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 1s4e_1_I DATA FIRST_RESID 2 DATA SEQUENCE SKITVKSPGR VNLIGEHTDY TYGYVXPXAI DLYTIITAEK YDKVQLYSEH DATA SEQUENCE FNEEKTFTLD NLTKEGSWID YVKGVLWVLI QEGYKIGGLK GKITGDLPLG DATA SEQUENCE AGLSSSASFE VGILEVLNQL YNLNIDPLKK ALLAKKAENE FVGVPCGILD DATA SEQUENCE QFAVVFGKKD NVIFLDTQTL QYEYIPFPKD VSVLVFYTGV KRELASSEYA DATA SEQUENCE ERKRIAEESL RILGKESSKE VTEKDLGKLP PLHRKFFSYI VRENARVLEV DATA SEQUENCE RDALKEGDIE KVGKILTTAH WDLAENYRVS CEELDFFVKK AXELGAYGAR DATA SEQUENCE LTGAGFGGSA IALVDKDKAK TIGDAILREY LAKFSWKAKY FVVKPSDGVG DATA SEQUENCE V 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.565 174.600 -0.058 0.000 1.055 2 S CA 0.000 58.167 58.200 -0.055 0.000 1.107 2 S CB 0.000 63.162 63.200 -0.063 0.000 0.593 3 K N 2.815 123.186 120.400 -0.049 0.000 2.383 3 K HA 0.402 4.722 4.320 -0.000 0.000 0.286 3 K C 0.179 176.750 176.600 -0.047 0.000 1.051 3 K CA 0.087 56.346 56.287 -0.047 0.000 0.974 3 K CB 0.550 33.024 32.500 -0.042 0.000 0.968 3 K HN 0.637 nan 8.250 nan 0.000 0.475 4 I N -0.697 119.845 120.570 -0.047 0.000 2.846 4 I HA 0.486 4.656 4.170 -0.000 0.000 0.307 4 I C -0.662 175.432 176.117 -0.038 0.000 1.053 4 I CA -0.660 60.612 61.300 -0.046 0.000 1.050 4 I CB 2.476 40.444 38.000 -0.053 0.000 1.239 4 I HN 0.211 nan 8.210 nan 0.000 0.439 5 T N 3.675 118.204 114.554 -0.042 0.000 2.812 5 T HA 0.533 4.883 4.350 -0.000 0.000 0.282 5 T C -0.568 174.104 174.700 -0.046 0.000 0.990 5 T CA -0.404 61.672 62.100 -0.040 0.000 0.960 5 T CB 1.765 70.605 68.868 -0.048 0.000 0.948 5 T HN 0.422 nan 8.240 nan 0.000 0.438 6 V N 3.715 123.607 119.914 -0.035 0.000 2.409 6 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 6 V C 0.088 176.161 176.094 -0.035 0.000 1.020 6 V CA -0.905 61.373 62.300 -0.037 0.000 0.848 6 V CB 1.621 33.431 31.823 -0.022 0.000 0.990 6 V HN 0.707 nan 8.190 nan 0.000 0.430 7 K N 2.477 122.837 120.400 -0.067 0.000 2.258 7 K HA 0.564 4.884 4.320 -0.000 0.000 0.284 7 K C 0.098 176.734 176.600 0.060 0.000 1.051 7 K CA -0.348 55.894 56.287 -0.075 0.000 0.923 7 K CB 1.648 33.958 32.500 -0.317 0.000 1.046 7 K HN 0.781 nan 8.250 nan 0.000 0.474 8 S N 3.915 119.715 115.700 0.166 0.000 2.707 8 S HA 0.494 4.964 4.470 -0.000 0.000 0.303 8 S C -2.660 172.033 174.600 0.156 0.000 1.132 8 S CA -1.860 56.422 58.200 0.138 0.000 1.046 8 S CB 1.024 64.262 63.200 0.062 0.000 1.004 8 S HN 0.461 nan 8.310 nan 0.000 0.483 9 P HA 0.307 nan 4.420 nan 0.000 0.274 9 P C 0.459 177.632 177.300 -0.211 0.000 1.246 9 P CA -0.115 62.834 63.100 -0.252 0.000 0.795 9 P CB 0.469 32.021 31.700 -0.246 0.000 1.006 10 G N 0.889 109.504 108.800 -0.307 0.000 2.531 10 G HA2 0.641 4.601 3.960 -0.000 0.000 0.281 10 G HA3 0.641 4.601 3.960 -0.000 0.000 0.281 10 G C -0.391 174.390 174.900 -0.198 0.000 1.382 10 G CA -0.548 44.412 45.100 -0.235 0.000 1.045 10 G HN 0.762 nan 8.290 nan 0.000 0.533 11 R N -3.099 117.302 120.500 -0.165 0.000 2.716 11 R HA 0.735 5.075 4.340 -0.000 0.000 0.271 11 R C -2.076 174.160 176.300 -0.107 0.000 1.028 11 R CA -0.775 55.254 56.100 -0.118 0.000 0.883 11 R CB 1.339 31.601 30.300 -0.064 0.000 1.250 11 R HN 0.678 nan 8.270 nan 0.000 0.465 12 V N 1.083 120.947 119.914 -0.083 0.000 2.971 12 V HA 0.541 4.661 4.120 -0.000 0.000 0.309 12 V C -1.433 174.635 176.094 -0.042 0.000 1.130 12 V CA -0.838 61.421 62.300 -0.068 0.000 0.964 12 V CB 2.583 34.358 31.823 -0.081 0.000 1.029 12 V HN 0.861 nan 8.190 nan 0.000 0.427 13 N N 2.487 121.171 118.700 -0.026 0.000 2.392 13 N HA 0.367 5.107 4.740 -0.000 0.000 0.283 13 N C 0.257 175.772 175.510 0.008 0.000 1.003 13 N CA -0.450 52.595 53.050 -0.008 0.000 0.892 13 N CB 1.787 40.268 38.487 -0.010 0.000 1.193 13 N HN 0.617 nan 8.380 nan 0.000 0.487 14 L N 3.996 125.232 121.223 0.023 0.000 2.095 14 L HA 0.480 4.820 4.340 -0.000 0.000 0.204 14 L C 0.010 176.919 176.870 0.064 0.000 1.080 14 L CA 1.242 56.112 54.840 0.049 0.000 0.759 14 L CB -0.044 42.061 42.059 0.077 0.000 0.914 14 L HN 0.673 nan 8.230 nan 0.000 0.439 15 I N -1.484 119.122 120.570 0.059 0.000 2.882 15 I HA 0.553 4.723 4.170 -0.000 0.000 0.298 15 I C -0.514 175.627 176.117 0.041 0.000 1.462 15 I CA 0.150 61.483 61.300 0.055 0.000 1.000 15 I CB 1.742 39.781 38.000 0.064 0.000 1.340 15 I HN 0.150 nan 8.210 nan 0.000 0.462 16 G N 3.844 112.656 108.800 0.020 0.000 2.871 16 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.262 16 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.262 16 G C -0.751 174.126 174.900 -0.038 0.000 1.126 16 G CA -0.143 44.950 45.100 -0.012 0.000 1.130 16 G HN 0.735 nan 8.290 nan 0.000 0.549 17 E N 0.546 120.743 120.200 -0.006 0.000 2.183 17 E HA 0.653 5.003 4.350 -0.000 0.000 0.271 17 E C 1.028 177.644 176.600 0.026 0.000 0.919 17 E CA -0.593 55.810 56.400 0.005 0.000 0.781 17 E CB 0.457 30.218 29.700 0.102 0.000 1.140 17 E HN 0.418 nan 8.360 nan 0.000 0.402 18 H N 2.173 121.181 119.070 -0.103 0.000 2.692 18 H HA -0.163 4.393 4.556 -0.000 0.000 0.316 18 H C 0.147 175.151 175.328 -0.541 0.000 1.176 18 H CA 1.218 57.107 56.048 -0.265 0.000 1.142 18 H CB -1.251 28.334 29.762 -0.296 0.000 1.475 18 H HN 0.442 nan 8.280 nan 0.000 0.423 19 T N -0.898 113.393 114.554 -0.438 0.000 2.958 19 T HA -0.026 4.324 4.350 -0.000 0.000 0.256 19 T C 1.554 175.971 174.700 -0.471 0.000 0.983 19 T CA 0.581 62.420 62.100 -0.435 0.000 0.924 19 T CB 0.385 69.093 68.868 -0.266 0.000 1.136 19 T HN 0.553 nan 8.240 nan 0.000 0.506 20 D N 0.627 120.764 120.400 -0.437 0.000 2.271 20 D HA -0.061 4.579 4.640 -0.000 0.000 0.206 20 D C 1.551 177.619 176.300 -0.386 0.000 0.967 20 D CA 0.582 54.393 54.000 -0.315 0.000 0.867 20 D CB -0.798 39.904 40.800 -0.162 0.000 0.960 20 D HN 0.660 nan 8.370 nan 0.000 0.509 21 Y N 0.866 121.005 120.300 -0.267 0.000 2.578 21 Y HA 0.234 4.784 4.550 -0.000 0.000 0.297 21 Y C 1.271 176.925 175.900 -0.409 0.000 1.176 21 Y CA 0.698 58.587 58.100 -0.351 0.000 1.315 21 Y CB -0.792 37.563 38.460 -0.176 0.000 1.031 21 Y HN 0.020 nan 8.280 nan 0.000 0.524 22 T N -4.822 109.478 114.554 -0.423 0.000 3.182 22 T HA 0.195 4.545 4.350 -0.000 0.000 0.277 22 T C -0.405 174.221 174.700 -0.123 0.000 1.013 22 T CA -0.458 61.532 62.100 -0.182 0.000 0.900 22 T CB -1.275 67.575 68.868 -0.030 0.000 1.098 22 T HN 0.432 nan 8.240 nan 0.000 0.543 23 Y N -0.039 120.196 120.300 -0.108 0.000 3.380 23 Y HA -0.172 4.378 4.550 0.000 0.000 0.211 23 Y C 1.129 176.878 175.900 -0.252 0.000 1.394 23 Y CA -0.012 58.003 58.100 -0.141 0.000 1.479 23 Y CB -1.762 36.649 38.460 -0.081 0.000 1.483 23 Y HN 0.647 nan 8.280 nan 0.000 0.566 24 G N -1.209 107.443 108.800 -0.245 0.000 2.828 24 G HA2 0.611 4.571 3.960 -0.000 0.000 0.244 24 G HA3 0.611 4.571 3.960 -0.000 0.000 0.244 24 G C -0.963 173.676 174.900 -0.436 0.000 1.365 24 G CA -0.954 43.895 45.100 -0.419 0.000 1.041 24 G HN 0.173 nan 8.290 nan 0.000 0.560 25 Y N -1.943 118.270 120.300 -0.145 0.000 2.376 25 Y HA 0.626 5.176 4.550 -0.000 0.000 0.325 25 Y C 0.531 176.319 175.900 -0.187 0.000 1.199 25 Y CA -0.499 57.486 58.100 -0.192 0.000 1.206 25 Y CB 1.978 40.406 38.460 -0.054 0.000 1.229 25 Y HN 0.302 nan 8.280 nan 0.000 0.480 31 I N -1.598 118.840 120.570 -0.220 0.000 2.846 31 I HA 0.738 4.908 4.170 -0.000 0.000 0.307 31 I C -0.427 175.436 176.117 -0.423 0.000 1.053 31 I CA -0.903 60.244 61.300 -0.255 0.000 1.050 31 I CB 2.289 40.145 38.000 -0.241 0.000 1.239 31 I HN 0.554 nan 8.210 nan 0.000 0.439 32 D N 4.653 124.853 120.400 -0.332 0.000 3.085 32 D HA 0.308 4.948 4.640 -0.000 0.000 0.243 32 D C -0.480 175.566 176.300 -0.424 0.000 1.232 32 D CA 0.046 53.814 54.000 -0.387 0.000 0.913 32 D CB -0.074 40.736 40.800 0.017 0.000 1.108 32 D HN 0.484 nan 8.370 nan 0.000 0.468 33 L N 0.624 121.425 121.223 -0.703 0.000 2.386 33 L HA 0.520 4.860 4.340 -0.000 0.000 0.271 33 L C -1.048 175.446 176.870 -0.627 0.000 0.993 33 L CA -1.114 53.434 54.840 -0.486 0.000 0.819 33 L CB 1.623 43.385 42.059 -0.495 0.000 1.294 33 L HN -0.013 nan 8.230 nan 0.000 0.414 34 Y N -0.394 119.813 120.300 -0.155 0.000 2.581 34 Y HA 0.466 5.016 4.550 -0.000 0.000 0.345 34 Y C 0.011 175.838 175.900 -0.122 0.000 1.036 34 Y CA -0.882 57.146 58.100 -0.120 0.000 1.042 34 Y CB 2.465 40.872 38.460 -0.088 0.000 1.289 34 Y HN 0.341 nan 8.280 nan 0.000 0.471 35 T N 3.822 118.420 114.554 0.073 0.000 2.767 35 T HA 0.562 4.912 4.350 -0.000 0.000 0.288 35 T C -0.353 174.387 174.700 0.066 0.000 0.963 35 T CA -0.386 61.733 62.100 0.031 0.000 1.019 35 T CB 0.068 68.959 68.868 0.038 0.000 0.923 35 T HN 0.310 nan 8.240 nan 0.000 0.468 36 I N 4.050 124.637 120.570 0.029 0.000 2.377 36 I HA 0.479 4.649 4.170 -0.000 0.000 0.293 36 I C -0.364 175.772 176.117 0.032 0.000 0.987 36 I CA -0.784 60.522 61.300 0.011 0.000 1.185 36 I CB 1.479 39.467 38.000 -0.020 0.000 1.341 36 I HN 0.454 nan 8.210 nan 0.000 0.455 37 I N 5.356 125.948 120.570 0.037 0.000 2.439 37 I HA 0.246 4.416 4.170 -0.000 0.000 0.283 37 I C -0.467 175.666 176.117 0.028 0.000 1.023 37 I CA -0.281 61.054 61.300 0.059 0.000 1.100 37 I CB 1.863 39.914 38.000 0.085 0.000 1.238 37 I HN 0.480 nan 8.210 nan 0.000 0.445 38 T N 5.620 120.189 114.554 0.026 0.000 2.749 38 T HA 0.767 5.117 4.350 -0.000 0.000 0.287 38 T C -0.133 174.573 174.700 0.010 0.000 0.970 38 T CA -0.486 61.617 62.100 0.005 0.000 0.980 38 T CB 1.389 70.256 68.868 -0.003 0.000 0.924 38 T HN 0.708 nan 8.240 nan 0.000 0.456 39 A N 3.487 126.304 122.820 -0.005 0.000 2.606 39 A HA 0.787 5.107 4.320 -0.000 0.000 0.293 39 A C -0.935 176.631 177.584 -0.029 0.000 1.082 39 A CA -1.129 50.904 52.037 -0.007 0.000 0.685 39 A CB 1.515 20.527 19.000 0.019 0.000 1.284 39 A HN 0.824 nan 8.150 nan 0.000 0.408 40 E N 0.768 120.947 120.200 -0.035 0.000 2.359 40 E HA 0.608 4.958 4.350 -0.000 0.000 0.266 40 E C -0.912 175.682 176.600 -0.011 0.000 0.920 40 E CA -1.069 55.306 56.400 -0.043 0.000 0.788 40 E CB 1.297 30.968 29.700 -0.048 0.000 1.279 40 E HN 0.454 nan 8.360 nan 0.000 0.438 41 K N 0.598 120.982 120.400 -0.027 0.000 2.485 41 K HA 0.078 4.398 4.320 -0.000 0.000 0.277 41 K C -1.254 175.458 176.600 0.186 0.000 0.990 41 K CA 0.519 56.833 56.287 0.046 0.000 0.994 41 K CB 0.165 32.647 32.500 -0.030 0.000 0.906 41 K HN 0.367 nan 8.250 nan 0.000 0.488 42 Y N 0.582 120.911 120.300 0.049 0.000 2.609 42 Y HA 0.097 4.647 4.550 -0.000 0.000 0.336 42 Y C -0.261 175.657 175.900 0.030 0.000 1.129 42 Y CA -1.415 56.700 58.100 0.025 0.000 1.040 42 Y CB 1.532 39.994 38.460 0.004 0.000 1.310 42 Y HN 0.658 nan 8.280 nan 0.000 0.460 43 D N 0.917 121.102 120.400 -0.359 0.000 2.263 43 D HA -0.044 4.596 4.640 -0.000 0.000 0.208 43 D C 0.163 176.273 176.300 -0.317 0.000 0.971 43 D CA 1.438 55.244 54.000 -0.323 0.000 0.867 43 D CB 0.229 40.805 40.800 -0.373 0.000 0.929 43 D HN 0.518 nan 8.370 nan 0.000 0.492 44 K N -1.154 118.982 120.400 -0.441 0.000 2.137 44 K HA 0.580 4.900 4.320 -0.000 0.000 0.251 44 K C -1.084 175.436 176.600 -0.134 0.000 1.048 44 K CA -0.915 55.218 56.287 -0.257 0.000 0.873 44 K CB 1.360 33.710 32.500 -0.250 0.000 1.442 44 K HN -0.256 nan 8.250 nan 0.000 0.467 45 V N 0.936 120.648 119.914 -0.336 0.000 2.427 45 V HA 0.328 4.448 4.120 -0.000 0.000 0.286 45 V C -0.779 175.212 176.094 -0.171 0.000 1.034 45 V CA -0.419 61.664 62.300 -0.362 0.000 0.893 45 V CB 1.008 32.205 31.823 -1.044 0.000 0.982 45 V HN 0.718 nan 8.190 nan 0.000 0.452 46 Q N 4.748 124.572 119.800 0.039 0.000 2.374 46 Q HA 0.573 4.913 4.340 -0.000 0.000 0.250 46 Q C -2.107 173.971 176.000 0.130 0.000 0.918 46 Q CA -0.439 55.423 55.803 0.099 0.000 0.778 46 Q CB 1.665 30.488 28.738 0.142 0.000 1.328 46 Q HN 0.729 nan 8.270 nan 0.000 0.445 47 L N 3.453 124.815 121.223 0.231 0.000 2.362 47 L HA 0.502 4.842 4.340 -0.000 0.000 0.275 47 L C -0.938 176.202 176.870 0.450 0.000 0.998 47 L CA -1.070 53.972 54.840 0.336 0.000 0.820 47 L CB 1.614 43.944 42.059 0.452 0.000 1.270 47 L HN 0.577 nan 8.230 nan 0.000 0.415 48 Y N 2.254 122.691 120.300 0.228 0.000 2.313 48 Y HA 0.392 4.942 4.550 -0.000 0.000 0.332 48 Y C 0.187 176.160 175.900 0.122 0.000 1.071 48 Y CA -0.092 58.131 58.100 0.205 0.000 1.169 48 Y CB 1.689 40.213 38.460 0.106 0.000 1.192 48 Y HN 0.520 nan 8.280 nan 0.000 0.487 49 S N 5.432 120.765 115.700 -0.611 0.000 2.461 49 S HA 0.146 4.616 4.470 -0.000 0.000 0.322 49 S C 0.926 174.986 174.600 -0.899 0.000 1.063 49 S CA -0.542 57.228 58.200 -0.717 0.000 1.120 49 S CB 0.534 63.149 63.200 -0.975 0.000 0.968 49 S HN 1.007 nan 8.310 nan 0.000 0.467 50 E N 3.191 123.049 120.200 -0.569 0.000 2.130 50 E HA -0.291 4.059 4.350 -0.000 0.000 0.196 50 E C 1.380 177.834 176.600 -0.243 0.000 0.998 50 E CA 1.816 58.077 56.400 -0.232 0.000 0.806 50 E CB -0.202 29.519 29.700 0.035 0.000 0.738 50 E HN 0.961 nan 8.360 nan 0.000 0.459 51 H N -1.130 117.702 119.070 -0.397 0.000 2.321 51 H HA -0.130 4.426 4.556 -0.000 0.000 0.300 51 H C 1.313 176.314 175.328 -0.545 0.000 1.087 51 H CA 2.243 57.994 56.048 -0.495 0.000 1.319 51 H CB -0.167 29.183 29.762 -0.687 0.000 1.379 51 H HN 0.191 nan 8.280 nan 0.000 0.501 52 F N -0.163 119.645 119.950 -0.238 0.000 2.797 52 F HA 0.151 4.678 4.527 -0.000 0.000 0.302 52 F C 1.695 177.421 175.800 -0.124 0.000 1.130 52 F CA 0.613 58.529 58.000 -0.140 0.000 1.387 52 F CB -0.746 38.241 39.000 -0.021 0.000 1.107 52 F HN 0.470 nan 8.300 nan 0.000 0.577 53 N N 1.524 120.168 118.700 -0.094 0.000 2.699 53 N HA -0.241 4.498 4.740 -0.000 0.000 0.256 53 N C -0.037 175.529 175.510 0.093 0.000 0.993 53 N CA 1.214 54.252 53.050 -0.019 0.000 0.759 53 N CB -2.300 36.242 38.487 0.091 0.000 0.906 53 N HN 0.698 nan 8.380 nan 0.000 0.541 54 E N -1.853 118.348 120.200 0.002 0.000 2.366 54 E HA 0.552 4.902 4.350 -0.000 0.000 0.278 54 E C -1.087 175.696 176.600 0.305 0.000 0.923 54 E CA -0.861 55.673 56.400 0.222 0.000 0.761 54 E CB 1.338 31.211 29.700 0.288 0.000 1.231 54 E HN 0.450 nan 8.360 nan 0.000 0.443 55 E N 2.576 122.982 120.200 0.344 0.000 2.175 55 E HA 0.311 4.661 4.350 -0.000 0.000 0.278 55 E C -1.086 175.652 176.600 0.231 0.000 0.969 55 E CA -0.663 55.952 56.400 0.357 0.000 0.796 55 E CB 1.119 31.006 29.700 0.311 0.000 1.104 55 E HN 0.382 nan 8.360 nan 0.000 0.395 56 K N 2.266 122.775 120.400 0.181 0.000 2.328 56 K HA 0.452 4.772 4.320 -0.000 0.000 0.246 56 K C -0.667 175.975 176.600 0.071 0.000 0.955 56 K CA -0.894 55.387 56.287 -0.011 0.000 0.817 56 K CB 2.127 34.395 32.500 -0.385 0.000 1.208 56 K HN 0.676 nan 8.250 nan 0.000 0.432 57 T N -1.307 113.296 114.554 0.081 0.000 2.883 57 T HA 0.804 5.154 4.350 -0.000 0.000 0.301 57 T C -1.026 173.776 174.700 0.171 0.000 1.158 57 T CA -0.894 61.242 62.100 0.060 0.000 1.007 57 T CB 0.890 69.791 68.868 0.057 0.000 1.186 57 T HN 0.570 nan 8.240 nan 0.000 0.499 58 F N -1.493 118.469 119.950 0.019 0.000 2.672 58 F HA 0.652 5.179 4.527 -0.000 0.000 0.311 58 F C -0.125 175.679 175.800 0.007 0.000 1.113 58 F CA -0.966 57.035 58.000 0.002 0.000 0.996 58 F CB 0.590 39.583 39.000 -0.012 0.000 1.286 58 F HN 0.896 nan 8.300 nan 0.000 0.441 59 T N -0.223 114.408 114.554 0.127 0.000 2.788 59 T HA 0.314 4.664 4.350 -0.000 0.000 0.287 59 T C 0.492 175.296 174.700 0.174 0.000 1.007 59 T CA -0.498 61.631 62.100 0.048 0.000 1.005 59 T CB 1.184 70.070 68.868 0.030 0.000 1.012 59 T HN 0.716 nan 8.240 nan 0.000 0.530 60 L N 1.387 122.662 121.223 0.087 0.000 2.552 60 L HA 0.136 4.476 4.340 -0.000 0.000 0.227 60 L C 2.133 179.078 176.870 0.125 0.000 1.146 60 L CA 1.158 56.077 54.840 0.131 0.000 0.858 60 L CB -0.585 41.499 42.059 0.041 0.000 0.969 60 L HN 0.905 nan 8.230 nan 0.000 0.451 61 D N -2.121 118.337 120.400 0.098 0.000 2.360 61 D HA -0.104 4.536 4.640 -0.000 0.000 0.210 61 D C 0.724 177.081 176.300 0.094 0.000 1.047 61 D CA -0.015 54.036 54.000 0.085 0.000 0.854 61 D CB -0.477 40.355 40.800 0.053 0.000 0.936 61 D HN 0.335 nan 8.370 nan 0.000 0.514 62 N N 0.802 119.575 118.700 0.122 0.000 3.124 62 N HA 0.130 4.870 4.740 -0.000 0.000 0.284 62 N C -0.340 175.190 175.510 0.034 0.000 1.209 62 N CA -0.241 52.861 53.050 0.087 0.000 1.149 62 N CB -0.078 38.467 38.487 0.097 0.000 1.434 62 N HN 0.073 nan 8.380 nan 0.000 0.529 63 L N 1.985 123.237 121.223 0.049 0.000 2.783 63 L HA 0.241 4.581 4.340 -0.000 0.000 0.235 63 L C -0.085 176.863 176.870 0.130 0.000 1.260 63 L CA -0.145 54.727 54.840 0.053 0.000 1.184 63 L CB 0.263 42.418 42.059 0.159 0.000 1.472 63 L HN 0.285 nan 8.230 nan 0.000 0.426 64 T N 0.430 114.991 114.554 0.011 0.000 2.807 64 T HA 0.222 4.572 4.350 -0.000 0.000 0.279 64 T C 0.073 174.706 174.700 -0.112 0.000 0.993 64 T CA -0.539 61.511 62.100 -0.084 0.000 0.970 64 T CB 1.953 70.770 68.868 -0.086 0.000 0.950 64 T HN 0.230 nan 8.240 nan 0.000 0.441 65 K N 2.322 122.553 120.400 -0.282 0.000 2.484 65 K HA 0.005 4.325 4.320 -0.000 0.000 0.280 65 K C 0.869 177.359 176.600 -0.183 0.000 1.013 65 K CA 0.574 56.696 56.287 -0.275 0.000 1.029 65 K CB 0.372 32.613 32.500 -0.432 0.000 0.902 65 K HN 0.657 nan 8.250 nan 0.000 0.481 66 E N 1.493 121.601 120.200 -0.155 0.000 2.473 66 E HA 0.071 4.421 4.350 -0.000 0.000 0.204 66 E C 0.483 177.005 176.600 -0.131 0.000 0.994 66 E CA 0.365 56.680 56.400 -0.141 0.000 0.945 66 E CB 0.603 30.209 29.700 -0.157 0.000 0.990 66 E HN 0.999 nan 8.360 nan 0.000 0.493 67 G N 2.111 110.830 108.800 -0.134 0.000 2.171 67 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.238 67 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.238 67 G C 0.084 174.925 174.900 -0.099 0.000 1.039 67 G CA 0.556 45.591 45.100 -0.108 0.000 0.759 67 G HN 0.381 nan 8.290 nan 0.000 0.501 68 S N -1.491 114.133 115.700 -0.127 0.000 2.705 68 S HA 0.682 5.152 4.470 -0.000 0.000 0.280 68 S C 1.179 175.731 174.600 -0.079 0.000 1.174 68 S CA -0.014 58.097 58.200 -0.148 0.000 0.823 68 S CB 0.203 63.232 63.200 -0.285 0.000 1.162 68 S HN 1.253 nan 8.310 nan 0.000 0.487 69 W N 0.218 121.471 121.300 -0.079 0.000 2.364 69 W HA -0.020 4.640 4.660 -0.000 0.000 0.281 69 W C 1.146 177.840 176.519 0.292 0.000 1.219 69 W CA 0.673 58.092 57.345 0.124 0.000 1.220 69 W CB -0.826 28.556 29.460 -0.130 0.000 1.127 69 W HN 0.555 nan 8.180 nan 0.000 0.556 70 I N 2.727 123.119 120.570 -0.296 0.000 2.700 70 I HA -0.240 3.930 4.170 -0.000 0.000 0.261 70 I C 1.631 177.727 176.117 -0.034 0.000 1.219 70 I CA 1.451 62.633 61.300 -0.197 0.000 1.463 70 I CB -0.621 37.100 38.000 -0.466 0.000 1.092 70 I HN -0.187 nan 8.210 nan 0.000 0.452 71 D N -0.488 119.884 120.400 -0.046 0.000 2.178 71 D HA -0.219 4.421 4.640 -0.000 0.000 0.201 71 D C 1.998 178.221 176.300 -0.128 0.000 0.980 71 D CA 1.452 55.404 54.000 -0.079 0.000 0.842 71 D CB -0.317 40.414 40.800 -0.116 0.000 0.948 71 D HN 0.422 nan 8.370 nan 0.000 0.472 72 Y N 0.618 120.988 120.300 0.117 0.000 2.224 72 Y HA -0.150 4.400 4.550 -0.000 0.000 0.289 72 Y C 2.525 178.360 175.900 -0.108 0.000 1.146 72 Y CA 0.460 58.594 58.100 0.056 0.000 1.182 72 Y CB -0.444 38.142 38.460 0.211 0.000 0.983 72 Y HN -0.148 nan 8.280 nan 0.000 0.524 73 V N 0.086 120.052 119.914 0.086 0.000 2.283 73 V HA -0.259 3.861 4.120 -0.000 0.000 0.243 73 V C 2.098 178.160 176.094 -0.053 0.000 1.039 73 V CA 1.778 64.096 62.300 0.031 0.000 1.016 73 V CB -0.589 31.387 31.823 0.257 0.000 0.650 73 V HN 0.302 nan 8.190 nan 0.000 0.449 74 K N 0.578 120.820 120.400 -0.263 0.000 2.063 74 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 74 K C 2.239 178.336 176.600 -0.839 0.000 1.048 74 K CA 1.606 57.526 56.287 -0.610 0.000 0.928 74 K CB -0.699 31.315 32.500 -0.810 0.000 0.713 74 K HN 0.565 nan 8.250 nan 0.000 0.442 75 G N 0.736 108.930 108.800 -1.010 0.000 2.422 75 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 75 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 75 G C 1.543 176.333 174.900 -0.184 0.000 1.146 75 G CA 0.619 45.180 45.100 -0.899 0.000 0.769 75 G HN 0.105 nan 8.290 nan 0.000 0.547 76 V N 0.450 120.293 119.914 -0.117 0.000 2.427 76 V HA -0.072 4.048 4.120 -0.000 0.000 0.248 76 V C 2.843 178.932 176.094 -0.009 0.000 1.051 76 V CA 1.172 63.459 62.300 -0.022 0.000 1.048 76 V CB -0.300 31.498 31.823 -0.042 0.000 0.666 76 V HN 0.247 nan 8.190 nan 0.000 0.456 77 L N -1.138 120.076 121.223 -0.015 0.000 2.046 77 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 77 L C 2.169 179.054 176.870 0.025 0.000 1.077 77 L CA 2.285 57.136 54.840 0.018 0.000 0.747 77 L CB -0.798 41.312 42.059 0.085 0.000 0.896 77 L HN 0.594 nan 8.230 nan 0.000 0.432 78 W N -0.851 120.337 121.300 -0.186 0.000 2.358 78 W HA -0.203 4.457 4.660 -0.000 0.000 0.303 78 W C 2.434 178.929 176.519 -0.039 0.000 1.208 78 W CA 1.660 58.932 57.345 -0.122 0.000 1.274 78 W CB -0.446 28.891 29.460 -0.205 0.000 1.138 78 W HN -0.079 nan 8.180 nan 0.000 0.515 79 V N 1.423 121.267 119.914 -0.118 0.000 2.427 79 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 79 V C 2.298 178.249 176.094 -0.239 0.000 1.051 79 V CA 2.201 64.279 62.300 -0.370 0.000 1.048 79 V CB -0.591 31.240 31.823 0.013 0.000 0.666 79 V HN 0.289 nan 8.190 nan 0.000 0.456 80 L N -0.818 120.362 121.223 -0.072 0.000 2.093 80 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 80 L C 2.321 179.205 176.870 0.023 0.000 1.085 80 L CA 1.665 56.553 54.840 0.079 0.000 0.755 80 L CB -0.511 41.584 42.059 0.061 0.000 0.904 80 L HN 0.281 nan 8.230 nan 0.000 0.435 81 I N -0.629 119.880 120.570 -0.101 0.000 2.226 81 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 81 I C 2.663 178.654 176.117 -0.210 0.000 1.100 81 I CA 0.996 62.222 61.300 -0.124 0.000 1.374 81 I CB -0.277 37.661 38.000 -0.103 0.000 1.057 81 I HN 0.316 nan 8.210 nan 0.000 0.413 82 Q N 0.520 120.098 119.800 -0.370 0.000 2.226 82 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 82 Q C 1.816 177.652 176.000 -0.274 0.000 0.975 82 Q CA 1.091 56.663 55.803 -0.385 0.000 0.866 82 Q CB -0.264 28.090 28.738 -0.639 0.000 0.915 82 Q HN 0.554 nan 8.270 nan 0.000 0.440 83 E N -0.663 119.389 120.200 -0.247 0.000 2.427 83 E HA 0.017 4.367 4.350 -0.000 0.000 0.196 83 E C 0.899 177.261 176.600 -0.397 0.000 1.028 83 E CA 0.737 56.965 56.400 -0.287 0.000 0.864 83 E CB 0.377 29.896 29.700 -0.301 0.000 0.813 83 E HN 0.517 nan 8.360 nan 0.000 0.514 84 G N 0.828 109.433 108.800 -0.325 0.000 2.148 84 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.203 84 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.203 84 G C -0.115 174.616 174.900 -0.282 0.000 0.993 84 G CA -0.274 44.656 45.100 -0.283 0.000 0.661 84 G HN 0.231 nan 8.290 nan 0.000 0.518 85 Y N 1.073 121.326 120.300 -0.079 0.000 2.411 85 Y HA 0.446 4.996 4.550 0.000 0.000 0.333 85 Y C 0.975 176.826 175.900 -0.081 0.000 1.186 85 Y CA -0.224 57.836 58.100 -0.066 0.000 1.381 85 Y CB 0.715 39.137 38.460 -0.063 0.000 1.273 85 Y HN -0.153 nan 8.280 nan 0.000 0.546 86 K N 5.691 126.155 120.400 0.106 0.000 2.264 86 K HA 0.363 4.683 4.320 -0.000 0.000 0.277 86 K C -0.362 176.192 176.600 -0.077 0.000 1.067 86 K CA -0.134 56.157 56.287 0.006 0.000 0.900 86 K CB 0.413 32.924 32.500 0.017 0.000 1.124 86 K HN 0.693 nan 8.250 nan 0.000 0.469 87 I N -2.073 118.348 120.570 -0.250 0.000 3.617 87 I HA 0.877 5.047 4.170 -0.000 0.000 0.283 87 I C 0.259 175.877 176.117 -0.831 0.000 1.160 87 I CA -1.087 59.778 61.300 -0.725 0.000 1.084 87 I CB 2.144 39.834 38.000 -0.517 0.000 1.365 87 I HN 0.434 nan 8.210 nan 0.000 0.494 88 G N -0.838 107.240 108.800 -1.204 0.000 2.634 88 G HA2 0.575 4.535 3.960 -0.000 0.000 0.309 88 G HA3 0.575 4.535 3.960 -0.000 0.000 0.309 88 G C -0.917 173.886 174.900 -0.162 0.000 1.299 88 G CA -0.351 44.481 45.100 -0.447 0.000 0.798 88 G HN 0.983 nan 8.290 nan 0.000 0.490 89 G N -1.239 107.589 108.800 0.046 0.000 2.563 89 G HA2 0.695 4.655 3.960 -0.000 0.000 0.283 89 G HA3 0.695 4.655 3.960 -0.000 0.000 0.283 89 G C -0.569 174.470 174.900 0.232 0.000 1.309 89 G CA 0.282 45.430 45.100 0.081 0.000 1.022 89 G HN 1.448 nan 8.290 nan 0.000 0.501 90 L N -3.932 117.397 121.223 0.176 0.000 2.540 90 L HA 0.880 5.220 4.340 -0.000 0.000 0.256 90 L C -0.863 176.086 176.870 0.131 0.000 1.001 90 L CA -2.074 52.867 54.840 0.169 0.000 0.843 90 L CB 1.051 43.190 42.059 0.134 0.000 1.436 90 L HN 0.573 nan 8.230 nan 0.000 0.410 91 K N -0.264 120.150 120.400 0.023 0.000 2.578 91 K HA 0.948 5.268 4.320 -0.000 0.000 0.250 91 K C -0.525 176.033 176.600 -0.071 0.000 0.955 91 K CA 0.385 56.587 56.287 -0.141 0.000 0.825 91 K CB 1.021 33.188 32.500 -0.554 0.000 1.151 91 K HN 1.902 nan 8.250 nan 0.000 0.432 92 G N 0.944 109.743 108.800 -0.001 0.000 2.427 92 G HA2 0.431 4.391 3.960 -0.000 0.000 0.306 92 G HA3 0.431 4.391 3.960 -0.000 0.000 0.306 92 G C -1.661 173.308 174.900 0.114 0.000 1.280 92 G CA -0.666 44.455 45.100 0.035 0.000 0.837 92 G HN 0.617 nan 8.290 nan 0.000 0.482 93 K N -0.483 119.988 120.400 0.118 0.000 2.378 93 K HA 0.717 5.037 4.320 -0.000 0.000 0.252 93 K C -0.833 175.850 176.600 0.139 0.000 0.931 93 K CA -0.594 55.807 56.287 0.191 0.000 0.794 93 K CB 1.842 34.440 32.500 0.163 0.000 1.181 93 K HN 0.559 nan 8.250 nan 0.000 0.425 94 I N 2.465 123.101 120.570 0.110 0.000 2.330 94 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 94 I C 0.848 176.942 176.117 -0.039 0.000 1.001 94 I CA -0.131 61.182 61.300 0.023 0.000 1.193 94 I CB 1.670 39.641 38.000 -0.048 0.000 1.345 94 I HN 0.941 nan 8.210 nan 0.000 0.461 95 T N 1.882 116.424 114.554 -0.020 0.000 2.573 95 T HA 0.994 5.344 4.350 -0.000 0.000 0.259 95 T C 0.161 174.832 174.700 -0.049 0.000 0.886 95 T CA -0.346 61.733 62.100 -0.034 0.000 1.110 95 T CB 1.620 70.489 68.868 0.002 0.000 1.421 95 T HN 1.036 nan 8.240 nan 0.000 0.523 96 G N -0.205 108.573 108.800 -0.037 0.000 2.362 96 G HA2 0.160 4.120 3.960 -0.000 0.000 0.517 96 G HA3 0.160 4.120 3.960 -0.000 0.000 0.517 96 G C -0.507 174.366 174.900 -0.045 0.000 1.256 96 G CA 0.337 45.420 45.100 -0.028 0.000 1.027 96 G HN 0.795 nan 8.290 nan 0.000 0.491 97 D N -1.368 119.002 120.400 -0.049 0.000 2.489 97 D HA 0.217 4.857 4.640 -0.000 0.000 0.231 97 D C 0.735 176.939 176.300 -0.159 0.000 1.114 97 D CA 0.074 54.035 54.000 -0.064 0.000 0.842 97 D CB 0.503 41.290 40.800 -0.021 0.000 1.133 97 D HN 0.382 nan 8.370 nan 0.000 0.506 98 L N 2.131 123.233 121.223 -0.200 0.000 2.290 98 L HA 0.437 4.777 4.340 -0.000 0.000 0.284 98 L C -2.372 174.313 176.870 -0.308 0.000 1.078 98 L CA -1.446 53.211 54.840 -0.305 0.000 0.815 98 L CB 0.998 42.891 42.059 -0.277 0.000 1.162 98 L HN -0.250 nan 8.230 nan 0.000 0.435 99 P HA 0.109 nan 4.420 nan 0.000 0.266 99 P C -1.230 175.838 177.300 -0.386 0.000 1.195 99 P CA -0.027 62.882 63.100 -0.320 0.000 0.768 99 P CB 0.468 31.955 31.700 -0.355 0.000 0.838 100 L N 2.166 123.144 121.223 -0.408 0.000 2.309 100 L HA 0.539 4.879 4.340 -0.000 0.000 0.282 100 L C 1.272 177.939 176.870 -0.338 0.000 1.036 100 L CA 0.521 55.100 54.840 -0.436 0.000 0.806 100 L CB 0.564 42.225 42.059 -0.664 0.000 1.220 100 L HN 0.713 nan 8.230 nan 0.000 0.429 101 G N 2.701 111.337 108.800 -0.274 0.000 2.182 101 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.248 101 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.248 101 G C 0.425 175.188 174.900 -0.229 0.000 1.042 101 G CA 0.374 45.365 45.100 -0.180 0.000 0.775 101 G HN 1.012 nan 8.290 nan 0.000 0.501 102 A N -1.017 121.569 122.820 -0.390 0.000 2.545 102 A HA 0.714 5.034 4.320 -0.000 0.000 0.263 102 A C 2.098 179.495 177.584 -0.311 0.000 1.202 102 A CA 1.473 53.122 52.037 -0.647 0.000 0.959 102 A CB 0.109 18.173 19.000 -1.560 0.000 1.124 102 A HN 2.343 nan 8.150 nan 0.000 0.543 103 G N -0.571 108.113 108.800 -0.193 0.000 2.176 103 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.232 103 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.232 103 G C 0.560 175.378 174.900 -0.136 0.000 0.986 103 G CA 0.297 45.330 45.100 -0.113 0.000 0.643 103 G HN 0.586 nan 8.290 nan 0.000 0.522 104 L N 0.660 121.764 121.223 -0.199 0.000 2.741 104 L HA 0.532 4.872 4.340 -0.000 0.000 0.237 104 L C 1.496 178.255 176.870 -0.185 0.000 1.178 104 L CA 0.446 55.165 54.840 -0.200 0.000 0.973 104 L CB 0.333 42.229 42.059 -0.272 0.000 1.255 104 L HN 0.457 nan 8.230 nan 0.000 0.498 105 S N 0.701 116.305 115.700 -0.160 0.000 3.711 105 S HA -0.200 4.270 4.470 -0.000 0.000 0.374 105 S C 1.539 176.051 174.600 -0.146 0.000 0.969 105 S CA 0.440 58.561 58.200 -0.132 0.000 1.198 105 S CB -0.805 62.341 63.200 -0.090 0.000 0.903 105 S HN 0.751 nan 8.310 nan 0.000 0.493 106 S N 0.715 116.298 115.700 -0.193 0.000 2.402 106 S HA -0.205 4.265 4.470 -0.000 0.000 0.233 106 S C 2.071 176.573 174.600 -0.163 0.000 1.030 106 S CA 1.620 59.696 58.200 -0.207 0.000 1.003 106 S CB -1.025 61.999 63.200 -0.293 0.000 0.813 106 S HN 1.243 nan 8.310 nan 0.000 0.477 107 S N 3.803 119.392 115.700 -0.184 0.000 2.377 107 S HA -0.187 4.283 4.470 -0.000 0.000 0.224 107 S C 2.218 176.793 174.600 -0.042 0.000 1.042 107 S CA 1.311 59.402 58.200 -0.182 0.000 1.086 107 S CB -1.378 61.777 63.200 -0.075 0.000 0.995 107 S HN 0.889 nan 8.310 nan 0.000 0.428 108 A N 1.230 124.039 122.820 -0.019 0.000 1.929 108 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 108 A C 2.387 179.975 177.584 0.006 0.000 1.176 108 A CA 1.804 53.849 52.037 0.013 0.000 0.628 108 A CB -1.233 17.775 19.000 0.013 0.000 0.816 108 A HN 0.542 nan 8.150 nan 0.000 0.444 109 S N -1.302 114.389 115.700 -0.015 0.000 2.370 109 S HA -0.208 4.262 4.470 -0.000 0.000 0.226 109 S C 1.805 176.450 174.600 0.074 0.000 1.033 109 S CA 1.760 59.958 58.200 -0.003 0.000 1.011 109 S CB -0.520 62.650 63.200 -0.050 0.000 0.852 109 S HN 0.597 nan 8.310 nan 0.000 0.457 110 F N 1.316 121.201 119.950 -0.108 0.000 2.128 110 F HA -0.027 4.500 4.527 0.000 0.000 0.295 110 F C 2.318 178.111 175.800 -0.011 0.000 1.100 110 F CA 1.562 59.512 58.000 -0.084 0.000 1.260 110 F CB -0.156 38.745 39.000 -0.165 0.000 1.009 110 F HN 0.286 nan 8.300 nan 0.000 0.476 111 E N -0.051 120.103 120.200 -0.077 0.000 2.038 111 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 111 E C 2.226 178.781 176.600 -0.074 0.000 1.000 111 E CA 1.835 58.176 56.400 -0.097 0.000 0.803 111 E CB -0.456 29.263 29.700 0.033 0.000 0.750 111 E HN 0.438 nan 8.360 nan 0.000 0.448 112 V N -0.037 119.858 119.914 -0.032 0.000 2.667 112 V HA -0.010 4.110 4.120 -0.000 0.000 0.252 112 V C 1.906 177.973 176.094 -0.045 0.000 1.065 112 V CA 1.984 64.261 62.300 -0.038 0.000 1.083 112 V CB -0.609 31.191 31.823 -0.038 0.000 0.692 112 V HN 0.291 nan 8.190 nan 0.000 0.468 113 G N 0.752 109.535 108.800 -0.028 0.000 2.459 113 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 113 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 113 G C 1.505 176.382 174.900 -0.038 0.000 1.183 113 G CA 1.351 46.446 45.100 -0.009 0.000 0.776 113 G HN 0.461 nan 8.290 nan 0.000 0.552 114 I N 0.724 121.235 120.570 -0.099 0.000 2.286 114 I HA -0.057 4.113 4.170 -0.000 0.000 0.248 114 I C 2.690 178.774 176.117 -0.055 0.000 1.115 114 I CA 0.744 61.986 61.300 -0.097 0.000 1.392 114 I CB -1.004 36.873 38.000 -0.205 0.000 1.065 114 I HN 0.189 nan 8.210 nan 0.000 0.418 115 L N 0.658 121.842 121.223 -0.065 0.000 2.083 115 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 115 L C 2.495 179.327 176.870 -0.064 0.000 1.083 115 L CA 1.604 56.408 54.840 -0.059 0.000 0.752 115 L CB -0.142 41.882 42.059 -0.058 0.000 0.899 115 L HN 0.126 nan 8.230 nan 0.000 0.433 116 E N -0.761 119.403 120.200 -0.060 0.000 2.158 116 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 116 E C 1.937 178.509 176.600 -0.048 0.000 0.982 116 E CA 1.212 57.574 56.400 -0.065 0.000 0.823 116 E CB -0.115 29.546 29.700 -0.065 0.000 0.766 116 E HN 0.352 nan 8.360 nan 0.000 0.468 117 V N 0.621 120.517 119.914 -0.029 0.000 2.307 117 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 117 V C 2.389 178.485 176.094 0.005 0.000 1.045 117 V CA 1.680 63.971 62.300 -0.014 0.000 1.024 117 V CB -0.450 31.377 31.823 0.006 0.000 0.651 117 V HN 0.302 nan 8.190 nan 0.000 0.449 118 L N 0.170 121.413 121.223 0.034 0.000 2.056 118 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 118 L C 2.447 179.361 176.870 0.073 0.000 1.078 118 L CA 1.772 56.687 54.840 0.124 0.000 0.749 118 L CB -0.765 41.347 42.059 0.087 0.000 0.901 118 L HN 0.395 nan 8.230 nan 0.000 0.433 119 N N -0.234 118.445 118.700 -0.035 0.000 2.137 119 N HA -0.228 4.512 4.740 -0.000 0.000 0.190 119 N C 1.874 177.347 175.510 -0.062 0.000 1.017 119 N CA 1.571 54.568 53.050 -0.088 0.000 0.859 119 N CB 0.080 38.499 38.487 -0.112 0.000 1.002 119 N HN 0.379 nan 8.380 nan 0.000 0.428 120 Q N -0.490 119.275 119.800 -0.058 0.000 2.107 120 Q HA 0.048 4.388 4.340 -0.000 0.000 0.195 120 Q C 2.290 178.227 176.000 -0.104 0.000 0.964 120 Q CA 0.655 56.415 55.803 -0.071 0.000 0.833 120 Q CB -0.130 28.567 28.738 -0.069 0.000 0.910 120 Q HN 0.391 nan 8.270 nan 0.000 0.465 121 L N -0.296 120.837 121.223 -0.149 0.000 2.012 121 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 121 L C 1.712 178.298 176.870 -0.472 0.000 1.073 121 L CA 1.453 56.097 54.840 -0.327 0.000 0.748 121 L CB -0.391 41.401 42.059 -0.444 0.000 0.891 121 L HN 0.232 nan 8.230 nan 0.000 0.431 122 Y N -1.031 119.247 120.300 -0.037 0.000 2.461 122 Y HA 0.096 4.646 4.550 -0.000 0.000 0.277 122 Y C 0.849 176.727 175.900 -0.036 0.000 1.182 122 Y CA -0.209 57.873 58.100 -0.031 0.000 1.276 122 Y CB -0.402 38.040 38.460 -0.030 0.000 1.087 122 Y HN 0.248 nan 8.280 nan 0.000 0.519 123 N N 1.329 120.034 118.700 0.009 0.000 2.667 123 N HA -0.224 4.516 4.740 -0.000 0.000 0.263 123 N C 0.122 175.634 175.510 0.003 0.000 1.038 123 N CA -0.113 52.934 53.050 -0.004 0.000 0.749 123 N CB -0.746 37.740 38.487 -0.001 0.000 0.892 123 N HN 0.464 nan 8.380 nan 0.000 0.546 124 L N 0.004 121.197 121.223 -0.050 0.000 2.509 124 L HA 0.046 4.386 4.340 -0.000 0.000 0.222 124 L C 1.634 178.461 176.870 -0.071 0.000 1.123 124 L CA 0.848 55.618 54.840 -0.116 0.000 0.856 124 L CB -0.859 40.939 42.059 -0.434 0.000 0.985 124 L HN 0.595 nan 8.230 nan 0.000 0.456 125 N N 1.347 120.016 118.700 -0.051 0.000 2.699 125 N HA -0.229 4.511 4.740 -0.000 0.000 0.256 125 N C 0.123 175.621 175.510 -0.019 0.000 0.993 125 N CA 0.877 53.913 53.050 -0.024 0.000 0.759 125 N CB -2.592 35.901 38.487 0.010 0.000 0.906 125 N HN 0.381 nan 8.380 nan 0.000 0.541 126 I N 0.004 120.524 120.570 -0.083 0.000 2.556 126 I HA 0.131 4.301 4.170 -0.000 0.000 0.284 126 I C 0.836 176.939 176.117 -0.024 0.000 1.114 126 I CA -0.335 60.932 61.300 -0.056 0.000 1.418 126 I CB 1.004 38.914 38.000 -0.150 0.000 1.394 126 I HN 0.565 nan 8.210 nan 0.000 0.552 127 D N 8.650 129.064 120.400 0.024 0.000 2.425 127 D HA 0.063 4.703 4.640 -0.000 0.000 0.247 127 D C -1.667 174.635 176.300 0.004 0.000 1.147 127 D CA -1.298 52.719 54.000 0.029 0.000 0.879 127 D CB 1.149 41.991 40.800 0.070 0.000 1.179 127 D HN 0.192 nan 8.370 nan 0.000 0.456 128 P HA -0.180 nan 4.420 nan 0.000 0.217 128 P C 1.426 178.697 177.300 -0.049 0.000 1.151 128 P CA 1.079 64.058 63.100 -0.201 0.000 0.849 128 P CB -0.135 31.332 31.700 -0.390 0.000 0.787 129 L N -2.121 119.246 121.223 0.239 0.000 2.313 129 L HA 0.094 4.434 4.340 -0.000 0.000 0.214 129 L C 2.087 179.064 176.870 0.179 0.000 1.119 129 L CA 1.488 56.527 54.840 0.332 0.000 0.809 129 L CB -0.508 41.751 42.059 0.334 0.000 0.933 129 L HN -0.210 nan 8.230 nan 0.000 0.449 130 K N 0.942 121.415 120.400 0.122 0.000 2.148 130 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 130 K C 2.032 178.669 176.600 0.062 0.000 1.050 130 K CA 1.291 57.636 56.287 0.097 0.000 0.942 130 K CB 0.034 32.594 32.500 0.101 0.000 0.724 130 K HN 0.341 nan 8.250 nan 0.000 0.446 131 K N -0.496 119.909 120.400 0.010 0.000 2.063 131 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 131 K C 2.061 178.662 176.600 0.002 0.000 1.048 131 K CA 1.403 57.670 56.287 -0.032 0.000 0.928 131 K CB -0.171 32.261 32.500 -0.112 0.000 0.713 131 K HN 0.180 nan 8.250 nan 0.000 0.442 132 A N 1.185 124.024 122.820 0.033 0.000 1.897 132 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 132 A C 2.117 179.772 177.584 0.119 0.000 1.181 132 A CA 0.965 53.051 52.037 0.082 0.000 0.620 132 A CB -0.458 18.623 19.000 0.137 0.000 0.821 132 A HN 0.120 nan 8.150 nan 0.000 0.443 133 L N -0.613 120.688 121.223 0.129 0.000 2.027 133 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 133 L C 2.579 179.520 176.870 0.117 0.000 1.074 133 L CA 1.080 56.001 54.840 0.135 0.000 0.745 133 L CB -0.546 41.590 42.059 0.130 0.000 0.898 133 L HN 0.362 nan 8.230 nan 0.000 0.433 134 L N -0.454 120.827 121.223 0.097 0.000 2.042 134 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 134 L C 2.881 179.810 176.870 0.099 0.000 1.076 134 L CA 1.274 56.167 54.840 0.089 0.000 0.749 134 L CB -0.781 41.321 42.059 0.071 0.000 0.893 134 L HN 0.262 nan 8.230 nan 0.000 0.432 135 A N 0.122 122.991 122.820 0.082 0.000 1.865 135 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 135 A C 2.405 180.062 177.584 0.123 0.000 1.191 135 A CA 2.143 54.232 52.037 0.087 0.000 0.623 135 A CB -0.576 18.460 19.000 0.060 0.000 0.826 135 A HN 0.352 nan 8.150 nan 0.000 0.444 136 K N -0.190 120.287 120.400 0.127 0.000 2.113 136 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 136 K C 2.155 178.850 176.600 0.159 0.000 1.047 136 K CA 1.987 58.358 56.287 0.140 0.000 0.928 136 K CB -0.186 32.401 32.500 0.144 0.000 0.716 136 K HN 0.480 nan 8.250 nan 0.000 0.446 137 K N -0.109 120.393 120.400 0.171 0.000 2.057 137 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 137 K C 2.009 178.787 176.600 0.297 0.000 1.050 137 K CA 1.038 57.455 56.287 0.217 0.000 0.935 137 K CB -0.149 32.472 32.500 0.201 0.000 0.715 137 K HN 0.228 nan 8.250 nan 0.000 0.439 138 A N 1.348 124.338 122.820 0.283 0.000 1.883 138 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 138 A C 2.003 179.719 177.584 0.219 0.000 1.186 138 A CA 2.090 54.310 52.037 0.305 0.000 0.624 138 A CB -0.645 18.473 19.000 0.196 0.000 0.822 138 A HN 0.580 nan 8.150 nan 0.000 0.444 139 E N -0.201 120.108 120.200 0.183 0.000 2.106 139 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 139 E C 1.790 178.457 176.600 0.112 0.000 0.984 139 E CA 1.376 57.869 56.400 0.155 0.000 0.806 139 E CB -0.209 29.597 29.700 0.177 0.000 0.750 139 E HN 0.802 nan 8.360 nan 0.000 0.458 140 N N -0.355 118.421 118.700 0.126 0.000 2.135 140 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 140 N C 1.632 177.179 175.510 0.062 0.000 1.027 140 N CA 1.183 54.291 53.050 0.097 0.000 0.849 140 N CB 0.088 38.647 38.487 0.120 0.000 1.002 140 N HN 0.158 nan 8.380 nan 0.000 0.425 141 E N -0.511 119.745 120.200 0.095 0.000 2.166 141 E HA 0.006 4.356 4.350 -0.000 0.000 0.192 141 E C 1.120 177.605 176.600 -0.193 0.000 0.967 141 E CA 0.289 56.698 56.400 0.016 0.000 0.840 141 E CB 0.185 29.992 29.700 0.178 0.000 0.795 141 E HN 0.238 nan 8.360 nan 0.000 0.470 142 F N 1.457 121.201 119.950 -0.344 0.000 2.204 142 F HA 0.057 4.584 4.527 -0.000 0.000 0.276 142 F C 0.884 176.480 175.800 -0.341 0.000 1.085 142 F CA 0.116 57.806 58.000 -0.517 0.000 1.160 142 F CB 0.132 38.792 39.000 -0.567 0.000 1.091 142 F HN -0.325 nan 8.300 nan 0.000 0.522 143 V N 1.079 121.039 119.914 0.077 0.000 2.999 143 V HA 0.139 4.259 4.120 -0.000 0.000 0.307 143 V C 1.028 177.040 176.094 -0.136 0.000 1.084 143 V CA 0.513 62.738 62.300 -0.125 0.000 1.155 143 V CB 0.491 32.174 31.823 -0.234 0.000 0.975 143 V HN 0.455 nan 8.190 nan 0.000 0.490 144 G N 3.015 111.727 108.800 -0.147 0.000 3.939 144 G HA2 0.444 4.404 3.960 -0.000 0.000 0.268 144 G HA3 0.444 4.404 3.960 -0.000 0.000 0.268 144 G C -0.407 174.469 174.900 -0.041 0.000 1.172 144 G CA -0.092 44.947 45.100 -0.102 0.000 1.614 144 G HN 0.487 nan 8.290 nan 0.000 0.639 145 V N 2.035 121.946 119.914 -0.005 0.000 2.378 145 V HA 0.346 4.466 4.120 -0.000 0.000 0.288 145 V C -2.108 174.014 176.094 0.046 0.000 1.016 145 V CA -2.036 60.276 62.300 0.019 0.000 0.840 145 V CB 2.284 34.129 31.823 0.036 0.000 0.994 145 V HN 0.257 nan 8.190 nan 0.000 0.431 146 P HA 0.235 nan 4.420 nan 0.000 0.266 146 P C -0.334 177.071 177.300 0.174 0.000 1.586 146 P CA -0.051 63.120 63.100 0.118 0.000 1.088 146 P CB 0.266 32.041 31.700 0.126 0.000 1.584 147 C N 1.300 120.678 119.300 0.131 0.000 2.470 147 C HA 0.909 5.369 4.460 -0.000 0.000 0.341 147 C C 1.308 176.403 174.990 0.176 0.000 1.190 147 C CA -0.533 58.571 59.018 0.143 0.000 1.904 147 C CB 1.206 28.977 27.740 0.051 0.000 2.354 147 C HN 0.512 nan 8.230 nan 0.000 0.509 148 G N 0.009 108.933 108.800 0.207 0.000 2.447 148 G HA2 0.340 4.300 3.960 -0.000 0.000 0.269 148 G HA3 0.340 4.300 3.960 -0.000 0.000 0.269 148 G C 0.313 175.279 174.900 0.110 0.000 1.455 148 G CA -0.135 45.048 45.100 0.138 0.000 1.061 148 G HN 0.992 nan 8.290 nan 0.000 0.545 149 I N -0.620 120.001 120.570 0.085 0.000 3.941 149 I HA 0.211 4.381 4.170 -0.000 0.000 0.321 149 I C 2.241 178.425 176.117 0.112 0.000 1.284 149 I CA -0.148 61.222 61.300 0.117 0.000 1.226 149 I CB 0.005 38.083 38.000 0.129 0.000 1.045 149 I HN 0.421 nan 8.210 nan 0.000 0.420 150 L N 0.654 121.903 121.223 0.043 0.000 2.011 150 L HA -0.348 3.992 4.340 -0.000 0.000 0.225 150 L C 1.818 178.740 176.870 0.087 0.000 1.084 150 L CA 2.439 57.295 54.840 0.026 0.000 0.791 150 L CB -0.637 41.416 42.059 -0.010 0.000 0.898 150 L HN 0.314 nan 8.230 nan 0.000 0.440 151 D N -0.734 119.706 120.400 0.068 0.000 2.084 151 D HA -0.205 4.435 4.640 -0.000 0.000 0.194 151 D C 2.240 178.591 176.300 0.084 0.000 0.990 151 D CA 1.257 55.288 54.000 0.051 0.000 0.826 151 D CB -0.239 40.574 40.800 0.021 0.000 0.971 151 D HN 0.378 nan 8.370 nan 0.000 0.453 152 Q N -0.416 119.450 119.800 0.110 0.000 2.124 152 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 152 Q C 1.973 178.060 176.000 0.146 0.000 0.977 152 Q CA 0.690 56.558 55.803 0.108 0.000 0.850 152 Q CB -0.412 28.398 28.738 0.120 0.000 0.901 152 Q HN 0.295 nan 8.270 nan 0.000 0.429 153 F N 0.367 120.367 119.950 0.083 0.000 2.134 153 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 153 F C 2.047 177.935 175.800 0.147 0.000 1.097 153 F CA 1.199 59.279 58.000 0.133 0.000 1.264 153 F CB -0.240 38.758 39.000 -0.004 0.000 1.001 153 F HN 0.095 nan 8.300 nan 0.000 0.479 154 A N -0.556 122.441 122.820 0.294 0.000 1.873 154 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 154 A C 2.248 179.885 177.584 0.088 0.000 1.186 154 A CA 1.849 54.000 52.037 0.190 0.000 0.616 154 A CB -1.302 17.762 19.000 0.106 0.000 0.823 154 A HN 0.215 nan 8.150 nan 0.000 0.442 155 V N -0.388 119.549 119.914 0.039 0.000 2.490 155 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 155 V C 2.509 178.566 176.094 -0.061 0.000 1.061 155 V CA 1.912 64.201 62.300 -0.018 0.000 1.064 155 V CB -0.444 31.366 31.823 -0.022 0.000 0.670 155 V HN 0.379 nan 8.190 nan 0.000 0.461 156 V N -1.473 118.378 119.914 -0.106 0.000 2.407 156 V HA -0.065 4.055 4.120 -0.000 0.000 0.245 156 V C 1.834 177.672 176.094 -0.426 0.000 1.041 156 V CA 1.812 63.929 62.300 -0.304 0.000 1.040 156 V CB -0.452 31.095 31.823 -0.461 0.000 0.671 156 V HN 0.505 nan 8.190 nan 0.000 0.455 157 F N 0.510 120.318 119.950 -0.236 0.000 2.695 157 F HA 0.446 4.973 4.527 -0.000 0.000 0.303 157 F C 1.735 177.576 175.800 0.069 0.000 1.091 157 F CA -0.119 57.777 58.000 -0.174 0.000 1.300 157 F CB -0.483 38.201 39.000 -0.526 0.000 1.071 157 F HN 0.152 nan 8.300 nan 0.000 0.578 158 G N 2.019 110.919 108.800 0.168 0.000 2.238 158 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.234 158 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.234 158 G C -0.297 174.618 174.900 0.025 0.000 1.181 158 G CA -0.137 45.040 45.100 0.127 0.000 0.871 158 G HN 0.232 nan 8.290 nan 0.000 0.490 159 K N 1.223 121.558 120.400 -0.108 0.000 2.318 159 K HA 0.381 4.701 4.320 -0.000 0.000 0.249 159 K C 1.471 177.991 176.600 -0.133 0.000 0.942 159 K CA -0.756 55.369 56.287 -0.270 0.000 0.808 159 K CB 1.733 33.761 32.500 -0.787 0.000 1.189 159 K HN 0.282 nan 8.250 nan 0.000 0.428 160 K N 2.091 122.436 120.400 -0.091 0.000 2.049 160 K HA -0.173 4.147 4.320 -0.000 0.000 0.219 160 K C 0.177 176.771 176.600 -0.010 0.000 1.056 160 K CA 2.530 58.798 56.287 -0.033 0.000 0.946 160 K CB -0.432 32.056 32.500 -0.020 0.000 0.723 160 K HN 0.784 nan 8.250 nan 0.000 0.453 161 D N 0.561 120.961 120.400 -0.001 0.000 2.892 161 D HA 0.291 4.931 4.640 -0.000 0.000 0.291 161 D C -0.711 175.651 176.300 0.103 0.000 1.341 161 D CA -0.123 53.913 54.000 0.059 0.000 0.844 161 D CB -0.185 40.657 40.800 0.070 0.000 1.093 161 D HN 0.352 nan 8.370 nan 0.000 0.480 162 N N 0.316 119.060 118.700 0.074 0.000 2.284 162 N HA 0.319 5.059 4.740 -0.000 0.000 0.289 162 N C -0.263 175.338 175.510 0.152 0.000 1.179 162 N CA -0.566 52.565 53.050 0.134 0.000 0.774 162 N CB 3.291 41.818 38.487 0.067 0.000 1.548 162 N HN -0.140 nan 8.380 nan 0.000 0.473 163 V N -1.163 118.887 119.914 0.227 0.000 3.096 163 V HA 0.684 4.804 4.120 -0.000 0.000 0.319 163 V C 0.027 176.325 176.094 0.340 0.000 1.082 163 V CA -0.758 61.672 62.300 0.216 0.000 1.022 163 V CB 1.274 33.215 31.823 0.196 0.000 1.103 163 V HN 0.495 nan 8.190 nan 0.000 0.455 164 I N 1.911 122.659 120.570 0.296 0.000 2.362 164 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 164 I C -0.860 175.383 176.117 0.210 0.000 0.994 164 I CA -0.223 61.253 61.300 0.293 0.000 1.158 164 I CB 1.526 39.680 38.000 0.255 0.000 1.315 164 I HN 0.697 nan 8.210 nan 0.000 0.451 165 F N 8.307 128.304 119.950 0.078 0.000 2.411 165 F HA 0.562 5.089 4.527 -0.000 0.000 0.355 165 F C -1.137 174.657 175.800 -0.010 0.000 1.117 165 F CA -0.386 57.626 58.000 0.020 0.000 1.139 165 F CB 0.601 39.600 39.000 -0.001 0.000 1.120 165 F HN 0.300 nan 8.300 nan 0.000 0.493 166 L N 6.740 127.471 121.223 -0.819 0.000 2.385 166 L HA 0.340 4.680 4.340 -0.000 0.000 0.273 166 L C -1.305 175.163 176.870 -0.671 0.000 0.990 166 L CA -0.711 53.710 54.840 -0.699 0.000 0.821 166 L CB 1.641 43.272 42.059 -0.713 0.000 1.279 166 L HN 0.576 nan 8.230 nan 0.000 0.412 167 D N 2.546 122.674 120.400 -0.454 0.000 2.347 167 D HA 0.082 4.722 4.640 -0.000 0.000 0.235 167 D C 1.057 177.207 176.300 -0.250 0.000 1.149 167 D CA -0.179 53.680 54.000 -0.235 0.000 0.850 167 D CB 1.736 42.502 40.800 -0.057 0.000 1.061 167 D HN 0.697 nan 8.370 nan 0.000 0.487 168 T N 0.717 115.132 114.554 -0.231 0.000 3.085 168 T HA -0.136 4.214 4.350 -0.000 0.000 0.263 168 T C 1.486 176.206 174.700 0.032 0.000 1.127 168 T CA 0.709 62.728 62.100 -0.134 0.000 1.103 168 T CB 0.166 68.970 68.868 -0.106 0.000 0.921 168 T HN 0.459 nan 8.240 nan 0.000 0.510 169 Q N 1.480 121.275 119.800 -0.009 0.000 2.137 169 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 169 Q C 2.217 178.167 176.000 -0.083 0.000 0.960 169 Q CA 1.702 57.481 55.803 -0.041 0.000 0.847 169 Q CB -0.044 28.648 28.738 -0.076 0.000 0.915 169 Q HN 0.757 nan 8.270 nan 0.000 0.448 170 T N -3.117 111.395 114.554 -0.070 0.000 3.014 170 T HA 0.208 4.558 4.350 -0.000 0.000 0.250 170 T C 0.931 175.612 174.700 -0.033 0.000 1.060 170 T CA 0.181 62.252 62.100 -0.048 0.000 1.040 170 T CB 0.146 68.995 68.868 -0.031 0.000 0.971 170 T HN 0.386 nan 8.240 nan 0.000 0.497 171 L N -0.474 120.711 121.223 -0.064 0.000 4.040 171 L HA -0.185 4.155 4.340 -0.000 0.000 0.410 171 L C 0.515 177.379 176.870 -0.010 0.000 1.187 171 L CA 0.412 55.214 54.840 -0.063 0.000 0.956 171 L CB -2.790 39.299 42.059 0.050 0.000 2.022 171 L HN 0.705 nan 8.230 nan 0.000 0.897 172 Q N 0.593 120.367 119.800 -0.044 0.000 2.256 172 Q HA 0.585 4.925 4.340 -0.000 0.000 0.254 172 Q C -0.620 175.351 176.000 -0.048 0.000 0.916 172 Q CA 0.045 55.830 55.803 -0.031 0.000 0.932 172 Q CB 1.295 30.013 28.738 -0.033 0.000 1.207 172 Q HN 0.425 nan 8.270 nan 0.000 0.426 173 Y N -1.705 118.501 120.300 -0.156 0.000 2.634 173 Y HA 0.815 5.365 4.550 -0.000 0.000 0.340 173 Y C -0.304 175.524 175.900 -0.119 0.000 1.058 173 Y CA -1.242 56.743 58.100 -0.191 0.000 1.081 173 Y CB 1.910 40.226 38.460 -0.241 0.000 1.295 173 Y HN 0.792 nan 8.280 nan 0.000 0.487 174 E N 1.375 121.591 120.200 0.027 0.000 2.321 174 E HA 0.307 4.657 4.350 -0.000 0.000 0.281 174 E C -2.240 174.400 176.600 0.066 0.000 0.910 174 E CA -0.804 55.574 56.400 -0.037 0.000 0.770 174 E CB 1.442 31.189 29.700 0.079 0.000 1.225 174 E HN 0.789 nan 8.360 nan 0.000 0.417 175 Y N 3.346 123.787 120.300 0.236 0.000 2.377 175 Y HA 0.309 4.859 4.550 -0.000 0.000 0.330 175 Y C 0.325 176.313 175.900 0.148 0.000 1.108 175 Y CA -0.393 57.836 58.100 0.216 0.000 1.308 175 Y CB 0.870 39.450 38.460 0.200 0.000 1.216 175 Y HN 0.366 nan 8.280 nan 0.000 0.518 176 I N 6.028 126.793 120.570 0.326 0.000 2.410 176 I HA 0.289 4.459 4.170 -0.000 0.000 0.286 176 I C -2.573 173.666 176.117 0.202 0.000 1.009 176 I CA -2.565 58.856 61.300 0.202 0.000 1.111 176 I CB 1.652 39.743 38.000 0.152 0.000 1.262 176 I HN 0.308 nan 8.210 nan 0.000 0.443 177 P HA -0.027 nan 4.420 nan 0.000 0.262 177 P C -0.943 176.446 177.300 0.149 0.000 1.182 177 P CA 0.346 63.525 63.100 0.131 0.000 0.761 177 P CB 0.250 31.994 31.700 0.074 0.000 0.795 178 F N 5.919 125.889 119.950 0.033 0.000 2.436 178 F HA 0.492 5.019 4.527 -0.000 0.000 0.340 178 F C -2.102 173.704 175.800 0.010 0.000 1.113 178 F CA -2.850 55.163 58.000 0.021 0.000 1.022 178 F CB 1.291 40.311 39.000 0.032 0.000 1.128 178 F HN 0.228 nan 8.300 nan 0.000 0.466 179 P HA 0.081 nan 4.420 nan 0.000 0.271 179 P C -0.059 177.236 177.300 -0.008 0.000 1.220 179 P CA -0.136 62.852 63.100 -0.186 0.000 0.768 179 P CB 0.969 32.488 31.700 -0.302 0.000 0.848 180 K N 1.123 121.551 120.400 0.047 0.000 2.211 180 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 180 K C 1.184 177.837 176.600 0.089 0.000 1.050 180 K CA 1.614 57.958 56.287 0.095 0.000 0.945 180 K CB -1.250 31.291 32.500 0.069 0.000 0.732 180 K HN 0.683 nan 8.250 nan 0.000 0.451 181 D N 0.323 120.753 120.400 0.050 0.000 2.355 181 D HA -0.015 4.625 4.640 -0.000 0.000 0.218 181 D C 0.378 176.729 176.300 0.084 0.000 1.004 181 D CA 0.099 54.134 54.000 0.058 0.000 0.880 181 D CB -0.273 40.547 40.800 0.034 0.000 0.911 181 D HN 0.183 nan 8.370 nan 0.000 0.528 182 V N 0.474 120.436 119.914 0.081 0.000 2.483 182 V HA 0.417 4.537 4.120 -0.000 0.000 0.295 182 V C 0.084 176.363 176.094 0.308 0.000 1.035 182 V CA -0.689 61.699 62.300 0.147 0.000 0.896 182 V CB 1.780 33.575 31.823 -0.047 0.000 0.986 182 V HN 0.020 nan 8.190 nan 0.000 0.447 183 S N 2.531 118.404 115.700 0.288 0.000 2.513 183 S HA 0.577 5.047 4.470 -0.000 0.000 0.299 183 S C -0.517 174.232 174.600 0.248 0.000 1.087 183 S CA -0.525 57.827 58.200 0.254 0.000 1.012 183 S CB 1.959 65.267 63.200 0.180 0.000 1.044 183 S HN 0.442 nan 8.310 nan 0.000 0.485 184 V N 4.148 124.159 119.914 0.162 0.000 2.368 184 V HA 0.243 4.363 4.120 -0.000 0.000 0.266 184 V C 0.098 176.276 176.094 0.139 0.000 1.045 184 V CA -0.434 61.936 62.300 0.116 0.000 0.899 184 V CB 0.454 32.254 31.823 -0.039 0.000 1.006 184 V HN 0.722 nan 8.190 nan 0.000 0.470 185 L N 6.026 127.357 121.223 0.179 0.000 2.418 185 L HA 0.271 4.611 4.340 -0.000 0.000 0.274 185 L C -0.245 176.753 176.870 0.212 0.000 1.135 185 L CA 0.044 55.014 54.840 0.217 0.000 0.870 185 L CB 1.370 43.572 42.059 0.237 0.000 1.154 185 L HN 0.409 nan 8.230 nan 0.000 0.462 186 V N 5.782 125.830 119.914 0.224 0.000 2.383 186 V HA 0.237 4.357 4.120 -0.000 0.000 0.275 186 V C -0.320 175.903 176.094 0.215 0.000 1.036 186 V CA -0.370 62.039 62.300 0.180 0.000 0.889 186 V CB 1.381 33.303 31.823 0.165 0.000 0.985 186 V HN 0.431 nan 8.190 nan 0.000 0.459 187 F N 6.058 125.909 119.950 -0.164 0.000 2.403 187 F HA 0.513 5.040 4.527 -0.000 0.000 0.355 187 F C -0.665 175.017 175.800 -0.196 0.000 1.119 187 F CA -0.852 56.973 58.000 -0.292 0.000 1.007 187 F CB 1.029 39.459 39.000 -0.949 0.000 1.194 187 F HN 0.556 nan 8.300 nan 0.000 0.443 188 Y N 5.143 125.181 120.300 -0.438 0.000 2.327 188 Y HA 0.225 4.775 4.550 -0.000 0.000 0.336 188 Y C 1.291 176.969 175.900 -0.370 0.000 1.035 188 Y CA -0.823 57.115 58.100 -0.270 0.000 1.165 188 Y CB 1.365 39.742 38.460 -0.137 0.000 1.181 188 Y HN 0.733 nan 8.280 nan 0.000 0.494 189 T N 0.955 115.219 114.554 -0.484 0.000 3.055 189 T HA 0.146 4.496 4.350 -0.000 0.000 0.265 189 T C 1.524 175.877 174.700 -0.578 0.000 1.111 189 T CA 0.610 62.484 62.100 -0.376 0.000 1.118 189 T CB -0.532 68.251 68.868 -0.141 0.000 0.909 189 T HN 1.399 nan 8.240 nan 0.000 0.501 190 G N 0.599 108.572 108.800 -1.379 0.000 2.162 190 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 190 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 190 G C 0.039 174.565 174.900 -0.623 0.000 0.976 190 G CA 0.070 44.634 45.100 -0.894 0.000 0.655 190 G HN 0.754 nan 8.290 nan 0.000 0.533 191 V N 0.230 119.728 119.914 -0.693 0.000 2.347 191 V HA 0.803 4.923 4.120 -0.000 0.000 0.280 191 V C 0.387 176.325 176.094 -0.261 0.000 1.021 191 V CA 0.139 62.000 62.300 -0.732 0.000 0.847 191 V CB 1.299 32.647 31.823 -0.791 0.000 0.990 191 V HN 0.818 nan 8.190 nan 0.000 0.444 192 K N 5.021 125.310 120.400 -0.184 0.000 2.575 192 K HA 0.582 4.902 4.320 -0.000 0.000 0.236 192 K C -0.080 176.481 176.600 -0.065 0.000 0.976 192 K CA -0.792 55.464 56.287 -0.051 0.000 0.985 192 K CB 0.738 33.246 32.500 0.013 0.000 1.198 192 K HN 0.592 nan 8.250 nan 0.000 0.464 193 R N 1.082 121.549 120.500 -0.056 0.000 2.615 193 R HA 0.347 4.687 4.340 -0.000 0.000 0.270 193 R C 1.702 177.979 176.300 -0.038 0.000 1.081 193 R CA 0.474 56.548 56.100 -0.043 0.000 1.154 193 R CB 0.783 31.067 30.300 -0.028 0.000 1.063 193 R HN 0.827 nan 8.270 nan 0.000 0.519 194 E N 2.183 122.366 120.200 -0.029 0.000 2.072 194 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 194 E C 2.333 178.890 176.600 -0.072 0.000 0.985 194 E CA 1.773 58.154 56.400 -0.032 0.000 0.801 194 E CB -1.092 28.601 29.700 -0.013 0.000 0.750 194 E HN 0.581 nan 8.360 nan 0.000 0.452 195 L N 0.675 121.834 121.223 -0.107 0.000 2.189 195 L HA 0.239 4.579 4.340 -0.000 0.000 0.214 195 L C 3.058 179.758 176.870 -0.283 0.000 1.097 195 L CA 2.967 57.695 54.840 -0.187 0.000 0.764 195 L CB -1.872 40.050 42.059 -0.229 0.000 0.900 195 L HN 0.738 nan 8.230 nan 0.000 0.436 196 A N -0.991 121.669 122.820 -0.268 0.000 1.851 196 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 196 A C 2.711 180.203 177.584 -0.154 0.000 1.195 196 A CA 2.124 53.978 52.037 -0.305 0.000 0.622 196 A CB -1.116 17.837 19.000 -0.079 0.000 0.831 196 A HN 0.640 nan 8.150 nan 0.000 0.444 197 S N -0.403 115.251 115.700 -0.076 0.000 2.372 197 S HA -0.240 4.230 4.470 -0.000 0.000 0.227 197 S C 2.390 176.991 174.600 0.002 0.000 1.044 197 S CA 1.937 60.123 58.200 -0.024 0.000 1.050 197 S CB -0.529 62.654 63.200 -0.029 0.000 0.901 197 S HN 0.805 nan 8.310 nan 0.000 0.447 198 S N 0.903 116.566 115.700 -0.062 0.000 2.368 198 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 198 S C 1.835 176.379 174.600 -0.092 0.000 1.030 198 S CA 1.042 59.202 58.200 -0.067 0.000 0.999 198 S CB -0.361 62.788 63.200 -0.085 0.000 0.844 198 S HN 0.366 nan 8.310 nan 0.000 0.459 199 E N -0.029 120.051 120.200 -0.200 0.000 2.153 199 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 199 E C 1.682 178.269 176.600 -0.022 0.000 0.988 199 E CA 0.974 57.244 56.400 -0.216 0.000 0.811 199 E CB -0.503 28.790 29.700 -0.678 0.000 0.746 199 E HN 0.816 nan 8.360 nan 0.000 0.466 200 Y N 1.113 121.382 120.300 -0.051 0.000 2.200 200 Y HA -0.164 4.386 4.550 -0.000 0.000 0.290 200 Y C 2.226 178.066 175.900 -0.100 0.000 1.137 200 Y CA 1.664 59.779 58.100 0.026 0.000 1.163 200 Y CB -0.219 38.272 38.460 0.052 0.000 0.988 200 Y HN 0.006 nan 8.280 nan 0.000 0.518 201 A N -0.182 122.647 122.820 0.015 0.000 1.968 201 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 201 A C 2.033 179.524 177.584 -0.154 0.000 1.169 201 A CA 1.497 53.486 52.037 -0.080 0.000 0.638 201 A CB -0.417 18.586 19.000 0.005 0.000 0.812 201 A HN 0.446 nan 8.150 nan 0.000 0.446 202 E N -0.029 120.099 120.200 -0.121 0.000 2.152 202 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 202 E C 2.170 178.687 176.600 -0.138 0.000 0.983 202 E CA 0.506 56.845 56.400 -0.101 0.000 0.818 202 E CB -0.249 29.412 29.700 -0.066 0.000 0.758 202 E HN 0.372 nan 8.360 nan 0.000 0.467 203 R N 0.788 121.149 120.500 -0.232 0.000 2.075 203 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 203 R C 2.269 178.450 176.300 -0.197 0.000 1.126 203 R CA 1.019 56.958 56.100 -0.268 0.000 0.963 203 R CB -0.549 29.567 30.300 -0.306 0.000 0.858 203 R HN 0.131 nan 8.270 nan 0.000 0.435 204 K N 0.922 120.991 120.400 -0.552 0.000 2.097 204 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 204 K C 2.187 178.680 176.600 -0.177 0.000 1.049 204 K CA 1.383 57.267 56.287 -0.672 0.000 0.933 204 K CB 0.006 31.924 32.500 -0.970 0.000 0.717 204 K HN -0.010 nan 8.250 nan 0.000 0.442 205 R N 0.420 120.844 120.500 -0.128 0.000 2.075 205 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 205 R C 2.089 178.411 176.300 0.036 0.000 1.126 205 R CA 1.573 57.655 56.100 -0.029 0.000 0.963 205 R CB -0.197 30.085 30.300 -0.029 0.000 0.858 205 R HN 0.238 nan 8.270 nan 0.000 0.435 206 I N 0.725 121.306 120.570 0.019 0.000 2.546 206 I HA -0.123 4.047 4.170 -0.000 0.000 0.255 206 I C 2.373 178.595 176.117 0.176 0.000 1.163 206 I CA 0.923 62.220 61.300 -0.005 0.000 1.457 206 I CB -0.076 37.865 38.000 -0.099 0.000 1.092 206 I HN 0.295 nan 8.210 nan 0.000 0.434 207 A N 0.319 123.306 122.820 0.278 0.000 1.929 207 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 207 A C 2.159 179.960 177.584 0.363 0.000 1.176 207 A CA 1.352 53.670 52.037 0.469 0.000 0.628 207 A CB -0.420 18.919 19.000 0.564 0.000 0.816 207 A HN 0.403 nan 8.150 nan 0.000 0.444 208 E N -0.309 120.036 120.200 0.241 0.000 2.208 208 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 208 E C 1.850 178.537 176.600 0.145 0.000 0.988 208 E CA 1.094 57.602 56.400 0.181 0.000 0.828 208 E CB -0.076 29.702 29.700 0.130 0.000 0.763 208 E HN 0.724 nan 8.360 nan 0.000 0.478 209 E N 0.211 120.513 120.200 0.169 0.000 2.112 209 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 209 E C 2.109 178.779 176.600 0.117 0.000 0.979 209 E CA 0.569 57.067 56.400 0.163 0.000 0.814 209 E CB 0.156 30.032 29.700 0.294 0.000 0.762 209 E HN 0.020 nan 8.360 nan 0.000 0.460 210 S N 1.127 116.930 115.700 0.172 0.000 2.348 210 S HA -0.131 4.339 4.470 -0.000 0.000 0.221 210 S C 2.025 176.495 174.600 -0.217 0.000 1.033 210 S CA 0.842 59.010 58.200 -0.054 0.000 1.010 210 S CB -0.266 62.841 63.200 -0.154 0.000 0.891 210 S HN 0.193 nan 8.310 nan 0.000 0.442 211 L N 0.813 121.956 121.223 -0.134 0.000 2.043 211 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 211 L C 2.746 179.598 176.870 -0.031 0.000 1.075 211 L CA 1.462 56.266 54.840 -0.060 0.000 0.752 211 L CB -0.483 41.637 42.059 0.101 0.000 0.891 211 L HN 0.251 nan 8.230 nan 0.000 0.432 212 R N -0.120 120.379 120.500 -0.002 0.000 2.090 212 R HA -0.076 4.264 4.340 -0.000 0.000 0.228 212 R C 2.292 178.574 176.300 -0.030 0.000 1.110 212 R CA 1.105 57.205 56.100 0.001 0.000 0.973 212 R CB -0.219 30.092 30.300 0.020 0.000 0.869 212 R HN 0.306 nan 8.270 nan 0.000 0.440 213 I N 0.665 121.200 120.570 -0.059 0.000 2.361 213 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 213 I C 1.717 177.789 176.117 -0.075 0.000 1.133 213 I CA 1.278 62.530 61.300 -0.080 0.000 1.413 213 I CB -0.010 37.916 38.000 -0.123 0.000 1.073 213 I HN 0.156 nan 8.210 nan 0.000 0.424 214 L N 0.071 121.241 121.223 -0.088 0.000 2.567 214 L HA 0.233 4.573 4.340 -0.000 0.000 0.225 214 L C 1.451 178.297 176.870 -0.040 0.000 1.119 214 L CA 0.338 55.133 54.840 -0.076 0.000 0.871 214 L CB -0.380 41.609 42.059 -0.116 0.000 1.036 214 L HN 0.435 nan 8.230 nan 0.000 0.459 215 G N 1.042 109.824 108.800 -0.029 0.000 2.249 215 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.273 215 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.273 215 G C 0.007 174.907 174.900 0.001 0.000 1.036 215 G CA 0.407 45.501 45.100 -0.010 0.000 0.824 215 G HN 0.250 nan 8.290 nan 0.000 0.504 216 K N -0.856 119.549 120.400 0.008 0.000 2.295 216 K HA 0.687 5.007 4.320 -0.000 0.000 0.239 216 K C 1.031 177.663 176.600 0.055 0.000 0.991 216 K CA -0.648 55.657 56.287 0.029 0.000 0.845 216 K CB 1.228 33.750 32.500 0.037 0.000 1.197 216 K HN 0.146 nan 8.250 nan 0.000 0.441 217 E N -0.614 119.623 120.200 0.061 0.000 2.473 217 E HA 0.126 4.476 4.350 -0.000 0.000 0.204 217 E C -0.290 176.403 176.600 0.155 0.000 0.994 217 E CA -0.075 56.374 56.400 0.081 0.000 0.945 217 E CB 1.164 30.866 29.700 0.004 0.000 0.990 217 E HN 0.330 nan 8.360 nan 0.000 0.493 218 S N -0.620 115.163 115.700 0.139 0.000 2.588 218 S HA 0.211 4.681 4.470 -0.000 0.000 0.275 218 S C 0.588 175.287 174.600 0.164 0.000 1.130 218 S CA -0.437 57.859 58.200 0.160 0.000 0.855 218 S CB 1.544 64.783 63.200 0.065 0.000 1.116 218 S HN 0.058 nan 8.310 nan 0.000 0.472 219 S N 2.269 118.043 115.700 0.123 0.000 2.527 219 S HA 0.081 4.551 4.470 -0.000 0.000 0.222 219 S C 1.311 175.937 174.600 0.044 0.000 0.985 219 S CA 0.143 58.420 58.200 0.130 0.000 0.921 219 S CB -0.341 62.775 63.200 -0.140 0.000 0.772 219 S HN 0.723 nan 8.310 nan 0.000 0.529 220 K N 1.684 122.066 120.400 -0.030 0.000 2.147 220 K HA -0.044 4.276 4.320 -0.000 0.000 0.205 220 K C 1.397 178.026 176.600 0.047 0.000 1.049 220 K CA 1.302 57.571 56.287 -0.029 0.000 0.936 220 K CB -0.185 32.250 32.500 -0.108 0.000 0.722 220 K HN 0.552 nan 8.250 nan 0.000 0.446 221 E N 1.081 121.318 120.200 0.061 0.000 2.461 221 E HA -0.029 4.321 4.350 -0.000 0.000 0.196 221 E C -0.595 176.052 176.600 0.079 0.000 1.129 221 E CA 0.141 56.579 56.400 0.064 0.000 0.902 221 E CB 0.124 29.857 29.700 0.055 0.000 0.963 221 E HN -0.012 nan 8.360 nan 0.000 0.503 222 V N 1.163 121.137 119.914 0.101 0.000 2.531 222 V HA 0.187 4.307 4.120 -0.000 0.000 0.301 222 V C 0.211 176.369 176.094 0.107 0.000 1.034 222 V CA -0.810 61.566 62.300 0.127 0.000 0.865 222 V CB 1.924 33.894 31.823 0.245 0.000 0.995 222 V HN 0.033 nan 8.190 nan 0.000 0.424 223 T N 2.108 116.713 114.554 0.084 0.000 2.936 223 T HA 0.518 4.868 4.350 -0.000 0.000 0.282 223 T C 1.451 176.193 174.700 0.070 0.000 1.003 223 T CA 0.158 62.298 62.100 0.065 0.000 1.005 223 T CB 1.624 70.520 68.868 0.046 0.000 1.097 223 T HN 0.848 nan 8.240 nan 0.000 0.532 224 E N 0.489 120.724 120.200 0.058 0.000 2.077 224 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 224 E C 2.414 179.042 176.600 0.046 0.000 0.989 224 E CA 1.984 58.417 56.400 0.056 0.000 0.800 224 E CB -1.470 28.257 29.700 0.045 0.000 0.746 224 E HN 0.733 nan 8.360 nan 0.000 0.452 225 K N 1.314 121.735 120.400 0.035 0.000 2.097 225 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 225 K C 2.043 178.656 176.600 0.021 0.000 1.049 225 K CA 1.679 57.981 56.287 0.025 0.000 0.933 225 K CB -0.852 31.659 32.500 0.019 0.000 0.717 225 K HN 0.523 nan 8.250 nan 0.000 0.442 226 D N 0.802 121.218 120.400 0.026 0.000 2.092 226 D HA -0.127 4.513 4.640 -0.000 0.000 0.193 226 D C 1.999 178.307 176.300 0.012 0.000 0.994 226 D CA 1.482 55.489 54.000 0.012 0.000 0.828 226 D CB -0.215 40.597 40.800 0.020 0.000 0.963 226 D HN 0.409 nan 8.370 nan 0.000 0.450 227 L N 0.749 122.002 121.223 0.050 0.000 2.127 227 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 227 L C 2.609 179.505 176.870 0.043 0.000 1.089 227 L CA 1.294 56.175 54.840 0.069 0.000 0.757 227 L CB -0.793 41.334 42.059 0.114 0.000 0.899 227 L HN 0.089 nan 8.230 nan 0.000 0.434 228 G N -0.172 108.647 108.800 0.031 0.000 2.442 228 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 228 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 228 G C 1.799 176.700 174.900 0.002 0.000 1.141 228 G CA 0.728 45.839 45.100 0.019 0.000 0.763 228 G HN 0.219 nan 8.290 nan 0.000 0.554 229 K N -0.254 120.141 120.400 -0.009 0.000 2.281 229 K HA 0.127 4.447 4.320 -0.000 0.000 0.203 229 K C 1.297 177.870 176.600 -0.046 0.000 1.046 229 K CA 0.228 56.498 56.287 -0.028 0.000 0.938 229 K CB -0.503 31.976 32.500 -0.036 0.000 0.737 229 K HN 0.397 nan 8.250 nan 0.000 0.458 230 L N 1.155 122.355 121.223 -0.039 0.000 2.418 230 L HA 0.292 4.632 4.340 -0.000 0.000 0.265 230 L C -2.152 174.697 176.870 -0.035 0.000 1.143 230 L CA -2.372 52.437 54.840 -0.052 0.000 0.809 230 L CB 0.424 42.481 42.059 -0.003 0.000 1.124 230 L HN 0.039 nan 8.230 nan 0.000 0.456 231 P HA 0.206 nan 4.420 nan 0.000 0.274 231 P C -2.214 175.111 177.300 0.042 0.000 1.256 231 P CA -1.377 61.705 63.100 -0.030 0.000 0.795 231 P CB -0.020 31.629 31.700 -0.085 0.000 1.038 232 P HA -0.200 nan 4.420 nan 0.000 0.213 232 P C 1.555 178.837 177.300 -0.030 0.000 1.176 232 P CA 1.154 64.254 63.100 0.001 0.000 0.919 232 P CB -0.250 31.441 31.700 -0.016 0.000 0.791 233 L N -1.548 119.641 121.223 -0.056 0.000 2.056 233 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 233 L C 2.245 178.959 176.870 -0.260 0.000 1.078 233 L CA 2.014 56.690 54.840 -0.273 0.000 0.749 233 L CB -1.551 40.337 42.059 -0.285 0.000 0.901 233 L HN -0.017 nan 8.230 nan 0.000 0.433 234 H N -0.627 118.385 119.070 -0.096 0.000 2.353 234 H HA -0.153 4.403 4.556 -0.000 0.000 0.298 234 H C 2.391 177.782 175.328 0.105 0.000 1.103 234 H CA 2.116 58.185 56.048 0.034 0.000 1.293 234 H CB -0.187 29.588 29.762 0.021 0.000 1.372 234 H HN 0.297 nan 8.280 nan 0.000 0.501 235 R N 0.942 121.547 120.500 0.174 0.000 2.090 235 R HA -0.129 4.211 4.340 -0.000 0.000 0.228 235 R C 2.186 178.592 176.300 0.177 0.000 1.110 235 R CA 1.515 57.715 56.100 0.166 0.000 0.973 235 R CB 0.014 30.372 30.300 0.096 0.000 0.869 235 R HN 0.277 nan 8.270 nan 0.000 0.440 236 K N -0.060 120.381 120.400 0.069 0.000 2.001 236 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 236 K C 1.907 178.685 176.600 0.297 0.000 1.048 236 K CA 1.654 57.991 56.287 0.083 0.000 0.932 236 K CB -0.269 32.173 32.500 -0.097 0.000 0.715 236 K HN 0.181 nan 8.250 nan 0.000 0.437 237 F N -0.617 119.432 119.950 0.165 0.000 2.234 237 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 237 F C 2.036 178.092 175.800 0.427 0.000 1.087 237 F CA 0.149 58.288 58.000 0.233 0.000 1.340 237 F CB -0.059 38.939 39.000 -0.004 0.000 1.031 237 F HN 0.077 nan 8.300 nan 0.000 0.500 238 F N 0.335 120.525 119.950 0.400 0.000 2.416 238 F HA -0.086 4.441 4.527 -0.000 0.000 0.296 238 F C 2.374 178.310 175.800 0.225 0.000 1.099 238 F CA 0.709 58.889 58.000 0.301 0.000 1.427 238 F CB -0.287 38.844 39.000 0.218 0.000 1.079 238 F HN -0.251 nan 8.300 nan 0.000 0.536 239 S N -0.523 115.390 115.700 0.355 0.000 2.382 239 S HA -0.257 4.213 4.470 -0.000 0.000 0.228 239 S C 1.768 176.451 174.600 0.139 0.000 1.027 239 S CA 1.397 59.731 58.200 0.223 0.000 0.991 239 S CB -0.728 62.597 63.200 0.208 0.000 0.823 239 S HN 0.644 nan 8.310 nan 0.000 0.469 240 Y N 2.234 122.609 120.300 0.124 0.000 2.145 240 Y HA -0.112 4.438 4.550 -0.000 0.000 0.286 240 Y C 1.841 177.670 175.900 -0.118 0.000 1.145 240 Y CA 1.357 59.477 58.100 0.034 0.000 1.148 240 Y CB -0.458 38.060 38.460 0.097 0.000 0.981 240 Y HN 0.168 nan 8.280 nan 0.000 0.507 241 I N -0.668 119.718 120.570 -0.306 0.000 2.286 241 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 241 I C 2.209 178.045 176.117 -0.469 0.000 1.115 241 I CA 1.109 62.089 61.300 -0.533 0.000 1.392 241 I CB -0.481 37.166 38.000 -0.588 0.000 1.065 241 I HN 0.159 nan 8.210 nan 0.000 0.418 242 V N 0.771 120.494 119.914 -0.318 0.000 2.358 242 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 242 V C 2.569 178.575 176.094 -0.146 0.000 1.047 242 V CA 1.715 63.922 62.300 -0.155 0.000 1.035 242 V CB -0.699 31.120 31.823 -0.006 0.000 0.658 242 V HN 0.360 nan 8.190 nan 0.000 0.452 243 R N -0.320 120.068 120.500 -0.188 0.000 2.081 243 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 243 R C 2.353 178.495 176.300 -0.263 0.000 1.131 243 R CA 1.597 57.588 56.100 -0.182 0.000 0.960 243 R CB -0.272 29.939 30.300 -0.147 0.000 0.856 243 R HN 0.585 nan 8.270 nan 0.000 0.436 244 E N 0.307 120.212 120.200 -0.490 0.000 2.106 244 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 244 E C 1.645 178.151 176.600 -0.156 0.000 0.984 244 E CA 0.722 56.895 56.400 -0.378 0.000 0.806 244 E CB 0.054 29.456 29.700 -0.498 0.000 0.750 244 E HN 0.299 nan 8.360 nan 0.000 0.458 245 N N 0.567 119.198 118.700 -0.115 0.000 2.166 245 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 245 N C 1.643 177.221 175.510 0.113 0.000 1.019 245 N CA 1.133 54.244 53.050 0.102 0.000 0.856 245 N CB -0.216 38.337 38.487 0.110 0.000 0.993 245 N HN 0.126 nan 8.380 nan 0.000 0.426 246 A N 1.409 124.239 122.820 0.017 0.000 1.898 246 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 246 A C 2.286 179.857 177.584 -0.022 0.000 1.181 246 A CA 0.968 53.006 52.037 0.002 0.000 0.620 246 A CB -0.305 18.689 19.000 -0.011 0.000 0.819 246 A HN 0.204 nan 8.150 nan 0.000 0.442 247 R N -0.633 119.848 120.500 -0.031 0.000 2.075 247 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 247 R C 2.071 178.362 176.300 -0.014 0.000 1.126 247 R CA 1.333 57.419 56.100 -0.024 0.000 0.963 247 R CB -0.576 29.707 30.300 -0.029 0.000 0.858 247 R HN 0.393 nan 8.270 nan 0.000 0.435 248 V N 2.016 121.936 119.914 0.010 0.000 2.252 248 V HA -0.296 3.824 4.120 -0.000 0.000 0.249 248 V C 2.409 178.478 176.094 -0.042 0.000 1.056 248 V CA 1.899 64.227 62.300 0.046 0.000 1.022 248 V CB -0.583 31.329 31.823 0.147 0.000 0.641 248 V HN 0.316 nan 8.190 nan 0.000 0.445 249 L N -0.437 120.709 121.223 -0.128 0.000 2.081 249 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 249 L C 2.719 179.485 176.870 -0.174 0.000 1.080 249 L CA 1.622 56.318 54.840 -0.240 0.000 0.754 249 L CB -0.756 41.166 42.059 -0.229 0.000 0.893 249 L HN 0.400 nan 8.230 nan 0.000 0.433 250 E N -0.203 119.937 120.200 -0.100 0.000 2.107 250 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 250 E C 2.396 178.955 176.600 -0.067 0.000 0.982 250 E CA 0.844 57.199 56.400 -0.075 0.000 0.809 250 E CB -0.063 29.611 29.700 -0.043 0.000 0.756 250 E HN 0.304 nan 8.360 nan 0.000 0.459 251 V N 1.526 121.410 119.914 -0.049 0.000 2.343 251 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 251 V C 2.645 178.702 176.094 -0.061 0.000 1.051 251 V CA 1.984 64.267 62.300 -0.028 0.000 1.036 251 V CB -0.495 31.338 31.823 0.017 0.000 0.654 251 V HN 0.198 nan 8.190 nan 0.000 0.451 252 R N 0.228 120.655 120.500 -0.122 0.000 2.096 252 R HA -0.223 4.117 4.340 -0.000 0.000 0.240 252 R C 1.962 178.154 176.300 -0.179 0.000 1.139 252 R CA 2.396 58.370 56.100 -0.210 0.000 0.952 252 R CB -0.409 29.600 30.300 -0.484 0.000 0.854 252 R HN 0.494 nan 8.270 nan 0.000 0.436 253 D N -0.023 120.278 120.400 -0.165 0.000 2.144 253 D HA -0.077 4.563 4.640 -0.000 0.000 0.200 253 D C 1.716 177.960 176.300 -0.093 0.000 0.978 253 D CA 1.497 55.422 54.000 -0.126 0.000 0.833 253 D CB -0.220 40.513 40.800 -0.112 0.000 0.961 253 D HN 0.445 nan 8.370 nan 0.000 0.470 254 A N 0.549 123.320 122.820 -0.082 0.000 1.929 254 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 254 A C 2.257 179.791 177.584 -0.083 0.000 1.176 254 A CA 0.537 52.531 52.037 -0.072 0.000 0.628 254 A CB -0.617 18.348 19.000 -0.058 0.000 0.816 254 A HN 0.205 nan 8.150 nan 0.000 0.444 255 L N -0.900 120.276 121.223 -0.077 0.000 2.093 255 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 255 L C 2.259 179.081 176.870 -0.079 0.000 1.085 255 L CA 1.399 56.190 54.840 -0.082 0.000 0.755 255 L CB -0.222 41.819 42.059 -0.029 0.000 0.904 255 L HN 0.355 nan 8.230 nan 0.000 0.435 256 K N -0.120 120.237 120.400 -0.071 0.000 2.439 256 K HA -0.120 4.200 4.320 -0.000 0.000 0.197 256 K C 0.854 177.418 176.600 -0.061 0.000 1.041 256 K CA 0.819 57.070 56.287 -0.061 0.000 0.970 256 K CB 0.157 32.615 32.500 -0.070 0.000 0.773 256 K HN 0.420 nan 8.250 nan 0.000 0.479 257 E N -0.685 119.473 120.200 -0.069 0.000 2.558 257 E HA 0.140 4.490 4.350 -0.000 0.000 0.205 257 E C 0.454 177.007 176.600 -0.077 0.000 1.006 257 E CA 0.069 56.430 56.400 -0.064 0.000 0.961 257 E CB 1.026 30.692 29.700 -0.057 0.000 1.044 257 E HN 0.270 nan 8.360 nan 0.000 0.465 258 G N 2.484 111.224 108.800 -0.101 0.000 2.203 258 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.263 258 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.263 258 G C -0.032 174.780 174.900 -0.148 0.000 1.012 258 G CA 0.549 45.568 45.100 -0.135 0.000 0.749 258 G HN 0.351 nan 8.290 nan 0.000 0.512 259 D N 0.013 120.338 120.400 -0.126 0.000 2.551 259 D HA 0.302 4.942 4.640 -0.000 0.000 0.223 259 D C 1.569 177.773 176.300 -0.159 0.000 1.144 259 D CA -0.658 53.272 54.000 -0.117 0.000 1.025 259 D CB -0.213 40.542 40.800 -0.076 0.000 1.085 259 D HN 0.185 nan 8.370 nan 0.000 0.506 260 I N 2.057 122.471 120.570 -0.261 0.000 2.756 260 I HA -0.153 4.017 4.170 -0.000 0.000 0.262 260 I C 1.575 177.486 176.117 -0.343 0.000 1.225 260 I CA 1.058 62.119 61.300 -0.397 0.000 1.472 260 I CB 0.275 37.873 38.000 -0.670 0.000 1.094 260 I HN 0.164 nan 8.210 nan 0.000 0.454 261 E N 0.255 120.354 120.200 -0.169 0.000 2.072 261 E HA -0.227 4.123 4.350 -0.000 0.000 0.190 261 E C 2.124 178.743 176.600 0.030 0.000 0.982 261 E CA 1.173 57.598 56.400 0.042 0.000 0.803 261 E CB -0.192 29.558 29.700 0.084 0.000 0.755 261 E HN 0.379 nan 8.360 nan 0.000 0.453 262 K N 0.534 120.927 120.400 -0.012 0.000 2.025 262 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 262 K C 1.975 178.576 176.600 0.001 0.000 1.049 262 K CA 1.016 57.301 56.287 -0.003 0.000 0.933 262 K CB -0.010 32.478 32.500 -0.019 0.000 0.714 262 K HN -0.039 nan 8.250 nan 0.000 0.438 263 V N 0.995 120.894 119.914 -0.025 0.000 2.282 263 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 263 V C 2.407 178.524 176.094 0.037 0.000 1.057 263 V CA 2.253 64.550 62.300 -0.005 0.000 1.032 263 V CB -1.100 30.706 31.823 -0.029 0.000 0.645 263 V HN 0.640 nan 8.190 nan 0.000 0.447 264 G N -0.460 108.370 108.800 0.050 0.000 2.418 264 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 264 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 264 G C 1.846 176.806 174.900 0.101 0.000 1.158 264 G CA 1.062 46.227 45.100 0.109 0.000 0.771 264 G HN 0.448 nan 8.290 nan 0.000 0.545 265 K N 0.180 120.632 120.400 0.086 0.000 2.103 265 K HA 0.051 4.371 4.320 -0.000 0.000 0.207 265 K C 2.551 179.201 176.600 0.084 0.000 1.048 265 K CA 1.077 57.415 56.287 0.084 0.000 0.930 265 K CB -0.501 32.039 32.500 0.066 0.000 0.716 265 K HN 0.534 nan 8.250 nan 0.000 0.444 266 I N 0.408 121.018 120.570 0.066 0.000 2.202 266 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 266 I C 2.278 178.439 176.117 0.073 0.000 1.091 266 I CA 1.293 62.629 61.300 0.060 0.000 1.368 266 I CB -0.327 37.695 38.000 0.037 0.000 1.058 266 I HN 0.142 nan 8.210 nan 0.000 0.410 267 L N -0.004 121.265 121.223 0.076 0.000 2.042 267 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 267 L C 2.618 179.537 176.870 0.082 0.000 1.076 267 L CA 1.793 56.681 54.840 0.080 0.000 0.749 267 L CB -1.313 40.798 42.059 0.086 0.000 0.893 267 L HN 0.293 nan 8.230 nan 0.000 0.432 268 T N -0.971 113.637 114.554 0.089 0.000 2.788 268 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 268 T C 1.913 176.718 174.700 0.176 0.000 1.044 268 T CA 1.809 63.969 62.100 0.099 0.000 1.139 268 T CB -0.196 68.758 68.868 0.143 0.000 0.867 268 T HN 0.357 nan 8.240 nan 0.000 0.454 269 T N 1.989 116.652 114.554 0.182 0.000 2.708 269 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 269 T C 2.417 177.229 174.700 0.187 0.000 1.037 269 T CA 1.193 63.422 62.100 0.214 0.000 1.146 269 T CB -0.622 68.331 68.868 0.142 0.000 0.865 269 T HN 0.429 nan 8.240 nan 0.000 0.435 270 A N 1.148 124.043 122.820 0.125 0.000 1.917 270 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 270 A C 2.004 179.638 177.584 0.084 0.000 1.182 270 A CA 2.553 54.660 52.037 0.116 0.000 0.633 270 A CB -1.075 17.978 19.000 0.088 0.000 0.819 270 A HN 0.741 nan 8.150 nan 0.000 0.448 271 H N -2.236 116.778 119.070 -0.094 0.000 2.353 271 H HA -0.177 4.379 4.556 -0.000 0.000 0.300 271 H C 1.725 176.855 175.328 -0.331 0.000 1.090 271 H CA 2.091 57.968 56.048 -0.285 0.000 1.327 271 H CB -0.324 29.132 29.762 -0.509 0.000 1.383 271 H HN 0.684 nan 8.280 nan 0.000 0.508 272 W N 0.241 121.593 121.300 0.087 0.000 2.595 272 W HA -0.019 4.641 4.660 -0.000 0.000 0.257 272 W C 1.962 178.490 176.519 0.015 0.000 1.267 272 W CA 0.379 57.744 57.345 0.033 0.000 1.300 272 W CB 0.167 29.688 29.460 0.101 0.000 1.120 272 W HN 0.291 nan 8.180 nan 0.000 0.618 273 D N 0.407 120.929 120.400 0.204 0.000 2.091 273 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 273 D C 2.158 178.526 176.300 0.113 0.000 0.980 273 D CA 1.160 55.299 54.000 0.232 0.000 0.831 273 D CB -0.408 40.579 40.800 0.313 0.000 0.987 273 D HN 0.044 nan 8.370 nan 0.000 0.460 274 L N 0.322 121.517 121.223 -0.048 0.000 2.021 274 L HA -0.262 4.078 4.340 -0.000 0.000 0.215 274 L C 2.533 179.244 176.870 -0.266 0.000 1.074 274 L CA 1.653 56.287 54.840 -0.343 0.000 0.760 274 L CB -0.440 41.407 42.059 -0.354 0.000 0.889 274 L HN 0.052 nan 8.230 nan 0.000 0.433 275 A N -0.460 122.208 122.820 -0.254 0.000 1.872 275 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 275 A C 2.318 179.911 177.584 0.014 0.000 1.187 275 A CA 1.730 53.665 52.037 -0.170 0.000 0.614 275 A CB -0.708 18.212 19.000 -0.132 0.000 0.826 275 A HN 0.430 nan 8.150 nan 0.000 0.442 276 E N -0.517 119.750 120.200 0.111 0.000 2.318 276 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 276 E C 1.600 178.276 176.600 0.126 0.000 0.998 276 E CA 1.027 57.509 56.400 0.138 0.000 0.859 276 E CB -0.368 29.437 29.700 0.174 0.000 0.812 276 E HN 0.627 nan 8.360 nan 0.000 0.492 277 N N -1.976 116.805 118.700 0.135 0.000 2.612 277 N HA 0.067 4.807 4.740 -0.000 0.000 0.224 277 N C 1.203 176.876 175.510 0.271 0.000 1.051 277 N CA 0.426 53.598 53.050 0.203 0.000 0.889 277 N CB 0.018 38.654 38.487 0.249 0.000 1.449 277 N HN 0.344 nan 8.380 nan 0.000 0.442 278 Y N 2.307 122.546 120.300 -0.102 0.000 2.519 278 Y HA 0.001 4.551 4.550 -0.000 0.000 0.287 278 Y C 0.203 175.860 175.900 -0.405 0.000 1.128 278 Y CA 0.706 58.572 58.100 -0.391 0.000 1.282 278 Y CB 0.334 38.242 38.460 -0.921 0.000 1.027 278 Y HN -0.188 nan 8.280 nan 0.000 0.551 279 R N -1.066 119.357 120.500 -0.129 0.000 3.332 279 R HA -0.115 4.225 4.340 -0.000 0.000 0.263 279 R C 0.288 176.401 176.300 -0.312 0.000 1.053 279 R CA 0.652 56.680 56.100 -0.120 0.000 0.705 279 R CB -3.511 26.818 30.300 0.048 0.000 1.166 279 R HN 0.600 nan 8.270 nan 0.000 0.427 280 V N -4.258 115.348 119.914 -0.513 0.000 3.166 280 V HA 0.551 4.671 4.120 -0.000 0.000 0.332 280 V C 0.680 176.261 176.094 -0.854 0.000 1.434 280 V CA 0.496 62.156 62.300 -1.066 0.000 1.121 280 V CB 1.476 32.807 31.823 -0.820 0.000 1.062 280 V HN 0.448 nan 8.190 nan 0.000 0.489 281 S N 0.390 115.807 115.700 -0.472 0.000 2.647 281 S HA 0.860 5.330 4.470 -0.000 0.000 0.284 281 S C 0.084 174.597 174.600 -0.144 0.000 1.134 281 S CA 0.376 58.419 58.200 -0.261 0.000 1.027 281 S CB 1.591 64.657 63.200 -0.223 0.000 1.180 281 S HN 1.531 nan 8.310 nan 0.000 0.521 282 C N -1.334 117.971 119.300 0.008 0.000 3.306 282 C HA 0.599 5.059 4.460 -0.000 0.000 0.335 282 C C 1.361 176.439 174.990 0.147 0.000 1.382 282 C CA -0.022 59.040 59.018 0.074 0.000 1.254 282 C CB 0.448 28.221 27.740 0.056 0.000 1.555 282 C HN 0.761 nan 8.230 nan 0.000 0.463 283 E N 0.807 121.109 120.200 0.170 0.000 2.164 283 E HA -0.255 4.095 4.350 -0.000 0.000 0.206 283 E C 1.836 178.600 176.600 0.272 0.000 1.032 283 E CA 2.750 59.301 56.400 0.253 0.000 0.832 283 E CB -0.160 29.707 29.700 0.279 0.000 0.742 283 E HN 0.894 nan 8.360 nan 0.000 0.460 284 E N -0.089 120.149 120.200 0.064 0.000 2.140 284 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 284 E C 2.536 179.320 176.600 0.307 0.000 0.973 284 E CA 0.664 57.064 56.400 0.001 0.000 0.829 284 E CB -0.800 28.652 29.700 -0.414 0.000 0.781 284 E HN 0.446 nan 8.360 nan 0.000 0.466 285 L N 1.491 122.837 121.223 0.205 0.000 2.012 285 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 285 L C 2.014 179.027 176.870 0.239 0.000 1.073 285 L CA 1.709 56.675 54.840 0.211 0.000 0.748 285 L CB -0.484 41.676 42.059 0.168 0.000 0.891 285 L HN 0.009 nan 8.230 nan 0.000 0.431 286 D N -0.510 120.067 120.400 0.294 0.000 2.182 286 D HA -0.226 4.414 4.640 -0.000 0.000 0.201 286 D C 1.850 178.357 176.300 0.344 0.000 0.986 286 D CA 1.178 55.377 54.000 0.331 0.000 0.847 286 D CB -0.205 40.898 40.800 0.504 0.000 0.942 286 D HN 0.257 nan 8.370 nan 0.000 0.467 287 F N 0.200 120.316 119.950 0.277 0.000 2.163 287 F HA -0.100 4.427 4.527 -0.000 0.000 0.297 287 F C 2.035 177.931 175.800 0.161 0.000 1.094 287 F CA 0.676 58.840 58.000 0.273 0.000 1.290 287 F CB -0.270 38.998 39.000 0.446 0.000 1.017 287 F HN -0.123 nan 8.300 nan 0.000 0.483 288 F N 0.516 120.566 119.950 0.167 0.000 2.069 288 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 288 F C 2.102 177.746 175.800 -0.260 0.000 1.113 288 F CA 2.143 60.027 58.000 -0.193 0.000 1.214 288 F CB -0.967 37.817 39.000 -0.360 0.000 0.978 288 F HN -0.153 nan 8.300 nan 0.000 0.474 289 V N 0.377 120.127 119.914 -0.274 0.000 2.261 289 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 289 V C 2.481 178.390 176.094 -0.307 0.000 1.047 289 V CA 2.311 64.371 62.300 -0.401 0.000 1.015 289 V CB -1.089 30.404 31.823 -0.550 0.000 0.642 289 V HN 0.252 nan 8.190 nan 0.000 0.446 290 K N -0.700 119.622 120.400 -0.131 0.000 2.089 290 K HA -0.271 4.049 4.320 -0.000 0.000 0.210 290 K C 2.181 178.608 176.600 -0.288 0.000 1.048 290 K CA 1.880 58.104 56.287 -0.105 0.000 0.926 290 K CB -0.494 31.966 32.500 -0.066 0.000 0.714 290 K HN 0.466 nan 8.250 nan 0.000 0.448 291 K N 0.066 120.176 120.400 -0.483 0.000 2.044 291 K HA 0.252 4.572 4.320 -0.000 0.000 0.204 291 K C 1.275 177.616 176.600 -0.431 0.000 1.049 291 K CA 0.884 56.880 56.287 -0.485 0.000 0.945 291 K CB -0.674 31.481 32.500 -0.574 0.000 0.724 291 K HN 0.395 nan 8.250 nan 0.000 0.440 295 L N 0.570 121.702 121.223 -0.151 0.000 2.628 295 L HA 0.351 4.691 4.340 -0.000 0.000 0.229 295 L C 1.075 177.863 176.870 -0.137 0.000 1.137 295 L CA 0.716 55.476 54.840 -0.133 0.000 0.909 295 L CB 0.656 42.630 42.059 -0.142 0.000 1.137 295 L HN 0.377 nan 8.230 nan 0.000 0.470 296 G N 0.210 108.922 108.800 -0.147 0.000 2.134 296 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.209 296 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.209 296 G C 0.396 175.158 174.900 -0.230 0.000 0.993 296 G CA -0.128 44.872 45.100 -0.167 0.000 0.669 296 G HN 0.456 nan 8.290 nan 0.000 0.519 297 A N -0.784 121.922 122.820 -0.190 0.000 2.507 297 A HA 0.603 4.923 4.320 -0.000 0.000 0.235 297 A C 1.079 178.572 177.584 -0.151 0.000 1.070 297 A CA 0.936 52.872 52.037 -0.168 0.000 0.768 297 A CB 0.247 19.193 19.000 -0.089 0.000 1.011 297 A HN 0.614 nan 8.150 nan 0.000 0.502 298 Y N 1.671 121.972 120.300 0.003 0.000 2.114 298 Y HA 0.175 4.725 4.550 -0.000 0.000 0.284 298 Y C 1.737 177.647 175.900 0.017 0.000 1.143 298 Y CA 1.605 59.711 58.100 0.010 0.000 1.135 298 Y CB -0.156 38.316 38.460 0.019 0.000 0.980 298 Y HN 0.814 nan 8.280 nan 0.000 0.499 299 G N -1.721 107.198 108.800 0.200 0.000 2.649 299 G HA2 0.699 4.659 3.960 -0.000 0.000 0.290 299 G HA3 0.699 4.659 3.960 -0.000 0.000 0.290 299 G C -1.981 172.968 174.900 0.081 0.000 1.426 299 G CA -0.196 44.971 45.100 0.112 0.000 0.794 299 G HN 0.293 nan 8.290 nan 0.000 0.483 300 A N -0.270 122.568 122.820 0.030 0.000 2.606 300 A HA 0.989 5.309 4.320 -0.000 0.000 0.293 300 A C -0.677 176.876 177.584 -0.052 0.000 1.082 300 A CA -0.630 51.420 52.037 0.022 0.000 0.685 300 A CB 2.244 21.220 19.000 -0.041 0.000 1.284 300 A HN 1.121 nan 8.150 nan 0.000 0.408 301 R N 0.331 120.822 120.500 -0.015 0.000 2.725 301 R HA 0.417 4.757 4.340 -0.000 0.000 0.254 301 R C -1.415 174.925 176.300 0.066 0.000 1.076 301 R CA -0.750 55.348 56.100 -0.003 0.000 0.940 301 R CB 0.793 31.138 30.300 0.075 0.000 1.260 301 R HN 1.264 nan 8.270 nan 0.000 0.466 302 L N 0.480 121.824 121.223 0.202 0.000 2.482 302 L HA 0.537 4.877 4.340 -0.000 0.000 0.273 302 L C -0.077 176.840 176.870 0.077 0.000 1.228 302 L CA 0.473 55.387 54.840 0.123 0.000 0.827 302 L CB 0.812 42.957 42.059 0.144 0.000 1.099 302 L HN 0.581 nan 8.230 nan 0.000 0.494 303 T N 0.848 115.426 114.554 0.040 0.000 2.906 303 T HA 0.704 5.054 4.350 -0.000 0.000 0.295 303 T C 0.072 174.780 174.700 0.013 0.000 1.061 303 T CA 0.373 62.487 62.100 0.024 0.000 1.000 303 T CB 0.789 69.661 68.868 0.007 0.000 1.103 303 T HN 1.732 nan 8.240 nan 0.000 0.486 304 G N 2.045 110.844 108.800 -0.002 0.000 2.562 304 G HA2 0.002 3.962 3.960 -0.000 0.000 0.250 304 G HA3 0.002 3.962 3.960 -0.000 0.000 0.250 304 G C 1.069 175.981 174.900 0.020 0.000 1.269 304 G CA 0.251 45.342 45.100 -0.015 0.000 0.919 304 G HN 1.497 nan 8.290 nan 0.000 0.574 305 A N -0.815 122.041 122.820 0.061 0.000 1.929 305 A HA 0.574 4.894 4.320 -0.000 0.000 0.216 305 A C 2.522 180.312 177.584 0.344 0.000 1.176 305 A CA 2.545 54.725 52.037 0.239 0.000 0.628 305 A CB -0.794 18.346 19.000 0.233 0.000 0.816 305 A HN 3.011 nan 8.150 nan 0.000 0.444 306 G N -2.878 106.019 108.800 0.162 0.000 2.500 306 G HA2 0.097 4.057 3.960 -0.000 0.000 0.209 306 G HA3 0.097 4.057 3.960 -0.000 0.000 0.209 306 G C 0.144 175.116 174.900 0.120 0.000 1.283 306 G CA -0.337 44.774 45.100 0.019 0.000 0.960 306 G HN 1.063 nan 8.290 nan 0.000 0.528 307 F N -0.320 119.650 119.950 0.033 0.000 3.091 307 F HA 0.086 4.613 4.527 -0.000 0.000 0.288 307 F C 1.813 177.595 175.800 -0.030 0.000 0.907 307 F CA 2.381 60.383 58.000 0.003 0.000 1.028 307 F CB -1.299 37.706 39.000 0.009 0.000 1.022 307 F HN 2.430 nan 8.300 nan 0.000 0.665 308 G N -1.623 107.220 108.800 0.073 0.000 2.352 308 G HA2 0.534 4.494 3.960 -0.000 0.000 0.324 308 G HA3 0.534 4.494 3.960 -0.000 0.000 0.324 308 G C 0.438 175.370 174.900 0.052 0.000 1.249 308 G CA 0.201 45.305 45.100 0.006 0.000 1.053 308 G HN 1.942 nan 8.290 nan 0.000 0.492 309 G N -1.483 107.376 108.800 0.098 0.000 2.512 309 G HA2 0.307 4.267 3.960 -0.000 0.000 0.240 309 G HA3 0.307 4.267 3.960 -0.000 0.000 0.240 309 G C 0.303 175.325 174.900 0.205 0.000 1.246 309 G CA 0.797 45.998 45.100 0.169 0.000 0.919 309 G HN 2.240 nan 8.290 nan 0.000 0.577 310 S N -0.497 115.275 115.700 0.120 0.000 2.689 310 S HA 0.930 5.400 4.470 -0.000 0.000 0.306 310 S C 0.344 174.939 174.600 -0.008 0.000 1.104 310 S CA 0.344 58.594 58.200 0.084 0.000 0.973 310 S CB 1.742 64.983 63.200 0.068 0.000 1.121 310 S HN 2.063 nan 8.310 nan 0.000 0.523 311 A N 0.918 123.670 122.820 -0.114 0.000 2.479 311 A HA 0.900 5.220 4.320 -0.000 0.000 0.296 311 A C -0.827 176.672 177.584 -0.142 0.000 1.121 311 A CA -0.928 51.019 52.037 -0.149 0.000 0.743 311 A CB 0.814 19.666 19.000 -0.246 0.000 1.323 311 A HN 0.893 nan 8.150 nan 0.000 0.415 312 I N -2.224 118.354 120.570 0.013 0.000 2.797 312 I HA 0.936 5.106 4.170 -0.000 0.000 0.307 312 I C -0.172 176.105 176.117 0.267 0.000 1.033 312 I CA -1.011 60.354 61.300 0.108 0.000 1.071 312 I CB 2.162 40.208 38.000 0.077 0.000 1.255 312 I HN 0.825 nan 8.210 nan 0.000 0.445 313 A N 5.320 128.315 122.820 0.291 0.000 2.498 313 A HA 0.820 5.140 4.320 -0.000 0.000 0.298 313 A C -1.107 176.601 177.584 0.207 0.000 1.075 313 A CA -0.752 51.426 52.037 0.234 0.000 0.714 313 A CB 1.722 20.840 19.000 0.197 0.000 1.299 313 A HN 0.754 nan 8.150 nan 0.000 0.407 314 L N 1.358 122.713 121.223 0.220 0.000 2.317 314 L HA 0.823 5.163 4.340 -0.000 0.000 0.281 314 L C -0.772 176.316 176.870 0.364 0.000 1.024 314 L CA -0.844 54.181 54.840 0.308 0.000 0.810 314 L CB 1.546 43.800 42.059 0.325 0.000 1.240 314 L HN 0.491 nan 8.230 nan 0.000 0.427 315 V N 1.102 121.242 119.914 0.377 0.000 3.167 315 V HA 0.187 4.307 4.120 -0.000 0.000 0.293 315 V C -1.261 174.991 176.094 0.264 0.000 1.379 315 V CA -0.908 61.525 62.300 0.220 0.000 1.019 315 V CB 3.025 34.917 31.823 0.114 0.000 1.115 315 V HN 0.656 nan 8.190 nan 0.000 0.442 316 D N 2.406 122.912 120.400 0.177 0.000 2.424 316 D HA 0.136 4.776 4.640 -0.000 0.000 0.244 316 D C 0.888 177.262 176.300 0.122 0.000 1.134 316 D CA 0.038 54.139 54.000 0.169 0.000 0.881 316 D CB 1.465 42.329 40.800 0.107 0.000 1.191 316 D HN 0.551 nan 8.370 nan 0.000 0.445 317 K N 1.454 121.928 120.400 0.123 0.000 2.113 317 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 317 K C 0.607 177.258 176.600 0.086 0.000 1.047 317 K CA 1.540 57.893 56.287 0.109 0.000 0.928 317 K CB 0.238 32.798 32.500 0.101 0.000 0.716 317 K HN 0.381 nan 8.250 nan 0.000 0.446 318 D N -0.905 119.537 120.400 0.070 0.000 2.348 318 D HA -0.055 4.585 4.640 -0.000 0.000 0.211 318 D C 1.196 177.523 176.300 0.044 0.000 0.998 318 D CA 0.386 54.419 54.000 0.054 0.000 0.873 318 D CB 0.226 41.052 40.800 0.044 0.000 0.925 318 D HN -0.028 nan 8.370 nan 0.000 0.524 319 K N -0.052 120.373 120.400 0.041 0.000 2.367 319 K HA 0.416 4.736 4.320 -0.000 0.000 0.194 319 K C 2.037 178.651 176.600 0.023 0.000 1.027 319 K CA 0.495 56.793 56.287 0.019 0.000 1.075 319 K CB 0.270 32.766 32.500 -0.006 0.000 0.845 319 K HN 0.351 nan 8.250 nan 0.000 0.529 320 A N 1.743 124.593 122.820 0.050 0.000 1.873 320 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 320 A C 2.188 179.796 177.584 0.041 0.000 1.186 320 A CA 1.856 53.925 52.037 0.054 0.000 0.616 320 A CB -0.434 18.627 19.000 0.101 0.000 0.823 320 A HN 0.401 nan 8.150 nan 0.000 0.442 321 K N -0.831 119.626 120.400 0.096 0.000 2.063 321 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 321 K C 1.964 178.612 176.600 0.080 0.000 1.048 321 K CA 1.906 58.283 56.287 0.151 0.000 0.928 321 K CB -0.307 32.284 32.500 0.152 0.000 0.713 321 K HN 0.468 nan 8.250 nan 0.000 0.442 322 T N 1.399 115.976 114.554 0.038 0.000 2.777 322 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 322 T C 1.865 176.549 174.700 -0.027 0.000 1.040 322 T CA 1.345 63.455 62.100 0.017 0.000 1.141 322 T CB -0.100 68.775 68.868 0.011 0.000 0.868 322 T HN 0.177 nan 8.240 nan 0.000 0.444 323 I N 1.198 121.731 120.570 -0.060 0.000 2.142 323 I HA -0.087 4.083 4.170 -0.000 0.000 0.240 323 I C 2.952 178.971 176.117 -0.163 0.000 1.078 323 I CA 1.352 62.592 61.300 -0.099 0.000 1.343 323 I CB -0.807 37.134 38.000 -0.098 0.000 1.046 323 I HN 0.305 nan 8.210 nan 0.000 0.405 324 G N 0.406 109.010 108.800 -0.328 0.000 2.440 324 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 324 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 324 G C 1.258 175.865 174.900 -0.490 0.000 1.154 324 G CA 1.122 45.714 45.100 -0.848 0.000 0.767 324 G HN 0.293 nan 8.290 nan 0.000 0.552 325 D N 0.724 121.072 120.400 -0.088 0.000 2.178 325 D HA 0.032 4.672 4.640 -0.000 0.000 0.202 325 D C 2.743 179.118 176.300 0.125 0.000 0.974 325 D CA 1.072 55.179 54.000 0.179 0.000 0.841 325 D CB -0.276 40.625 40.800 0.168 0.000 0.953 325 D HN 0.329 nan 8.370 nan 0.000 0.478 326 A N 0.230 123.079 122.820 0.049 0.000 1.929 326 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 326 A C 2.286 179.921 177.584 0.086 0.000 1.176 326 A CA 0.554 52.623 52.037 0.052 0.000 0.628 326 A CB -0.394 18.607 19.000 0.001 0.000 0.816 326 A HN 0.159 nan 8.150 nan 0.000 0.444 327 I N -0.658 119.956 120.570 0.075 0.000 2.333 327 I HA -0.154 4.016 4.170 -0.000 0.000 0.246 327 I C 2.411 178.745 176.117 0.362 0.000 1.106 327 I CA 0.599 61.975 61.300 0.127 0.000 1.411 327 I CB -0.225 37.779 38.000 0.007 0.000 1.082 327 I HN 0.290 nan 8.210 nan 0.000 0.420 328 L N 1.060 122.544 121.223 0.433 0.000 2.013 328 L HA -0.350 3.990 4.340 -0.000 0.000 0.212 328 L C 3.276 180.383 176.870 0.394 0.000 1.073 328 L CA 2.414 57.554 54.840 0.499 0.000 0.753 328 L CB -0.571 41.739 42.059 0.418 0.000 0.890 328 L HN 0.281 nan 8.230 nan 0.000 0.432 329 R N -0.185 120.482 120.500 0.277 0.000 2.092 329 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 329 R C 2.101 178.531 176.300 0.217 0.000 1.119 329 R CA 1.759 57.983 56.100 0.207 0.000 0.970 329 R CB -1.753 28.632 30.300 0.141 0.000 0.864 329 R HN 0.633 nan 8.270 nan 0.000 0.440 330 E N -0.476 119.879 120.200 0.258 0.000 2.028 330 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 330 E C 1.922 178.736 176.600 0.358 0.000 0.984 330 E CA 1.211 57.782 56.400 0.285 0.000 0.800 330 E CB -0.985 28.892 29.700 0.295 0.000 0.758 330 E HN 0.819 nan 8.360 nan 0.000 0.448 331 Y N 0.296 120.842 120.300 0.410 0.000 2.114 331 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 331 Y C 2.257 178.298 175.900 0.235 0.000 1.165 331 Y CA 1.889 60.223 58.100 0.390 0.000 1.148 331 Y CB -0.174 38.663 38.460 0.629 0.000 0.972 331 Y HN 0.246 nan 8.280 nan 0.000 0.504 332 L N 0.008 121.508 121.223 0.460 0.000 2.275 332 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 332 L C 2.445 179.356 176.870 0.068 0.000 1.119 332 L CA 1.746 56.761 54.840 0.291 0.000 0.790 332 L CB -1.523 40.692 42.059 0.260 0.000 0.919 332 L HN 0.400 nan 8.230 nan 0.000 0.443 333 A N -1.532 121.301 122.820 0.021 0.000 2.123 333 A HA -0.128 4.192 4.320 -0.000 0.000 0.214 333 A C 2.381 179.827 177.584 -0.230 0.000 1.152 333 A CA 1.104 53.100 52.037 -0.067 0.000 0.728 333 A CB -0.194 18.794 19.000 -0.019 0.000 0.814 333 A HN 0.359 nan 8.150 nan 0.000 0.464 334 K N -1.753 118.376 120.400 -0.452 0.000 2.202 334 K HA 0.217 4.537 4.320 -0.000 0.000 0.201 334 K C -0.573 175.482 176.600 -0.907 0.000 1.051 334 K CA 0.353 56.128 56.287 -0.854 0.000 0.977 334 K CB 0.066 31.654 32.500 -1.520 0.000 0.792 334 K HN 0.361 nan 8.250 nan 0.000 0.469 335 F N -0.205 119.481 119.950 -0.440 0.000 2.546 335 F HA 0.181 4.708 4.527 -0.000 0.000 0.320 335 F C 1.081 176.665 175.800 -0.359 0.000 1.076 335 F CA -1.021 56.699 58.000 -0.467 0.000 0.928 335 F CB 2.089 40.741 39.000 -0.580 0.000 1.189 335 F HN -0.069 nan 8.300 nan 0.000 0.465 336 S N -0.144 115.366 115.700 -0.317 0.000 2.548 336 S HA 0.059 4.529 4.470 -0.000 0.000 0.215 336 S C -0.002 174.500 174.600 -0.163 0.000 0.976 336 S CA -0.625 57.415 58.200 -0.266 0.000 0.908 336 S CB -0.430 62.561 63.200 -0.348 0.000 0.781 336 S HN 0.531 nan 8.310 nan 0.000 0.519 337 W N 2.411 123.778 121.300 0.111 0.000 2.160 337 W HA 0.187 4.847 4.660 0.000 0.000 0.352 337 W C 0.700 177.266 176.519 0.079 0.000 1.288 337 W CA -0.914 56.478 57.345 0.079 0.000 1.279 337 W CB 0.356 29.854 29.460 0.064 0.000 1.181 337 W HN -0.167 nan 8.180 nan 0.000 0.593 338 K N 1.957 122.527 120.400 0.283 0.000 2.187 338 K HA 0.489 4.809 4.320 -0.000 0.000 0.242 338 K C 0.226 176.831 176.600 0.007 0.000 1.179 338 K CA -0.453 55.913 56.287 0.131 0.000 1.097 338 K CB -0.502 32.069 32.500 0.119 0.000 1.634 338 K HN 0.483 nan 8.250 nan 0.000 0.335 339 A N 1.455 124.275 122.820 -0.000 0.000 2.340 339 A HA 0.731 5.051 4.320 -0.000 0.000 0.268 339 A C 0.513 177.903 177.584 -0.322 0.000 1.100 339 A CA -0.382 51.481 52.037 -0.290 0.000 0.803 339 A CB 0.487 19.279 19.000 -0.346 0.000 1.043 339 A HN 0.682 nan 8.150 nan 0.000 0.488 340 K N 0.420 120.523 120.400 -0.496 0.000 2.502 340 K HA 0.669 4.989 4.320 -0.000 0.000 0.257 340 K C -1.095 175.052 176.600 -0.755 0.000 0.938 340 K CA -0.282 55.690 56.287 -0.525 0.000 0.819 340 K CB 1.372 33.657 32.500 -0.358 0.000 1.333 340 K HN 1.685 nan 8.250 nan 0.000 0.434 341 Y N -0.499 119.309 120.300 -0.820 0.000 2.524 341 Y HA 0.892 5.442 4.550 -0.000 0.000 0.344 341 Y C -1.220 174.222 175.900 -0.764 0.000 1.012 341 Y CA -2.470 55.254 58.100 -0.626 0.000 1.068 341 Y CB 1.469 39.813 38.460 -0.193 0.000 1.249 341 Y HN 0.455 nan 8.280 nan 0.000 0.468 342 F N 1.494 121.566 119.950 0.204 0.000 2.578 342 F HA 0.618 5.144 4.527 0.000 0.000 0.311 342 F C -0.982 174.948 175.800 0.216 0.000 1.094 342 F CA -1.359 56.695 58.000 0.089 0.000 0.923 342 F CB 2.295 41.285 39.000 -0.016 0.000 1.230 342 F HN 0.372 nan 8.300 nan 0.000 0.450 343 V N 3.889 124.014 119.914 0.352 0.000 2.370 343 V HA 0.515 4.635 4.120 -0.000 0.000 0.279 343 V C -0.453 175.748 176.094 0.178 0.000 1.029 343 V CA -0.626 61.830 62.300 0.260 0.000 0.870 343 V CB 1.428 33.392 31.823 0.234 0.000 0.984 343 V HN 0.582 nan 8.190 nan 0.000 0.451 344 V N 4.639 124.629 119.914 0.127 0.000 2.680 344 V HA 0.816 4.936 4.120 -0.000 0.000 0.309 344 V C 0.231 176.335 176.094 0.018 0.000 1.052 344 V CA -0.570 61.758 62.300 0.048 0.000 0.908 344 V CB 2.140 33.971 31.823 0.013 0.000 1.001 344 V HN 0.945 nan 8.190 nan 0.000 0.431 345 K N 5.559 125.956 120.400 -0.005 0.000 2.244 345 K HA 0.808 5.128 4.320 -0.000 0.000 0.260 345 K C -2.962 173.608 176.600 -0.050 0.000 0.951 345 K CA -1.999 54.288 56.287 -0.001 0.000 0.826 345 K CB 1.355 33.874 32.500 0.032 0.000 1.108 345 K HN 0.553 nan 8.250 nan 0.000 0.433 346 P HA 0.104 nan 4.420 nan 0.000 0.263 346 P C -0.316 176.958 177.300 -0.044 0.000 1.195 346 P CA 0.135 63.180 63.100 -0.092 0.000 0.762 346 P CB 1.044 32.689 31.700 -0.091 0.000 0.799 347 S N 2.402 118.072 115.700 -0.051 0.000 2.715 347 S HA 0.475 4.945 4.470 -0.000 0.000 0.307 347 S C -0.570 174.024 174.600 -0.010 0.000 1.119 347 S CA -0.806 57.384 58.200 -0.017 0.000 0.937 347 S CB 1.071 64.261 63.200 -0.017 0.000 1.150 347 S HN 0.144 nan 8.310 nan 0.000 0.521 348 D N 0.885 121.295 120.400 0.018 0.000 2.313 348 D HA 0.490 5.130 4.640 -0.000 0.000 0.247 348 D C 0.776 177.087 176.300 0.018 0.000 1.094 348 D CA 0.277 54.278 54.000 0.001 0.000 0.925 348 D CB 1.058 41.858 40.800 0.001 0.000 1.188 348 D HN 0.725 nan 8.370 nan 0.000 0.430 349 G N -0.284 108.507 108.800 -0.015 0.000 2.611 349 G HA2 0.342 4.302 3.960 -0.000 0.000 0.273 349 G HA3 0.342 4.302 3.960 -0.000 0.000 0.273 349 G C -0.004 174.876 174.900 -0.033 0.000 1.305 349 G CA -0.623 44.454 45.100 -0.038 0.000 1.010 349 G HN 0.375 nan 8.290 nan 0.000 0.509 350 V N -0.641 119.239 119.914 -0.057 0.000 2.752 350 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 350 V C 1.013 177.070 176.094 -0.061 0.000 1.099 350 V CA 0.403 62.679 62.300 -0.040 0.000 1.240 350 V CB -0.135 31.645 31.823 -0.071 0.000 0.887 350 V HN 1.389 nan 8.190 nan 0.000 0.499 351 G N 2.336 111.111 108.800 -0.043 0.000 2.489 351 G HA2 0.514 4.474 3.960 -0.000 0.000 0.305 351 G HA3 0.514 4.474 3.960 -0.000 0.000 0.305 351 G C -1.105 173.759 174.900 -0.060 0.000 1.311 351 G CA -0.282 44.783 45.100 -0.058 0.000 0.813 351 G HN 0.683 nan 8.290 nan 0.000 0.480 352 V N 0.000 119.877 119.914 -0.062 0.000 2.409 352 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 352 V CA 0.000 62.261 62.300 -0.064 0.000 1.235 352 V CB 0.000 31.789 31.823 -0.057 0.000 1.184 352 V HN 0.000 nan 8.190 nan 0.000 0.556