.872 121.258 120.400 -0.024 0.000 2.127 6 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 6 K C 0.248 176.840 176.600 -0.014 0.000 1.047 6 K CA 1.477 57.754 56.287 -0.016 0.000 0.927 6 K CB -0.002 32.492 32.500 -0.011 0.000 0.716 6 K HN 0.506 nan 8.250 nan 0.000 0.450 7 D N -1.554 118.838 120.400 -0.015 0.000 2.375 7 D HA 0.183 4.823 4.640 -0.000 0.000 0.259 7 D C -2.412 173.867 176.300 -0.034 0.000 1.235 7 D CA -2.245 51.751 54.000 -0.008 0.000 0.924 7 D CB 1.198 42.013 40.800 0.024 0.000 1.143 7 D HN -0.187 nan 8.370 nan 0.000 0.529 8 P HA -0.029 nan 4.420 nan 0.000 0.237 8 P C 1.110 178.323 177.300 -0.144 0.000 1.178 8 P CA 0.488 63.532 63.100 -0.095 0.000 0.766 8 P CB 0.197 31.849 31.700 -0.081 0.000 0.876 9 S N -1.254 114.363 115.700 -0.139 0.000 2.522 9 S HA -0.003 4.467 4.470 -0.000 0.000 0.227 9 S C 1.734 176.047 174.600 -0.478 0.000 0.986 9 S CA 0.364 58.400 58.200 -0.274 0.000 0.929 9 S CB -1.297 61.796 63.200 -0.179 0.000 0.769 9 S HN 0.100 nan 8.310 nan 0.000 0.529 10 L N 0.042 121.120 121.223 -0.241 0.000 2.093 10 L HA 0.135 4.475 4.340 -0.000 0.000 0.208 10 L C 1.088 177.797 176.870 -0.269 0.000 1.085 10 L CA 0.529 55.257 54.840 -0.186 0.000 0.755 10 L CB -0.497 41.552 42.059 -0.017 0.000 0.904 10 L HN 0.344 nan 8.230 nan 0.000 0.435 11 L N 1.941 122.990 121.223 -0.289 0.000 2.515 11 L HA 0.094 4.433 4.340 -0.000 0.000 0.281 11 L C 0.222 176.828 176.870 -0.440 0.000 1.131 11 L CA 0.350 54.968 54.840 -0.370 0.000 0.905 11 L CB -0.177 41.631 42.059 -0.418 0.000 1.246 11 L HN 0.034 nan 8.230 nan 0.000 0.463 12 R N 3.815 124.101 120.500 -0.357 0.000 2.536 12 R HA 0.354 4.694 4.340 -0.000 0.000 0.279 12 R C 0.060 176.196 176.300 -0.274 0.000 1.001 12 R CA -0.526 55.354 56.100 -0.367 0.000 1.027 12 R CB 0.858 30.935 30.300 -0.372 0.000 1.096 12 R HN 0.594 nan 8.270 nan 0.000 0.502 13 H N -0.078 118.995 119.070 0.005 0.000 3.078 13 H HA 0.265 4.821 4.556 -0.000 0.000 0.263 13 H C -0.111 175.241 175.328 0.039 0.000 1.177 13 H CA 0.011 56.093 56.048 0.057 0.000 1.128 13 H CB 1.636 31.408 29.762 0.018 0.000 1.623 13 H HN 0.402 nan 8.280 nan 0.000 0.592 14 Q N 0.143 120.049 119.800 0.177 0.000 2.378 14 Q HA 0.728 5.068 4.340 -0.000 0.000 0.276 14 Q C -0.631 175.610 176.000 0.402 0.000 1.083 14 Q CA -0.957 54.998 55.803 0.254 0.000 0.856 14 Q CB 3.065 31.980 28.738 0.295 0.000 1.383 14 Q HN 0.200 nan 8.270 nan 0.000 0.458 15 A N 0.460 123.467 122.820 0.312 0.000 2.299 15 A HA 0.479 4.798 4.320 -0.000 0.000 0.332 15 A C -1.766 175.861 177.584 0.071 0.000 1.131 15 A CA -0.335 51.835 52.037 0.221 0.000 0.844 15 A CB 0.664 19.725 19.000 0.101 0.000 1.251 15 A HN 0.671 nan 8.150 nan 0.000 0.486 16 Y N 2.308 122.393 120.300 -0.360 0.000 2.700 16 Y HA 0.431 4.981 4.550 -0.000 0.000 0.333 16 Y C -0.733 174.935 175.900 -0.387 0.000 1.036 16 Y CA -1.508 56.163 58.100 -0.714 0.000 1.287 16 Y CB 0.338 38.222 38.460 -0.959 0.000 1.132 16 Y HN 0.352 nan 8.280 nan 0.000 0.510 17 I N 4.519 124.820 120.570 -0.448 0.000 2.307 17 I HA 0.319 4.489 4.170 -0.000 0.000 0.289 17 I C 1.177 177.006 176.117 -0.480 0.000 1.021 17 I CA -0.549 60.535 61.300 -0.361 0.000 1.224 17 I CB 0.619 38.507 38.000 -0.186 0.000 1.376 17 I HN 0.826 nan 8.210 nan 0.000 0.470 18 G N 4.878 113.388 108.800 -0.484 0.000 2.155 18 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.257 18 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.257 18 G C 0.995 175.604 174.900 -0.484 0.000 0.983 18 G CA 0.564 45.428 45.100 -0.395 0.000 0.676 18 G HN 1.575 nan 8.290 nan 0.000 0.528 19 G N -1.582 106.676 108.800 -0.903 0.000 2.238 19 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.217 19 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.217 19 G C -0.002 174.554 174.900 -0.573 0.000 0.996 19 G CA 0.807 45.448 45.100 -0.766 0.000 0.632 19 G HN 1.029 nan 8.290 nan 0.000 0.503 20 E N -0.195 119.692 120.200 -0.523 0.000 2.175 20 E HA 0.561 4.911 4.350 -0.000 0.000 0.278 20 E C -0.578 175.900 176.600 -0.203 0.000 0.969 20 E CA -0.703 55.574 56.400 -0.206 0.000 0.796 20 E CB 0.492 30.132 29.700 -0.101 0.000 1.104 20 E HN 0.309 nan 8.360 nan 0.000 0.395 21 W N 2.862 124.248 121.300 0.143 0.000 2.356 21 W HA 0.261 4.921 4.660 -0.000 0.000 0.311 21 W C 0.189 176.756 176.519 0.080 0.000 1.328 21 W CA -0.084 57.364 57.345 0.172 0.000 1.251 21 W CB 0.667 30.235 29.460 0.179 0.000 1.280 21 W HN 0.262 nan 8.180 nan 0.000 0.524 22 Q N 2.133 122.086 119.800 0.254 0.000 2.315 22 Q HA 0.648 4.988 4.340 -0.000 0.000 0.273 22 Q C -0.419 175.662 176.000 0.135 0.000 1.053 22 Q CA -0.854 55.032 55.803 0.138 0.000 0.817 22 Q CB 2.499 31.264 28.738 0.045 0.000 1.326 22 Q HN 0.567 nan 8.270 nan 0.000 0.423 23 A N 1.214 124.095 122.820 0.102 0.000 2.246 23 A HA 0.833 5.153 4.320 -0.000 0.000 0.291 23 A C -0.254 177.364 177.584 0.057 0.000 1.103 23 A CA -0.068 52.016 52.037 0.078 0.000 0.844 23 A CB 0.396 19.433 19.000 0.063 0.000 1.136 23 A HN 0.775 nan 8.150 nan 0.000 0.500 24 A N -0.410 122.441 122.820 0.051 0.000 2.425 24 A HA 0.299 4.619 4.320 -0.000 0.000 0.242 24 A C 0.765 178.370 177.584 0.035 0.000 1.077 24 A CA 0.145 52.208 52.037 0.044 0.000 0.781 24 A CB -0.092 18.940 19.000 0.052 0.000 1.020 24 A HN 0.792 nan 8.150 nan 0.000 0.494 25 D N 0.707 121.124 120.400 0.027 0.000 2.190 25 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 25 D C 2.099 178.413 176.300 0.023 0.000 0.992 25 D CA 2.148 56.161 54.000 0.021 0.000 0.854 25 D CB 0.055 40.864 40.800 0.016 0.000 0.936 25 D HN 0.653 nan 8.370 nan 0.000 0.462 26 S N -1.138 114.579 115.700 0.027 0.000 2.535 26 S HA -0.005 4.465 4.470 -0.000 0.000 0.214 26 S C 0.730 175.348 174.600 0.030 0.000 0.980 26 S CA 0.206 58.422 58.200 0.027 0.000 0.907 26 S CB 0.684 63.902 63.200 0.030 0.000 0.790 26 S HN 0.022 nan 8.310 nan 0.000 0.510 27 D N 0.430 120.850 120.400 0.033 0.000 2.946 27 D HA -0.161 4.479 4.640 -0.000 0.000 0.202 27 D C 0.459 176.782 176.300 0.038 0.000 1.068 27 D CA 1.103 55.123 54.000 0.033 0.000 1.011 27 D CB -1.644 39.172 40.800 0.025 0.000 1.105 27 D HN 0.753 nan 8.370 nan 0.000 0.425 28 A N 0.618 123.467 122.820 0.047 0.000 2.520 28 A HA 0.425 4.745 4.320 -0.000 0.000 0.235 28 A C 1.028 178.661 177.584 0.081 0.000 1.065 28 A CA 1.363 53.438 52.037 0.063 0.000 0.764 28 A CB 0.458 19.499 19.000 0.068 0.000 1.002 28 A HN 0.370 nan 8.150 nan 0.000 0.502 29 T N -1.243 113.369 114.554 0.097 0.000 2.812 29 T HA 0.761 5.111 4.350 -0.000 0.000 0.294 29 T C -0.630 174.186 174.700 0.193 0.000 1.159 29 T CA -0.348 61.804 62.100 0.088 0.000 1.008 29 T CB 1.301 70.174 68.868 0.009 0.000 1.289 29 T HN 1.541 nan 8.240 nan 0.000 0.514 30 F N -1.258 118.706 119.950 0.024 0.000 2.601 30 F HA 0.849 5.376 4.527 -0.000 0.000 0.309 30 F C -0.445 175.369 175.800 0.023 0.000 1.089 30 F CA -1.220 56.800 58.000 0.034 0.000 0.940 30 F CB 1.429 40.452 39.000 0.039 0.000 1.273 30 F HN 0.803 nan 8.300 nan 0.000 0.450 31 E N 1.369 121.672 120.200 0.173 0.000 2.374 31 E HA 0.592 4.942 4.350 -0.000 0.000 0.260 31 E C -1.258 175.352 176.600 0.017 0.000 1.101 31 E CA -0.709 55.679 56.400 -0.019 0.000 0.907 31 E CB 1.585 31.269 29.700 -0.026 0.000 1.014 31 E HN 0.596 nan 8.360 nan 0.000 0.427 32 V N 3.181 122.987 119.914 -0.181 0.000 2.715 32 V HA 0.481 4.601 4.120 -0.000 0.000 0.310 32 V C -0.857 175.082 176.094 -0.258 0.000 1.054 32 V CA -0.689 61.593 62.300 -0.029 0.000 0.928 32 V CB 1.231 33.082 31.823 0.047 0.000 1.007 32 V HN 0.526 nan 8.190 nan 0.000 0.437 33 F N 0.798 120.808 119.950 0.100 0.000 2.551 33 F HA 0.410 4.937 4.527 -0.000 0.000 0.316 33 F C 0.137 175.951 175.800 0.023 0.000 1.089 33 F CA -0.712 57.321 58.000 0.056 0.000 0.915 33 F CB 1.684 40.705 39.000 0.035 0.000 1.186 33 F HN 0.445 nan 8.300 nan 0.000 0.456 34 D N 4.643 125.145 120.400 0.170 0.000 2.339 34 D HA 0.130 4.770 4.640 -0.000 0.000 0.256 34 D C -1.695 174.607 176.300 0.004 0.000 1.214 34 D CA -1.707 52.329 54.000 0.059 0.000 0.877 34 D CB 1.612 42.422 40.800 0.017 0.000 1.111 34 D HN 0.188 nan 8.370 nan 0.000 0.478 35 P HA 0.005 nan 4.420 nan 0.000 0.237 35 P C 0.576 177.740 177.300 -0.226 0.000 1.178 35 P CA 0.306 63.331 63.100 -0.124 0.000 0.766 35 P CB 0.422 32.026 31.700 -0.161 0.000 0.876 36 A N -0.032 122.679 122.820 -0.182 0.000 2.115 36 A HA 0.086 4.406 4.320 -0.000 0.000 0.211 36 A C 1.956 179.500 177.584 -0.066 0.000 1.169 36 A CA 1.564 53.549 52.037 -0.087 0.000 0.787 36 A CB -0.761 18.312 19.000 0.121 0.000 0.858 36 A HN 0.329 nan 8.150 nan 0.000 0.474 37 T N -6.506 107.898 114.554 -0.249 0.000 2.954 37 T HA 0.415 4.765 4.350 -0.000 0.000 0.252 37 T C 1.447 175.850 174.700 -0.494 0.000 0.983 37 T CA 1.165 63.076 62.100 -0.314 0.000 0.941 37 T CB 0.297 69.120 68.868 -0.075 0.000 1.141 37 T HN 1.639 nan 8.240 nan 0.000 0.500 38 G N 2.484 111.076 108.800 -0.346 0.000 2.184 38 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.264 38 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.264 38 G C -0.071 174.972 174.900 0.239 0.000 0.975 38 G CA 0.442 45.537 45.100 -0.009 0.000 0.642 38 G HN 1.139 nan 8.290 nan 0.000 0.536 39 E N 0.196 120.480 120.200 0.139 0.000 2.408 39 E HA 0.462 4.812 4.350 -0.000 0.000 0.259 39 E C 0.286 176.953 176.600 0.113 0.000 1.110 39 E CA 0.159 56.638 56.400 0.132 0.000 0.929 39 E CB 0.861 30.584 29.700 0.038 0.000 0.971 39 E HN 0.339 nan 8.360 nan 0.000 0.438 40 S N 1.440 117.122 115.700 -0.030 0.000 2.405 40 S HA 0.228 4.698 4.470 -0.000 0.000 0.291 40 S C 0.582 175.048 174.600 -0.224 0.000 1.137 40 S CA -0.226 57.764 58.200 -0.350 0.000 1.061 40 S CB -0.129 62.917 63.200 -0.257 0.000 1.001 40 S HN 0.609 nan 8.310 nan 0.000 0.507 41 L N 3.605 124.694 121.223 -0.223 0.000 2.645 41 L HA 0.634 4.974 4.340 -0.000 0.000 0.234 41 L C 1.322 178.203 176.870 0.018 0.000 1.165 41 L CA 0.478 55.269 54.840 -0.082 0.000 0.944 41 L CB -1.806 40.245 42.059 -0.014 0.000 1.149 41 L HN 1.256 nan 8.230 nan 0.000 0.446 42 G N -1.391 107.382 108.800 -0.045 0.000 2.483 42 G HA2 0.311 4.271 3.960 -0.000 0.000 0.521 42 G HA3 0.311 4.271 3.960 -0.000 0.000 0.521 42 G C -0.084 174.830 174.900 0.024 0.000 1.278 42 G CA 0.274 45.378 45.100 0.008 0.000 0.965 42 G HN 1.877 nan 8.290 nan 0.000 0.504 43 T N -2.557 112.002 114.554 0.008 0.000 2.932 43 T HA 0.941 5.291 4.350 -0.000 0.000 0.289 43 T C 0.193 174.888 174.700 -0.008 0.000 1.039 43 T CA 0.164 62.227 62.100 -0.062 0.000 1.024 43 T CB 1.734 70.545 68.868 -0.095 0.000 1.090 43 T HN 2.259 nan 8.240 nan 0.000 0.496 44 V N -1.972 117.755 119.914 -0.312 0.000 3.040 44 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 44 V C -3.149 172.750 176.094 -0.324 0.000 1.115 44 V CA -3.210 58.889 62.300 -0.335 0.000 0.998 44 V CB 1.324 32.800 31.823 -0.579 0.000 1.042 44 V HN 0.750 nan 8.190 nan 0.000 0.433 45 P HA 0.263 nan 4.420 nan 0.000 0.270 45 P C -1.039 176.324 177.300 0.105 0.000 1.223 45 P CA -0.167 62.931 63.100 -0.002 0.000 0.785 45 P CB 0.401 32.127 31.700 0.045 0.000 0.923 46 K N 2.379 122.886 120.400 0.179 0.000 2.484 46 K HA 0.335 4.655 4.320 -0.000 0.000 0.226 46 K C -0.262 176.423 176.600 0.142 0.000 1.031 46 K CA -0.181 56.264 56.287 0.265 0.000 1.026 46 K CB -0.023 32.641 32.500 0.275 0.000 1.412 46 K HN 0.465 nan 8.250 nan 0.000 0.492 47 M N 0.315 119.990 119.600 0.124 0.000 2.369 47 M HA 0.453 4.933 4.480 -0.000 0.000 0.291 47 M C 0.823 177.155 176.300 0.054 0.000 1.178 47 M CA -0.343 55.001 55.300 0.073 0.000 0.996 47 M CB 1.469 34.104 32.600 0.060 0.000 1.472 47 M HN 0.650 nan 8.290 nan 0.000 0.496 48 G N -0.863 107.957 108.800 0.033 0.000 3.000 48 G HA2 0.532 4.492 3.960 -0.000 0.000 0.170 48 G HA3 0.532 4.492 3.960 -0.000 0.000 0.170 48 G C 0.283 175.190 174.900 0.011 0.000 1.160 48 G CA 0.164 45.276 45.100 0.021 0.000 0.945 48 G HN 0.708 nan 8.290 nan 0.000 0.593 49 A N -0.166 122.658 122.820 0.006 0.000 1.883 49 A HA 0.213 4.533 4.320 -0.000 0.000 0.217 49 A C 2.726 180.308 177.584 -0.003 0.000 1.186 49 A CA 3.351 55.388 52.037 0.000 0.000 0.624 49 A CB -1.141 17.858 19.000 -0.001 0.000 0.822 49 A HN 1.587 nan 8.150 nan 0.000 0.444 50 A N -0.364 122.455 122.820 -0.001 0.000 1.898 50 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 50 A C 1.887 179.464 177.584 -0.010 0.000 1.181 50 A CA 1.848 53.882 52.037 -0.004 0.000 0.620 50 A CB -0.521 18.478 19.000 -0.001 0.000 0.819 50 A HN 0.550 nan 8.150 nan 0.000 0.442 51 E N -0.417 119.779 120.200 -0.007 0.000 2.077 51 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 51 E C 2.061 178.645 176.600 -0.027 0.000 0.989 51 E CA 1.729 58.119 56.400 -0.017 0.000 0.800 51 E CB -0.591 29.105 29.700 -0.007 0.000 0.746 51 E HN 0.558 nan 8.360 nan 0.000 0.452 52 T N 0.721 115.265 114.554 -0.018 0.000 2.720 52 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 52 T C 1.994 176.676 174.700 -0.029 0.000 1.037 52 T CA 1.401 63.488 62.100 -0.022 0.000 1.144 52 T CB -0.423 68.439 68.868 -0.010 0.000 0.864 52 T HN 0.303 nan 8.240 nan 0.000 0.444 53 A N 1.633 124.439 122.820 -0.024 0.000 1.902 53 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 53 A C 2.398 179.962 177.584 -0.032 0.000 1.181 53 A CA 1.352 53.374 52.037 -0.025 0.000 0.623 53 A CB -0.498 18.491 19.000 -0.017 0.000 0.818 53 A HN 0.367 nan 8.150 nan 0.000 0.443 54 R N -0.749 119.730 120.500 -0.036 0.000 2.081 54 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 54 R C 2.494 178.754 176.300 -0.067 0.000 1.131 54 R CA 1.252 57.324 56.100 -0.047 0.000 0.960 54 R CB -0.436 29.835 30.300 -0.048 0.000 0.856 54 R HN 0.528 nan 8.270 nan 0.000 0.436 55 A N 0.957 123.731 122.820 -0.076 0.000 1.930 55 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 55 A C 2.113 179.643 177.584 -0.090 0.000 1.175 55 A CA 1.142 53.117 52.037 -0.103 0.000 0.627 55 A CB -0.386 18.553 19.000 -0.101 0.000 0.815 55 A HN 0.183 nan 8.150 nan 0.000 0.443 56 I N -0.840 119.690 120.570 -0.066 0.000 2.202 56 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 56 I C 2.476 178.563 176.117 -0.049 0.000 1.091 56 I CA 1.666 62.931 61.300 -0.059 0.000 1.368 56 I CB -0.251 37.722 38.000 -0.045 0.000 1.058 56 I HN 0.349 nan 8.210 nan 0.000 0.410 57 E N 0.503 120.679 120.200 -0.040 0.000 2.153 57 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 57 E C 2.197 178.779 176.600 -0.030 0.000 0.988 57 E CA 1.191 57.575 56.400 -0.026 0.000 0.811 57 E CB -0.062 29.625 29.700 -0.022 0.000 0.746 57 E HN 0.508 nan 8.360 nan 0.000 0.466 58 A N 0.600 123.386 122.820 -0.057 0.000 1.929 58 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 58 A C 2.306 179.851 177.584 -0.064 0.000 1.176 58 A CA 1.295 53.290 52.037 -0.071 0.000 0.628 58 A CB -0.533 18.396 19.000 -0.118 0.000 0.816 58 A HN 0.317 nan 8.150 nan 0.000 0.444 59 A N -0.612 122.163 122.820 -0.076 0.000 1.877 59 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 59 A C 2.206 179.785 177.584 -0.008 0.000 1.186 59 A CA 1.812 53.803 52.037 -0.076 0.000 0.620 59 A CB -0.608 18.328 19.000 -0.106 0.000 0.822 59 A HN 0.621 nan 8.150 nan 0.000 0.443 60 Q N -0.736 119.071 119.800 0.011 0.000 2.167 60 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 60 Q C 2.138 178.225 176.000 0.146 0.000 0.970 60 Q CA 1.211 57.071 55.803 0.096 0.000 0.855 60 Q CB -0.267 28.512 28.738 0.068 0.000 0.911 60 Q HN 0.620 nan 8.270 nan 0.000 0.438 61 A N 0.588 123.454 122.820 0.076 0.000 1.898 61 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 61 A C 2.171 179.809 177.584 0.090 0.000 1.181 61 A CA 1.457 53.534 52.037 0.066 0.000 0.620 61 A CB -0.645 18.368 19.000 0.021 0.000 0.819 61 A HN 0.489 nan 8.150 nan 0.000 0.442 62 A N -2.157 120.714 122.820 0.086 0.000 2.119 62 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 62 A C 1.773 179.503 177.584 0.243 0.000 1.152 62 A CA 1.106 53.203 52.037 0.101 0.000 0.708 62 A CB -0.656 18.346 19.000 0.004 0.000 0.805 62 A HN 0.768 nan 8.150 nan 0.000 0.460 63 W N 1.150 122.485 121.300 0.058 0.000 2.333 63 W HA -0.203 4.457 4.660 -0.000 0.000 0.316 63 W C 2.431 179.028 176.519 0.129 0.000 1.215 63 W CA 1.641 59.054 57.345 0.115 0.000 1.278 63 W CB -0.825 28.683 29.460 0.080 0.000 1.154 63 W HN 0.364 nan 8.180 nan 0.000 0.486 64 A N 0.530 123.386 122.820 0.060 0.000 1.903 64 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 64 A C 2.308 179.876 177.584 -0.027 0.000 1.191 64 A CA 2.665 54.634 52.037 -0.113 0.000 0.638 64 A CB -1.628 17.331 19.000 -0.067 0.000 0.823 64 A HN 0.425 nan 8.150 nan 0.000 0.451 65 G N -2.269 106.580 108.800 0.080 0.000 2.422 65 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 65 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 65 G C 1.521 176.531 174.900 0.185 0.000 1.140 65 G CA 0.787 45.951 45.100 0.106 0.000 0.775 65 G HN 0.698 nan 8.290 nan 0.000 0.545 66 W N 2.331 123.653 121.300 0.038 0.000 2.441 66 W HA -0.067 4.593 4.660 -0.000 0.000 0.302 66 W C 2.737 179.289 176.519 0.055 0.000 1.191 66 W CA 1.060 58.446 57.345 0.068 0.000 1.327 66 W CB 0.097 29.639 29.460 0.136 0.000 1.128 66 W HN 0.293 nan 8.180 nan 0.000 0.522 67 R N 0.330 120.846 120.500 0.026 0.000 2.237 67 R HA -0.137 4.203 4.340 -0.000 0.000 0.219 67 R C 2.018 178.213 176.300 -0.174 0.000 1.080 67 R CA 1.392 57.412 56.100 -0.133 0.000 0.995 67 R CB -0.955 29.247 30.300 -0.164 0.000 0.875 67 R HN 0.226 nan 8.270 nan 0.000 0.462 68 M N 1.396 120.915 119.600 -0.135 0.000 2.229 68 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 68 M C 0.031 176.257 176.300 -0.123 0.000 1.063 68 M CA 1.320 56.552 55.300 -0.113 0.000 1.114 68 M CB 0.236 32.793 32.600 -0.072 0.000 1.387 68 M HN 0.008 nan 8.290 nan 0.000 0.420 69 K N 1.609 121.909 120.400 -0.166 0.000 2.436 69 K HA 0.048 4.368 4.320 -0.000 0.000 0.275 69 K C 0.425 176.896 176.600 -0.215 0.000 0.999 69 K CA 0.232 56.400 56.287 -0.197 0.000 0.980 69 K CB 0.145 32.465 32.500 -0.300 0.000 0.919 69 K HN 0.313 nan 8.250 nan 0.000 0.484 70 T N -0.998 113.462 114.554 -0.157 0.000 2.802 70 T HA 0.108 4.458 4.350 -0.000 0.000 0.305 70 T C 1.465 176.061 174.700 -0.173 0.000 1.053 70 T CA -0.204 61.815 62.100 -0.136 0.000 1.058 70 T CB 1.100 69.912 68.868 -0.093 0.000 0.988 70 T HN 0.579 nan 8.240 nan 0.000 0.539 71 A N 0.945 123.682 122.820 -0.137 0.000 1.940 71 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 71 A C 2.420 179.940 177.584 -0.108 0.000 1.176 71 A CA 1.927 53.888 52.037 -0.127 0.000 0.631 71 A CB -0.934 18.015 19.000 -0.085 0.000 0.814 71 A HN 0.953 nan 8.150 nan 0.000 0.446 72 K N -0.521 119.826 120.400 -0.087 0.000 2.032 72 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 72 K C 2.025 178.590 176.600 -0.059 0.000 1.048 72 K CA 1.785 58.033 56.287 -0.064 0.000 0.927 72 K CB -0.169 32.300 32.500 -0.053 0.000 0.712 72 K HN 0.669 nan 8.250 nan 0.000 0.441 73 E N -0.126 120.025 120.200 -0.082 0.000 2.051 73 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 73 E C 2.138 178.692 176.600 -0.076 0.000 0.991 73 E CA 1.176 57.533 56.400 -0.072 0.000 0.799 73 E CB 0.052 29.697 29.700 -0.092 0.000 0.748 73 E HN 0.238 nan 8.360 nan 0.000 0.449 74 R N 0.357 120.741 120.500 -0.193 0.000 2.096 74 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 74 R C 2.382 178.704 176.300 0.037 0.000 1.127 74 R CA 1.004 56.982 56.100 -0.203 0.000 0.968 74 R CB -0.306 29.688 30.300 -0.510 0.000 0.861 74 R HN 0.101 nan 8.270 nan 0.000 0.440 75 A N 1.497 124.317 122.820 0.000 0.000 1.940 75 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 75 A C 2.392 180.017 177.584 0.069 0.000 1.176 75 A CA 1.710 53.770 52.037 0.037 0.000 0.631 75 A CB -0.572 18.419 19.000 -0.014 0.000 0.814 75 A HN 0.399 nan 8.150 nan 0.000 0.446 76 A N -0.082 122.771 122.820 0.056 0.000 1.877 76 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 76 A C 2.117 179.777 177.584 0.128 0.000 1.186 76 A CA 1.558 53.640 52.037 0.076 0.000 0.620 76 A CB -0.586 18.446 19.000 0.053 0.000 0.822 76 A HN 0.487 nan 8.150 nan 0.000 0.443 77 I N -0.199 120.467 120.570 0.159 0.000 2.179 77 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 77 I C 2.418 178.688 176.117 0.255 0.000 1.088 77 I CA 0.996 62.420 61.300 0.207 0.000 1.357 77 I CB -0.306 37.865 38.000 0.285 0.000 1.051 77 I HN 0.289 nan 8.210 nan 0.000 0.409 78 L N 0.264 121.663 121.223 0.293 0.000 2.012 78 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 78 L C 2.773 179.864 176.870 0.369 0.000 1.073 78 L CA 1.688 56.751 54.840 0.372 0.000 0.748 78 L CB -0.701 41.557 42.059 0.330 0.000 0.891 78 L HN 0.289 nan 8.230 nan 0.000 0.431 79 R N 0.064 120.715 120.500 0.252 0.000 2.120 79 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 79 R C 2.429 178.922 176.300 0.322 0.000 1.123 79 R CA 1.116 57.364 56.100 0.247 0.000 0.975 79 R CB -0.035 30.342 30.300 0.129 0.000 0.866 79 R HN 0.256 nan 8.270 nan 0.000 0.446 80 R N -0.801 119.857 120.500 0.262 0.000 2.075 80 R HA -0.183 4.157 4.340 -0.000 0.000 0.232 80 R C 1.892 178.365 176.300 0.288 0.000 1.126 80 R CA 1.594 57.830 56.100 0.227 0.000 0.963 80 R CB -0.446 29.954 30.300 0.166 0.000 0.858 80 R HN 0.324 nan 8.270 nan 0.000 0.435 81 W N 1.063 122.436 121.300 0.121 0.000 2.335 81 W HA -0.263 4.397 4.660 -0.000 0.000 0.311 81 W C 1.896 178.496 176.519 0.135 0.000 1.213 81 W CA 1.210 58.618 57.345 0.104 0.000 1.274 81 W CB -0.930 28.598 29.460 0.113 0.000 1.148 81 W HN 0.033 nan 8.180 nan 0.000 0.498 82 F N 1.885 121.895 119.950 0.100 0.000 2.091 82 F HA -0.298 4.229 4.527 -0.000 0.000 0.299 82 F C 2.108 177.896 175.800 -0.020 0.000 1.103 82 F CA 2.696 60.673 58.000 -0.038 0.000 1.228 82 F CB -0.807 38.206 39.000 0.022 0.000 0.984 82 F HN -0.229 nan 8.300 nan 0.000 0.477 83 D N 0.704 121.072 120.400 -0.053 0.000 2.123 83 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 83 D C 2.426 178.627 176.300 -0.165 0.000 0.992 83 D CA 1.767 55.670 54.000 -0.162 0.000 0.833 83 D CB -0.568 40.260 40.800 0.046 0.000 0.954 83 D HN 0.367 nan 8.370 nan 0.000 0.455 84 L N 0.237 121.428 121.223 -0.053 0.000 2.141 84 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 84 L C 2.532 179.357 176.870 -0.075 0.000 1.094 84 L CA 0.366 55.192 54.840 -0.023 0.000 0.763 84 L CB -0.163 41.939 42.059 0.073 0.000 0.908 84 L HN -0.077 nan 8.230 nan 0.000 0.437 85 V N -0.248 119.568 119.914 -0.164 0.000 2.307 85 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 85 V C 2.338 178.309 176.094 -0.205 0.000 1.045 85 V CA 1.343 63.524 62.300 -0.199 0.000 1.024 85 V CB -0.211 31.418 31.823 -0.324 0.000 0.651 85 V HN 0.277 nan 8.190 nan 0.000 0.449 86 I N 0.383 120.757 120.570 -0.326 0.000 2.394 86 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 86 I C 2.626 178.643 176.117 -0.167 0.000 1.136 86 I CA 1.726 62.853 61.300 -0.287 0.000 1.425 86 I CB -1.434 36.288 38.000 -0.465 0.000 1.079 86 I HN 0.302 nan 8.210 nan 0.000 0.425 87 A N 0.853 123.587 122.820 -0.143 0.000 1.877 87 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 87 A C 1.827 179.382 177.584 -0.050 0.000 1.186 87 A CA 1.455 53.446 52.037 -0.077 0.000 0.620 87 A CB -0.553 18.414 19.000 -0.055 0.000 0.822 87 A HN 0.428 nan 8.150 nan 0.000 0.443 88 N N 0.104 118.778 118.700 -0.043 0.000 2.313 88 N HA 0.009 4.749 4.740 -0.000 0.000 0.207 88 N C 1.438 176.935 175.510 -0.021 0.000 1.141 88 N CA 0.721 53.761 53.050 -0.017 0.000 0.830 88 N CB 0.283 38.779 38.487 0.014 0.000 1.008 88 N HN 0.540 nan 8.380 nan 0.000 0.481 89 S N 1.870 117.546 115.700 -0.041 0.000 2.380 89 S HA -0.232 4.238 4.470 -0.000 0.000 0.229 89 S C 1.421 176.012 174.600 -0.015 0.000 1.050 89 S CA 1.590 59.770 58.200 -0.033 0.000 1.100 89 S CB -0.101 63.075 63.200 -0.042 0.000 0.984 89 S HN 0.192 nan 8.310 nan 0.000 0.434 90 D N 1.491 121.882 120.400 -0.016 0.000 2.126 90 D HA -0.127 4.513 4.640 -0.000 0.000 0.190 90 D C 1.859 178.152 176.300 -0.011 0.000 1.001 90 D CA 1.747 55.740 54.000 -0.012 0.000 0.841 90 D CB -0.724 40.069 40.800 -0.013 0.000 0.949 90 D HN 0.563 nan 8.370 nan 0.000 0.446 91 D N 0.073 120.466 120.400 -0.012 0.000 2.084 91 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 91 D C 2.491 178.783 176.300 -0.012 0.000 0.985 91 D CA 0.406 54.396 54.000 -0.016 0.000 0.826 91 D CB -0.319 40.473 40.800 -0.014 0.000 0.978 91 D HN 0.241 nan 8.370 nan 0.000 0.456 92 L N 1.056 122.280 121.223 0.002 0.000 2.081 92 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 92 L C 2.621 179.500 176.870 0.015 0.000 1.080 92 L CA 1.237 56.086 54.840 0.016 0.000 0.754 92 L CB -0.528 41.545 42.059 0.023 0.000 0.893 92 L HN -0.016 nan 8.230 nan 0.000 0.433 93 A N -0.429 122.395 122.820 0.008 0.000 2.015 93 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 93 A C 2.212 179.796 177.584 -0.000 0.000 1.163 93 A CA 1.267 53.309 52.037 0.009 0.000 0.646 93 A CB -0.409 18.596 19.000 0.007 0.000 0.806 93 A HN 0.341 nan 8.150 nan 0.000 0.448 94 L N -0.421 120.796 121.223 -0.011 0.000 2.131 94 L HA 0.064 4.404 4.340 -0.000 0.000 0.206 94 L C 2.164 179.015 176.870 -0.032 0.000 1.087 94 L CA 1.248 56.075 54.840 -0.022 0.000 0.767 94 L CB -0.231 41.809 42.059 -0.031 0.000 0.917 94 L HN 0.397 nan 8.230 nan 0.000 0.441 95 I N -0.990 119.559 120.570 -0.035 0.000 2.226 95 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 95 I C 2.395 178.518 176.117 0.009 0.000 1.100 95 I CA 1.354 62.627 61.300 -0.045 0.000 1.374 95 I CB -0.306 37.669 38.000 -0.041 0.000 1.057 95 I HN 0.286 nan 8.210 nan 0.000 0.413 96 L N 0.105 121.343 121.223 0.025 0.000 2.017 96 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 96 L C 2.592 179.476 176.870 0.023 0.000 1.073 96 L CA 1.658 56.521 54.840 0.039 0.000 0.745 96 L CB -0.299 41.779 42.059 0.032 0.000 0.894 96 L HN 0.194 nan 8.230 nan 0.000 0.432 97 T N -1.305 113.253 114.554 0.007 0.000 2.867 97 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 97 T C 1.715 176.417 174.700 0.004 0.000 1.057 97 T CA 1.729 63.831 62.100 0.003 0.000 1.136 97 T CB -0.124 68.745 68.868 0.002 0.000 0.874 97 T HN 0.416 nan 8.240 nan 0.000 0.466 98 T N 2.149 116.702 114.554 -0.002 0.000 2.737 98 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 98 T C 1.943 176.654 174.700 0.019 0.000 1.038 98 T CA 1.488 63.583 62.100 -0.008 0.000 1.144 98 T CB -0.208 68.633 68.868 -0.045 0.000 0.866 98 T HN 0.736 nan 8.240 nan 0.000 0.434 99 E N 0.038 120.271 120.200 0.055 0.000 2.442 99 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 99 E C 2.072 178.715 176.600 0.072 0.000 1.030 99 E CA 0.451 56.919 56.400 0.113 0.000 0.869 99 E CB 0.111 29.956 29.700 0.241 0.000 0.857 99 E HN 0.298 nan 8.360 nan 0.000 0.505 100 Q N -0.431 119.393 119.800 0.040 0.000 2.360 100 Q HA 0.115 4.455 4.340 -0.000 0.000 0.261 100 Q C 1.126 177.115 176.000 -0.019 0.000 0.802 100 Q CA 1.160 56.979 55.803 0.026 0.000 0.983 100 Q CB 1.409 30.187 28.738 0.067 0.000 1.211 100 Q HN 0.404 nan 8.270 nan 0.000 0.523 101 G N 2.106 110.893 108.800 -0.022 0.000 2.253 101 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.209 101 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.209 101 G C 0.036 174.925 174.900 -0.018 0.000 0.997 101 G CA 0.198 45.272 45.100 -0.044 0.000 0.640 101 G HN 0.375 nan 8.290 nan 0.000 0.496 102 K N 1.297 121.685 120.400 -0.019 0.000 2.380 102 K HA 0.469 4.789 4.320 -0.000 0.000 0.267 102 K C -2.565 174.036 176.600 0.002 0.000 0.990 102 K CA -1.099 55.178 56.287 -0.017 0.000 0.946 102 K CB 0.350 32.811 32.500 -0.064 0.000 0.937 102 K HN 0.109 nan 8.250 nan 0.000 0.491 103 P HA -0.083 nan 4.420 nan 0.000 0.267 103 P C 0.751 178.057 177.300 0.009 0.000 1.200 103 P CA -0.101 63.010 63.100 0.019 0.000 0.772 103 P CB 0.449 32.162 31.700 0.022 0.000 0.855 104 L N 1.985 123.214 121.223 0.010 0.000 2.043 104 L HA -0.315 4.025 4.340 -0.000 0.000 0.212 104 L C 2.237 179.112 176.870 0.009 0.000 1.075 104 L CA 2.270 57.114 54.840 0.006 0.000 0.752 104 L CB -0.840 41.221 42.059 0.005 0.000 0.891 104 L HN 0.460 nan 8.230 nan 0.000 0.432 105 A N -0.379 122.448 122.820 0.011 0.000 1.940 105 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 105 A C 2.067 179.662 177.584 0.019 0.000 1.176 105 A CA 1.758 53.804 52.037 0.015 0.000 0.631 105 A CB -0.392 18.617 19.000 0.015 0.000 0.814 105 A HN 0.535 nan 8.150 nan 0.000 0.446 106 E N -0.273 119.935 120.200 0.014 0.000 2.152 106 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 106 E C 2.287 178.890 176.600 0.006 0.000 0.983 106 E CA 0.755 57.161 56.400 0.011 0.000 0.818 106 E CB -0.267 29.430 29.700 -0.006 0.000 0.758 106 E HN 0.616 nan 8.360 nan 0.000 0.467 107 A N 2.144 124.964 122.820 -0.001 0.000 1.873 107 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 107 A C 2.049 179.653 177.584 0.032 0.000 1.186 107 A CA 1.370 53.410 52.037 0.005 0.000 0.616 107 A CB -0.282 18.718 19.000 0.000 0.000 0.823 107 A HN 0.024 nan 8.150 nan 0.000 0.442 108 K N -0.686 119.731 120.400 0.028 0.000 2.097 108 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 108 K C 2.082 178.714 176.600 0.053 0.000 1.049 108 K CA 1.074 57.380 56.287 0.032 0.000 0.933 108 K CB -0.434 32.078 32.500 0.020 0.000 0.717 108 K HN 0.482 nan 8.250 nan 0.000 0.442 109 G N 1.213 110.049 108.800 0.060 0.000 2.421 109 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.216 109 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.216 109 G C 1.340 176.331 174.900 0.152 0.000 1.171 109 G CA 1.047 46.197 45.100 0.084 0.000 0.775 109 G HN 0.436 nan 8.290 nan 0.000 0.543 110 E N 0.059 120.362 120.200 0.171 0.000 2.085 110 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 110 E C 2.466 179.224 176.600 0.264 0.000 0.994 110 E CA 1.026 57.605 56.400 0.299 0.000 0.801 110 E CB -0.130 29.714 29.700 0.240 0.000 0.743 110 E HN 0.328 nan 8.360 nan 0.000 0.453 111 I N 1.356 122.014 120.570 0.146 0.000 2.226 111 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 111 I C 2.599 178.761 176.117 0.076 0.000 1.100 111 I CA 1.385 62.736 61.300 0.086 0.000 1.374 111 I CB -1.735 36.286 38.000 0.034 0.000 1.057 111 I HN 0.219 nan 8.210 nan 0.000 0.413 112 A N 0.201 123.076 122.820 0.092 0.000 1.902 112 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 112 A C 2.380 180.045 177.584 0.134 0.000 1.181 112 A CA 1.562 53.651 52.037 0.087 0.000 0.623 112 A CB -1.166 17.883 19.000 0.081 0.000 0.818 112 A HN 0.469 nan 8.150 nan 0.000 0.443 113 Y N 0.665 120.990 120.300 0.042 0.000 2.242 113 Y HA -0.038 4.512 4.550 -0.000 0.000 0.291 113 Y C 2.579 178.541 175.900 0.105 0.000 1.137 113 Y CA 0.950 59.066 58.100 0.026 0.000 1.181 113 Y CB -0.541 37.969 38.460 0.083 0.000 0.989 113 Y HN 0.304 nan 8.280 nan 0.000 0.527 114 A N 0.427 123.333 122.820 0.144 0.000 1.898 114 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 114 A C 2.449 180.067 177.584 0.056 0.000 1.181 114 A CA 1.837 53.934 52.037 0.100 0.000 0.620 114 A CB -1.465 17.585 19.000 0.084 0.000 0.819 114 A HN 0.567 nan 8.150 nan 0.000 0.442 115 A N 0.438 123.280 122.820 0.037 0.000 1.902 115 A HA -0.101 4.218 4.320 -0.000 0.000 0.217 115 A C 2.507 180.235 177.584 0.240 0.000 1.181 115 A CA 2.370 54.466 52.037 0.099 0.000 0.623 115 A CB -1.099 17.913 19.000 0.019 0.000 0.818 115 A HN 1.084 nan 8.150 nan 0.000 0.443 116 S N -0.919 114.832 115.700 0.085 0.000 2.402 116 S HA -0.196 4.274 4.470 -0.000 0.000 0.233 116 S C 1.675 176.207 174.600 -0.113 0.000 1.030 116 S CA 1.679 59.847 58.200 -0.053 0.000 1.003 116 S CB -0.755 62.308 63.200 -0.229 0.000 0.813 116 S HN 0.360 nan 8.310 nan 0.000 0.477 117 F N 1.582 121.532 119.950 -0.002 0.000 2.163 117 F HA 0.281 4.808 4.527 -0.000 0.000 0.297 117 F C 2.215 178.177 175.800 0.271 0.000 1.094 117 F CA 0.253 58.313 58.000 0.100 0.000 1.290 117 F CB -0.501 38.526 39.000 0.044 0.000 1.017 117 F HN 0.175 nan 8.300 nan 0.000 0.483 118 I N -0.249 120.520 120.570 0.332 0.000 2.226 118 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 118 I C 2.479 178.721 176.117 0.209 0.000 1.100 118 I CA 1.556 63.021 61.300 0.275 0.000 1.374 118 I CB -0.475 37.568 38.000 0.071 0.000 1.057 118 I HN 0.183 nan 8.210 nan 0.000 0.413 119 E N 0.975 121.200 120.200 0.041 0.000 2.031 119 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 119 E C 2.205 178.743 176.600 -0.104 0.000 0.994 119 E CA 1.499 57.740 56.400 -0.265 0.000 0.800 119 E CB -0.326 28.965 29.700 -0.682 0.000 0.752 119 E HN 0.577 nan 8.360 nan 0.000 0.447 120 W N 0.552 121.731 121.300 -0.202 0.000 2.318 120 W HA -0.260 4.400 4.660 -0.000 0.000 0.313 120 W C 1.509 177.875 176.519 -0.255 0.000 1.221 120 W CA 1.335 58.507 57.345 -0.288 0.000 1.266 120 W CB -0.495 28.694 29.460 -0.452 0.000 1.150 120 W HN 0.144 nan 8.180 nan 0.000 0.496 121 F N 0.900 120.926 119.950 0.126 0.000 2.407 121 F HA -0.000 4.527 4.527 -0.000 0.000 0.299 121 F C 2.691 178.464 175.800 -0.045 0.000 1.097 121 F CA 1.515 59.543 58.000 0.045 0.000 1.422 121 F CB -1.322 37.784 39.000 0.176 0.000 1.067 121 F HN -0.106 nan 8.300 nan 0.000 0.539 122 A N 0.440 123.324 122.820 0.106 0.000 1.883 122 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 122 A C 2.100 179.639 177.584 -0.076 0.000 1.186 122 A CA 2.008 54.068 52.037 0.038 0.000 0.624 122 A CB -0.729 18.282 19.000 0.017 0.000 0.822 122 A HN 0.450 nan 8.150 nan 0.000 0.444 123 E N -0.588 119.488 120.200 -0.206 0.000 2.152 123 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 123 E C 1.836 178.259 176.600 -0.294 0.000 0.983 123 E CA 0.826 57.061 56.400 -0.275 0.000 0.818 123 E CB -0.069 29.395 29.700 -0.392 0.000 0.758 123 E HN 0.530 nan 8.360 nan 0.000 0.467 124 E N 0.449 120.443 120.200 -0.343 0.000 2.152 124 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 124 E C 2.224 178.792 176.600 -0.054 0.000 0.983 124 E CA 0.736 56.989 56.400 -0.245 0.000 0.818 124 E CB -0.183 29.377 29.700 -0.233 0.000 0.758 124 E HN 0.347 nan 8.360 nan 0.000 0.467 125 G N 1.791 110.587 108.800 -0.007 0.000 2.450 125 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 125 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 125 G C 1.488 176.371 174.900 -0.028 0.000 1.130 125 G CA 0.536 45.644 45.100 0.013 0.000 0.760 125 G HN 0.221 nan 8.290 nan 0.000 0.557 126 K N -0.283 120.080 120.400 -0.062 0.000 2.487 126 K HA 0.133 4.453 4.320 -0.000 0.000 0.192 126 K C 1.592 178.152 176.600 -0.067 0.000 1.027 126 K CA 0.198 56.443 56.287 -0.070 0.000 1.054 126 K CB 0.278 32.727 32.500 -0.086 0.000 0.824 126 K HN 0.182 nan 8.250 nan 0.000 0.510 127 R N 0.382 120.843 120.500 -0.064 0.000 2.572 127 R HA 0.145 4.485 4.340 -0.000 0.000 0.370 127 R C -0.507 175.776 176.300 -0.028 0.000 1.005 127 R CA -0.156 55.906 56.100 -0.063 0.000 1.146 127 R CB 1.199 31.437 30.300 -0.104 0.000 1.390 127 R HN -0.142 nan 8.270 nan 0.000 0.553 128 V N 2.156 122.070 119.914 -0.000 0.000 2.403 128 V HA 0.244 4.364 4.120 -0.000 0.000 0.265 128 V C 0.277 176.382 176.094 0.018 0.000 1.034 128 V CA -0.033 62.285 62.300 0.031 0.000 1.036 128 V CB 0.628 32.484 31.823 0.056 0.000 1.032 128 V HN 0.219 nan 8.190 nan 0.000 0.478 129 A N 4.677 127.507 122.820 0.016 0.000 2.355 129 A HA 0.872 5.192 4.320 -0.000 0.000 0.317 129 A C 0.452 178.048 177.584 0.021 0.000 1.094 129 A CA 0.029 52.071 52.037 0.008 0.000 0.764 129 A CB 1.517 20.510 19.000 -0.012 0.000 1.230 129 A HN 0.840 nan 8.150 nan 0.000 0.448 130 G N 0.474 109.288 108.800 0.023 0.000 2.574 130 G HA2 0.576 4.536 3.960 -0.000 0.000 0.248 130 G HA3 0.576 4.536 3.960 -0.000 0.000 0.248 130 G C -0.947 173.967 174.900 0.024 0.000 1.422 130 G CA -0.353 44.767 45.100 0.032 0.000 1.051 130 G HN 0.718 nan 8.290 nan 0.000 0.560 131 D N -1.458 118.961 120.400 0.031 0.000 2.645 131 D HA 0.504 5.144 4.640 -0.000 0.000 0.228 131 D C -0.573 175.746 176.300 0.031 0.000 1.148 131 D CA -0.524 53.491 54.000 0.024 0.000 0.860 131 D CB 1.917 42.730 40.800 0.021 0.000 1.548 131 D HN 0.512 nan 8.370 nan 0.000 0.460 132 T N -0.639 113.928 114.554 0.023 0.000 2.770 132 T HA 0.703 5.053 4.350 -0.000 0.000 0.283 132 T C -0.508 174.205 174.700 0.021 0.000 0.988 132 T CA -0.769 61.347 62.100 0.027 0.000 0.957 132 T CB 0.165 69.046 68.868 0.021 0.000 0.930 132 T HN 0.276 nan 8.240 nan 0.000 0.443 133 L N 3.446 124.684 121.223 0.025 0.000 2.322 133 L HA 0.635 4.975 4.340 -0.000 0.000 0.269 133 L C -2.287 174.592 176.870 0.016 0.000 1.012 133 L CA -2.804 52.044 54.840 0.013 0.000 0.815 133 L CB 1.557 43.616 42.059 0.001 0.000 1.295 133 L HN 0.432 nan 8.230 nan 0.000 0.438 134 P HA 0.090 nan 4.420 nan 0.000 0.276 134 P C -0.445 176.862 177.300 0.012 0.000 1.235 134 P CA -0.206 62.900 63.100 0.010 0.000 0.772 134 P CB 0.798 32.501 31.700 0.004 0.000 0.871 135 T N 3.631 118.196 114.554 0.019 0.000 2.907 135 T HA 0.251 4.601 4.350 -0.000 0.000 0.298 135 T C -1.165 173.545 174.700 0.016 0.000 1.017 135 T CA -1.345 60.770 62.100 0.025 0.000 1.118 135 T CB 0.019 68.907 68.868 0.033 0.000 0.948 135 T HN 0.332 nan 8.240 nan 0.000 0.531 136 P HA 0.276 nan 4.420 nan 0.000 0.261 136 P C -0.541 176.768 177.300 0.015 0.000 1.268 136 P CA 0.152 63.259 63.100 0.011 0.000 0.833 136 P CB 0.348 32.051 31.700 0.006 0.000 1.231 137 D N 0.426 120.840 120.400 0.022 0.000 2.575 137 D HA 0.455 5.095 4.640 -0.000 0.000 0.250 137 D C -0.636 175.676 176.300 0.021 0.000 1.279 137 D CA -0.646 53.367 54.000 0.021 0.000 0.925 137 D CB 1.416 42.232 40.800 0.026 0.000 1.261 137 D HN 0.019 nan 8.370 nan 0.000 0.567 138 A N 3.787 126.616 122.820 0.015 0.000 2.483 138 A HA 0.388 4.708 4.320 -0.000 0.000 0.238 138 A C 0.927 178.519 177.584 0.013 0.000 1.070 138 A CA 0.202 52.247 52.037 0.013 0.000 0.770 138 A CB 0.110 19.115 19.000 0.010 0.000 1.008 138 A HN 0.805 nan 8.150 nan 0.000 0.497 139 N N -1.284 117.423 118.700 0.012 0.000 2.949 139 N HA -0.118 4.622 4.740 -0.000 0.000 0.180 139 N C -0.485 175.033 175.510 0.014 0.000 1.101 139 N CA 1.967 55.024 53.050 0.011 0.000 1.016 139 N CB -1.188 37.305 38.487 0.010 0.000 0.978 139 N HN 0.793 nan 8.380 nan 0.000 0.558 140 K N 0.206 120.619 120.400 0.021 0.000 2.435 140 K HA 0.600 4.920 4.320 -0.000 0.000 0.251 140 K C -0.697 175.925 176.600 0.037 0.000 0.954 140 K CA -0.736 55.568 56.287 0.030 0.000 0.820 140 K CB 2.013 34.539 32.500 0.044 0.000 1.292 140 K HN -0.106 nan 8.250 nan 0.000 0.436 141 R N 1.535 122.060 120.500 0.041 0.000 2.750 141 R HA 0.529 4.869 4.340 -0.000 0.000 0.281 141 R C -0.746 175.607 176.300 0.088 0.000 0.972 141 R CA -0.749 55.382 56.100 0.050 0.000 0.912 141 R CB 1.222 31.540 30.300 0.031 0.000 1.187 141 R HN 0.585 nan 8.270 nan 0.000 0.464 142 I N 2.099 122.736 120.570 0.112 0.000 2.354 142 I HA 0.309 4.479 4.170 -0.000 0.000 0.286 142 I C -0.406 175.798 176.117 0.145 0.000 1.007 142 I CA -0.822 60.597 61.300 0.199 0.000 1.167 142 I CB 1.760 39.858 38.000 0.165 0.000 1.320 142 I HN 0.035 nan 8.210 nan 0.000 0.458 143 V N 6.996 127.002 119.914 0.154 0.000 2.448 143 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 143 V C -0.087 176.095 176.094 0.145 0.000 1.025 143 V CA -0.777 61.586 62.300 0.104 0.000 0.859 143 V CB 2.039 33.892 31.823 0.051 0.000 0.988 143 V HN 0.360 nan 8.190 nan 0.000 0.431 144 V N 5.619 125.602 119.914 0.115 0.000 2.384 144 V HA 0.613 4.733 4.120 -0.000 0.000 0.287 144 V C 0.008 176.146 176.094 0.073 0.000 1.020 144 V CA -0.522 61.847 62.300 0.115 0.000 0.850 144 V CB 1.684 33.562 31.823 0.092 0.000 0.987 144 V HN 0.775 nan 8.190 nan 0.000 0.436 145 V N 2.486 122.442 119.914 0.069 0.000 3.019 145 V HA 0.745 4.865 4.120 -0.000 0.000 0.317 145 V C -0.554 175.576 176.094 0.060 0.000 1.094 145 V CA -1.068 61.263 62.300 0.050 0.000 1.000 145 V CB 2.013 33.856 31.823 0.033 0.000 1.060 145 V HN 0.783 nan 8.190 nan 0.000 0.443 146 K N 1.750 122.184 120.400 0.056 0.000 2.324 146 K HA 0.660 4.980 4.320 -0.000 0.000 0.253 146 K C -0.937 175.708 176.600 0.074 0.000 0.932 146 K CA -0.544 55.786 56.287 0.071 0.000 0.799 146 K CB 2.083 34.628 32.500 0.076 0.000 1.154 146 K HN 1.008 nan 8.250 nan 0.000 0.425 147 E N 1.809 122.067 120.200 0.098 0.000 2.408 147 E HA 0.415 4.765 4.350 -0.000 0.000 0.275 147 E C -2.944 173.768 176.600 0.187 0.000 0.935 147 E CA -2.780 53.691 56.400 0.118 0.000 0.775 147 E CB 1.604 31.360 29.700 0.092 0.000 1.277 147 E HN 0.098 nan 8.360 nan 0.000 0.455 148 P HA -0.014 nan 4.420 nan 0.000 0.264 148 P C 0.364 177.896 177.300 0.386 0.000 1.183 148 P CA 0.206 63.526 63.100 0.368 0.000 0.763 148 P CB 0.531 32.594 31.700 0.604 0.000 0.807 149 I N 2.024 122.715 120.570 0.201 0.000 2.179 149 I HA -0.063 4.107 4.170 -0.000 0.000 0.242 149 I C 1.071 177.141 176.117 -0.078 0.000 1.088 149 I CA 2.176 63.532 61.300 0.094 0.000 1.357 149 I CB -0.384 37.636 38.000 0.032 0.000 1.051 149 I HN 0.648 nan 8.210 nan 0.000 0.409 150 G N -0.950 107.577 108.800 -0.454 0.000 2.291 150 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.249 150 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.249 150 G C -0.981 173.432 174.900 -0.812 0.000 1.340 150 G CA -0.273 44.089 45.100 -1.230 0.000 1.017 150 G HN 0.007 nan 8.290 nan 0.000 0.470 151 V N 0.878 120.425 119.914 -0.612 0.000 2.450 151 V HA 0.331 4.451 4.120 -0.000 0.000 0.281 151 V C 0.887 176.860 176.094 -0.202 0.000 1.019 151 V CA -0.092 61.998 62.300 -0.349 0.000 1.062 151 V CB -0.268 31.421 31.823 -0.224 0.000 0.979 151 V HN 0.822 nan 8.190 nan 0.000 0.477 152 C N 4.208 123.425 119.300 -0.137 0.000 2.325 152 C HA 0.969 5.429 4.460 -0.000 0.000 0.370 152 C C 0.615 175.587 174.990 -0.029 0.000 1.217 152 C CA -0.432 58.562 59.018 -0.039 0.000 2.254 152 C CB 1.154 28.940 27.740 0.077 0.000 2.282 152 C HN 1.043 nan 8.230 nan 0.000 0.564 153 A N 0.256 123.079 122.820 0.005 0.000 2.549 153 A HA 0.880 5.200 4.320 -0.000 0.000 0.297 153 A C -1.215 176.395 177.584 0.043 0.000 1.061 153 A CA -0.194 51.849 52.037 0.010 0.000 0.690 153 A CB 1.093 20.091 19.000 -0.002 0.000 1.287 153 A HN 1.663 nan 8.150 nan 0.000 0.402 154 A N 1.790 124.638 122.820 0.048 0.000 2.385 154 A HA 0.682 5.002 4.320 -0.000 0.000 0.290 154 A C -1.003 176.626 177.584 0.074 0.000 1.094 154 A CA -0.214 51.861 52.037 0.064 0.000 0.729 154 A CB 0.357 19.388 19.000 0.052 0.000 1.194 154 A HN 0.746 nan 8.150 nan 0.000 0.442 155 I N 3.111 123.753 120.570 0.120 0.000 2.312 155 I HA 0.425 4.595 4.170 -0.000 0.000 0.290 155 I C 0.670 176.801 176.117 0.023 0.000 1.008 155 I CA -0.086 61.303 61.300 0.147 0.000 1.226 155 I CB 1.887 40.086 38.000 0.332 0.000 1.371 155 I HN 0.721 nan 8.210 nan 0.000 0.468 156 T N 4.401 118.947 114.554 -0.013 0.000 2.932 156 T HA 0.713 5.063 4.350 -0.000 0.000 0.289 156 T C -2.711 171.928 174.700 -0.102 0.000 1.039 156 T CA -1.993 60.050 62.100 -0.094 0.000 1.024 156 T CB 2.382 71.228 68.868 -0.037 0.000 1.090 156 T HN 0.242 nan 8.240 nan 0.000 0.496 157 P HA 0.332 nan 4.420 nan 0.000 0.304 157 P C 0.799 178.024 177.300 -0.125 0.000 1.310 157 P CA -0.894 62.068 63.100 -0.230 0.000 0.796 157 P CB 1.036 32.450 31.700 -0.476 0.000 1.297 158 W N 0.573 121.851 121.300 -0.036 0.000 2.658 158 W HA -0.005 4.655 4.660 -0.000 0.000 0.263 158 W C 1.062 177.564 176.519 -0.028 0.000 1.274 158 W CA 0.468 57.799 57.345 -0.023 0.000 1.343 158 W CB -1.757 27.680 29.460 -0.037 0.000 1.106 158 W HN 0.240 nan 8.180 nan 0.000 0.615 159 N N 1.175 119.587 118.700 -0.481 0.000 2.309 159 N HA -0.175 4.565 4.740 -0.000 0.000 0.182 159 N C -0.147 175.264 175.510 -0.166 0.000 1.018 159 N CA 0.901 53.761 53.050 -0.317 0.000 0.876 159 N CB -0.859 37.270 38.487 -0.597 0.000 0.972 159 N HN 0.104 nan 8.380 nan 0.000 0.434 160 F N 0.960 120.853 119.950 -0.096 0.000 2.660 160 F HA 0.360 4.887 4.527 -0.000 0.000 0.352 160 F C -1.821 173.988 175.800 0.015 0.000 1.257 160 F CA -1.955 56.042 58.000 -0.004 0.000 1.200 160 F CB 1.923 40.926 39.000 0.005 0.000 1.473 160 F HN -0.142 nan 8.300 nan 0.000 0.561 161 P HA -0.074 nan 4.420 nan 0.000 0.230 161 P C 0.961 178.339 177.300 0.130 0.000 1.158 161 P CA 0.992 64.169 63.100 0.128 0.000 0.769 161 P CB 0.515 32.295 31.700 0.133 0.000 0.807 162 A N 0.369 123.276 122.820 0.145 0.000 1.944 162 A HA 0.422 4.742 4.320 -0.000 0.000 0.209 162 A C 2.382 180.041 177.584 0.125 0.000 1.328 162 A CA 0.900 53.017 52.037 0.133 0.000 0.693 162 A CB -1.230 17.842 19.000 0.121 0.000 0.994 162 A HN 0.108 nan 8.150 nan 0.000 0.485 163 A N -0.571 122.359 122.820 0.184 0.000 1.978 163 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 163 A C 2.137 179.705 177.584 -0.027 0.000 1.170 163 A CA 1.998 54.112 52.037 0.128 0.000 0.636 163 A CB -0.575 18.604 19.000 0.300 0.000 0.810 163 A HN 0.398 nan 8.150 nan 0.000 0.448 164 M N -0.153 119.452 119.600 0.010 0.000 2.082 164 M HA -0.154 4.326 4.480 -0.000 0.000 0.258 164 M C 2.057 178.319 176.300 -0.062 0.000 1.069 164 M CA 1.371 56.627 55.300 -0.074 0.000 1.102 164 M CB -1.195 31.386 32.600 -0.031 0.000 1.336 164 M HN 0.353 nan 8.290 nan 0.000 0.404 165 I N 0.091 120.672 120.570 0.019 0.000 2.127 165 I HA -0.225 3.945 4.170 -0.000 0.000 0.241 165 I C 2.613 178.781 176.117 0.085 0.000 1.075 165 I CA 1.634 62.979 61.300 0.075 0.000 1.334 165 I CB -1.878 36.212 38.000 0.150 0.000 1.040 165 I HN 0.184 nan 8.210 nan 0.000 0.405 166 A N 0.711 123.561 122.820 0.050 0.000 1.908 166 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 166 A C 2.477 180.031 177.584 -0.050 0.000 1.181 166 A CA 1.629 53.684 52.037 0.030 0.000 0.627 166 A CB -0.760 18.229 19.000 -0.019 0.000 0.818 166 A HN 0.323 nan 8.150 nan 0.000 0.445 167 R N -0.873 119.456 120.500 -0.286 0.000 2.249 167 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 167 R C 1.550 177.653 176.300 -0.328 0.000 1.121 167 R CA 1.649 57.424 56.100 -0.543 0.000 0.997 167 R CB -0.059 29.792 30.300 -0.748 0.000 0.867 167 R HN 0.562 nan 8.270 nan 0.000 0.465 168 K N -1.667 118.620 120.400 -0.188 0.000 2.462 168 K HA 0.110 4.430 4.320 -0.000 0.000 0.201 168 K C 1.650 178.157 176.600 -0.156 0.000 1.268 168 K CA 0.100 56.309 56.287 -0.130 0.000 0.933 168 K CB 0.678 33.168 32.500 -0.017 0.000 1.162 168 K HN -0.093 nan 8.250 nan 0.000 0.527 169 V N 1.456 121.345 119.914 -0.043 0.000 2.453 169 V HA -0.128 3.992 4.120 -0.000 0.000 0.247 169 V C 2.260 178.346 176.094 -0.013 0.000 1.048 169 V CA 2.237 64.540 62.300 0.005 0.000 1.049 169 V CB -0.821 31.102 31.823 0.166 0.000 0.672 169 V HN 0.452 nan 8.190 nan 0.000 0.457 170 G N 1.603 110.413 108.800 0.016 0.000 2.587 170 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 170 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 170 G C 0.109 174.849 174.900 -0.266 0.000 1.240 170 G CA 1.383 46.511 45.100 0.046 0.000 0.794 170 G HN 0.550 nan 8.290 nan 0.000 0.580 171 P HA -0.053 nan 4.420 nan 0.000 0.217 171 P C 2.085 178.912 177.300 -0.789 0.000 1.150 171 P CA 2.104 64.582 63.100 -1.036 0.000 0.832 171 P CB -0.234 30.611 31.700 -1.426 0.000 0.787 172 A N -0.035 122.202 122.820 -0.970 0.000 1.865 172 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 172 A C 2.260 179.783 177.584 -0.100 0.000 1.191 172 A CA 1.786 53.471 52.037 -0.586 0.000 0.623 172 A CB -1.640 17.148 19.000 -0.353 0.000 0.826 172 A HN 0.095 nan 8.150 nan 0.000 0.444 173 L N -0.572 120.656 121.223 0.009 0.000 2.093 173 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 173 L C 2.965 180.070 176.870 0.391 0.000 1.085 173 L CA 1.768 56.816 54.840 0.347 0.000 0.755 173 L CB -0.833 41.390 42.059 0.273 0.000 0.904 173 L HN 0.390 nan 8.230 nan 0.000 0.435 174 A N -0.687 122.241 122.820 0.180 0.000 1.972 174 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 174 A C 2.394 180.027 177.584 0.082 0.000 1.169 174 A CA 1.490 53.607 52.037 0.133 0.000 0.635 174 A CB -0.784 18.313 19.000 0.160 0.000 0.810 174 A HN 0.356 nan 8.150 nan 0.000 0.446 175 A N -1.762 121.106 122.820 0.079 0.000 2.168 175 A HA 0.366 4.686 4.320 -0.000 0.000 0.215 175 A C 1.800 179.466 177.584 0.136 0.000 1.152 175 A CA 1.400 53.502 52.037 0.108 0.000 0.716 175 A CB -0.874 18.208 19.000 0.137 0.000 0.794 175 A HN 1.930 nan 8.150 nan 0.000 0.465 176 G N -2.523 106.373 108.800 0.161 0.000 2.130 176 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 176 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 176 G C -0.052 175.174 174.900 0.544 0.000 0.999 176 G CA -0.089 45.115 45.100 0.173 0.000 0.686 176 G HN 0.611 nan 8.290 nan 0.000 0.515 177 C N 1.859 121.428 119.300 0.447 0.000 2.411 177 C HA 0.793 5.253 4.460 -0.000 0.000 0.330 177 C C -1.505 173.562 174.990 0.128 0.000 1.224 177 C CA -1.438 57.706 59.018 0.211 0.000 1.770 177 C CB 1.898 29.667 27.740 0.049 0.000 2.297 177 C HN 0.431 nan 8.230 nan 0.000 0.507 178 P HA 0.565 nan 4.420 nan 0.000 0.278 178 P C -1.047 176.155 177.300 -0.163 0.000 1.258 178 P CA -0.200 62.791 63.100 -0.183 0.000 0.811 178 P CB 1.360 32.964 31.700 -0.161 0.000 1.063 179 I N 0.003 120.477 120.570 -0.160 0.000 2.752 179 I HA 0.327 4.497 4.170 -0.000 0.000 0.295 179 I C -1.507 174.551 176.117 -0.100 0.000 1.219 179 I CA -1.148 60.087 61.300 -0.107 0.000 1.030 179 I CB 2.348 40.301 38.000 -0.079 0.000 1.259 179 I HN -0.046 nan 8.210 nan 0.000 0.423 180 V N 7.139 127.013 119.914 -0.067 0.000 2.417 180 V HA 0.532 4.652 4.120 -0.000 0.000 0.291 180 V C -0.497 175.586 176.094 -0.019 0.000 1.024 180 V CA -0.525 61.743 62.300 -0.054 0.000 0.861 180 V CB 1.747 33.538 31.823 -0.053 0.000 0.985 180 V HN 0.439 nan 8.190 nan 0.000 0.436 181 V N 4.452 124.362 119.914 -0.006 0.000 2.604 181 V HA 0.597 4.717 4.120 -0.000 0.000 0.305 181 V C -0.173 175.941 176.094 0.034 0.000 1.043 181 V CA -0.950 61.363 62.300 0.022 0.000 0.888 181 V CB 2.043 33.886 31.823 0.033 0.000 0.995 181 V HN 0.774 nan 8.190 nan 0.000 0.429 182 K N 6.344 126.774 120.400 0.049 0.000 2.507 182 K HA 0.480 4.800 4.320 -0.000 0.000 0.253 182 K C -2.881 173.763 176.600 0.074 0.000 0.969 182 K CA -1.849 54.475 56.287 0.063 0.000 0.908 182 K CB 2.538 35.076 32.500 0.064 0.000 1.127 182 K HN 0.414 nan 8.250 nan 0.000 0.437 183 P HA 0.140 nan 4.420 nan 0.000 0.276 183 P C -0.431 176.931 177.300 0.103 0.000 1.261 183 P CA -0.471 62.679 63.100 0.083 0.000 0.800 183 P CB 0.582 32.333 31.700 0.085 0.000 1.066 184 A N 0.288 123.178 122.820 0.117 0.000 2.547 184 A HA 0.294 4.614 4.320 -0.000 0.000 0.233 184 A C 1.774 179.452 177.584 0.157 0.000 1.067 184 A CA 0.706 52.838 52.037 0.158 0.000 0.763 184 A CB -0.988 18.159 19.000 0.245 0.000 1.007 184 A HN 0.643 nan 8.150 nan 0.000 0.506 185 E N 0.641 120.924 120.200 0.137 0.000 2.150 185 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 185 E C 2.049 178.779 176.600 0.217 0.000 0.985 185 E CA 1.861 58.345 56.400 0.140 0.000 0.814 185 E CB -0.684 28.968 29.700 -0.080 0.000 0.752 185 E HN 0.767 nan 8.360 nan 0.000 0.466 186 S N 0.230 116.012 115.700 0.136 0.000 2.414 186 S HA -0.024 4.446 4.470 -0.000 0.000 0.227 186 S C 1.604 176.267 174.600 0.105 0.000 1.022 186 S CA 1.195 59.451 58.200 0.094 0.000 0.958 186 S CB 0.183 63.351 63.200 -0.053 0.000 0.797 186 S HN 0.741 nan 8.310 nan 0.000 0.493 187 T N -0.383 114.247 114.554 0.128 0.000 3.514 187 T HA 0.347 4.697 4.350 -0.000 0.000 0.259 187 T C -2.275 172.462 174.700 0.061 0.000 1.466 187 T CA -1.382 60.789 62.100 0.118 0.000 1.562 187 T CB 1.211 70.185 68.868 0.176 0.000 0.924 187 T HN 0.068 nan 8.240 nan 0.000 0.678 188 P HA 0.113 nan 4.420 nan 0.000 0.227 188 P C 1.008 178.230 177.300 -0.131 0.000 1.161 188 P CA 0.143 63.160 63.100 -0.138 0.000 0.788 188 P CB -0.055 31.468 31.700 -0.295 0.000 0.822 189 F N 1.072 121.031 119.950 0.015 0.000 2.113 189 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 189 F C 2.682 178.494 175.800 0.019 0.000 1.103 189 F CA 1.418 59.402 58.000 -0.026 0.000 1.248 189 F CB -1.562 37.392 39.000 -0.076 0.000 0.999 189 F HN -0.105 nan 8.300 nan 0.000 0.475 190 S N 0.047 115.883 115.700 0.227 0.000 2.370 190 S HA -0.236 4.234 4.470 -0.000 0.000 0.226 190 S C 2.383 177.086 174.600 0.172 0.000 1.033 190 S CA 1.123 59.425 58.200 0.170 0.000 1.011 190 S CB -0.819 62.466 63.200 0.142 0.000 0.852 190 S HN 0.376 nan 8.310 nan 0.000 0.457 191 A N 1.430 124.344 122.820 0.157 0.000 1.873 191 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 191 A C 2.135 179.836 177.584 0.194 0.000 1.193 191 A CA 1.540 53.673 52.037 0.160 0.000 0.629 191 A CB -0.857 18.215 19.000 0.121 0.000 0.826 191 A HN 0.474 nan 8.150 nan 0.000 0.447 192 L N -0.950 120.394 121.223 0.201 0.000 2.093 192 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 192 L C 3.088 180.156 176.870 0.331 0.000 1.085 192 L CA 0.893 55.907 54.840 0.290 0.000 0.755 192 L CB -0.558 41.674 42.059 0.288 0.000 0.904 192 L HN 0.444 nan 8.230 nan 0.000 0.435 193 A N -0.097 122.864 122.820 0.236 0.000 1.908 193 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 193 A C 2.317 180.109 177.584 0.346 0.000 1.181 193 A CA 1.942 54.121 52.037 0.236 0.000 0.627 193 A CB -0.439 18.656 19.000 0.157 0.000 0.818 193 A HN 0.365 nan 8.150 nan 0.000 0.445 194 M N -1.077 118.724 119.600 0.335 0.000 2.236 194 M HA -0.018 4.462 4.480 -0.000 0.000 0.266 194 M C 2.540 179.115 176.300 0.459 0.000 1.070 194 M CA 1.016 56.605 55.300 0.482 0.000 1.137 194 M CB -0.376 32.511 32.600 0.478 0.000 1.378 194 M HN 0.479 nan 8.290 nan 0.000 0.426 195 A N 0.434 123.398 122.820 0.239 0.000 1.940 195 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 195 A C 1.964 179.482 177.584 -0.111 0.000 1.176 195 A CA 1.502 53.504 52.037 -0.058 0.000 0.631 195 A CB -0.962 17.955 19.000 -0.139 0.000 0.814 195 A HN 0.490 nan 8.150 nan 0.000 0.446 196 F N 0.532 120.515 119.950 0.055 0.000 2.102 196 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 196 F C 1.921 177.761 175.800 0.066 0.000 1.105 196 F CA 1.634 59.715 58.000 0.136 0.000 1.239 196 F CB -0.356 38.720 39.000 0.127 0.000 0.991 196 F HN 0.137 nan 8.300 nan 0.000 0.474 197 L N -0.357 120.947 121.223 0.134 0.000 2.141 197 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 197 L C 2.734 179.651 176.870 0.078 0.000 1.094 197 L CA 1.001 55.911 54.840 0.118 0.000 0.763 197 L CB -1.182 41.090 42.059 0.356 0.000 0.908 197 L HN 0.233 nan 8.230 nan 0.000 0.437 198 A N -0.104 122.601 122.820 -0.192 0.000 1.902 198 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 198 A C 2.281 179.659 177.584 -0.343 0.000 1.181 198 A CA 1.799 53.418 52.037 -0.697 0.000 0.623 198 A CB -0.524 17.754 19.000 -1.204 0.000 0.818 198 A HN 0.464 nan 8.150 nan 0.000 0.443 199 E N -0.192 119.842 120.200 -0.277 0.000 2.070 199 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 199 E C 2.264 178.775 176.600 -0.147 0.000 1.004 199 E CA 1.354 57.657 56.400 -0.163 0.000 0.805 199 E CB -0.142 29.491 29.700 -0.112 0.000 0.744 199 E HN 0.558 nan 8.360 nan 0.000 0.451 200 R N -0.195 120.167 120.500 -0.231 0.000 2.075 200 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 200 R C 2.388 178.646 176.300 -0.070 0.000 1.126 200 R CA 1.011 57.002 56.100 -0.183 0.000 0.963 200 R CB -0.401 29.740 30.300 -0.264 0.000 0.858 200 R HN 0.187 nan 8.270 nan 0.000 0.435 201 A N 0.177 122.976 122.820 -0.035 0.000 2.019 201 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 201 A C 1.515 179.115 177.584 0.026 0.000 1.164 201 A CA 1.593 53.654 52.037 0.040 0.000 0.644 201 A CB -0.229 18.845 19.000 0.124 0.000 0.805 201 A HN 0.520 nan 8.150 nan 0.000 0.449 202 G N -2.265 106.521 108.800 -0.023 0.000 2.145 202 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.145 202 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.145 202 G C -0.020 174.872 174.900 -0.012 0.000 1.017 202 G CA -0.163 44.938 45.100 0.001 0.000 0.682 202 G HN 0.741 nan 8.290 nan 0.000 0.504 203 V N 2.225 122.076 119.914 -0.106 0.000 2.425 203 V HA 0.247 4.367 4.120 -0.000 0.000 0.276 203 V C -1.008 174.976 176.094 -0.184 0.000 1.017 203 V CA -0.601 61.564 62.300 -0.225 0.000 1.062 203 V CB 0.527 32.118 31.823 -0.386 0.000 0.997 203 V HN 0.246 nan 8.190 nan 0.000 0.476 204 P HA 0.198 nan 4.420 nan 0.000 0.267 204 P C 0.101 177.320 177.300 -0.135 0.000 1.200 204 P CA -0.014 63.033 63.100 -0.089 0.000 0.772 204 P CB 0.297 31.988 31.700 -0.014 0.000 0.855 205 K N 1.738 122.085 120.400 -0.087 0.000 2.491 205 K HA 0.346 4.666 4.320 -0.000 0.000 0.279 205 K C 1.389 177.891 176.600 -0.163 0.000 1.026 205 K CA 0.434 56.642 56.287 -0.132 0.000 1.070 205 K CB -1.390 31.050 32.500 -0.099 0.000 0.887 205 K HN 0.938 nan 8.250 nan 0.000 0.481 206 G N 0.202 108.862 108.800 -0.233 0.000 2.313 206 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.215 206 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.215 206 G C 1.419 176.185 174.900 -0.222 0.000 1.023 206 G CA 0.493 45.468 45.100 -0.208 0.000 0.626 206 G HN 1.133 nan 8.290 nan 0.000 0.503 207 V N 0.451 120.196 119.914 -0.283 0.000 2.626 207 V HA 0.276 4.396 4.120 -0.000 0.000 0.252 207 V C 1.019 176.907 176.094 -0.343 0.000 1.067 207 V CA 2.024 64.083 62.300 -0.401 0.000 1.081 207 V CB -0.047 31.323 31.823 -0.755 0.000 0.686 207 V HN 0.636 nan 8.190 nan 0.000 0.468 208 L N -0.679 120.378 121.223 -0.275 0.000 2.438 208 L HA 0.662 5.002 4.340 -0.000 0.000 0.270 208 L C -0.658 176.133 176.870 -0.131 0.000 0.972 208 L CA 0.165 54.889 54.840 -0.194 0.000 0.831 208 L CB 2.143 44.073 42.059 -0.216 0.000 1.273 208 L HN -0.068 nan 8.230 nan 0.000 0.405 209 S N 3.079 118.710 115.700 -0.115 0.000 2.542 209 S HA 0.817 5.287 4.470 -0.000 0.000 0.293 209 S C -1.162 173.420 174.600 -0.030 0.000 1.089 209 S CA -0.548 57.583 58.200 -0.115 0.000 0.961 209 S CB 2.133 65.237 63.200 -0.160 0.000 1.062 209 S HN 0.404 nan 8.310 nan 0.000 0.483 210 V N 3.316 123.230 119.914 0.000 0.000 2.305 210 V HA 0.329 4.449 4.120 -0.000 0.000 0.275 210 V C -0.409 175.695 176.094 0.018 0.000 1.020 210 V CA -0.653 61.664 62.300 0.028 0.000 0.811 210 V CB 1.130 32.992 31.823 0.065 0.000 1.031 210 V HN 0.682 nan 8.190 nan 0.000 0.439 211 V N 6.276 126.198 119.914 0.013 0.000 2.530 211 V HA 0.462 4.582 4.120 -0.000 0.000 0.282 211 V C 0.072 176.200 176.094 0.057 0.000 1.048 211 V CA -0.061 62.252 62.300 0.022 0.000 0.997 211 V CB 1.480 33.309 31.823 0.010 0.000 0.987 211 V HN 0.634 nan 8.190 nan 0.000 0.477 212 I N 3.526 124.143 120.570 0.078 0.000 2.533 212 I HA 0.810 4.980 4.170 -0.000 0.000 0.290 212 I C 0.567 176.800 176.117 0.194 0.000 1.056 212 I CA -0.015 61.362 61.300 0.130 0.000 1.057 212 I CB 1.994 40.047 38.000 0.089 0.000 1.240 212 I HN 0.862 nan 8.210 nan 0.000 0.423 213 G N 4.734 113.699 108.800 0.276 0.000 2.480 213 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.109 213 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.109 213 G C -1.499 173.428 174.900 0.046 0.000 1.172 213 G CA -0.652 44.604 45.100 0.260 0.000 1.091 213 G HN 0.488 nan 8.290 nan 0.000 0.464 214 D N 2.168 122.578 120.400 0.017 0.000 2.346 214 D HA 0.475 5.115 4.640 -0.000 0.000 0.260 214 D C -0.887 175.400 176.300 -0.022 0.000 1.252 214 D CA -1.693 52.284 54.000 -0.037 0.000 0.895 214 D CB 1.614 42.405 40.800 -0.015 0.000 1.097 214 D HN -0.044 nan 8.370 nan 0.000 0.489 215 P HA -0.189 nan 4.420 nan 0.000 0.214 215 P C 1.269 178.570 177.300 0.002 0.000 1.163 215 P CA 2.261 65.358 63.100 -0.005 0.000 0.889 215 P CB 0.128 31.822 31.700 -0.010 0.000 0.790 216 K N -0.165 120.228 120.400 -0.011 0.000 2.057 216 K HA 0.004 4.323 4.320 -0.000 0.000 0.206 216 K C 2.268 178.863 176.600 -0.009 0.000 1.050 216 K CA 1.854 58.135 56.287 -0.011 0.000 0.935 216 K CB -1.769 30.723 32.500 -0.014 0.000 0.715 216 K HN 0.196 nan 8.250 nan 0.000 0.439 217 A N 0.732 123.547 122.820 -0.007 0.000 1.897 217 A HA 0.095 4.415 4.320 -0.000 0.000 0.215 217 A C 2.450 180.034 177.584 0.000 0.000 1.181 217 A CA 1.455 53.490 52.037 -0.003 0.000 0.620 217 A CB -0.269 18.731 19.000 -0.000 0.000 0.821 217 A HN 0.480 nan 8.150 nan 0.000 0.443 218 I N -0.259 120.315 120.570 0.006 0.000 2.202 218 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 218 I C 2.716 178.837 176.117 0.007 0.000 1.091 218 I CA 1.053 62.359 61.300 0.011 0.000 1.368 218 I CB -0.686 37.328 38.000 0.023 0.000 1.058 218 I HN 0.360 nan 8.210 nan 0.000 0.410 219 G N 0.313 109.117 108.800 0.008 0.000 2.469 219 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 219 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 219 G C 1.674 176.564 174.900 -0.016 0.000 1.136 219 G CA 1.600 46.700 45.100 -0.001 0.000 0.759 219 G HN 0.304 nan 8.290 nan 0.000 0.562 220 T N 0.276 114.821 114.554 -0.015 0.000 2.857 220 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 220 T C 2.199 176.890 174.700 -0.016 0.000 1.048 220 T CA 1.468 63.557 62.100 -0.019 0.000 1.139 220 T CB -0.038 68.821 68.868 -0.016 0.000 0.874 220 T HN 0.400 nan 8.240 nan 0.000 0.455 221 E N 1.152 121.345 120.200 -0.012 0.000 2.106 221 E HA -0.017 4.333 4.350 -0.000 0.000 0.192 221 E C 1.942 178.533 176.600 -0.016 0.000 0.984 221 E CA 0.900 57.293 56.400 -0.012 0.000 0.806 221 E CB -0.481 29.213 29.700 -0.010 0.000 0.750 221 E HN 0.502 nan 8.360 nan 0.000 0.458 222 I N 0.482 121.043 120.570 -0.014 0.000 2.142 222 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 222 I C 2.374 178.477 176.117 -0.022 0.000 1.078 222 I CA 1.865 63.155 61.300 -0.016 0.000 1.343 222 I CB -0.653 37.342 38.000 -0.007 0.000 1.046 222 I HN 0.292 nan 8.210 nan 0.000 0.405 223 T N -2.254 112.285 114.554 -0.025 0.000 2.995 223 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 223 T C 1.708 176.392 174.700 -0.027 0.000 1.091 223 T CA 1.181 63.262 62.100 -0.031 0.000 1.128 223 T CB -0.394 68.449 68.868 -0.042 0.000 0.891 223 T HN 0.443 nan 8.240 nan 0.000 0.492 224 S N 0.246 115.932 115.700 -0.023 0.000 2.502 224 S HA 0.173 4.643 4.470 -0.000 0.000 0.215 224 S C 0.799 175.388 174.600 -0.017 0.000 1.009 224 S CA -0.602 57.586 58.200 -0.019 0.000 0.908 224 S CB -0.463 62.727 63.200 -0.017 0.000 0.801 224 S HN 0.405 nan 8.310 nan 0.000 0.505 225 N N 3.286 121.975 118.700 -0.018 0.000 2.452 225 N HA 0.231 4.971 4.740 -0.000 0.000 0.266 225 N C -2.132 173.367 175.510 -0.018 0.000 1.175 225 N CA -1.453 51.587 53.050 -0.018 0.000 0.945 225 N CB 1.462 39.936 38.487 -0.021 0.000 1.063 225 N HN 0.022 nan 8.380 nan 0.000 0.472 226 P HA 0.000 nan 4.420 nan 0.000 0.221 226 P C 1.321 178.614 177.300 -0.012 0.000 1.150 226 P CA 0.831 63.925 63.100 -0.009 0.000 0.800 226 P CB 0.380 32.079 31.700 -0.002 0.000 0.787 227 I N -1.338 119.222 120.570 -0.015 0.000 2.252 227 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 227 I C 0.609 176.695 176.117 -0.052 0.000 1.102 227 I CA 0.663 61.949 61.300 -0.023 0.000 1.385 227 I CB -0.626 37.362 38.000 -0.020 0.000 1.064 227 I HN -0.268 nan 8.210 nan 0.000 0.414 228 V N 2.625 122.508 119.914 -0.052 0.000 2.493 228 V HA -0.044 4.076 4.120 -0.000 0.000 0.292 228 V C 1.255 177.312 176.094 -0.062 0.000 1.016 228 V CA 0.666 62.927 62.300 -0.065 0.000 1.097 228 V CB 0.350 32.144 31.823 -0.049 0.000 0.947 228 V HN 0.331 nan 8.190 nan 0.000 0.479 229 R N 2.857 123.306 120.500 -0.084 0.000 2.307 229 R HA 0.198 4.538 4.340 -0.000 0.000 0.200 229 R C 0.402 176.662 176.300 -0.067 0.000 0.893 229 R CA 0.042 56.100 56.100 -0.070 0.000 1.042 229 R CB 0.573 30.823 30.300 -0.083 0.000 1.059 229 R HN 0.795 nan 8.270 nan 0.000 0.530 230 K N 0.309 120.664 120.400 -0.075 0.000 2.527 230 K HA 0.397 4.717 4.320 -0.000 0.000 0.260 230 K C -1.830 174.733 176.600 -0.060 0.000 0.937 230 K CA -0.938 55.301 56.287 -0.080 0.000 0.826 230 K CB 1.969 34.397 32.500 -0.120 0.000 1.359 230 K HN -0.097 nan 8.250 nan 0.000 0.434 231 L N 0.966 122.156 121.223 -0.056 0.000 2.431 231 L HA 0.638 4.978 4.340 -0.000 0.000 0.266 231 L C -1.516 175.351 176.870 -0.004 0.000 0.978 231 L CA -0.029 54.802 54.840 -0.015 0.000 0.822 231 L CB 2.418 44.474 42.059 -0.005 0.000 1.310 231 L HN 0.786 nan 8.230 nan 0.000 0.409 232 S N 3.983 119.708 115.700 0.042 0.000 2.482 232 S HA 0.812 5.282 4.470 -0.000 0.000 0.303 232 S C -1.424 173.271 174.600 0.159 0.000 1.091 232 S CA -0.386 57.855 58.200 0.067 0.000 1.057 232 S CB 0.645 63.882 63.200 0.061 0.000 1.031 232 S HN 0.588 nan 8.310 nan 0.000 0.485 233 F N 2.945 122.892 119.950 -0.006 0.000 2.574 233 F HA 0.592 5.119 4.527 -0.000 0.000 0.313 233 F C -0.814 174.989 175.800 0.005 0.000 1.130 233 F CA -0.167 57.833 58.000 -0.000 0.000 0.936 233 F CB 1.836 40.835 39.000 -0.001 0.000 1.219 233 F HN 0.455 nan 8.300 nan 0.000 0.445 234 T N 4.499 118.584 114.554 -0.780 0.000 2.841 234 T HA 0.866 5.216 4.350 -0.000 0.000 0.283 234 T C -0.109 173.842 174.700 -1.250 0.000 1.000 234 T CA -0.154 61.514 62.100 -0.719 0.000 0.977 234 T CB 1.388 70.055 68.868 -0.336 0.000 0.979 234 T HN 1.172 nan 8.240 nan 0.000 0.446 235 G N 1.633 109.917 108.800 -0.860 0.000 2.404 235 G HA2 0.389 4.349 3.960 -0.000 0.000 0.253 235 G HA3 0.389 4.349 3.960 -0.000 0.000 0.253 235 G C -0.589 174.311 174.900 0.001 0.000 1.253 235 G CA -0.261 44.536 45.100 -0.504 0.000 0.917 235 G HN 1.007 nan 8.290 nan 0.000 0.480 236 S N -0.373 115.467 115.700 0.233 0.000 2.576 236 S HA 0.463 4.933 4.470 -0.000 0.000 0.276 236 S C 1.429 176.214 174.600 0.308 0.000 1.339 236 S CA 1.118 59.465 58.200 0.246 0.000 1.039 236 S CB 1.289 64.621 63.200 0.221 0.000 0.902 236 S HN 0.935 nan 8.310 nan 0.000 0.516 237 T N 3.124 117.816 114.554 0.231 0.000 2.684 237 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 237 T C 2.240 177.045 174.700 0.175 0.000 1.036 237 T CA 1.683 63.928 62.100 0.242 0.000 1.148 237 T CB -0.996 68.087 68.868 0.358 0.000 0.863 237 T HN 0.880 nan 8.240 nan 0.000 0.436 238 A N 1.106 124.023 122.820 0.161 0.000 1.892 238 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 238 A C 2.610 180.215 177.584 0.034 0.000 1.188 238 A CA 1.880 53.975 52.037 0.098 0.000 0.631 238 A CB -1.174 17.888 19.000 0.104 0.000 0.822 238 A HN 0.372 nan 8.150 nan 0.000 0.447 239 V N -0.166 119.769 119.914 0.036 0.000 2.427 239 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 239 V C 2.783 178.679 176.094 -0.329 0.000 1.051 239 V CA 1.734 63.980 62.300 -0.090 0.000 1.048 239 V CB -1.485 30.341 31.823 0.004 0.000 0.666 239 V HN 0.639 nan 8.190 nan 0.000 0.456 240 G N 0.149 108.785 108.800 -0.274 0.000 2.446 240 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 240 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 240 G C 1.739 176.540 174.900 -0.165 0.000 1.168 240 G CA 0.793 45.705 45.100 -0.312 0.000 0.771 240 G HN 0.430 nan 8.290 nan 0.000 0.551 241 R N -0.311 120.152 120.500 -0.062 0.000 2.091 241 R HA 0.032 4.372 4.340 -0.000 0.000 0.238 241 R C 2.631 178.888 176.300 -0.071 0.000 1.136 241 R CA 1.054 57.129 56.100 -0.042 0.000 0.959 241 R CB -0.496 29.801 30.300 -0.005 0.000 0.856 241 R HN 0.322 nan 8.270 nan 0.000 0.437 242 L N 0.427 121.595 121.223 -0.092 0.000 2.141 242 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 242 L C 2.226 179.022 176.870 -0.123 0.000 1.094 242 L CA 0.873 55.658 54.840 -0.092 0.000 0.763 242 L CB -0.128 41.883 42.059 -0.079 0.000 0.908 242 L HN 0.200 nan 8.230 nan 0.000 0.437 243 L N -1.276 119.827 121.223 -0.199 0.000 2.109 243 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 243 L C 2.536 179.327 176.870 -0.132 0.000 1.086 243 L CA 1.004 55.720 54.840 -0.206 0.000 0.760 243 L CB -0.240 41.599 42.059 -0.366 0.000 0.910 243 L HN 0.337 nan 8.230 nan 0.000 0.437 244 M N -0.407 119.124 119.600 -0.114 0.000 2.117 244 M HA -0.194 4.286 4.480 -0.000 0.000 0.262 244 M C 2.333 178.599 176.300 -0.055 0.000 1.065 244 M CA 1.935 57.193 55.300 -0.070 0.000 1.114 244 M CB -0.063 32.505 32.600 -0.054 0.000 1.361 244 M HN 0.253 nan 8.290 nan 0.000 0.408 245 A N -0.002 122.785 122.820 -0.055 0.000 1.933 245 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 245 A C 1.900 179.459 177.584 -0.041 0.000 1.175 245 A CA 1.719 53.731 52.037 -0.042 0.000 0.628 245 A CB -0.731 18.246 19.000 -0.039 0.000 0.814 245 A HN 0.717 nan 8.150 nan 0.000 0.444 246 Q N -0.401 119.369 119.800 -0.050 0.000 2.297 246 Q HA -0.044 4.296 4.340 -0.000 0.000 0.204 246 Q C 2.068 178.045 176.000 -0.040 0.000 0.962 246 Q CA 1.380 57.157 55.803 -0.045 0.000 0.879 246 Q CB -0.042 28.664 28.738 -0.053 0.000 0.947 246 Q HN 0.643 nan 8.270 nan 0.000 0.462 247 S N 0.579 116.253 115.700 -0.044 0.000 2.446 247 S HA 0.033 4.503 4.470 -0.000 0.000 0.225 247 S C 2.032 176.614 174.600 -0.030 0.000 1.016 247 S CA 0.499 58.677 58.200 -0.037 0.000 0.943 247 S CB 0.018 63.193 63.200 -0.041 0.000 0.786 247 S HN 0.446 nan 8.310 nan 0.000 0.508 248 A N 2.794 125.597 122.820 -0.029 0.000 1.915 248 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 248 A C -0.125 177.448 177.584 -0.018 0.000 1.198 248 A CA 1.793 53.816 52.037 -0.023 0.000 0.647 248 A CB -1.995 16.992 19.000 -0.022 0.000 0.825 248 A HN 0.382 nan 8.150 nan 0.000 0.456 249 P HA -0.095 nan 4.420 nan 0.000 0.221 249 P C 1.173 178.466 177.300 -0.012 0.000 1.145 249 P CA 1.924 65.015 63.100 -0.014 0.000 0.795 249 P CB -0.132 31.559 31.700 -0.014 0.000 0.775 250 T N -6.534 108.011 114.554 -0.014 0.000 3.040 250 T HA 0.201 4.551 4.350 -0.000 0.000 0.266 250 T C 0.581 175.273 174.700 -0.013 0.000 1.005 250 T CA -0.331 61.762 62.100 -0.012 0.000 0.906 250 T CB -0.570 68.290 68.868 -0.014 0.000 1.082 250 T HN -0.183 nan 8.240 nan 0.000 0.531 251 V N 1.508 121.412 119.914 -0.015 0.000 5.767 251 V HA -0.212 3.908 4.120 -0.000 0.000 0.311 251 V C 0.286 176.369 176.094 -0.018 0.000 0.532 251 V CA 0.792 63.083 62.300 -0.015 0.000 0.659 251 V CB -1.881 29.937 31.823 -0.008 0.000 0.353 251 V HN 0.669 nan 8.190 nan 0.000 1.082 252 K N 0.553 120.938 120.400 -0.025 0.000 2.382 252 K HA 0.262 4.582 4.320 -0.000 0.000 0.275 252 K C 0.329 176.908 176.600 -0.036 0.000 1.009 252 K CA -0.471 55.797 56.287 -0.032 0.000 0.970 252 K CB 0.623 33.101 32.500 -0.036 0.000 0.934 252 K HN 0.259 nan 8.250 nan 0.000 0.479 253 K N 2.648 123.022 120.400 -0.044 0.000 2.416 253 K HA 0.080 4.400 4.320 -0.000 0.000 0.283 253 K C -1.040 175.517 176.600 -0.073 0.000 1.037 253 K CA 0.066 56.320 56.287 -0.056 0.000 0.995 253 K CB 0.223 32.684 32.500 -0.065 0.000 0.938 253 K HN 0.274 nan 8.250 nan 0.000 0.475 254 L N 3.544 124.729 121.223 -0.063 0.000 2.362 254 L HA 0.422 4.762 4.340 -0.000 0.000 0.275 254 L C -0.692 176.144 176.870 -0.056 0.000 0.998 254 L CA -0.090 54.718 54.840 -0.052 0.000 0.820 254 L CB 2.312 44.354 42.059 -0.027 0.000 1.270 254 L HN 0.648 nan 8.230 nan 0.000 0.415 255 T N 4.889 119.408 114.554 -0.057 0.000 2.794 255 T HA 0.725 5.074 4.350 -0.000 0.000 0.280 255 T C -0.533 174.195 174.700 0.046 0.000 0.987 255 T CA -0.366 61.716 62.100 -0.029 0.000 0.993 255 T CB 0.816 69.640 68.868 -0.072 0.000 0.939 255 T HN 0.287 nan 8.240 nan 0.000 0.449 256 L N 3.376 124.638 121.223 0.064 0.000 2.446 256 L HA 0.396 4.736 4.340 -0.000 0.000 0.268 256 L C -0.365 176.564 176.870 0.099 0.000 0.975 256 L CA -0.822 54.098 54.840 0.133 0.000 0.848 256 L CB 1.750 43.890 42.059 0.134 0.000 1.225 256 L HN 0.516 nan 8.230 nan 0.000 0.410 257 E N 5.720 125.970 120.200 0.084 0.000 2.055 257 E HA 0.499 4.849 4.350 -0.000 0.000 0.274 257 E C -0.458 176.165 176.600 0.039 0.000 0.949 257 E CA -0.249 56.181 56.400 0.050 0.000 0.775 257 E CB 2.162 31.905 29.700 0.071 0.000 1.097 257 E HN 0.490 nan 8.360 nan 0.000 0.404 258 L N 0.262 121.528 121.223 0.072 0.000 2.755 258 L HA 0.597 4.937 4.340 -0.000 0.000 0.243 258 L C 1.088 177.986 176.870 0.048 0.000 1.579 258 L CA -1.340 53.565 54.840 0.108 0.000 1.669 258 L CB 0.117 42.287 42.059 0.185 0.000 2.294 258 L HN 0.407 nan 8.230 nan 0.000 0.588 259 G N -0.978 107.830 108.800 0.014 0.000 2.467 259 G HA2 0.472 4.432 3.960 -0.000 0.000 0.257 259 G HA3 0.472 4.432 3.960 -0.000 0.000 0.257 259 G C -0.208 174.520 174.900 -0.288 0.000 1.227 259 G CA 0.205 45.200 45.100 -0.176 0.000 0.835 259 G HN 0.678 nan 8.290 nan 0.000 0.556 260 G N -0.422 108.228 108.800 -0.249 0.000 2.736 260 G HA2 0.453 4.413 3.960 -0.000 0.000 0.229 260 G HA3 0.453 4.413 3.960 -0.000 0.000 0.229 260 G C -0.140 174.635 174.900 -0.208 0.000 1.380 260 G CA -0.517 44.505 45.100 -0.129 0.000 1.040 260 G HN 0.751 nan 8.290 nan 0.000 0.568 261 N N -1.371 117.353 118.700 0.039 0.000 2.861 261 N HA 0.215 4.955 4.740 -0.000 0.000 0.203 261 N C -0.251 175.343 175.510 0.140 0.000 1.339 261 N CA -0.035 53.061 53.050 0.077 0.000 1.208 261 N CB 0.135 38.754 38.487 0.221 0.000 1.579 261 N HN 0.688 nan 8.380 nan 0.000 0.583 262 A N 1.975 124.831 122.820 0.060 0.000 2.522 262 A HA 0.386 4.706 4.320 -0.000 0.000 0.256 262 A C -2.180 175.403 177.584 -0.002 0.000 1.086 262 A CA -0.447 51.583 52.037 -0.012 0.000 0.763 262 A CB -0.195 18.829 19.000 0.040 0.000 1.024 262 A HN 0.317 nan 8.150 nan 0.000 0.502 263 P HA 0.312 nan 4.420 nan 0.000 0.284 263 P C -1.029 176.332 177.300 0.102 0.000 1.253 263 P CA -0.189 62.962 63.100 0.084 0.000 0.800 263 P CB 0.800 32.536 31.700 0.060 0.000 0.961 264 F N 3.909 123.840 119.950 -0.031 0.000 2.361 264 F HA 0.443 4.970 4.527 -0.000 0.000 0.364 264 F C -0.142 175.738 175.800 0.134 0.000 1.117 264 F CA -0.865 57.132 58.000 -0.005 0.000 1.071 264 F CB 0.457 39.207 39.000 -0.416 0.000 1.188 264 F HN 0.111 nan 8.300 nan 0.000 0.464 265 I N 7.033 127.567 120.570 -0.060 0.000 2.297 265 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 265 I C -0.809 175.342 176.117 0.057 0.000 1.033 265 I CA -0.667 60.638 61.300 0.008 0.000 1.253 265 I CB 1.093 39.038 38.000 -0.092 0.000 1.396 265 I HN 0.183 nan 8.210 nan 0.000 0.476 266 V N 7.386 127.376 119.914 0.127 0.000 2.311 266 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 266 V C -0.005 176.193 176.094 0.173 0.000 1.022 266 V CA -0.465 61.886 62.300 0.085 0.000 0.830 266 V CB 0.511 32.178 31.823 -0.259 0.000 1.012 266 V HN 0.377 nan 8.190 nan 0.000 0.452 267 F N 2.467 122.572 119.950 0.259 0.000 2.380 267 F HA 0.235 4.762 4.527 -0.000 0.000 0.325 267 F C 1.715 177.586 175.800 0.119 0.000 1.136 267 F CA 0.052 58.235 58.000 0.304 0.000 1.171 267 F CB 0.719 39.864 39.000 0.242 0.000 1.230 267 F HN 0.575 nan 8.300 nan 0.000 0.554 268 D N 1.201 121.744 120.400 0.239 0.000 2.268 268 D HA -0.291 4.349 4.640 -0.000 0.000 0.189 268 D C 1.497 177.814 176.300 0.028 0.000 1.010 268 D CA 2.331 56.254 54.000 -0.127 0.000 0.862 268 D CB -0.268 40.324 40.800 -0.346 0.000 0.943 268 D HN 0.653 nan 8.370 nan 0.000 0.451 269 D N -0.138 120.322 120.400 0.100 0.000 2.349 269 D HA 0.144 4.784 4.640 -0.000 0.000 0.224 269 D C 0.622 176.990 176.300 0.113 0.000 1.029 269 D CA 0.305 54.352 54.000 0.078 0.000 0.879 269 D CB -0.666 40.165 40.800 0.051 0.000 0.906 269 D HN 0.303 nan 8.370 nan 0.000 0.528 270 A N 0.528 123.448 122.820 0.167 0.000 2.409 270 A HA 0.147 4.467 4.320 -0.000 0.000 0.246 270 A C 0.278 177.960 177.584 0.163 0.000 1.099 270 A CA -0.124 52.033 52.037 0.200 0.000 0.789 270 A CB 0.131 19.284 19.000 0.255 0.000 1.053 270 A HN 0.138 nan 8.150 nan 0.000 0.503 271 D N 0.923 121.438 120.400 0.192 0.000 2.347 271 D HA 0.247 4.887 4.640 -0.000 0.000 0.235 271 D C 0.990 177.384 176.300 0.155 0.000 1.149 271 D CA -0.497 53.599 54.000 0.159 0.000 0.850 271 D CB 0.606 41.504 40.800 0.164 0.000 1.061 271 D HN 0.203 nan 8.370 nan 0.000 0.487 272 L N 3.361 124.669 121.223 0.143 0.000 2.093 272 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 272 L C 1.708 178.658 176.870 0.135 0.000 1.085 272 L CA 1.090 56.043 54.840 0.190 0.000 0.755 272 L CB -1.064 41.118 42.059 0.204 0.000 0.904 272 L HN 0.431 nan 8.230 nan 0.000 0.435 273 D N 0.556 121.009 120.400 0.088 0.000 2.092 273 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 273 D C 2.234 178.574 176.300 0.067 0.000 0.994 273 D CA 1.764 55.797 54.000 0.055 0.000 0.828 273 D CB 0.151 40.981 40.800 0.050 0.000 0.963 273 D HN 0.275 nan 8.370 nan 0.000 0.450 274 A N 0.880 123.766 122.820 0.110 0.000 1.930 274 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 274 A C 2.293 179.923 177.584 0.077 0.000 1.175 274 A CA 1.989 54.126 52.037 0.168 0.000 0.627 274 A CB -0.589 18.574 19.000 0.273 0.000 0.815 274 A HN 0.231 nan 8.150 nan 0.000 0.443 275 A N -0.454 122.278 122.820 -0.146 0.000 1.940 275 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 275 A C 2.205 179.816 177.584 0.045 0.000 1.176 275 A CA 1.817 53.527 52.037 -0.545 0.000 0.631 275 A CB -0.833 18.031 19.000 -0.226 0.000 0.814 275 A HN 0.369 nan 8.150 nan 0.000 0.446 276 V N -0.046 119.920 119.914 0.087 0.000 2.307 276 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 276 V C 3.109 179.195 176.094 -0.013 0.000 1.045 276 V CA 2.570 64.842 62.300 -0.047 0.000 1.024 276 V CB -1.346 30.380 31.823 -0.162 0.000 0.651 276 V HN 0.789 nan 8.190 nan 0.000 0.449 277 E N 0.551 120.774 120.200 0.038 0.000 2.058 277 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 277 E C 2.318 178.986 176.600 0.113 0.000 0.997 277 E CA 1.810 58.253 56.400 0.071 0.000 0.801 277 E CB -1.446 28.315 29.700 0.101 0.000 0.746 277 E HN 0.665 nan 8.360 nan 0.000 0.450 278 G N 0.092 109.020 108.800 0.213 0.000 2.422 278 G HA2 0.087 4.046 3.960 -0.000 0.000 0.218 278 G HA3 0.087 4.046 3.960 -0.000 0.000 0.218 278 G C 1.996 176.937 174.900 0.068 0.000 1.140 278 G CA 1.759 47.057 45.100 0.330 0.000 0.775 278 G HN 0.874 nan 8.290 nan 0.000 0.545 279 A N 1.314 124.063 122.820 -0.117 0.000 1.858 279 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 279 A C 2.342 179.889 177.584 -0.062 0.000 1.190 279 A CA 1.414 53.248 52.037 -0.339 0.000 0.617 279 A CB -0.355 18.587 19.000 -0.097 0.000 0.827 279 A HN 0.244 nan 8.150 nan 0.000 0.443 280 I N 0.138 120.726 120.570 0.031 0.000 2.118 280 I HA -0.298 3.872 4.170 -0.000 0.000 0.241 280 I C 2.971 179.157 176.117 0.115 0.000 1.070 280 I CA 1.718 63.108 61.300 0.150 0.000 1.327 280 I CB -1.699 36.342 38.000 0.068 0.000 1.034 280 I HN 0.381 nan 8.210 nan 0.000 0.405 281 A N 0.950 123.800 122.820 0.049 0.000 1.902 281 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 281 A C 2.529 180.105 177.584 -0.013 0.000 1.181 281 A CA 2.537 54.597 52.037 0.038 0.000 0.623 281 A CB -0.816 18.215 19.000 0.052 0.000 0.818 281 A HN 0.581 nan 8.150 nan 0.000 0.443 282 S N -0.834 114.795 115.700 -0.118 0.000 2.414 282 S HA -0.048 4.422 4.470 -0.000 0.000 0.227 282 S C 1.793 176.285 174.600 -0.181 0.000 1.022 282 S CA 1.450 59.513 58.200 -0.229 0.000 0.958 282 S CB -0.101 62.754 63.200 -0.575 0.000 0.797 282 S HN 0.421 nan 8.310 nan 0.000 0.493 283 K N 0.288 120.560 120.400 -0.213 0.000 2.242 283 K HA 0.250 4.570 4.320 -0.000 0.000 0.200 283 K C 0.497 176.855 176.600 -0.404 0.000 1.050 283 K CA 0.706 56.786 56.287 -0.346 0.000 0.981 283 K CB -0.209 32.036 32.500 -0.426 0.000 0.795 283 K HN 0.491 nan 8.250 nan 0.000 0.477 284 Y N 0.447 120.764 120.300 0.029 0.000 2.584 284 Y HA 0.296 4.846 4.550 -0.000 0.000 0.254 284 Y C -0.177 175.745 175.900 0.038 0.000 1.177 284 Y CA -0.684 57.437 58.100 0.036 0.000 1.216 284 Y CB 0.217 38.688 38.460 0.019 0.000 1.172 284 Y HN -0.081 nan 8.280 nan 0.000 0.529 285 R N 0.071 120.652 120.500 0.136 0.000 2.459 285 R HA 0.263 4.603 4.340 -0.000 0.000 0.281 285 R C 0.546 176.906 176.300 0.101 0.000 1.050 285 R CA -0.194 55.972 56.100 0.109 0.000 1.055 285 R CB 0.348 30.703 30.300 0.092 0.000 1.045 285 R HN 0.100 nan 8.270 nan 0.000 0.495 286 N N 1.292 120.031 118.700 0.066 0.000 2.678 286 N HA -0.299 4.441 4.740 -0.000 0.000 0.250 286 N C -0.907 174.657 175.510 0.090 0.000 1.136 286 N CA 1.514 54.584 53.050 0.033 0.000 0.757 286 N CB -1.090 37.383 38.487 -0.022 0.000 1.135 286 N HN 0.957 nan 8.380 nan 0.000 0.565 287 N N -1.279 117.493 118.700 0.120 0.000 2.758 287 N HA -0.144 4.596 4.740 -0.000 0.000 0.248 287 N C 0.723 176.318 175.510 0.142 0.000 1.076 287 N CA 2.218 55.359 53.050 0.152 0.000 0.696 287 N CB -1.538 37.025 38.487 0.127 0.000 0.979 287 N HN 1.177 nan 8.380 nan 0.000 0.550 288 G N -0.874 107.991 108.800 0.109 0.000 2.168 288 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.257 288 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.257 288 G C 0.572 175.583 174.900 0.184 0.000 0.997 288 G CA 0.794 45.938 45.100 0.074 0.000 0.708 288 G HN 0.628 nan 8.290 nan 0.000 0.520 289 Q N 0.029 119.958 119.800 0.214 0.000 2.319 289 Q HA 0.159 4.499 4.340 -0.000 0.000 0.202 289 Q C 1.581 177.680 176.000 0.165 0.000 0.896 289 Q CA 0.686 56.651 55.803 0.270 0.000 0.942 289 Q CB 0.452 29.384 28.738 0.324 0.000 1.083 289 Q HN 0.741 nan 8.270 nan 0.000 0.510 290 T N -2.702 111.989 114.554 0.228 0.000 2.828 290 T HA 0.067 4.416 4.350 -0.000 0.000 0.290 290 T C 1.511 176.359 174.700 0.246 0.000 1.019 290 T CA -0.603 61.661 62.100 0.272 0.000 1.031 290 T CB 1.259 70.334 68.868 0.345 0.000 1.001 290 T HN 0.360 nan 8.240 nan 0.000 0.531 291 C N 0.871 120.285 119.300 0.191 0.000 2.464 291 C HA 0.163 4.623 4.460 -0.000 0.000 0.278 291 C C 2.308 177.396 174.990 0.164 0.000 1.375 291 C CA 0.157 59.290 59.018 0.193 0.000 1.761 291 C CB -1.902 25.918 27.740 0.132 0.000 1.944 291 C HN 0.840 nan 8.230 nan 0.000 0.509 292 V N -2.130 117.898 119.914 0.189 0.000 3.421 292 V HA 0.307 4.427 4.120 -0.000 0.000 0.316 292 V C 0.657 176.898 176.094 0.245 0.000 1.347 292 V CA -0.637 61.779 62.300 0.194 0.000 1.183 292 V CB -2.107 29.864 31.823 0.247 0.000 1.092 292 V HN 0.567 nan 8.190 nan 0.000 0.433 293 C N 2.252 121.653 119.300 0.168 0.000 2.648 293 C HA 0.297 4.757 4.460 -0.000 0.000 0.419 293 C C 1.462 176.485 174.990 0.055 0.000 1.352 293 C CA 0.354 59.431 59.018 0.098 0.000 1.816 293 C CB -0.357 27.424 27.740 0.068 0.000 2.598 293 C HN 0.662 nan 8.230 nan 0.000 0.598 294 T N 4.242 118.793 114.554 -0.004 0.000 2.800 294 T HA -0.095 4.255 4.350 -0.000 0.000 0.283 294 T C 1.057 175.677 174.700 -0.134 0.000 0.999 294 T CA 0.898 62.930 62.100 -0.114 0.000 1.176 294 T CB -0.064 68.505 68.868 -0.499 0.000 0.973 294 T HN 0.789 nan 8.240 nan 0.000 0.519 295 N N 2.738 121.392 118.700 -0.077 0.000 2.250 295 N HA 0.094 4.834 4.740 -0.000 0.000 0.190 295 N C -0.118 175.414 175.510 0.036 0.000 1.116 295 N CA 0.130 53.154 53.050 -0.044 0.000 0.881 295 N CB 0.541 38.997 38.487 -0.052 0.000 1.006 295 N HN 0.481 nan 8.380 nan 0.000 0.491 296 R N -0.019 120.475 120.500 -0.009 0.000 2.605 296 R HA 0.201 4.541 4.340 -0.000 0.000 0.291 296 R C -1.533 174.728 176.300 -0.064 0.000 1.226 296 R CA -0.531 55.587 56.100 0.031 0.000 0.981 296 R CB 0.596 30.801 30.300 -0.159 0.000 1.215 296 R HN -0.029 nan 8.270 nan 0.000 0.428 297 F N 3.021 123.039 119.950 0.114 0.000 2.438 297 F HA 0.317 4.844 4.527 -0.000 0.000 0.356 297 F C 0.106 175.938 175.800 0.053 0.000 1.099 297 F CA 0.144 58.243 58.000 0.166 0.000 1.185 297 F CB 0.542 39.645 39.000 0.171 0.000 1.115 297 F HN 0.313 nan 8.300 nan 0.000 0.526 298 F N 3.497 123.694 119.950 0.411 0.000 2.382 298 F HA 0.529 5.056 4.527 -0.000 0.000 0.361 298 F C -0.523 175.536 175.800 0.432 0.000 1.109 298 F CA -0.935 57.288 58.000 0.372 0.000 1.031 298 F CB 1.161 40.203 39.000 0.069 0.000 1.234 298 F HN -0.004 nan 8.300 nan 0.000 0.445 299 V N 2.884 123.136 119.914 0.563 0.000 2.555 299 V HA 0.284 4.404 4.120 -0.000 0.000 0.302 299 V C 0.104 176.191 176.094 -0.012 0.000 1.038 299 V CA -0.996 61.461 62.300 0.261 0.000 0.887 299 V CB 1.499 33.338 31.823 0.027 0.000 0.991 299 V HN 0.587 nan 8.190 nan 0.000 0.434 300 H N 2.452 121.229 119.070 -0.489 0.000 2.790 300 H HA 0.111 4.667 4.556 -0.000 0.000 0.358 300 H C 1.149 176.291 175.328 -0.310 0.000 1.103 300 H CA 0.750 56.253 56.048 -0.909 0.000 1.426 300 H CB 1.112 30.516 29.762 -0.596 0.000 1.424 300 H HN 0.838 nan 8.280 nan 0.000 0.599 301 E N 3.469 123.541 120.200 -0.213 0.000 2.048 301 E HA -0.221 4.129 4.350 -0.000 0.000 0.202 301 E C 1.803 178.491 176.600 0.147 0.000 1.021 301 E CA 1.244 57.640 56.400 -0.006 0.000 0.825 301 E CB 0.097 29.758 29.700 -0.065 0.000 0.756 301 E HN 0.583 nan 8.360 nan 0.000 0.454 302 R N 0.329 120.968 120.500 0.231 0.000 2.339 302 R HA -0.048 4.292 4.340 -0.000 0.000 0.199 302 R C 1.303 177.654 176.300 0.085 0.000 1.018 302 R CA 0.800 56.966 56.100 0.111 0.000 1.036 302 R CB 0.260 30.592 30.300 0.052 0.000 0.899 302 R HN 0.197 nan 8.270 nan 0.000 0.473 303 V N -4.861 115.122 119.914 0.115 0.000 3.261 303 V HA 0.120 4.240 4.120 -0.000 0.000 0.330 303 V C 1.004 177.194 176.094 0.159 0.000 1.461 303 V CA -0.638 61.728 62.300 0.110 0.000 1.127 303 V CB -0.690 31.175 31.823 0.070 0.000 1.044 303 V HN 0.019 nan 8.190 nan 0.000 0.499 304 Y N 1.983 122.319 120.300 0.060 0.000 2.163 304 Y HA -0.077 4.473 4.550 -0.000 0.000 0.288 304 Y C 2.184 178.149 175.900 0.108 0.000 1.136 304 Y CA 2.440 60.586 58.100 0.078 0.000 1.147 304 Y CB 0.177 38.659 38.460 0.036 0.000 0.987 304 Y HN 0.299 nan 8.280 nan 0.000 0.509 305 D N -0.018 120.523 120.400 0.236 0.000 2.097 305 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 305 D C 2.268 178.595 176.300 0.046 0.000 0.984 305 D CA 1.510 55.593 54.000 0.138 0.000 0.826 305 D CB -0.687 40.193 40.800 0.133 0.000 0.973 305 D HN 0.453 nan 8.370 nan 0.000 0.460 306 A N 0.337 123.199 122.820 0.069 0.000 1.972 306 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 306 A C 2.072 179.676 177.584 0.034 0.000 1.169 306 A CA 0.936 53.001 52.037 0.046 0.000 0.635 306 A CB -0.891 18.147 19.000 0.065 0.000 0.810 306 A HN 0.234 nan 8.150 nan 0.000 0.446 307 F N 0.752 120.646 119.950 -0.094 0.000 2.163 307 F HA 0.037 4.564 4.527 -0.000 0.000 0.297 307 F C 2.509 178.189 175.800 -0.200 0.000 1.094 307 F CA 0.985 58.904 58.000 -0.133 0.000 1.290 307 F CB -0.406 38.514 39.000 -0.132 0.000 1.017 307 F HN 0.246 nan 8.300 nan 0.000 0.483 308 A N 0.184 122.886 122.820 -0.196 0.000 1.877 308 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 308 A C 2.036 179.466 177.584 -0.256 0.000 1.186 308 A CA 2.038 53.902 52.037 -0.288 0.000 0.620 308 A CB -1.090 17.768 19.000 -0.237 0.000 0.822 308 A HN 0.429 nan 8.150 nan 0.000 0.443 309 D N -0.173 120.128 120.400 -0.166 0.000 2.092 309 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 309 D C 1.939 178.133 176.300 -0.176 0.000 0.994 309 D CA 1.572 55.493 54.000 -0.133 0.000 0.828 309 D CB -0.327 40.428 40.800 -0.075 0.000 0.963 309 D HN 0.484 nan 8.370 nan 0.000 0.450 310 K N -0.030 120.242 120.400 -0.212 0.000 2.057 310 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 310 K C 2.151 178.555 176.600 -0.327 0.000 1.049 310 K CA 0.465 56.610 56.287 -0.236 0.000 0.931 310 K CB -0.268 32.097 32.500 -0.224 0.000 0.714 310 K HN 0.026 nan 8.250 nan 0.000 0.440 311 L N 1.063 121.980 121.223 -0.511 0.000 2.017 311 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 311 L C 2.227 178.898 176.870 -0.331 0.000 1.073 311 L CA 1.901 56.418 54.840 -0.539 0.000 0.745 311 L CB -0.690 40.887 42.059 -0.804 0.000 0.894 311 L HN 0.129 nan 8.230 nan 0.000 0.432 312 A N -0.395 122.260 122.820 -0.276 0.000 1.917 312 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 312 A C 2.457 179.940 177.584 -0.167 0.000 1.182 312 A CA 2.205 54.126 52.037 -0.193 0.000 0.633 312 A CB -1.300 17.610 19.000 -0.151 0.000 0.819 312 A HN 0.623 nan 8.150 nan 0.000 0.448 313 A N -0.189 122.534 122.820 -0.162 0.000 1.851 313 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 313 A C 2.534 180.038 177.584 -0.133 0.000 1.195 313 A CA 2.421 54.380 52.037 -0.129 0.000 0.622 313 A CB -1.170 17.761 19.000 -0.115 0.000 0.831 313 A HN 1.200 nan 8.150 nan 0.000 0.444 314 A N -0.882 121.844 122.820 -0.156 0.000 2.015 314 A HA 0.100 4.420 4.320 -0.000 0.000 0.219 314 A C 2.138 179.623 177.584 -0.165 0.000 1.163 314 A CA 1.559 53.511 52.037 -0.142 0.000 0.646 314 A CB -0.691 18.224 19.000 -0.142 0.000 0.806 314 A HN 0.385 nan 8.150 nan 0.000 0.448 315 V N 0.776 120.564 119.914 -0.211 0.000 2.427 315 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 315 V C 2.978 178.942 176.094 -0.218 0.000 1.051 315 V CA 2.157 64.284 62.300 -0.287 0.000 1.048 315 V CB -0.764 30.856 31.823 -0.338 0.000 0.666 315 V HN 0.827 nan 8.190 nan 0.000 0.456 316 S N 1.373 116.980 115.700 -0.156 0.000 2.382 316 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 316 S C 1.917 176.460 174.600 -0.096 0.000 1.027 316 S CA 1.641 59.774 58.200 -0.112 0.000 0.991 316 S CB -0.586 62.560 63.200 -0.091 0.000 0.823 316 S HN 0.609 nan 8.310 nan 0.000 0.469 317 K N 1.134 121.476 120.400 -0.096 0.000 2.591 317 K HA 0.490 4.810 4.320 -0.000 0.000 0.197 317 K C 0.451 177.007 176.600 -0.074 0.000 1.026 317 K CA 0.370 56.612 56.287 -0.074 0.000 1.127 317 K CB -1.072 31.389 32.500 -0.065 0.000 0.871 317 K HN 0.664 nan 8.250 nan 0.000 0.507 318 L N 1.070 122.238 121.223 -0.093 0.000 2.305 318 L HA 0.372 4.712 4.340 -0.000 0.000 0.284 318 L C 0.155 176.984 176.870 -0.069 0.000 1.013 318 L CA -0.886 53.902 54.840 -0.087 0.000 0.819 318 L CB 1.929 43.908 42.059 -0.134 0.000 1.227 318 L HN 0.160 nan 8.230 nan 0.000 0.417 319 K N 2.314 122.683 120.400 -0.051 0.000 2.249 319 K HA 0.428 4.748 4.320 -0.000 0.000 0.280 319 K C -0.891 175.671 176.600 -0.065 0.000 1.033 319 K CA -0.504 55.752 56.287 -0.051 0.000 0.946 319 K CB 1.442 33.917 32.500 -0.042 0.000 1.005 319 K HN 0.330 nan 8.250 nan 0.000 0.469 320 V N 3.478 123.323 119.914 -0.115 0.000 2.350 320 V HA 0.588 4.708 4.120 -0.000 0.000 0.276 320 V C 0.487 176.409 176.094 -0.286 0.000 1.028 320 V CA -0.252 61.927 62.300 -0.202 0.000 0.860 320 V CB 0.848 32.407 31.823 -0.440 0.000 0.990 320 V HN 1.014 nan 8.190 nan 0.000 0.453 321 G N 3.142 111.855 108.800 -0.146 0.000 2.550 321 G HA2 0.672 4.632 3.960 -0.000 0.000 0.293 321 G HA3 0.672 4.632 3.960 -0.000 0.000 0.293 321 G C -0.620 174.342 174.900 0.104 0.000 1.402 321 G CA -0.362 44.618 45.100 -0.200 0.000 0.784 321 G HN 0.838 nan 8.290 nan 0.000 0.482 322 R N -0.772 119.789 120.500 0.102 0.000 2.694 322 R HA 0.584 4.924 4.340 -0.000 0.000 0.268 322 R C 1.702 178.064 176.300 0.105 0.000 1.061 322 R CA 0.922 57.155 56.100 0.222 0.000 1.133 322 R CB -0.187 30.216 30.300 0.172 0.000 1.020 322 R HN 1.993 nan 8.270 nan 0.000 0.475 323 G N -0.203 108.649 108.800 0.088 0.000 2.422 323 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 323 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 323 G C 1.614 176.530 174.900 0.026 0.000 1.146 323 G CA 1.659 46.786 45.100 0.045 0.000 0.769 323 G HN 0.940 nan 8.290 nan 0.000 0.547 324 T N -1.114 113.454 114.554 0.023 0.000 3.007 324 T HA 0.066 4.416 4.350 -0.000 0.000 0.270 324 T C 1.000 175.704 174.700 0.005 0.000 1.107 324 T CA 0.731 62.837 62.100 0.009 0.000 1.118 324 T CB 0.059 68.929 68.868 0.004 0.000 0.889 324 T HN 0.485 nan 8.240 nan 0.000 0.506 325 E N 1.319 121.524 120.200 0.008 0.000 2.374 325 E HA 0.310 4.660 4.350 -0.000 0.000 0.260 325 E C -0.325 176.273 176.600 -0.004 0.000 1.101 325 E CA -0.440 55.959 56.400 -0.003 0.000 0.907 325 E CB 0.773 30.466 29.700 -0.012 0.000 1.014 325 E HN 0.239 nan 8.360 nan 0.000 0.427 326 S N 1.109 116.803 115.700 -0.009 0.000 2.586 326 S HA 0.460 4.930 4.470 -0.000 0.000 0.274 326 S C 0.807 175.400 174.600 -0.011 0.000 1.281 326 S CA 0.384 58.579 58.200 -0.009 0.000 1.035 326 S CB 0.805 63.999 63.200 -0.009 0.000 0.962 326 S HN 0.857 nan 8.310 nan 0.000 0.512 327 G N 2.306 111.101 108.800 -0.009 0.000 2.220 327 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.269 327 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.269 327 G C 0.351 175.243 174.900 -0.013 0.000 0.977 327 G CA 0.297 45.390 45.100 -0.012 0.000 0.634 327 G HN 1.484 nan 8.290 nan 0.000 0.539 328 A N 0.614 123.428 122.820 -0.010 0.000 2.451 328 A HA 0.623 4.942 4.320 -0.000 0.000 0.266 328 A C 1.407 178.994 177.584 0.006 0.000 1.119 328 A CA 1.517 53.550 52.037 -0.007 0.000 0.786 328 A CB 0.200 19.201 19.000 0.002 0.000 1.061 328 A HN 1.385 nan 8.150 nan 0.000 0.503 329 T N 0.271 114.827 114.554 0.004 0.000 3.003 329 T HA 0.416 4.766 4.350 -0.000 0.000 0.261 329 T C 0.107 174.826 174.700 0.031 0.000 1.003 329 T CA 0.121 62.229 62.100 0.013 0.000 0.917 329 T CB -0.311 68.558 68.868 0.001 0.000 1.084 329 T HN 0.348 nan 8.240 nan 0.000 0.522 330 L N 1.812 123.058 121.223 0.039 0.000 2.406 330 L HA 0.721 5.061 4.340 -0.000 0.000 0.270 330 L C 0.648 177.597 176.870 0.131 0.000 0.982 330 L CA -1.047 53.837 54.840 0.074 0.000 0.843 330 L CB 1.938 44.032 42.059 0.058 0.000 1.225 330 L HN 0.286 nan 8.230 nan 0.000 0.412 331 G N 3.105 111.979 108.800 0.122 0.000 2.510 331 G HA2 0.633 4.593 3.960 -0.000 0.000 0.280 331 G HA3 0.633 4.593 3.960 -0.000 0.000 0.280 331 G C -2.746 172.157 174.900 0.005 0.000 1.386 331 G CA -0.991 44.189 45.100 0.133 0.000 1.047 331 G HN 0.308 nan 8.290 nan 0.000 0.527 332 P HA 0.372 nan 4.420 nan 0.000 0.285 332 P C -0.708 176.424 177.300 -0.281 0.000 1.269 332 P CA -0.769 61.929 63.100 -0.669 0.000 0.844 332 P CB 1.450 32.370 31.700 -1.299 0.000 1.094 333 L N 2.171 123.280 121.223 -0.190 0.000 2.461 333 L HA 0.089 4.429 4.340 -0.000 0.000 0.272 333 L C 2.162 178.891 176.870 -0.234 0.000 1.197 333 L CA 0.222 54.982 54.840 -0.133 0.000 0.836 333 L CB -0.744 41.278 42.059 -0.062 0.000 1.105 333 L HN 0.420 nan 8.230 nan 0.000 0.477 334 I N 1.519 121.876 120.570 -0.355 0.000 2.423 334 I HA -0.252 3.918 4.170 -0.000 0.000 0.254 334 I C 0.343 176.227 176.117 -0.387 0.000 1.151 334 I CA 1.048 62.033 61.300 -0.525 0.000 1.421 334 I CB -0.120 37.131 38.000 -1.247 0.000 1.079 334 I HN 1.003 nan 8.210 nan 0.000 0.431 335 N N -2.199 116.327 118.700 -0.290 0.000 3.308 335 N HA 0.021 4.761 4.740 -0.000 0.000 0.276 335 N C 0.140 175.586 175.510 -0.107 0.000 1.533 335 N CA -0.624 52.315 53.050 -0.186 0.000 0.878 335 N CB 0.271 38.637 38.487 -0.203 0.000 1.566 335 N HN -0.242 nan 8.380 nan 0.000 0.546 336 E N -0.486 119.671 120.200 -0.070 0.000 2.158 336 E HA 0.033 4.383 4.350 -0.000 0.000 0.191 336 E C 1.593 178.184 176.600 -0.015 0.000 0.982 336 E CA 1.109 57.493 56.400 -0.027 0.000 0.823 336 E CB -0.239 29.445 29.700 -0.025 0.000 0.766 336 E HN 0.626 nan 8.360 nan 0.000 0.468 337 A N 1.255 124.056 122.820 -0.032 0.000 1.940 337 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 337 A C 2.349 179.932 177.584 -0.002 0.000 1.176 337 A CA 1.977 54.008 52.037 -0.011 0.000 0.631 337 A CB -0.508 18.483 19.000 -0.015 0.000 0.814 337 A HN 0.301 nan 8.150 nan 0.000 0.446 338 A N -0.768 122.034 122.820 -0.031 0.000 2.014 338 A HA 0.139 4.459 4.320 -0.000 0.000 0.218 338 A C 2.143 179.710 177.584 -0.028 0.000 1.163 338 A CA 1.478 53.504 52.037 -0.018 0.000 0.652 338 A CB -0.587 18.376 19.000 -0.061 0.000 0.808 338 A HN 0.364 nan 8.150 nan 0.000 0.449 339 V N 0.258 120.170 119.914 -0.003 0.000 2.323 339 V HA -0.165 3.955 4.120 -0.000 0.000 0.244 339 V C 3.129 179.249 176.094 0.043 0.000 1.041 339 V CA 2.376 64.707 62.300 0.051 0.000 1.025 339 V CB -1.270 30.645 31.823 0.153 0.000 0.656 339 V HN 0.677 nan 8.190 nan 0.000 0.451 340 K N 0.792 121.222 120.400 0.049 0.000 2.044 340 K HA -0.296 4.024 4.320 -0.000 0.000 0.210 340 K C 2.198 178.823 176.600 0.043 0.000 1.049 340 K CA 2.429 58.750 56.287 0.058 0.000 0.927 340 K CB -0.828 31.700 32.500 0.048 0.000 0.713 340 K HN 0.560 nan 8.250 nan 0.000 0.443 341 K N 0.031 120.442 120.400 0.019 0.000 2.032 341 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 341 K C 2.177 178.744 176.600 -0.054 0.000 1.048 341 K CA 1.545 57.842 56.287 0.017 0.000 0.927 341 K CB -0.430 32.070 32.500 -0.001 0.000 0.712 341 K HN 0.184 nan 8.250 nan 0.000 0.441 342 V N 1.676 121.483 119.914 -0.179 0.000 2.287 342 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 342 V C 2.095 178.099 176.094 -0.152 0.000 1.053 342 V CA 2.139 64.251 62.300 -0.312 0.000 1.027 342 V CB -0.591 30.810 31.823 -0.703 0.000 0.646 342 V HN 0.420 nan 8.190 nan 0.000 0.447 343 E N 0.067 120.233 120.200 -0.057 0.000 2.033 343 E HA -0.280 4.070 4.350 -0.000 0.000 0.199 343 E C 2.464 179.134 176.600 0.117 0.000 1.011 343 E CA 1.838 58.314 56.400 0.127 0.000 0.815 343 E CB -0.386 29.424 29.700 0.182 0.000 0.755 343 E HN 0.503 nan 8.360 nan 0.000 0.451 344 S N -0.338 115.430 115.700 0.114 0.000 2.365 344 S HA -0.241 4.229 4.470 -0.000 0.000 0.225 344 S C 1.851 176.539 174.600 0.147 0.000 1.039 344 S CA 1.329 59.605 58.200 0.128 0.000 1.033 344 S CB -0.354 62.934 63.200 0.146 0.000 0.887 344 S HN 0.372 nan 8.310 nan 0.000 0.447 345 H N 0.107 119.183 119.070 0.010 0.000 2.352 345 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 345 H C 2.183 177.519 175.328 0.014 0.000 1.097 345 H CA 1.735 57.788 56.048 0.008 0.000 1.311 345 H CB -0.155 29.600 29.762 -0.011 0.000 1.377 345 H HN 0.427 nan 8.280 nan 0.000 0.504 346 I N 0.553 121.211 120.570 0.145 0.000 2.163 346 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 346 I C 2.971 179.135 176.117 0.078 0.000 1.081 346 I CA 0.824 62.188 61.300 0.106 0.000 1.353 346 I CB -0.435 37.649 38.000 0.140 0.000 1.054 346 I HN 0.163 nan 8.210 nan 0.000 0.407 347 A N 0.714 123.583 122.820 0.083 0.000 1.903 347 A HA -0.366 3.954 4.320 -0.000 0.000 0.219 347 A C 1.976 179.581 177.584 0.035 0.000 1.191 347 A CA 2.703 54.775 52.037 0.059 0.000 0.638 347 A CB -1.044 17.993 19.000 0.062 0.000 0.823 347 A HN 0.520 nan 8.150 nan 0.000 0.451 348 D N -0.795 119.620 120.400 0.024 0.000 2.084 348 D HA -0.028 4.612 4.640 -0.000 0.000 0.194 348 D C 2.102 178.399 176.300 -0.005 0.000 0.990 348 D CA 1.686 55.684 54.000 -0.003 0.000 0.826 348 D CB -0.194 40.580 40.800 -0.044 0.000 0.971 348 D HN 0.380 nan 8.370 nan 0.000 0.453 349 A N 0.148 122.966 122.820 -0.002 0.000 1.933 349 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 349 A C 2.131 179.712 177.584 -0.005 0.000 1.175 349 A CA 0.851 52.880 52.037 -0.012 0.000 0.628 349 A CB -0.563 18.430 19.000 -0.012 0.000 0.814 349 A HN 0.329 nan 8.150 nan 0.000 0.444 350 L N -0.919 120.310 121.223 0.011 0.000 2.109 350 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 350 L C 3.017 179.892 176.870 0.008 0.000 1.086 350 L CA 1.792 56.639 54.840 0.012 0.000 0.760 350 L CB -1.651 40.422 42.059 0.023 0.000 0.910 350 L HN 0.457 nan 8.230 nan 0.000 0.437 351 A N 0.047 122.873 122.820 0.010 0.000 1.940 351 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 351 A C 2.153 179.740 177.584 0.004 0.000 1.176 351 A CA 1.591 53.633 52.037 0.008 0.000 0.631 351 A CB -0.328 18.678 19.000 0.009 0.000 0.814 351 A HN 0.341 nan 8.150 nan 0.000 0.446 352 K N -1.541 118.859 120.400 0.001 0.000 2.417 352 K HA 0.305 4.624 4.320 -0.000 0.000 0.196 352 K C 0.706 177.303 176.600 -0.004 0.000 1.023 352 K CA 0.485 56.772 56.287 -0.000 0.000 1.122 352 K CB 0.152 32.652 32.500 -0.000 0.000 0.850 352 K HN 0.657 nan 8.250 nan 0.000 0.521 353 G N 0.708 109.506 108.800 -0.005 0.000 2.140 353 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.211 353 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.211 353 G C 0.020 174.913 174.900 -0.012 0.000 1.013 353 G CA -0.140 44.956 45.100 -0.006 0.000 0.705 353 G HN 0.394 nan 8.290 nan 0.000 0.508 354 A N -0.198 122.612 122.820 -0.017 0.000 2.304 354 A HA 0.803 5.123 4.320 -0.000 0.000 0.271 354 A C 0.750 178.331 177.584 -0.006 0.000 1.091 354 A CA 0.485 52.509 52.037 -0.023 0.000 0.812 354 A CB 0.808 19.782 19.000 -0.043 0.000 1.056 354 A HN 1.042 nan 8.150 nan 0.000 0.489 355 S N 0.870 116.571 115.700 0.001 0.000 2.422 355 S HA 0.361 4.831 4.470 -0.000 0.000 0.298 355 S C -0.190 174.416 174.600 0.011 0.000 1.118 355 S CA -0.433 57.773 58.200 0.010 0.000 1.083 355 S CB 0.412 63.623 63.200 0.017 0.000 0.971 355 S HN 0.599 nan 8.310 nan 0.000 0.478 356 L N 4.207 125.438 121.223 0.013 0.000 2.490 356 L HA 0.228 4.568 4.340 -0.000 0.000 0.274 356 L C 0.738 177.613 176.870 0.008 0.000 1.201 356 L CA 0.897 55.747 54.840 0.018 0.000 0.869 356 L CB 0.284 42.358 42.059 0.024 0.000 1.123 356 L HN 0.868 nan 8.230 nan 0.000 0.484 357 M N 1.979 121.581 119.600 0.003 0.000 2.564 357 M HA 0.186 4.666 4.480 -0.000 0.000 0.254 357 M C -0.046 176.242 176.300 -0.020 0.000 1.299 357 M CA 0.298 55.589 55.300 -0.015 0.000 1.143 357 M CB 0.677 33.257 32.600 -0.033 0.000 1.427 357 M HN 0.671 nan 8.290 nan 0.000 0.538 358 T N -0.565 113.985 114.554 -0.007 0.000 2.886 358 T HA 0.549 4.899 4.350 -0.000 0.000 0.330 358 T C -0.161 174.552 174.700 0.023 0.000 1.488 358 T CA 0.254 62.348 62.100 -0.010 0.000 1.054 358 T CB 1.228 70.073 68.868 -0.038 0.000 1.348 358 T HN 0.711 nan 8.240 nan 0.000 0.489 359 G N 1.982 110.790 108.800 0.014 0.000 2.582 359 G HA2 0.195 4.155 3.960 -0.000 0.000 0.288 359 G HA3 0.195 4.155 3.960 -0.000 0.000 0.288 359 G C 1.034 175.960 174.900 0.044 0.000 1.247 359 G CA 1.390 46.508 45.100 0.030 0.000 0.972 359 G HN 2.365 nan 8.290 nan 0.000 0.557 360 G N -3.656 105.212 108.800 0.113 0.000 2.253 360 G HA2 0.479 4.439 3.960 -0.000 0.000 0.209 360 G HA3 0.479 4.439 3.960 -0.000 0.000 0.209 360 G C 0.610 175.550 174.900 0.066 0.000 0.997 360 G CA 1.593 46.793 45.100 0.168 0.000 0.640 360 G HN 2.417 nan 8.290 nan 0.000 0.496 361 K N 0.535 120.804 120.400 -0.219 0.000 2.340 361 K HA 0.891 5.211 4.320 -0.000 0.000 0.244 361 K C 0.353 176.441 176.600 -0.855 0.000 0.973 361 K CA -0.361 55.699 56.287 -0.378 0.000 0.828 361 K CB 0.630 33.015 32.500 -0.192 0.000 1.226 361 K HN 0.605 nan 8.250 nan 0.000 0.437 362 R N 1.908 122.003 120.500 -0.675 0.000 2.585 362 R HA 0.039 4.379 4.340 -0.000 0.000 0.275 362 R C 0.419 176.567 176.300 -0.253 0.000 1.018 362 R CA -0.380 55.419 56.100 -0.503 0.000 1.072 362 R CB 0.071 30.289 30.300 -0.136 0.000 0.953 362 R HN 0.750 nan 8.270 nan 0.000 0.419 363 H N 1.827 120.780 119.070 -0.195 0.000 2.790 363 H HA -0.013 4.543 4.556 -0.000 0.000 0.358 363 H C 0.926 176.221 175.328 -0.056 0.000 1.103 363 H CA 0.514 56.508 56.048 -0.090 0.000 1.426 363 H CB 1.167 30.938 29.762 0.015 0.000 1.424 363 H HN 0.782 nan 8.280 nan 0.000 0.599 364 A N 4.778 127.304 122.820 -0.489 0.000 2.093 364 A HA -0.220 4.100 4.320 -0.000 0.000 0.222 364 A C 2.698 180.252 177.584 -0.050 0.000 1.162 364 A CA 2.042 53.920 52.037 -0.264 0.000 0.655 364 A CB -1.114 17.680 19.000 -0.343 0.000 0.805 364 A HN 0.682 nan 8.150 nan 0.000 0.461 365 L N -1.851 119.457 121.223 0.143 0.000 2.599 365 L HA 0.455 4.795 4.340 -0.000 0.000 0.230 365 L C 1.791 178.793 176.870 0.220 0.000 1.141 365 L CA 1.310 56.216 54.840 0.111 0.000 0.877 365 L CB -2.203 39.772 42.059 -0.139 0.000 1.009 365 L HN 1.682 nan 8.230 nan 0.000 0.447 366 G N -1.753 107.178 108.800 0.219 0.000 2.601 366 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.261 366 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.261 366 G C 0.417 175.522 174.900 0.341 0.000 1.289 366 G CA 0.899 46.105 45.100 0.176 0.000 0.920 366 G HN 1.663 nan 8.290 nan 0.000 0.571 367 H N -2.314 116.852 119.070 0.160 0.000 1.452 367 H HA -0.252 4.304 4.556 -0.000 0.000 0.090 367 H C 2.166 177.518 175.328 0.041 0.000 0.910 367 H CA 3.057 59.163 56.048 0.097 0.000 1.901 367 H CB -1.256 28.575 29.762 0.114 0.000 2.257 367 H HN 1.644 nan 8.280 nan 0.000 0.961 368 G N -0.024 108.813 108.800 0.062 0.000 2.712 368 G HA2 0.114 4.073 3.960 -0.000 0.000 0.212 368 G HA3 0.114 4.073 3.960 -0.000 0.000 0.212 368 G C -0.246 174.583 174.900 -0.118 0.000 1.142 368 G CA 0.131 45.157 45.100 -0.122 0.000 0.789 368 G HN 0.208 nan 8.290 nan 0.000 0.535 369 F N 0.469 120.502 119.950 0.138 0.000 2.506 369 F HA 0.465 4.992 4.527 -0.000 0.000 0.371 369 F C -0.105 175.811 175.800 0.193 0.000 1.078 369 F CA -0.805 57.267 58.000 0.121 0.000 1.195 369 F CB 0.413 39.446 39.000 0.056 0.000 1.099 369 F HN -0.064 nan 8.300 nan 0.000 0.548 370 F N 2.647 122.730 119.950 0.221 0.000 2.532 370 F HA 0.338 4.865 4.527 -0.000 0.000 0.321 370 F C 0.110 176.023 175.800 0.188 0.000 1.089 370 F CA -0.965 57.146 58.000 0.185 0.000 0.926 370 F CB 1.165 40.237 39.000 0.120 0.000 1.168 370 F HN 0.418 nan 8.300 nan 0.000 0.459 371 E N 6.248 126.485 120.200 0.063 0.000 2.360 371 E HA 0.156 4.506 4.350 -0.000 0.000 0.269 371 E C -2.262 174.522 176.600 0.307 0.000 1.022 371 E CA -1.925 54.577 56.400 0.171 0.000 0.887 371 E CB 0.685 30.393 29.700 0.014 0.000 0.990 371 E HN 0.175 nan 8.360 nan 0.000 0.426 372 P HA -0.011 nan 4.420 nan 0.000 0.267 372 P C -1.097 176.287 177.300 0.140 0.000 1.209 372 P CA 0.115 63.299 63.100 0.140 0.000 0.763 372 P CB 0.729 32.341 31.700 -0.147 0.000 0.816 373 T N 2.841 117.550 114.554 0.259 0.000 2.841 373 T HA 0.394 4.744 4.350 -0.000 0.000 0.285 373 T C -0.217 174.590 174.700 0.179 0.000 0.991 373 T CA -0.449 61.776 62.100 0.210 0.000 0.966 373 T CB 1.244 70.279 68.868 0.278 0.000 0.962 373 T HN 0.059 nan 8.240 nan 0.000 0.438 374 V N 4.518 124.483 119.914 0.085 0.000 2.555 374 V HA 0.613 4.733 4.120 -0.000 0.000 0.302 374 V C -0.614 175.483 176.094 0.006 0.000 1.038 374 V CA -0.869 61.446 62.300 0.025 0.000 0.887 374 V CB 1.776 33.568 31.823 -0.053 0.000 0.991 374 V HN 0.725 nan 8.190 nan 0.000 0.434 375 L N 4.069 125.285 121.223 -0.011 0.000 2.376 375 L HA 0.587 4.927 4.340 -0.000 0.000 0.275 375 L C 0.420 177.277 176.870 -0.022 0.000 0.987 375 L CA -0.346 54.486 54.840 -0.014 0.000 0.828 375 L CB 2.364 44.412 42.059 -0.019 0.000 1.249 375 L HN 0.843 nan 8.230 nan 0.000 0.409 376 T N -0.982 113.581 114.554 0.015 0.000 2.810 376 T HA 0.528 4.877 4.350 -0.000 0.000 0.277 376 T C 0.968 175.700 174.700 0.055 0.000 0.973 376 T CA 0.182 62.344 62.100 0.103 0.000 0.949 376 T CB 1.482 70.451 68.868 0.169 0.000 1.075 376 T HN 0.978 nan 8.240 nan 0.000 0.537 377 G N 0.224 109.077 108.800 0.087 0.000 2.338 377 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.296 377 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.296 377 G C -0.097 174.748 174.900 -0.091 0.000 1.040 377 G CA 0.088 45.173 45.100 -0.025 0.000 1.004 377 G HN 1.081 nan 8.290 nan 0.000 0.509 378 V N -0.863 118.936 119.914 -0.192 0.000 2.617 378 V HA 0.965 5.085 4.120 -0.000 0.000 0.298 378 V C 0.530 176.423 176.094 -0.334 0.000 1.048 378 V CA 0.192 62.231 62.300 -0.434 0.000 0.964 378 V CB 1.390 32.648 31.823 -0.941 0.000 1.004 378 V HN 1.090 nan 8.190 nan 0.000 0.466 379 K N 3.545 123.862 120.400 -0.138 0.000 2.532 379 K HA 0.672 4.992 4.320 -0.000 0.000 0.265 379 K C -2.697 174.107 176.600 0.339 0.000 0.948 379 K CA -1.511 54.887 56.287 0.185 0.000 0.842 379 K CB 1.035 33.593 32.500 0.097 0.000 1.392 379 K HN 0.424 nan 8.250 nan 0.000 0.436 380 P HA -0.179 nan 4.420 nan 0.000 0.224 380 P C 0.311 177.715 177.300 0.174 0.000 1.142 380 P CA 1.585 64.854 63.100 0.281 0.000 0.778 380 P CB 0.230 32.041 31.700 0.185 0.000 0.764 381 D N -2.430 118.049 120.400 0.131 0.000 2.355 381 D HA -0.042 4.598 4.640 -0.000 0.000 0.218 381 D C 0.623 176.958 176.300 0.058 0.000 1.004 381 D CA 0.400 54.446 54.000 0.077 0.000 0.880 381 D CB -0.695 40.137 40.800 0.054 0.000 0.911 381 D HN 0.182 nan 8.370 nan 0.000 0.528 382 M N 0.668 120.313 119.600 0.074 0.000 2.314 382 M HA 0.151 4.631 4.480 -0.000 0.000 0.342 382 M C 0.693 176.993 176.300 -0.000 0.000 1.171 382 M CA -0.730 54.584 55.300 0.024 0.000 1.098 382 M CB 1.377 33.982 32.600 0.008 0.000 1.559 382 M HN -0.365 nan 8.290 nan 0.000 0.459 383 D N 1.195 121.535 120.400 -0.100 0.000 2.191 383 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 383 D C 1.780 177.958 176.300 -0.204 0.000 1.007 383 D CA 1.387 55.255 54.000 -0.221 0.000 0.865 383 D CB -0.098 40.416 40.800 -0.476 0.000 0.929 383 D HN 0.469 nan 8.370 nan 0.000 0.447 384 V N 0.505 120.315 119.914 -0.173 0.000 2.568 384 V HA -0.220 3.900 4.120 -0.000 0.000 0.253 384 V C 2.051 178.279 176.094 0.224 0.000 1.072 384 V CA 2.079 64.454 62.300 0.125 0.000 1.084 384 V CB -0.462 31.507 31.823 0.242 0.000 0.676 384 V HN 0.258 nan 8.190 nan 0.000 0.469 385 A N -0.859 122.111 122.820 0.250 0.000 2.168 385 A HA 0.055 4.375 4.320 -0.000 0.000 0.215 385 A C 2.101 179.779 177.584 0.156 0.000 1.152 385 A CA 1.820 54.017 52.037 0.267 0.000 0.716 385 A CB -0.438 18.756 19.000 0.324 0.000 0.794 385 A HN 0.674 nan 8.150 nan 0.000 0.465 386 K N -0.560 119.923 120.400 0.138 0.000 2.481 386 K HA 0.398 4.718 4.320 -0.000 0.000 0.210 386 K C 0.116 176.832 176.600 0.193 0.000 1.161 386 K CA 0.475 56.850 56.287 0.146 0.000 1.023 386 K CB 0.256 32.816 32.500 0.100 0.000 0.971 386 K HN 0.566 nan 8.250 nan 0.000 0.577 387 E N 0.407 120.710 120.200 0.172 0.000 2.314 387 E HA 0.263 4.612 4.350 -0.000 0.000 0.272 387 E C -1.426 175.252 176.600 0.131 0.000 0.884 387 E CA -0.510 55.998 56.400 0.180 0.000 0.753 387 E CB 1.824 31.653 29.700 0.215 0.000 1.213 387 E HN 0.383 nan 8.360 nan 0.000 0.432 388 E N 1.475 121.602 120.200 -0.122 0.000 2.324 388 E HA 0.061 4.410 4.350 -0.000 0.000 0.271 388 E C 0.250 176.516 176.600 -0.556 0.000 1.028 388 E CA 0.151 56.280 56.400 -0.452 0.000 0.890 388 E CB 1.166 30.328 29.700 -0.897 0.000 1.004 388 E HN 0.509 nan 8.360 nan 0.000 0.431 389 T N 3.100 117.344 114.554 -0.518 0.000 2.732 389 T HA -0.109 4.241 4.350 -0.000 0.000 0.261 389 T C 0.210 174.746 174.700 -0.272 0.000 1.040 389 T CA 0.407 62.197 62.100 -0.516 0.000 1.145 389 T CB -0.142 68.531 68.868 -0.324 0.000 0.866 389 T HN 0.585 nan 8.240 nan 0.000 0.427 390 F N 0.765 120.660 119.950 -0.092 0.000 3.071 390 F HA -0.050 4.477 4.527 -0.000 0.000 0.295 390 F C 0.762 176.549 175.800 -0.022 0.000 0.919 390 F CA 0.450 58.442 58.000 -0.014 0.000 1.050 390 F CB -1.930 37.108 39.000 0.063 0.000 1.040 390 F HN 0.380 nan 8.300 nan 0.000 0.692 391 G N -1.214 107.618 108.800 0.054 0.000 2.727 391 G HA2 0.703 4.663 3.960 -0.000 0.000 0.289 391 G HA3 0.703 4.663 3.960 -0.000 0.000 0.289 391 G C -2.923 171.981 174.900 0.005 0.000 1.418 391 G CA -1.063 44.037 45.100 -0.001 0.000 0.818 391 G HN -0.200 nan 8.290 nan 0.000 0.486 392 P HA 0.197 nan 4.420 nan 0.000 0.228 392 P C -0.578 176.858 177.300 0.227 0.000 1.748 392 P CA -0.129 63.115 63.100 0.240 0.000 0.909 392 P CB 0.078 32.038 31.700 0.433 0.000 1.882 393 L N 0.845 122.081 121.223 0.021 0.000 2.294 393 L HA 0.628 4.968 4.340 -0.000 0.000 0.283 393 L C -0.255 176.639 176.870 0.040 0.000 1.015 393 L CA -0.844 54.023 54.840 0.045 0.000 0.831 393 L CB 1.129 43.180 42.059 -0.013 0.000 1.217 393 L HN 0.018 nan 8.230 nan 0.000 0.420 394 A N 7.540 130.420 122.820 0.100 0.000 2.582 394 A HA 0.716 5.036 4.320 -0.000 0.000 0.336 394 A C -2.541 175.103 177.584 0.100 0.000 1.445 394 A CA -1.254 50.859 52.037 0.126 0.000 0.997 394 A CB -0.442 18.554 19.000 -0.006 0.000 1.148 394 A HN 0.524 nan 8.150 nan 0.000 0.514 395 P HA 0.335 nan 4.420 nan 0.000 0.297 395 P C -0.672 176.657 177.300 0.048 0.000 1.342 395 P CA -0.088 63.028 63.100 0.027 0.000 0.801 395 P CB 0.959 32.650 31.700 -0.015 0.000 0.920 396 L N 4.749 125.950 121.223 -0.037 0.000 2.268 396 L HA 0.398 4.738 4.340 -0.000 0.000 0.289 396 L C 0.335 177.258 176.870 0.087 0.000 1.064 396 L CA -0.486 54.406 54.840 0.086 0.000 0.824 396 L CB -0.403 41.645 42.059 -0.018 0.000 1.202 396 L HN 0.222 nan 8.230 nan 0.000 0.433 397 F N 2.320 122.330 119.950 0.100 0.000 2.370 397 F HA 0.528 5.055 4.527 -0.000 0.000 0.319 397 F C 0.744 176.735 175.800 0.318 0.000 1.129 397 F CA -0.437 57.614 58.000 0.085 0.000 1.109 397 F CB 0.950 39.784 39.000 -0.276 0.000 1.262 397 F HN 0.422 nan 8.300 nan 0.000 0.534 398 R N 1.430 122.192 120.500 0.438 0.000 2.740 398 R HA 0.646 4.986 4.340 -0.000 0.000 0.282 398 R C -1.774 174.725 176.300 0.332 0.000 0.969 398 R CA -0.698 55.551 56.100 0.248 0.000 0.918 398 R CB 1.666 31.886 30.300 -0.132 0.000 1.175 398 R HN 0.634 nan 8.270 nan 0.000 0.464 399 F N 0.349 120.321 119.950 0.037 0.000 2.619 399 F HA 0.676 5.202 4.527 -0.000 0.000 0.308 399 F C -0.463 175.171 175.800 -0.276 0.000 1.097 399 F CA -0.712 57.243 58.000 -0.075 0.000 0.953 399 F CB 1.575 40.531 39.000 -0.074 0.000 1.287 399 F HN 0.522 nan 8.300 nan 0.000 0.446 400 A N 1.557 124.319 122.820 -0.096 0.000 1.887 400 A HA 0.395 4.715 4.320 -0.000 0.000 0.210 400 A C 0.891 178.408 177.584 -0.113 0.000 1.221 400 A CA 1.065 52.978 52.037 -0.207 0.000 0.635 400 A CB -0.850 18.126 19.000 -0.040 0.000 0.881 400 A HN 1.042 nan 8.150 nan 0.000 0.456 401 S N -1.635 114.158 115.700 0.156 0.000 2.689 401 S HA 0.439 4.909 4.470 -0.000 0.000 0.306 401 S C 0.517 175.337 174.600 0.367 0.000 1.104 401 S CA 0.133 58.487 58.200 0.257 0.000 0.973 401 S CB 1.717 65.014 63.200 0.161 0.000 1.121 401 S HN 0.373 nan 8.310 nan 0.000 0.523 402 E N 0.385 120.820 120.200 0.392 0.000 2.110 402 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 402 E C 1.699 178.388 176.600 0.148 0.000 0.988 402 E CA 1.212 57.846 56.400 0.391 0.000 0.804 402 E CB -0.129 29.765 29.700 0.325 0.000 0.745 402 E HN 0.836 nan 8.360 nan 0.000 0.458 403 E N 0.468 120.730 120.200 0.103 0.000 2.106 403 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 403 E C 1.996 178.588 176.600 -0.012 0.000 0.984 403 E CA 1.037 57.458 56.400 0.036 0.000 0.806 403 E CB 0.009 29.733 29.700 0.040 0.000 0.750 403 E HN 0.288 nan 8.360 nan 0.000 0.458 404 E N 0.395 120.596 120.200 0.003 0.000 2.106 404 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 404 E C 2.311 178.812 176.600 -0.165 0.000 0.984 404 E CA 0.672 57.051 56.400 -0.034 0.000 0.806 404 E CB -0.039 29.685 29.700 0.041 0.000 0.750 404 E HN 0.290 nan 8.360 nan 0.000 0.458 405 L N 0.270 121.316 121.223 -0.295 0.000 2.027 405 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 405 L C 2.288 178.878 176.870 -0.467 0.000 1.074 405 L CA 1.083 55.549 54.840 -0.623 0.000 0.745 405 L CB -0.202 41.216 42.059 -1.068 0.000 0.898 405 L HN 0.003 nan 8.230 nan 0.000 0.433 406 V N 0.198 119.955 119.914 -0.262 0.000 2.252 406 V HA -0.352 3.768 4.120 -0.000 0.000 0.249 406 V C 2.714 178.701 176.094 -0.179 0.000 1.056 406 V CA 2.369 64.561 62.300 -0.178 0.000 1.022 406 V CB -0.824 30.947 31.823 -0.087 0.000 0.641 406 V HN 0.466 nan 8.190 nan 0.000 0.445 407 R N -0.874 119.534 120.500 -0.152 0.000 2.103 407 R HA -0.199 4.141 4.340 -0.000 0.000 0.242 407 R C 2.195 178.395 176.300 -0.166 0.000 1.142 407 R CA 1.539 57.563 56.100 -0.126 0.000 0.960 407 R CB -0.463 29.783 30.300 -0.090 0.000 0.858 407 R HN 0.311 nan 8.270 nan 0.000 0.439 408 L N -0.055 121.009 121.223 -0.265 0.000 2.005 408 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 408 L C 2.431 179.057 176.870 -0.407 0.000 1.072 408 L CA 1.975 56.607 54.840 -0.346 0.000 0.744 408 L CB -1.139 40.604 42.059 -0.526 0.000 0.895 408 L HN 0.154 nan 8.230 nan 0.000 0.433 409 A N -0.686 121.804 122.820 -0.551 0.000 1.972 409 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 409 A C 1.909 179.489 177.584 -0.006 0.000 1.169 409 A CA 1.662 53.504 52.037 -0.325 0.000 0.635 409 A CB -0.564 18.228 19.000 -0.346 0.000 0.810 409 A HN 0.496 nan 8.150 nan 0.000 0.446 410 N N 0.275 118.934 118.700 -0.069 0.000 2.461 410 N HA -0.002 4.738 4.740 -0.000 0.000 0.188 410 N C -0.173 175.278 175.510 -0.098 0.000 1.134 410 N CA 0.459 53.463 53.050 -0.077 0.000 0.878 410 N CB -0.086 38.347 38.487 -0.091 0.000 0.972 410 N HN 0.363 nan 8.380 nan 0.000 0.456 411 D N 0.614 120.965 120.400 -0.081 0.000 2.619 411 D HA 0.117 4.757 4.640 -0.000 0.000 0.224 411 D C -0.743 175.531 176.300 -0.044 0.000 1.133 411 D CA 0.094 54.054 54.000 -0.067 0.000 1.017 411 D CB -0.251 40.516 40.800 -0.056 0.000 1.077 411 D HN -0.030 nan 8.370 nan 0.000 0.503 412 T N -0.885 113.623 114.554 -0.078 0.000 3.087 412 T HA 0.399 4.749 4.350 -0.000 0.000 0.351 412 T C 0.861 175.430 174.700 -0.218 0.000 1.520 412 T CA 0.125 62.176 62.100 -0.081 0.000 1.111 412 T CB 0.796 69.698 68.868 0.058 0.000 1.353 412 T HN 0.013 nan 8.240 nan 0.000 0.481 413 E N 2.506 122.460 120.200 -0.409 0.000 2.333 413 E HA 0.193 4.543 4.350 -0.000 0.000 0.198 413 E C 0.116 176.331 176.600 -0.640 0.000 1.007 413 E CA 1.135 57.171 56.400 -0.607 0.000 0.845 413 E CB -0.432 28.760 29.700 -0.848 0.000 0.766 413 E HN 0.530 nan 8.360 nan 0.000 0.507 414 F N -1.311 118.578 119.950 -0.100 0.000 2.440 414 F HA 0.671 5.198 4.527 -0.000 0.000 0.328 414 F C 1.070 176.703 175.800 -0.277 0.000 1.070 414 F CA -1.061 56.868 58.000 -0.118 0.000 1.011 414 F CB 2.518 41.497 39.000 -0.036 0.000 1.226 414 F HN -0.030 nan 8.300 nan 0.000 0.491 415 G N 1.671 110.423 108.800 -0.079 0.000 3.743 415 G HA2 0.409 4.369 3.960 -0.000 0.000 0.289 415 G HA3 0.409 4.369 3.960 -0.000 0.000 0.289 415 G C -0.954 173.898 174.900 -0.080 0.000 2.097 415 G CA -0.112 44.721 45.100 -0.445 0.000 0.624 415 G HN 0.535 nan 8.290 nan 0.000 0.402 416 L N 1.578 122.897 121.223 0.160 0.000 3.058 416 L HA 0.921 5.261 4.340 -0.000 0.000 0.179 416 L C 1.312 178.188 176.870 0.009 0.000 1.400 416 L CA 1.068 55.924 54.840 0.025 0.000 1.241 416 L CB -0.229 41.814 42.059 -0.026 0.000 1.515 416 L HN 0.460 nan 8.230 nan 0.000 0.724 417 A N -0.709 122.075 122.820 -0.060 0.000 2.294 417 A HA 0.866 5.186 4.320 -0.000 0.000 0.330 417 A C -0.917 176.357 177.584 -0.516 0.000 1.133 417 A CA 0.131 51.994 52.037 -0.289 0.000 0.836 417 A CB 0.827 19.644 19.000 -0.305 0.000 1.190 417 A HN 0.718 nan 8.150 nan 0.000 0.492 418 A N -0.145 122.183 122.820 -0.820 0.000 2.604 418 A HA 0.711 5.031 4.320 -0.000 0.000 0.295 418 A C -1.871 175.170 177.584 -0.904 0.000 1.067 418 A CA -0.439 51.064 52.037 -0.889 0.000 0.683 418 A CB 0.846 19.219 19.000 -1.044 0.000 1.281 418 A HN 0.890 nan 8.150 nan 0.000 0.407 419 Y N -0.122 120.006 120.300 -0.287 0.000 2.477 419 Y HA 0.725 5.275 4.550 -0.000 0.000 0.347 419 Y C -0.452 175.197 175.900 -0.418 0.000 0.981 419 Y CA -0.799 57.105 58.100 -0.326 0.000 1.033 419 Y CB 2.344 40.626 38.460 -0.297 0.000 1.245 419 Y HN 0.747 nan 8.280 nan 0.000 0.455 420 L N 2.912 123.992 121.223 -0.239 0.000 2.422 420 L HA 0.684 5.024 4.340 -0.000 0.000 0.264 420 L C -2.246 174.501 176.870 -0.204 0.000 0.984 420 L CA -0.856 53.886 54.840 -0.162 0.000 0.819 420 L CB 1.679 43.663 42.059 -0.125 0.000 1.330 420 L HN 0.608 nan 8.230 nan 0.000 0.410 421 Y N 3.250 123.525 120.300 -0.043 0.000 2.354 421 Y HA 0.746 5.296 4.550 -0.000 0.000 0.330 421 Y C -0.140 175.849 175.900 0.149 0.000 1.011 421 Y CA -0.182 57.936 58.100 0.031 0.000 1.099 421 Y CB 2.326 40.801 38.460 0.025 0.000 1.179 421 Y HN 0.747 nan 8.280 nan 0.000 0.442 422 S N 2.127 117.951 115.700 0.207 0.000 2.622 422 S HA 0.428 4.898 4.470 -0.000 0.000 0.275 422 S C -0.570 174.074 174.600 0.073 0.000 1.112 422 S CA -0.717 57.577 58.200 0.156 0.000 0.837 422 S CB 1.290 64.527 63.200 0.061 0.000 1.082 422 S HN 0.613 nan 8.310 nan 0.000 0.456 423 R N 1.339 121.875 120.500 0.060 0.000 2.254 423 R HA 0.345 4.685 4.340 -0.000 0.000 0.193 423 R C 0.016 176.327 176.300 0.018 0.000 0.929 423 R CA 0.209 56.335 56.100 0.044 0.000 1.038 423 R CB -0.085 30.249 30.300 0.057 0.000 1.009 423 R HN 0.713 nan 8.270 nan 0.000 0.512 424 D N 1.028 121.425 120.400 -0.005 0.000 2.339 424 D HA -0.055 4.585 4.640 -0.000 0.000 0.256 424 D C 1.276 177.578 176.300 0.004 0.000 1.214 424 D CA -0.035 53.958 54.000 -0.012 0.000 0.877 424 D CB 0.765 41.539 40.800 -0.044 0.000 1.111 424 D HN -0.065 nan 8.370 nan 0.000 0.478 425 I N 4.441 125.034 120.570 0.039 0.000 2.151 425 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 425 I C 2.031 178.242 176.117 0.156 0.000 1.080 425 I CA 1.598 62.959 61.300 0.103 0.000 1.339 425 I CB -0.786 37.271 38.000 0.095 0.000 1.039 425 I HN 0.584 nan 8.210 nan 0.000 0.409 426 G N 0.018 108.861 108.800 0.071 0.000 2.408 426 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 426 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 426 G C 1.883 176.811 174.900 0.048 0.000 1.150 426 G CA 0.504 45.636 45.100 0.054 0.000 0.776 426 G HN 0.331 nan 8.290 nan 0.000 0.542 427 R N 0.054 120.538 120.500 -0.027 0.000 2.075 427 R HA 0.002 4.341 4.340 -0.000 0.000 0.232 427 R C 2.578 178.808 176.300 -0.117 0.000 1.126 427 R CA 1.183 57.207 56.100 -0.127 0.000 0.963 427 R CB -0.386 29.752 30.300 -0.271 0.000 0.858 427 R HN 0.243 nan 8.270 nan 0.000 0.435 428 V N 0.072 119.946 119.914 -0.066 0.000 2.287 428 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 428 V C 1.876 177.937 176.094 -0.056 0.000 1.053 428 V CA 2.072 64.324 62.300 -0.081 0.000 1.027 428 V CB -0.581 31.187 31.823 -0.091 0.000 0.646 428 V HN 0.460 nan 8.190 nan 0.000 0.447 429 W N 0.217 121.471 121.300 -0.077 0.000 2.358 429 W HA -0.133 4.527 4.660 -0.000 0.000 0.303 429 W C 2.809 179.293 176.519 -0.059 0.000 1.208 429 W CA 1.747 59.056 57.345 -0.060 0.000 1.274 429 W CB -0.323 29.107 29.460 -0.050 0.000 1.138 429 W HN 0.067 nan 8.180 nan 0.000 0.515 430 R N -0.409 120.194 120.500 0.172 0.000 2.080 430 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 430 R C 1.861 178.182 176.300 0.035 0.000 1.137 430 R CA 2.078 58.228 56.100 0.084 0.000 0.943 430 R CB -1.197 29.122 30.300 0.032 0.000 0.846 430 R HN 0.130 nan 8.270 nan 0.000 0.431 431 V N 0.928 120.841 119.914 -0.001 0.000 2.307 431 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 431 V C 2.488 178.561 176.094 -0.036 0.000 1.045 431 V CA 1.895 64.190 62.300 -0.008 0.000 1.024 431 V CB -0.852 30.986 31.823 0.025 0.000 0.651 431 V HN 0.400 nan 8.190 nan 0.000 0.449 432 A N -0.450 122.324 122.820 -0.076 0.000 1.940 432 A HA -0.257 4.062 4.320 -0.000 0.000 0.219 432 A C 2.221 179.758 177.584 -0.078 0.000 1.176 432 A CA 2.016 53.977 52.037 -0.126 0.000 0.631 432 A CB -0.438 18.412 19.000 -0.249 0.000 0.814 432 A HN 0.638 nan 8.150 nan 0.000 0.446 433 E N -0.574 119.615 120.200 -0.019 0.000 2.046 433 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 433 E C 2.322 178.923 176.600 0.002 0.000 0.982 433 E CA 0.870 57.280 56.400 0.017 0.000 0.800 433 E CB -0.245 29.506 29.700 0.084 0.000 0.756 433 E HN 0.597 nan 8.360 nan 0.000 0.449 434 A N 1.139 123.960 122.820 0.002 0.000 2.067 434 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 434 A C 1.237 178.815 177.584 -0.011 0.000 1.158 434 A CA 0.380 52.412 52.037 -0.008 0.000 0.661 434 A CB -0.384 18.611 19.000 -0.009 0.000 0.801 434 A HN 0.093 nan 8.150 nan 0.000 0.452 435 L N 1.381 122.606 121.223 0.003 0.000 2.418 435 L HA 0.064 4.404 4.340 -0.000 0.000 0.274 435 L C 0.101 177.025 176.870 0.089 0.000 1.135 435 L CA -0.142 54.742 54.840 0.074 0.000 0.870 435 L CB 0.552 42.650 42.059 0.064 0.000 1.154 435 L HN 0.324 nan 8.230 nan 0.000 0.462 436 E N 4.756 124.964 120.200 0.013 0.000 1.972 436 E HA 0.143 4.493 4.350 -0.000 0.000 0.292 436 E C -1.369 174.976 176.600 -0.425 0.000 1.193 436 E CA 0.026 56.319 56.400 -0.178 0.000 1.228 436 E CB 0.028 29.589 29.700 -0.233 0.000 1.167 436 E HN 0.364 nan 8.360 nan 0.000 0.479 437 Y N -1.438 118.791 120.300 -0.117 0.000 2.492 437 Y HA 0.283 4.833 4.550 -0.000 0.000 0.346 437 Y C 1.346 177.153 175.900 -0.154 0.000 0.997 437 Y CA -0.964 57.054 58.100 -0.136 0.000 1.025 437 Y CB 1.817 40.180 38.460 -0.163 0.000 1.263 437 Y HN 0.248 nan 8.280 nan 0.000 0.454 438 G N 1.852 110.631 108.800 -0.035 0.000 2.422 438 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.218 438 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.218 438 G C 0.172 174.991 174.900 -0.135 0.000 1.140 438 G CA 0.630 45.663 45.100 -0.112 0.000 0.775 438 G HN 0.453 nan 8.290 nan 0.000 0.545 439 M N 0.124 119.642 119.600 -0.137 0.000 2.326 439 M HA 0.483 4.963 4.480 -0.000 0.000 0.292 439 M C -1.761 174.396 176.300 -0.238 0.000 1.081 439 M CA -0.515 54.673 55.300 -0.187 0.000 0.919 439 M CB 3.457 35.916 32.600 -0.234 0.000 1.634 439 M HN -0.248 nan 8.290 nan 0.000 0.451 440 V N 1.455 121.229 119.914 -0.235 0.000 2.577 440 V HA 0.742 4.861 4.120 -0.000 0.000 0.303 440 V C 0.119 176.063 176.094 -0.249 0.000 1.042 440 V CA -0.766 61.357 62.300 -0.296 0.000 0.872 440 V CB 1.956 33.631 31.823 -0.246 0.000 0.998 440 V HN 1.006 nan 8.190 nan 0.000 0.423 441 G N 4.442 113.086 108.800 -0.260 0.000 2.322 441 G HA2 0.708 4.668 3.960 -0.000 0.000 0.309 441 G HA3 0.708 4.668 3.960 -0.000 0.000 0.309 441 G C -0.753 174.054 174.900 -0.156 0.000 1.121 441 G CA -0.439 44.600 45.100 -0.102 0.000 0.886 441 G HN 0.633 nan 8.290 nan 0.000 0.447 442 I N 2.265 122.718 120.570 -0.194 0.000 2.339 442 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 442 I C -0.058 175.847 176.117 -0.352 0.000 0.994 442 I CA -0.775 60.362 61.300 -0.271 0.000 1.191 442 I CB 1.522 39.381 38.000 -0.236 0.000 1.343 442 I HN 0.458 nan 8.210 nan 0.000 0.458 443 N N 2.289 120.587 118.700 -0.670 0.000 2.708 443 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 443 N C -0.240 174.893 175.510 -0.629 0.000 1.097 443 N CA 1.311 53.774 53.050 -0.979 0.000 0.710 443 N CB -0.950 37.324 38.487 -0.354 0.000 1.032 443 N HN 0.797 nan 8.380 nan 0.000 0.551 444 T N -3.207 111.077 114.554 -0.451 0.000 2.885 444 T HA 0.594 4.944 4.350 -0.000 0.000 0.322 444 T C 0.787 175.624 174.700 0.228 0.000 1.387 444 T CA 0.049 62.180 62.100 0.051 0.000 1.041 444 T CB 1.407 70.306 68.868 0.051 0.000 1.287 444 T HN 0.056 nan 8.240 nan 0.000 0.491 445 G N 1.806 110.781 108.800 0.291 0.000 3.126 445 G HA2 0.394 4.354 3.960 -0.000 0.000 0.224 445 G HA3 0.394 4.354 3.960 -0.000 0.000 0.224 445 G C -0.033 174.894 174.900 0.045 0.000 1.142 445 G CA -0.035 45.137 45.100 0.120 0.000 0.759 445 G HN 0.569 nan 8.290 nan 0.000 0.550 446 L N 1.025 122.331 121.223 0.139 0.000 2.341 446 L HA 0.553 4.893 4.340 -0.000 0.000 0.278 446 L C 0.588 177.542 176.870 0.140 0.000 1.005 446 L CA -0.740 54.174 54.840 0.123 0.000 0.818 446 L CB 2.022 44.124 42.059 0.072 0.000 1.259 446 L HN 0.263 nan 8.230 nan 0.000 0.418 447 I N -2.453 118.206 120.570 0.149 0.000 4.887 447 I HA 0.226 4.396 4.170 -0.000 0.000 0.349 447 I C 0.031 176.212 176.117 0.107 0.000 1.266 447 I CA -0.101 61.275 61.300 0.126 0.000 1.376 447 I CB 1.046 39.137 38.000 0.152 0.000 1.556 447 I HN 0.317 nan 8.210 nan 0.000 0.530 448 S N 3.819 119.570 115.700 0.086 0.000 2.448 448 S HA 0.520 4.990 4.470 -0.000 0.000 0.279 448 S C -0.365 174.292 174.600 0.095 0.000 1.195 448 S CA -0.441 57.812 58.200 0.089 0.000 1.051 448 S CB 0.121 63.266 63.200 -0.092 0.000 0.948 448 S HN 0.711 nan 8.310 nan 0.000 0.493 449 N N 0.626 119.420 118.700 0.158 0.000 2.972 449 N HA 0.276 5.016 4.740 -0.000 0.000 0.262 449 N C 0.214 175.633 175.510 -0.152 0.000 1.478 449 N CA -1.017 52.071 53.050 0.063 0.000 0.841 449 N CB 0.514 38.971 38.487 -0.050 0.000 1.512 449 N HN 0.344 nan 8.380 nan 0.000 0.548 450 E N -0.417 119.456 120.200 -0.545 0.000 2.435 450 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 450 E C 0.898 176.868 176.600 -1.050 0.000 1.029 450 E CA 0.801 56.612 56.400 -0.981 0.000 0.865 450 E CB -0.151 28.766 29.700 -1.305 0.000 0.833 450 E HN 0.448 nan 8.360 nan 0.000 0.510 451 V N -0.468 118.940 119.914 -0.844 0.000 3.565 451 V HA 0.464 4.584 4.120 -0.000 0.000 0.260 451 V C 0.886 176.735 176.094 -0.409 0.000 1.231 451 V CA 0.373 62.089 62.300 -0.973 0.000 1.100 451 V CB 0.077 31.453 31.823 -0.745 0.000 0.807 451 V HN 0.262 nan 8.190 nan 0.000 0.454 452 A N 2.812 125.504 122.820 -0.214 0.000 2.309 452 A HA 0.771 5.091 4.320 -0.000 0.000 0.298 452 A C -2.566 175.049 177.584 0.051 0.000 1.165 452 A CA -1.745 50.268 52.037 -0.039 0.000 0.821 452 A CB 0.212 19.215 19.000 0.005 0.000 1.102 452 A HN 0.421 nan 8.150 nan 0.000 0.500 453 P HA 0.209 nan 4.420 nan 0.000 0.271 453 P C -1.110 176.266 177.300 0.126 0.000 1.220 453 P CA 0.324 63.494 63.100 0.117 0.000 0.768 453 P CB 0.358 32.063 31.700 0.010 0.000 0.848 454 F N 3.406 123.370 119.950 0.024 0.000 2.449 454 F HA 0.679 5.206 4.527 -0.000 0.000 0.342 454 F C 0.176 175.973 175.800 -0.005 0.000 1.127 454 F CA 0.446 58.455 58.000 0.015 0.000 0.975 454 F CB 1.630 40.662 39.000 0.053 0.000 1.146 454 F HN 0.650 nan 8.300 nan 0.000 0.444 455 G N 2.650 111.128 108.800 -0.537 0.000 2.320 455 G HA2 0.453 4.413 3.960 -0.000 0.000 0.297 455 G HA3 0.453 4.413 3.960 -0.000 0.000 0.297 455 G C -1.572 173.138 174.900 -0.316 0.000 1.344 455 G CA -0.214 44.673 45.100 -0.356 0.000 0.851 455 G HN 1.040 nan 8.290 nan 0.000 0.567 456 G N -1.844 106.839 108.800 -0.195 0.000 3.015 456 G HA2 1.004 4.964 3.960 -0.000 0.000 0.281 456 G HA3 1.004 4.964 3.960 -0.000 0.000 0.281 456 G C -0.255 174.582 174.900 -0.104 0.000 1.386 456 G CA 0.295 45.309 45.100 -0.144 0.000 0.959 456 G HN 1.972 nan 8.290 nan 0.000 0.522 457 V N -3.143 116.708 119.914 -0.106 0.000 3.181 457 V HA 0.855 4.975 4.120 -0.000 0.000 0.314 457 V C 0.717 176.751 176.094 -0.100 0.000 1.173 457 V CA -0.224 62.012 62.300 -0.107 0.000 1.052 457 V CB 1.036 32.780 31.823 -0.132 0.000 1.123 457 V HN 1.114 nan 8.190 nan 0.000 0.454 458 K N -0.985 119.354 120.400 -0.103 0.000 1.779 458 K HA -0.241 4.079 4.320 -0.000 0.000 0.128 458 K C 0.980 177.543 176.600 -0.063 0.000 1.288 458 K CA 1.866 58.088 56.287 -0.108 0.000 0.398 458 K CB -1.289 31.112 32.500 -0.165 0.000 0.609 458 K HN 0.789 nan 8.250 nan 0.000 0.874 459 Q N 0.578 120.341 119.800 -0.061 0.000 2.322 459 Q HA 0.140 4.480 4.340 -0.000 0.000 0.203 459 Q C 0.734 176.868 176.000 0.223 0.000 0.923 459 Q CA 0.745 56.566 55.803 0.029 0.000 0.949 459 Q CB 0.667 29.318 28.738 -0.144 0.000 1.039 459 Q HN 0.367 nan 8.270 nan 0.000 0.496 460 S N -0.301 115.487 115.700 0.146 0.000 2.575 460 S HA 0.368 4.838 4.470 -0.000 0.000 0.215 460 S C 0.830 175.467 174.600 0.061 0.000 0.966 460 S CA 0.362 58.636 58.200 0.124 0.000 0.911 460 S CB 0.484 63.720 63.200 0.060 0.000 0.780 460 S HN 0.601 nan 8.310 nan 0.000 0.514 461 G N 1.145 109.976 108.800 0.052 0.000 2.466 461 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.316 461 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.316 461 G C -1.261 173.641 174.900 0.003 0.000 1.270 461 G CA -0.640 44.484 45.100 0.041 0.000 0.982 461 G HN 0.453 nan 8.290 nan 0.000 0.506 462 L N -1.494 119.732 121.223 0.005 0.000 2.283 462 L HA 0.993 5.333 4.340 -0.000 0.000 0.259 462 L C 1.007 177.870 176.870 -0.012 0.000 1.027 462 L CA -0.445 54.387 54.840 -0.014 0.000 0.828 462 L CB 1.245 43.294 42.059 -0.015 0.000 1.380 462 L HN 2.833 nan 8.230 nan 0.000 0.425 463 G N 0.248 109.035 108.800 -0.021 0.000 2.829 463 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.628 463 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.628 463 G C -1.068 173.833 174.900 0.001 0.000 1.412 463 G CA -0.777 44.317 45.100 -0.010 0.000 0.864 463 G HN 0.694 nan 8.290 nan 0.000 0.544 464 R N 0.097 120.622 120.500 0.042 0.000 2.808 464 R HA 0.671 5.011 4.340 -0.000 0.000 0.272 464 R C -0.471 175.938 176.300 0.182 0.000 0.995 464 R CA -0.753 55.396 56.100 0.081 0.000 0.917 464 R CB 1.950 32.265 30.300 0.024 0.000 1.217 464 R HN 0.752 nan 8.270 nan 0.000 0.471 465 E N -0.413 119.936 120.200 0.248 0.000 2.288 465 E HA 0.596 4.946 4.350 -0.000 0.000 0.268 465 E C -0.331 176.486 176.600 0.362 0.000 0.885 465 E CA -0.513 56.066 56.400 0.298 0.000 0.767 465 E CB 2.445 32.252 29.700 0.178 0.000 1.220 465 E HN 0.780 nan 8.360 nan 0.000 0.427 466 G N 1.705 110.825 108.800 0.534 0.000 2.725 466 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.220 466 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.220 466 G C 0.010 175.016 174.900 0.176 0.000 1.357 466 G CA -0.138 45.173 45.100 0.353 0.000 0.866 466 G HN 1.596 nan 8.290 nan 0.000 0.548 467 S N -2.514 113.068 115.700 -0.196 0.000 3.323 467 S HA -0.301 4.169 4.470 -0.000 0.000 0.637 467 S C 1.259 176.082 174.600 0.372 0.000 2.667 467 S CA 1.912 60.100 58.200 -0.019 0.000 2.852 467 S CB -1.133 62.100 63.200 0.054 0.000 0.331 467 S HN 2.714 nan 8.310 nan 0.000 1.796 468 H N 0.016 119.258 119.070 0.287 0.000 2.547 468 H HA 0.037 4.593 4.556 -0.000 0.000 0.272 468 H C 1.654 177.055 175.328 0.121 0.000 0.989 468 H CA 1.478 57.625 56.048 0.166 0.000 1.214 468 H CB -0.548 29.197 29.762 -0.030 0.000 1.389 468 H HN 0.680 nan 8.280 nan 0.000 0.577 469 Y N 1.983 122.224 120.300 -0.098 0.000 2.373 469 Y HA 0.043 4.593 4.550 -0.000 0.000 0.293 469 Y C 2.900 178.915 175.900 0.193 0.000 1.129 469 Y CA 0.876 58.980 58.100 0.006 0.000 1.226 469 Y CB -0.479 37.924 38.460 -0.096 0.000 1.000 469 Y HN 0.356 nan 8.280 nan 0.000 0.549 470 G N 0.217 109.302 108.800 0.475 0.000 2.459 470 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 470 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 470 G C 1.749 176.960 174.900 0.519 0.000 1.183 470 G CA 1.106 46.535 45.100 0.550 0.000 0.776 470 G HN 0.466 nan 8.290 nan 0.000 0.552 471 I N 0.574 121.484 120.570 0.567 0.000 2.567 471 I HA -0.108 4.062 4.170 -0.000 0.000 0.257 471 I C 1.891 178.233 176.117 0.375 0.000 1.184 471 I CA 1.041 62.607 61.300 0.442 0.000 1.451 471 I CB -0.049 38.188 38.000 0.394 0.000 1.089 471 I HN 0.039 nan 8.210 nan 0.000 0.441 472 D N 1.060 121.646 120.400 0.309 0.000 2.123 472 D HA -0.222 4.418 4.640 -0.000 0.000 0.196 472 D C 1.588 177.984 176.300 0.161 0.000 0.992 472 D CA 1.415 55.550 54.000 0.224 0.000 0.833 472 D CB -0.349 40.586 40.800 0.225 0.000 0.954 472 D HN 0.455 nan 8.370 nan 0.000 0.455 473 D N -0.706 119.760 120.400 0.111 0.000 2.348 473 D HA -0.107 4.533 4.640 -0.000 0.000 0.216 473 D C 1.182 177.372 176.300 -0.184 0.000 0.970 473 D CA 0.477 54.435 54.000 -0.070 0.000 0.889 473 D CB 0.052 40.745 40.800 -0.178 0.000 0.912 473 D HN 0.401 nan 8.370 nan 0.000 0.524 474 Y N 0.192 120.526 120.300 0.056 0.000 2.462 474 Y HA 0.054 4.604 4.550 -0.000 0.000 0.261 474 Y C 1.142 177.080 175.900 0.063 0.000 1.146 474 Y CA -0.320 57.803 58.100 0.039 0.000 1.283 474 Y CB 0.479 38.953 38.460 0.023 0.000 1.090 474 Y HN -0.207 nan 8.280 nan 0.000 0.526 475 V N -2.227 117.807 119.914 0.202 0.000 3.096 475 V HA 0.738 4.858 4.120 -0.000 0.000 0.319 475 V C -0.450 175.716 176.094 0.120 0.000 1.082 475 V CA -1.136 61.263 62.300 0.164 0.000 1.022 475 V CB 1.969 33.884 31.823 0.154 0.000 1.103 475 V HN -0.263 nan 8.190 nan 0.000 0.455 476 V N 2.935 122.921 119.914 0.120 0.000 2.789 476 V HA 0.590 4.710 4.120 -0.000 0.000 0.311 476 V C -0.387 175.765 176.094 0.097 0.000 1.073 476 V CA -0.542 61.818 62.300 0.100 0.000 0.921 476 V CB 1.880 33.766 31.823 0.105 0.000 1.009 476 V HN 1.092 nan 8.190 nan 0.000 0.426 477 I N 3.235 123.857 120.570 0.087 0.000 2.437 477 I HA 0.675 4.845 4.170 -0.000 0.000 0.298 477 I C -0.652 175.522 176.117 0.094 0.000 0.984 477 I CA -0.273 61.080 61.300 0.088 0.000 1.214 477 I CB 1.291 39.340 38.000 0.082 0.000 1.365 477 I HN 0.659 nan 8.210 nan 0.000 0.469 478 K N 5.737 126.196 120.400 0.098 0.000 2.463 478 K HA 0.299 4.619 4.320 -0.000 0.000 0.255 478 K C -1.978 174.708 176.600 0.144 0.000 0.942 478 K CA -0.732 55.615 56.287 0.100 0.000 0.814 478 K CB 1.486 34.023 32.500 0.063 0.000 1.122 478 K HN 0.710 nan 8.250 nan 0.000 0.425 479 Y N 6.029 126.341 120.300 0.021 0.000 2.335 479 Y HA 0.390 4.940 4.550 -0.000 0.000 0.339 479 Y C -1.558 174.349 175.900 0.012 0.000 0.987 479 Y CA -0.985 57.125 58.100 0.016 0.000 1.140 479 Y CB 0.651 39.121 38.460 0.017 0.000 1.173 479 Y HN 0.442 nan 8.280 nan 0.000 0.486 480 L N 7.336 128.465 121.223 -0.156 0.000 2.282 480 L HA 0.402 4.742 4.340 -0.000 0.000 0.288 480 L C -0.502 176.143 176.870 -0.375 0.000 1.033 480 L CA -0.800 53.863 54.840 -0.294 0.000 0.807 480 L CB 1.370 43.368 42.059 -0.102 0.000 1.209 480 L HN 0.769 nan 8.230 nan 0.000 0.423 481 C N 5.303 124.305 119.300 -0.495 0.000 2.206 481 C HA 0.558 5.018 4.460 -0.000 0.000 0.324 481 C C 0.207 175.131 174.990 -0.111 0.000 1.120 481 C CA -0.485 58.383 59.018 -0.250 0.000 1.546 481 C CB -0.284 27.294 27.740 -0.271 0.000 2.023 481 C HN 0.576 nan 8.230 nan 0.000 0.448 482 V N 6.700 126.587 119.914 -0.045 0.000 2.364 482 V HA 0.503 4.623 4.120 -0.000 0.000 0.272 482 V C 0.956 177.043 176.094 -0.012 0.000 1.036 482 V CA -0.256 62.026 62.300 -0.031 0.000 0.880 482 V CB 0.834 32.646 31.823 -0.020 0.000 0.991 482 V HN 1.012 nan 8.190 nan 0.000 0.460 483 A N 5.083 127.893 122.820 -0.016 0.000 2.454 483 A HA 0.570 4.890 4.320 -0.000 0.000 0.260 483 A C -0.035 177.546 177.584 -0.005 0.000 1.106 483 A CA 0.061 52.094 52.037 -0.007 0.000 0.780 483 A CB 0.799 19.793 19.000 -0.010 0.000 1.044 483 A HN 0.803 nan 8.150 nan 0.000 0.498 484 V N 0.000 119.914 119.914 0.000 0.000 2.409 484 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 484 V CA 0.000 62.300 62.300 0.000 0.000 1.235 484 V CB 0.000 31.825 31.823 0.003 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556