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 1v1a_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLEVVTAGEP LVALVPQEPG HLRGKRLLEV YVGGAEVNVA VALARLGVKV DATA SEQUENCE GFVGRVGEDE LGAMVEERLR AEGVDLTHFR RAPGFTGLYL REYLPLGQGR DATA SEQUENCE VFYYRKGSAG SALAPGAFDP DYLEGVRFLH LSGITPALSP EARAFSLWAM DATA SEQUENCE EEAKRRGVRV SLDVNYRQTL WSPEEARGFL ERALPGVDLL FLSEEEAELL DATA SEQUENCE FGRVEEALRA LSAPEVVLKR GAKGAWAFVD GRRVEGSAFA VEAVDPVGAG DATA SEQUENCE DAFAAGYLAG AVWGLPVEER LRLANLLGAS VAASRGDHEG APYREDLEVL DATA SEQUENCE LK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.318 176.300 0.029 0.000 1.140 1 M CA 0.000 55.325 55.300 0.041 0.000 0.988 1 M CB 0.000 32.620 32.600 0.033 0.000 1.302 2 L N 3.933 125.162 121.223 0.009 0.000 2.456 2 L HA 0.099 4.440 4.340 0.002 0.000 0.272 2 L C 0.776 177.632 176.870 -0.024 0.000 1.189 2 L CA 0.452 55.279 54.840 -0.021 0.000 0.846 2 L CB 0.548 42.549 42.059 -0.098 0.000 1.111 2 L HN 0.816 nan 8.230 nan 0.000 0.475 3 E N 1.589 121.785 120.200 -0.007 0.000 2.340 3 E HA 0.141 4.492 4.350 0.002 0.000 0.198 3 E C -0.556 176.070 176.600 0.043 0.000 0.961 3 E CA 0.189 56.602 56.400 0.022 0.000 0.905 3 E CB 0.907 30.620 29.700 0.022 0.000 0.884 3 E HN 0.365 nan 8.360 nan 0.000 0.491 4 V N 1.140 121.050 119.914 -0.007 0.000 2.971 4 V HA 0.336 4.457 4.120 0.002 0.000 0.309 4 V C -0.889 175.180 176.094 -0.043 0.000 1.130 4 V CA -0.964 61.342 62.300 0.009 0.000 0.964 4 V CB 2.554 34.351 31.823 -0.043 0.000 1.029 4 V HN -0.189 nan 8.190 nan 0.000 0.427 5 V N 2.585 122.478 119.914 -0.035 0.000 2.577 5 V HA 0.672 4.793 4.120 0.002 0.000 0.303 5 V C 0.042 176.139 176.094 0.005 0.000 1.042 5 V CA -0.371 61.874 62.300 -0.091 0.000 0.872 5 V CB 2.258 33.918 31.823 -0.271 0.000 0.998 5 V HN 1.076 nan 8.190 nan 0.000 0.423 6 T N 1.522 116.107 114.554 0.052 0.000 2.940 6 T HA 0.955 5.306 4.350 0.002 0.000 0.288 6 T C -0.404 174.275 174.700 -0.035 0.000 1.033 6 T CA -0.524 61.658 62.100 0.137 0.000 1.033 6 T CB 2.229 71.269 68.868 0.286 0.000 1.079 6 T HN 1.435 nan 8.240 nan 0.000 0.496 7 A N 0.178 122.988 122.820 -0.018 0.000 2.555 7 A HA 0.925 5.246 4.320 0.002 0.000 0.297 7 A C -0.059 177.513 177.584 -0.020 0.000 1.060 7 A CA -0.156 51.732 52.037 -0.249 0.000 0.710 7 A CB 1.153 20.092 19.000 -0.101 0.000 1.282 7 A HN 1.893 nan 8.150 nan 0.000 0.399 8 G N 0.230 108.988 108.800 -0.070 0.000 2.392 8 G HA2 0.484 4.445 3.960 0.002 0.000 0.260 8 G HA3 0.484 4.445 3.960 0.002 0.000 0.260 8 G C -1.236 173.748 174.900 0.140 0.000 1.226 8 G CA 0.049 45.190 45.100 0.069 0.000 0.913 8 G HN 1.092 nan 8.290 nan 0.000 0.483 9 E N 1.015 121.287 120.200 0.120 0.000 2.115 9 E HA 0.597 4.948 4.350 0.002 0.000 0.282 9 E C -2.394 174.311 176.600 0.174 0.000 0.987 9 E CA -1.567 54.905 56.400 0.120 0.000 0.797 9 E CB 1.544 31.249 29.700 0.009 0.000 1.086 9 E HN 0.122 nan 8.360 nan 0.000 0.397 10 P HA 0.200 nan 4.420 nan 0.000 0.274 10 P C -0.968 176.415 177.300 0.138 0.000 1.237 10 P CA -0.166 63.010 63.100 0.127 0.000 0.793 10 P CB 0.675 32.478 31.700 0.171 0.000 0.977 11 L N 0.459 121.765 121.223 0.139 0.000 2.469 11 L HA 0.491 4.832 4.340 0.002 0.000 0.256 11 L C -1.035 175.985 176.870 0.250 0.000 1.006 11 L CA -1.195 53.781 54.840 0.226 0.000 0.832 11 L CB 2.431 44.646 42.059 0.260 0.000 1.421 11 L HN -0.015 nan 8.230 nan 0.000 0.410 12 V N 1.440 121.519 119.914 0.276 0.000 2.384 12 V HA 0.643 4.764 4.120 0.002 0.000 0.287 12 V C 0.098 176.288 176.094 0.160 0.000 1.020 12 V CA -0.485 61.930 62.300 0.192 0.000 0.850 12 V CB 1.609 33.509 31.823 0.129 0.000 0.987 12 V HN 0.796 nan 8.190 nan 0.000 0.436 13 A N 6.607 129.453 122.820 0.042 0.000 2.301 13 A HA 0.856 5.178 4.320 0.002 0.000 0.312 13 A C -0.702 176.782 177.584 -0.166 0.000 1.182 13 A CA -0.482 51.360 52.037 -0.325 0.000 0.826 13 A CB 0.538 19.358 19.000 -0.301 0.000 1.134 13 A HN 0.801 nan 8.150 nan 0.000 0.501 14 L N 3.008 124.089 121.223 -0.236 0.000 2.313 14 L HA 0.639 4.980 4.340 0.002 0.000 0.283 14 L C -0.984 175.858 176.870 -0.047 0.000 1.013 14 L CA -0.847 53.934 54.840 -0.098 0.000 0.816 14 L CB 1.617 43.626 42.059 -0.084 0.000 1.236 14 L HN 0.440 nan 8.230 nan 0.000 0.419 15 V N 2.653 122.595 119.914 0.047 0.000 2.638 15 V HA 0.432 4.553 4.120 0.002 0.000 0.306 15 V C -2.439 173.751 176.094 0.160 0.000 1.052 15 V CA -2.080 60.302 62.300 0.137 0.000 0.885 15 V CB 2.020 33.966 31.823 0.204 0.000 0.999 15 V HN 0.549 nan 8.190 nan 0.000 0.424 16 P HA 0.195 nan 4.420 nan 0.000 0.269 16 P C 0.460 177.853 177.300 0.155 0.000 1.215 16 P CA -0.070 63.083 63.100 0.087 0.000 0.780 16 P CB 0.567 32.247 31.700 -0.033 0.000 0.898 17 Q N 0.473 120.321 119.800 0.081 0.000 2.291 17 Q HA -0.088 4.253 4.340 0.002 0.000 0.205 17 Q C 0.773 176.855 176.000 0.137 0.000 0.970 17 Q CA 1.038 56.908 55.803 0.111 0.000 0.876 17 Q CB 0.050 28.820 28.738 0.052 0.000 0.935 17 Q HN 0.585 nan 8.270 nan 0.000 0.455 18 E N -0.395 119.817 120.200 0.019 0.000 2.458 18 E HA 0.390 4.741 4.350 0.002 0.000 0.278 18 E C -3.018 173.273 176.600 -0.515 0.000 1.004 18 E CA -2.615 53.749 56.400 -0.061 0.000 0.823 18 E CB 0.840 30.522 29.700 -0.031 0.000 1.396 18 E HN -0.300 nan 8.360 nan 0.000 0.463 19 P HA 0.394 nan 4.420 nan 0.000 0.270 19 P C -0.132 176.921 177.300 -0.411 0.000 1.227 19 P CA 1.210 63.891 63.100 -0.698 0.000 0.788 19 P CB 0.315 31.867 31.700 -0.247 0.000 0.926 20 G N -0.599 107.980 108.800 -0.369 0.000 2.347 20 G HA2 0.010 3.971 3.960 0.002 0.000 0.477 20 G HA3 0.010 3.971 3.960 0.002 0.000 0.477 20 G C -1.697 173.067 174.900 -0.227 0.000 1.349 20 G CA -0.913 44.053 45.100 -0.223 0.000 1.000 20 G HN 0.549 nan 8.290 nan 0.000 0.605 21 H N -0.083 118.951 119.070 -0.060 0.000 2.722 21 H HA 0.358 4.915 4.556 0.002 0.000 0.328 21 H C 1.584 176.896 175.328 -0.027 0.000 1.067 21 H CA -0.000 56.037 56.048 -0.018 0.000 1.447 21 H CB 1.539 31.299 29.762 -0.004 0.000 1.469 21 H HN 0.496 nan 8.280 nan 0.000 0.544 22 L N 3.837 125.120 121.223 0.101 0.000 2.079 22 L HA -0.206 4.135 4.340 0.002 0.000 0.210 22 L C 2.470 179.350 176.870 0.017 0.000 1.081 22 L CA 1.656 56.523 54.840 0.044 0.000 0.752 22 L CB -0.477 41.615 42.059 0.056 0.000 0.896 22 L HN 0.740 nan 8.230 nan 0.000 0.433 23 R N -0.994 119.524 120.500 0.031 0.000 2.226 23 R HA -0.133 4.208 4.340 0.002 0.000 0.246 23 R C 1.752 178.045 176.300 -0.012 0.000 1.161 23 R CA 1.542 57.636 56.100 -0.010 0.000 0.997 23 R CB -1.150 29.142 30.300 -0.015 0.000 0.870 23 R HN 0.453 nan 8.270 nan 0.000 0.465 24 G N 0.805 109.610 108.800 0.008 0.000 2.986 24 G HA2 0.047 4.008 3.960 0.002 0.000 0.213 24 G HA3 0.047 4.008 3.960 0.002 0.000 0.213 24 G C -0.130 174.762 174.900 -0.014 0.000 1.156 24 G CA -0.475 44.623 45.100 -0.005 0.000 0.763 24 G HN 0.028 nan 8.290 nan 0.000 0.547 25 K N 0.937 121.326 120.400 -0.017 0.000 2.350 25 K HA 0.291 4.612 4.320 0.002 0.000 0.279 25 K C 0.575 177.158 176.600 -0.029 0.000 1.027 25 K CA -0.287 55.985 56.287 -0.026 0.000 0.969 25 K CB 1.268 33.752 32.500 -0.027 0.000 0.954 25 K HN 0.015 nan 8.250 nan 0.000 0.474 26 R N 1.310 121.793 120.500 -0.028 0.000 2.373 26 R HA 0.304 4.645 4.340 0.002 0.000 0.221 26 R C 0.383 176.664 176.300 -0.033 0.000 0.893 26 R CA 0.003 56.084 56.100 -0.030 0.000 1.049 26 R CB 0.297 30.581 30.300 -0.027 0.000 1.119 26 R HN 0.434 nan 8.270 nan 0.000 0.535 27 L N 1.051 122.256 121.223 -0.030 0.000 2.388 27 L HA 0.555 4.896 4.340 0.002 0.000 0.264 27 L C -1.184 175.668 176.870 -0.029 0.000 0.998 27 L CA -0.832 53.989 54.840 -0.032 0.000 0.817 27 L CB 2.608 44.651 42.059 -0.027 0.000 1.338 27 L HN -0.161 nan 8.230 nan 0.000 0.414 28 L N 2.242 123.441 121.223 -0.040 0.000 2.410 28 L HA 0.441 4.782 4.340 0.002 0.000 0.270 28 L C -0.600 176.231 176.870 -0.066 0.000 0.983 28 L CA -0.613 54.205 54.840 -0.037 0.000 0.822 28 L CB 2.471 44.501 42.059 -0.047 0.000 1.285 28 L HN 0.546 nan 8.230 nan 0.000 0.409 29 E N 1.789 121.954 120.200 -0.058 0.000 2.331 29 E HA 0.344 4.695 4.350 0.002 0.000 0.272 29 E C -1.020 175.412 176.600 -0.279 0.000 1.036 29 E CA -0.505 55.785 56.400 -0.184 0.000 0.864 29 E CB 2.004 31.635 29.700 -0.116 0.000 1.035 29 E HN 0.209 nan 8.360 nan 0.000 0.408 30 V N 4.125 123.776 119.914 -0.437 0.000 2.370 30 V HA 0.316 4.437 4.120 0.002 0.000 0.283 30 V C -0.897 174.882 176.094 -0.526 0.000 1.023 30 V CA -0.617 61.481 62.300 -0.337 0.000 0.857 30 V CB -0.070 31.628 31.823 -0.208 0.000 0.985 30 V HN 0.545 nan 8.190 nan 0.000 0.443 31 Y N 2.094 122.355 120.300 -0.065 0.000 2.576 31 Y HA 0.620 5.171 4.550 0.002 0.000 0.346 31 Y C -0.063 175.824 175.900 -0.023 0.000 1.018 31 Y CA -1.109 56.950 58.100 -0.070 0.000 1.050 31 Y CB 2.193 40.589 38.460 -0.106 0.000 1.280 31 Y HN 0.337 nan 8.280 nan 0.000 0.474 32 V N 2.573 122.594 119.914 0.178 0.000 2.406 32 V HA 0.680 4.801 4.120 0.002 0.000 0.272 32 V C 0.342 176.573 176.094 0.228 0.000 1.043 32 V CA 0.096 62.496 62.300 0.167 0.000 0.915 32 V CB 0.513 32.428 31.823 0.154 0.000 0.988 32 V HN 0.975 nan 8.190 nan 0.000 0.466 33 G N 2.711 111.636 108.800 0.208 0.000 3.211 33 G HA2 0.797 4.758 3.960 0.002 0.000 0.167 33 G HA3 0.797 4.758 3.960 0.002 0.000 0.167 33 G C 0.024 174.989 174.900 0.109 0.000 1.212 33 G CA -0.551 44.681 45.100 0.220 0.000 0.928 33 G HN 1.531 nan 8.290 nan 0.000 0.607 34 G N -2.026 106.834 108.800 0.100 0.000 3.355 34 G HA2 0.408 4.369 3.960 0.002 0.000 0.686 34 G HA3 0.408 4.369 3.960 0.002 0.000 0.686 34 G C 0.766 175.669 174.900 0.004 0.000 1.097 34 G CA 0.477 45.594 45.100 0.028 0.000 0.881 34 G HN 1.736 nan 8.290 nan 0.000 0.550 35 A N 1.985 124.817 122.820 0.021 0.000 1.869 35 A HA -0.071 4.250 4.320 0.002 0.000 0.218 35 A C 2.145 179.762 177.584 0.054 0.000 1.203 35 A CA 2.619 54.677 52.037 0.035 0.000 0.638 35 A CB -0.399 18.626 19.000 0.043 0.000 0.831 35 A HN 1.009 nan 8.150 nan 0.000 0.450 36 E N -0.527 119.744 120.200 0.118 0.000 2.204 36 E HA -0.025 4.327 4.350 0.002 0.000 0.194 36 E C 1.855 178.493 176.600 0.064 0.000 0.989 36 E CA 0.913 57.448 56.400 0.225 0.000 0.824 36 E CB -0.348 29.590 29.700 0.396 0.000 0.756 36 E HN 0.377 nan 8.360 nan 0.000 0.477 37 V N 1.596 121.388 119.914 -0.203 0.000 2.379 37 V HA -0.234 3.887 4.120 0.002 0.000 0.245 37 V C 1.649 177.478 176.094 -0.441 0.000 1.044 37 V CA 1.631 63.588 62.300 -0.571 0.000 1.036 37 V CB -0.486 30.979 31.823 -0.598 0.000 0.664 37 V HN 0.285 nan 8.190 nan 0.000 0.453 38 N N 0.503 119.028 118.700 -0.293 0.000 2.069 38 N HA -0.145 4.596 4.740 0.002 0.000 0.191 38 N C 1.814 177.162 175.510 -0.270 0.000 1.031 38 N CA 1.516 54.385 53.050 -0.302 0.000 0.852 38 N CB -0.754 37.697 38.487 -0.060 0.000 1.018 38 N HN 0.345 nan 8.380 nan 0.000 0.423 39 V N 1.668 121.477 119.914 -0.175 0.000 2.287 39 V HA -0.225 3.896 4.120 0.002 0.000 0.248 39 V C 2.448 178.419 176.094 -0.205 0.000 1.053 39 V CA 1.874 64.054 62.300 -0.199 0.000 1.027 39 V CB -1.064 30.643 31.823 -0.193 0.000 0.646 39 V HN 0.328 nan 8.190 nan 0.000 0.447 40 A N -0.221 122.502 122.820 -0.163 0.000 1.877 40 A HA -0.167 4.154 4.320 0.002 0.000 0.216 40 A C 2.393 179.856 177.584 -0.202 0.000 1.186 40 A CA 2.217 54.172 52.037 -0.138 0.000 0.620 40 A CB -0.718 18.239 19.000 -0.072 0.000 0.822 40 A HN 0.344 nan 8.150 nan 0.000 0.443 41 V N -0.059 119.664 119.914 -0.318 0.000 2.261 41 V HA -0.255 3.866 4.120 0.002 0.000 0.246 41 V C 3.073 179.035 176.094 -0.220 0.000 1.047 41 V CA 1.962 64.083 62.300 -0.299 0.000 1.015 41 V CB -1.515 30.001 31.823 -0.513 0.000 0.642 41 V HN 0.639 nan 8.190 nan 0.000 0.446 42 A N 0.113 122.791 122.820 -0.236 0.000 1.896 42 A HA -0.276 4.046 4.320 0.002 0.000 0.220 42 A C 2.242 179.711 177.584 -0.192 0.000 1.206 42 A CA 2.513 54.428 52.037 -0.204 0.000 0.647 42 A CB -0.815 18.066 19.000 -0.199 0.000 0.828 42 A HN 0.511 nan 8.150 nan 0.000 0.455 43 L N -1.098 120.004 121.223 -0.202 0.000 2.042 43 L HA -0.226 4.115 4.340 0.002 0.000 0.210 43 L C 3.138 179.937 176.870 -0.118 0.000 1.076 43 L CA 1.134 55.856 54.840 -0.196 0.000 0.749 43 L CB -0.676 41.256 42.059 -0.212 0.000 0.893 43 L HN 0.483 nan 8.230 nan 0.000 0.432 44 A N 0.240 123.001 122.820 -0.098 0.000 1.908 44 A HA -0.225 4.096 4.320 0.002 0.000 0.218 44 A C 2.354 179.934 177.584 -0.007 0.000 1.181 44 A CA 1.658 53.670 52.037 -0.042 0.000 0.627 44 A CB -0.505 18.466 19.000 -0.048 0.000 0.818 44 A HN 0.371 nan 8.150 nan 0.000 0.445 45 R N -0.771 119.696 120.500 -0.056 0.000 2.235 45 R HA 0.127 4.468 4.340 0.002 0.000 0.213 45 R C 1.339 177.659 176.300 0.034 0.000 1.059 45 R CA 0.771 56.847 56.100 -0.040 0.000 0.997 45 R CB -0.278 29.811 30.300 -0.352 0.000 0.884 45 R HN 0.494 nan 8.270 nan 0.000 0.462 46 L N -0.720 120.515 121.223 0.019 0.000 2.591 46 L HA 0.191 4.532 4.340 0.002 0.000 0.228 46 L C 1.214 178.236 176.870 0.255 0.000 1.133 46 L CA 0.444 55.362 54.840 0.130 0.000 0.880 46 L CB 0.307 42.390 42.059 0.040 0.000 1.033 46 L HN 0.427 nan 8.230 nan 0.000 0.450 47 G N -0.239 108.660 108.800 0.164 0.000 2.194 47 G HA2 -0.240 3.721 3.960 0.002 0.000 0.236 47 G HA3 -0.240 3.721 3.960 0.002 0.000 0.236 47 G C 0.267 175.271 174.900 0.174 0.000 0.987 47 G CA -0.063 45.148 45.100 0.186 0.000 0.635 47 G HN 0.067 nan 8.290 nan 0.000 0.520 48 V N 1.632 121.604 119.914 0.096 0.000 2.614 48 V HA 0.307 4.428 4.120 0.002 0.000 0.291 48 V C 0.876 176.971 176.094 0.002 0.000 1.049 48 V CA -0.073 62.230 62.300 0.006 0.000 1.038 48 V CB 1.376 33.081 31.823 -0.197 0.000 0.980 48 V HN 0.318 nan 8.190 nan 0.000 0.481 49 K N 3.971 124.382 120.400 0.018 0.000 2.338 49 K HA 0.420 4.741 4.320 0.002 0.000 0.290 49 K C -0.560 176.037 176.600 -0.003 0.000 1.069 49 K CA 0.015 56.315 56.287 0.021 0.000 0.941 49 K CB 1.184 33.706 32.500 0.036 0.000 1.023 49 K HN 0.468 nan 8.250 nan 0.000 0.477 50 V N 1.735 121.649 119.914 0.001 0.000 2.735 50 V HA 0.790 4.911 4.120 0.002 0.000 0.310 50 V C -0.512 175.610 176.094 0.047 0.000 1.061 50 V CA -0.435 61.863 62.300 -0.003 0.000 0.913 50 V CB 1.919 33.723 31.823 -0.031 0.000 1.005 50 V HN 0.795 nan 8.190 nan 0.000 0.428 51 G N 4.279 113.111 108.800 0.054 0.000 2.513 51 G HA2 0.655 4.616 3.960 0.002 0.000 0.317 51 G HA3 0.655 4.616 3.960 0.002 0.000 0.317 51 G C -1.759 173.251 174.900 0.184 0.000 1.277 51 G CA -0.553 44.643 45.100 0.160 0.000 0.955 51 G HN 0.794 nan 8.290 nan 0.000 0.484 52 F N 2.673 122.673 119.950 0.084 0.000 2.469 52 F HA 0.689 5.217 4.527 0.002 0.000 0.332 52 F C -0.674 175.201 175.800 0.124 0.000 1.103 52 F CA -0.972 57.051 58.000 0.040 0.000 0.979 52 F CB 2.329 41.283 39.000 -0.075 0.000 1.137 52 F HN 0.316 nan 8.300 nan 0.000 0.463 53 V N 5.407 124.827 119.914 -0.823 0.000 2.378 53 V HA 0.891 5.012 4.120 0.002 0.000 0.288 53 V C -0.012 175.655 176.094 -0.711 0.000 1.016 53 V CA -0.028 61.983 62.300 -0.482 0.000 0.840 53 V CB 0.786 32.371 31.823 -0.397 0.000 0.994 53 V HN 1.098 nan 8.190 nan 0.000 0.431 54 G N 4.910 113.630 108.800 -0.133 0.000 2.441 54 G HA2 0.640 4.601 3.960 0.002 0.000 0.294 54 G HA3 0.640 4.601 3.960 0.002 0.000 0.294 54 G C -1.986 173.019 174.900 0.175 0.000 1.393 54 G CA -0.873 44.269 45.100 0.070 0.000 0.796 54 G HN 0.359 nan 8.290 nan 0.000 0.494 55 R N -0.277 120.283 120.500 0.102 0.000 2.575 55 R HA 0.667 5.008 4.340 0.002 0.000 0.293 55 R C -0.492 175.823 176.300 0.025 0.000 0.983 55 R CA -0.665 55.384 56.100 -0.085 0.000 0.887 55 R CB 1.502 31.728 30.300 -0.123 0.000 1.184 55 R HN 1.072 nan 8.270 nan 0.000 0.445 56 V N -0.897 118.982 119.914 -0.058 0.000 2.715 56 V HA 0.814 4.935 4.120 0.002 0.000 0.310 56 V C 0.809 176.894 176.094 -0.016 0.000 1.054 56 V CA -0.939 61.401 62.300 0.067 0.000 0.928 56 V CB 1.719 33.667 31.823 0.208 0.000 1.007 56 V HN 0.747 nan 8.190 nan 0.000 0.437 57 G N 1.745 110.557 108.800 0.019 0.000 2.744 57 G HA2 0.278 4.239 3.960 0.002 0.000 0.257 57 G HA3 0.278 4.239 3.960 0.002 0.000 0.257 57 G C -0.058 174.855 174.900 0.021 0.000 1.244 57 G CA -0.455 44.651 45.100 0.010 0.000 0.916 57 G HN 0.922 nan 8.290 nan 0.000 0.564 58 E N 0.771 120.985 120.200 0.022 0.000 2.201 58 E HA 0.240 4.591 4.350 0.002 0.000 0.272 58 E C -0.783 175.843 176.600 0.042 0.000 1.228 58 E CA -0.307 56.104 56.400 0.018 0.000 1.305 58 E CB 0.298 30.000 29.700 0.003 0.000 1.381 58 E HN 0.570 nan 8.360 nan 0.000 0.475 59 D N -1.407 119.029 120.400 0.059 0.000 2.744 59 D HA 0.125 4.766 4.640 0.002 0.000 0.304 59 D C 0.779 177.114 176.300 0.059 0.000 1.179 59 D CA -0.676 53.361 54.000 0.063 0.000 1.024 59 D CB 0.452 41.306 40.800 0.089 0.000 1.453 59 D HN -0.236 nan 8.370 nan 0.000 0.529 60 E N -0.326 119.904 120.200 0.049 0.000 2.072 60 E HA -0.019 4.332 4.350 0.002 0.000 0.191 60 E C 2.004 178.636 176.600 0.053 0.000 0.985 60 E CA 0.828 57.253 56.400 0.041 0.000 0.801 60 E CB -0.205 29.509 29.700 0.023 0.000 0.750 60 E HN 0.461 nan 8.360 nan 0.000 0.452 61 L N -0.069 121.192 121.223 0.064 0.000 2.093 61 L HA -0.052 4.289 4.340 0.002 0.000 0.208 61 L C 2.510 179.444 176.870 0.107 0.000 1.085 61 L CA 1.112 55.998 54.840 0.077 0.000 0.755 61 L CB -0.776 41.335 42.059 0.088 0.000 0.904 61 L HN 0.167 nan 8.230 nan 0.000 0.435 62 G N -0.008 108.865 108.800 0.122 0.000 2.440 62 G HA2 -0.272 3.689 3.960 0.002 0.000 0.218 62 G HA3 -0.272 3.689 3.960 0.002 0.000 0.218 62 G C 1.780 176.777 174.900 0.163 0.000 1.154 62 G CA 0.855 46.047 45.100 0.153 0.000 0.767 62 G HN 0.460 nan 8.290 nan 0.000 0.552 63 A N 0.327 123.215 122.820 0.113 0.000 1.972 63 A HA 0.051 4.372 4.320 0.002 0.000 0.219 63 A C 2.314 179.957 177.584 0.098 0.000 1.169 63 A CA 1.824 53.923 52.037 0.103 0.000 0.635 63 A CB -0.342 18.699 19.000 0.068 0.000 0.810 63 A HN 0.430 nan 8.150 nan 0.000 0.446 64 M N -0.489 119.161 119.600 0.082 0.000 2.254 64 M HA -0.084 4.397 4.480 0.002 0.000 0.265 64 M C 1.786 178.125 176.300 0.065 0.000 1.066 64 M CA 1.464 56.800 55.300 0.061 0.000 1.123 64 M CB -0.116 32.512 32.600 0.046 0.000 1.388 64 M HN 0.217 nan 8.290 nan 0.000 0.425 65 V N 0.583 120.553 119.914 0.093 0.000 2.270 65 V HA -0.267 3.854 4.120 0.002 0.000 0.245 65 V C 2.203 178.305 176.094 0.014 0.000 1.043 65 V CA 2.317 64.652 62.300 0.057 0.000 1.014 65 V CB -0.869 31.030 31.823 0.127 0.000 0.645 65 V HN 0.583 nan 8.190 nan 0.000 0.447 66 E N 0.132 120.430 120.200 0.163 0.000 2.085 66 E HA -0.270 4.082 4.350 0.002 0.000 0.194 66 E C 2.171 178.822 176.600 0.086 0.000 0.994 66 E CA 1.695 58.223 56.400 0.213 0.000 0.801 66 E CB -0.086 29.846 29.700 0.386 0.000 0.743 66 E HN 0.681 nan 8.360 nan 0.000 0.453 67 E N -0.224 120.021 120.200 0.075 0.000 2.150 67 E HA -0.195 4.156 4.350 0.002 0.000 0.193 67 E C 2.187 178.803 176.600 0.027 0.000 0.985 67 E CA 0.682 57.112 56.400 0.050 0.000 0.814 67 E CB -0.014 29.713 29.700 0.047 0.000 0.752 67 E HN 0.034 nan 8.360 nan 0.000 0.466 68 R N 1.514 122.022 120.500 0.014 0.000 2.062 68 R HA -0.075 4.266 4.340 0.002 0.000 0.229 68 R C 2.114 178.400 176.300 -0.024 0.000 1.128 68 R CA 1.149 57.258 56.100 0.014 0.000 0.960 68 R CB -0.759 29.561 30.300 0.033 0.000 0.855 68 R HN 0.120 nan 8.270 nan 0.000 0.432 69 L N 0.150 121.315 121.223 -0.097 0.000 1.990 69 L HA -0.169 4.172 4.340 0.002 0.000 0.213 69 L C 2.852 179.686 176.870 -0.059 0.000 1.072 69 L CA 2.082 56.830 54.840 -0.153 0.000 0.755 69 L CB -0.525 41.351 42.059 -0.306 0.000 0.889 69 L HN 0.243 nan 8.230 nan 0.000 0.432 70 R N -0.103 120.388 120.500 -0.015 0.000 2.081 70 R HA -0.168 4.174 4.340 0.002 0.000 0.235 70 R C 2.397 178.712 176.300 0.025 0.000 1.131 70 R CA 1.353 57.466 56.100 0.022 0.000 0.960 70 R CB -0.289 30.038 30.300 0.044 0.000 0.856 70 R HN 0.381 nan 8.270 nan 0.000 0.436 71 A N 1.148 123.983 122.820 0.025 0.000 1.917 71 A HA -0.199 4.122 4.320 0.002 0.000 0.219 71 A C 1.881 179.492 177.584 0.045 0.000 1.182 71 A CA 1.667 53.726 52.037 0.037 0.000 0.633 71 A CB -0.370 18.655 19.000 0.043 0.000 0.819 71 A HN 0.327 nan 8.150 nan 0.000 0.448 72 E N -1.827 118.393 120.200 0.033 0.000 2.072 72 E HA 0.088 4.439 4.350 0.002 0.000 0.190 72 E C 1.441 178.061 176.600 0.035 0.000 0.982 72 E CA 1.107 57.530 56.400 0.039 0.000 0.803 72 E CB -0.318 29.378 29.700 -0.006 0.000 0.755 72 E HN 0.932 nan 8.360 nan 0.000 0.453 73 G N 0.424 109.236 108.800 0.021 0.000 2.151 73 G HA2 -0.196 3.765 3.960 0.002 0.000 0.140 73 G HA3 -0.196 3.765 3.960 0.002 0.000 0.140 73 G C 0.090 175.007 174.900 0.028 0.000 1.020 73 G CA 0.109 45.228 45.100 0.032 0.000 0.688 73 G HN 0.107 nan 8.290 nan 0.000 0.500 74 V N 1.487 121.405 119.914 0.007 0.000 2.470 74 V HA 0.333 4.454 4.120 0.002 0.000 0.276 74 V C 0.780 176.914 176.094 0.067 0.000 1.040 74 V CA 0.008 62.320 62.300 0.019 0.000 1.008 74 V CB 1.348 33.150 31.823 -0.036 0.000 0.990 74 V HN 0.439 nan 8.190 nan 0.000 0.477 75 D N 4.474 124.942 120.400 0.113 0.000 2.434 75 D HA 0.068 4.709 4.640 0.002 0.000 0.252 75 D C 0.553 176.970 176.300 0.195 0.000 1.185 75 D CA 0.347 54.441 54.000 0.156 0.000 0.886 75 D CB 0.607 41.533 40.800 0.211 0.000 1.148 75 D HN 0.485 nan 8.370 nan 0.000 0.483 76 L N 3.556 124.885 121.223 0.177 0.000 2.872 76 L HA 0.099 4.440 4.340 0.002 0.000 0.245 76 L C 1.945 178.911 176.870 0.159 0.000 1.211 76 L CA -0.244 54.752 54.840 0.259 0.000 1.013 76 L CB -0.131 42.146 42.059 0.364 0.000 1.326 76 L HN 0.464 nan 8.230 nan 0.000 0.525 77 T N -0.796 113.782 114.554 0.040 0.000 2.653 77 T HA -0.255 4.096 4.350 0.002 0.000 0.267 77 T C 1.353 175.814 174.700 -0.398 0.000 1.037 77 T CA 1.667 63.649 62.100 -0.197 0.000 1.159 77 T CB -0.256 68.435 68.868 -0.296 0.000 0.859 77 T HN 0.436 nan 8.240 nan 0.000 0.449 78 H N -1.318 117.666 119.070 -0.143 0.000 2.505 78 H HA 0.312 4.869 4.556 0.002 0.000 0.286 78 H C -0.473 174.866 175.328 0.018 0.000 1.072 78 H CA -0.388 55.599 56.048 -0.101 0.000 1.141 78 H CB -0.057 29.587 29.762 -0.198 0.000 1.550 78 H HN 0.307 nan 8.280 nan 0.000 0.547 79 F N 1.488 121.448 119.950 0.017 0.000 2.458 79 F HA 0.548 5.076 4.527 0.002 0.000 0.336 79 F C -0.442 175.381 175.800 0.039 0.000 1.114 79 F CA -0.848 57.186 58.000 0.056 0.000 0.987 79 F CB 1.188 40.286 39.000 0.163 0.000 1.130 79 F HN -0.119 nan 8.300 nan 0.000 0.458 80 R N 3.845 123.776 120.500 -0.948 0.000 2.687 80 R HA 0.394 4.735 4.340 0.002 0.000 0.265 80 R C -1.392 174.523 176.300 -0.642 0.000 1.048 80 R CA -0.923 54.756 56.100 -0.703 0.000 0.884 80 R CB 1.461 31.590 30.300 -0.286 0.000 1.258 80 R HN 0.796 nan 8.270 nan 0.000 0.469 81 R N 1.391 121.649 120.500 -0.402 0.000 2.442 81 R HA 0.524 4.865 4.340 0.002 0.000 0.291 81 R C -0.779 175.426 176.300 -0.159 0.000 1.069 81 R CA 0.164 56.127 56.100 -0.229 0.000 1.022 81 R CB 1.306 31.541 30.300 -0.109 0.000 0.976 81 R HN 0.540 nan 8.270 nan 0.000 0.443 82 A N 5.102 127.844 122.820 -0.129 0.000 2.475 82 A HA 0.575 4.896 4.320 0.002 0.000 0.301 82 A C -2.544 174.999 177.584 -0.068 0.000 1.059 82 A CA -2.162 49.817 52.037 -0.097 0.000 0.710 82 A CB 1.382 20.316 19.000 -0.109 0.000 1.288 82 A HN 0.415 nan 8.150 nan 0.000 0.408 83 P HA 0.263 nan 4.420 nan 0.000 0.268 83 P C 0.714 177.991 177.300 -0.039 0.000 1.171 83 P CA 2.466 65.548 63.100 -0.030 0.000 0.761 83 P CB 0.316 32.000 31.700 -0.027 0.000 0.786 84 G N 0.840 109.637 108.800 -0.005 0.000 2.498 84 G HA2 0.137 4.098 3.960 0.002 0.000 0.651 84 G HA3 0.137 4.098 3.960 0.002 0.000 0.651 84 G C -1.107 173.828 174.900 0.057 0.000 1.284 84 G CA -0.503 44.589 45.100 -0.014 0.000 0.950 84 G HN 0.549 nan 8.290 nan 0.000 0.511 85 F N -0.928 119.035 119.950 0.022 0.000 2.541 85 F HA 0.886 5.414 4.527 0.002 0.000 0.331 85 F C 0.397 176.227 175.800 0.050 0.000 1.057 85 F CA -0.743 57.278 58.000 0.035 0.000 0.975 85 F CB 1.285 40.310 39.000 0.043 0.000 1.246 85 F HN 0.556 nan 8.300 nan 0.000 0.484 86 T N 1.531 116.320 114.554 0.392 0.000 2.806 86 T HA 0.538 4.889 4.350 0.002 0.000 0.290 86 T C 0.443 175.441 174.700 0.497 0.000 0.966 86 T CA -0.201 62.072 62.100 0.287 0.000 1.060 86 T CB 1.013 70.012 68.868 0.219 0.000 0.927 86 T HN 1.029 nan 8.240 nan 0.000 0.485 87 G N 1.913 110.935 108.800 0.371 0.000 2.527 87 G HA2 0.540 4.501 3.960 0.002 0.000 0.248 87 G HA3 0.540 4.501 3.960 0.002 0.000 0.248 87 G C -0.656 174.466 174.900 0.370 0.000 1.231 87 G CA -0.544 44.830 45.100 0.458 0.000 0.838 87 G HN 0.751 nan 8.290 nan 0.000 0.570 88 L N -0.481 120.980 121.223 0.396 0.000 2.415 88 L HA 0.907 5.248 4.340 0.002 0.000 0.256 88 L C -1.148 176.016 176.870 0.491 0.000 1.010 88 L CA -1.719 53.339 54.840 0.362 0.000 0.826 88 L CB 1.885 44.063 42.059 0.197 0.000 1.405 88 L HN 0.739 nan 8.230 nan 0.000 0.410 89 Y N 0.310 120.731 120.300 0.201 0.000 2.504 89 Y HA 0.866 5.417 4.550 0.002 0.000 0.344 89 Y C -1.840 174.132 175.900 0.119 0.000 1.023 89 Y CA -1.638 56.558 58.100 0.161 0.000 1.020 89 Y CB 1.068 39.510 38.460 -0.031 0.000 1.282 89 Y HN 0.639 nan 8.280 nan 0.000 0.454 90 L N 3.651 124.962 121.223 0.147 0.000 2.387 90 L HA 0.688 5.029 4.340 0.002 0.000 0.266 90 L C -0.153 176.761 176.870 0.074 0.000 1.059 90 L CA -0.702 54.175 54.840 0.063 0.000 0.801 90 L CB 1.308 43.478 42.059 0.186 0.000 1.223 90 L HN 0.823 nan 8.230 nan 0.000 0.456 91 R N 0.522 121.066 120.500 0.074 0.000 2.533 91 R HA 0.399 4.740 4.340 0.002 0.000 0.288 91 R C -1.406 175.023 176.300 0.215 0.000 1.039 91 R CA -0.500 55.662 56.100 0.102 0.000 0.909 91 R CB 1.444 31.736 30.300 -0.015 0.000 1.195 91 R HN 0.723 nan 8.270 nan 0.000 0.438 92 E N 4.602 124.938 120.200 0.226 0.000 2.165 92 E HA 0.212 4.563 4.350 0.002 0.000 0.266 92 E C -1.658 175.079 176.600 0.229 0.000 0.889 92 E CA -0.763 55.768 56.400 0.218 0.000 0.756 92 E CB 0.961 30.803 29.700 0.236 0.000 1.131 92 E HN 0.635 nan 8.360 nan 0.000 0.411 93 Y N 3.605 123.891 120.300 -0.023 0.000 2.447 93 Y HA 0.398 4.949 4.550 0.002 0.000 0.325 93 Y C -0.647 175.210 175.900 -0.071 0.000 0.976 93 Y CA -1.608 56.466 58.100 -0.043 0.000 1.280 93 Y CB 0.486 38.927 38.460 -0.032 0.000 1.104 93 Y HN 0.207 nan 8.280 nan 0.000 0.486 94 L N 5.306 126.502 121.223 -0.046 0.000 2.483 94 L HA 0.126 4.467 4.340 0.002 0.000 0.276 94 L C -1.169 175.646 176.870 -0.091 0.000 1.213 94 L CA -1.997 52.746 54.840 -0.161 0.000 0.843 94 L CB 0.511 42.457 42.059 -0.189 0.000 1.107 94 L HN 0.464 nan 8.230 nan 0.000 0.487 95 P HA -0.210 nan 4.420 nan 0.000 0.218 95 P C 1.048 178.339 177.300 -0.015 0.000 1.154 95 P CA 1.239 64.309 63.100 -0.050 0.000 0.872 95 P CB 0.166 31.843 31.700 -0.038 0.000 0.790 96 L N -1.954 119.261 121.223 -0.014 0.000 2.805 96 L HA 0.331 4.672 4.340 0.002 0.000 0.237 96 L C 1.517 178.391 176.870 0.008 0.000 1.252 96 L CA 0.883 55.725 54.840 0.002 0.000 1.064 96 L CB -0.966 41.098 42.059 0.007 0.000 1.361 96 L HN 0.160 nan 8.230 nan 0.000 0.474 97 G N -0.893 107.916 108.800 0.016 0.000 4.933 97 G HA2 -0.369 3.592 3.960 0.002 0.000 0.285 97 G HA3 -0.369 3.592 3.960 0.002 0.000 0.285 97 G C 0.322 175.239 174.900 0.028 0.000 1.596 97 G CA -0.076 45.040 45.100 0.027 0.000 1.081 97 G HN 0.317 nan 8.290 nan 0.000 0.710 98 Q N 2.887 122.696 119.800 0.014 0.000 2.308 98 Q HA 0.482 4.823 4.340 0.002 0.000 0.313 98 Q C 0.569 176.574 176.000 0.008 0.000 1.075 98 Q CA 1.593 57.402 55.803 0.011 0.000 0.995 98 Q CB 0.372 29.115 28.738 0.007 0.000 1.107 98 Q HN 1.217 nan 8.270 nan 0.000 0.380 99 G N 3.037 111.846 108.800 0.015 0.000 2.818 99 G HA2 0.712 4.673 3.960 0.002 0.000 0.286 99 G HA3 0.712 4.673 3.960 0.002 0.000 0.286 99 G C -1.410 173.476 174.900 -0.023 0.000 1.364 99 G CA -0.820 44.290 45.100 0.017 0.000 0.938 99 G HN 0.627 nan 8.290 nan 0.000 0.490 100 R N -1.159 119.309 120.500 -0.052 0.000 2.892 100 R HA 0.756 5.097 4.340 0.002 0.000 0.265 100 R C -1.442 174.650 176.300 -0.347 0.000 1.025 100 R CA -0.505 55.464 56.100 -0.219 0.000 0.982 100 R CB 2.288 32.415 30.300 -0.289 0.000 1.185 100 R HN 0.374 nan 8.270 nan 0.000 0.484 101 V N 2.579 122.159 119.914 -0.557 0.000 2.864 101 V HA 0.597 4.718 4.120 0.002 0.000 0.314 101 V C -1.350 174.271 176.094 -0.789 0.000 1.073 101 V CA -0.595 61.416 62.300 -0.481 0.000 0.956 101 V CB 1.936 33.585 31.823 -0.290 0.000 1.023 101 V HN 0.609 nan 8.190 nan 0.000 0.435 102 F N 2.545 122.445 119.950 -0.083 0.000 2.612 102 F HA 0.574 5.102 4.527 0.002 0.000 0.332 102 F C -0.510 175.273 175.800 -0.028 0.000 1.167 102 F CA -0.656 57.321 58.000 -0.040 0.000 0.970 102 F CB 1.045 40.086 39.000 0.069 0.000 1.234 102 F HN 0.314 nan 8.300 nan 0.000 0.453 103 Y N 1.580 121.983 120.300 0.171 0.000 2.307 103 Y HA 0.407 4.958 4.550 0.002 0.000 0.324 103 Y C -0.525 175.320 175.900 -0.092 0.000 1.238 103 Y CA -0.377 57.801 58.100 0.129 0.000 1.280 103 Y CB 0.905 39.382 38.460 0.029 0.000 1.248 103 Y HN 0.475 nan 8.280 nan 0.000 0.508 104 Y N 1.897 122.409 120.300 0.353 0.000 2.529 104 Y HA 0.277 4.828 4.550 0.002 0.000 0.319 104 Y C 0.382 176.464 175.900 0.303 0.000 1.063 104 Y CA -0.730 57.506 58.100 0.227 0.000 1.178 104 Y CB 0.541 39.076 38.460 0.125 0.000 1.123 104 Y HN 0.608 nan 8.280 nan 0.000 0.625 105 R N -0.967 119.762 120.500 0.381 0.000 2.582 105 R HA 0.237 4.578 4.340 0.002 0.000 0.285 105 R C -0.003 176.435 176.300 0.231 0.000 0.940 105 R CA -0.551 55.767 56.100 0.363 0.000 1.072 105 R CB 0.348 30.774 30.300 0.210 0.000 1.527 105 R HN 0.076 nan 8.270 nan 0.000 0.538 106 K N 1.765 122.273 120.400 0.180 0.000 2.419 106 K HA 0.115 4.436 4.320 0.002 0.000 0.282 106 K C 0.313 177.003 176.600 0.151 0.000 1.056 106 K CA 1.500 57.842 56.287 0.092 0.000 1.035 106 K CB 0.266 32.799 32.500 0.054 0.000 0.921 106 K HN 0.489 nan 8.250 nan 0.000 0.472 107 G N 2.542 111.347 108.800 0.008 0.000 2.157 107 G HA2 -0.292 3.669 3.960 0.002 0.000 0.239 107 G HA3 -0.292 3.669 3.960 0.002 0.000 0.239 107 G C 0.055 174.751 174.900 -0.341 0.000 0.982 107 G CA 0.287 45.358 45.100 -0.047 0.000 0.650 107 G HN 0.796 nan 8.290 nan 0.000 0.527 108 S N -0.352 115.031 115.700 -0.529 0.000 2.606 108 S HA 0.676 5.147 4.470 0.002 0.000 0.257 108 S C 1.818 176.074 174.600 -0.573 0.000 1.327 108 S CA 0.525 58.083 58.200 -1.070 0.000 0.984 108 S CB 1.568 64.433 63.200 -0.559 0.000 0.941 108 S HN 1.660 nan 8.310 nan 0.000 0.576 109 A N 0.715 123.235 122.820 -0.499 0.000 2.014 109 A HA 0.241 4.562 4.320 0.002 0.000 0.218 109 A C 2.074 179.556 177.584 -0.171 0.000 1.163 109 A CA 1.166 53.048 52.037 -0.258 0.000 0.652 109 A CB -1.513 17.379 19.000 -0.180 0.000 0.808 109 A HN 1.058 nan 8.150 nan 0.000 0.449 110 G N -0.294 108.422 108.800 -0.139 0.000 2.430 110 G HA2 -0.034 3.927 3.960 0.002 0.000 0.216 110 G HA3 -0.034 3.927 3.960 0.002 0.000 0.216 110 G C 1.592 176.429 174.900 -0.105 0.000 1.146 110 G CA 1.170 46.228 45.100 -0.070 0.000 0.793 110 G HN 0.832 nan 8.290 nan 0.000 0.537 111 S N 0.446 116.066 115.700 -0.132 0.000 2.786 111 S HA 0.522 4.993 4.470 0.002 0.000 0.223 111 S C 1.959 176.480 174.600 -0.131 0.000 0.956 111 S CA 0.800 58.919 58.200 -0.134 0.000 0.961 111 S CB 0.214 63.331 63.200 -0.138 0.000 0.784 111 S HN 0.429 nan 8.310 nan 0.000 0.519 112 A N 1.814 124.553 122.820 -0.135 0.000 1.871 112 A HA 0.398 4.719 4.320 0.002 0.000 0.211 112 A C 1.072 178.583 177.584 -0.122 0.000 1.207 112 A CA 0.004 51.970 52.037 -0.120 0.000 0.620 112 A CB -0.720 18.207 19.000 -0.121 0.000 0.860 112 A HN 0.591 nan 8.150 nan 0.000 0.450 113 L N 0.030 121.147 121.223 -0.177 0.000 4.145 113 L HA -0.190 4.151 4.340 0.002 0.000 0.495 113 L C 0.487 177.283 176.870 -0.123 0.000 0.860 113 L CA 0.187 54.857 54.840 -0.282 0.000 0.689 113 L CB -1.169 40.614 42.059 -0.460 0.000 1.054 113 L HN 0.562 nan 8.230 nan 0.000 0.935 114 A N 5.751 128.540 122.820 -0.051 0.000 2.387 114 A HA 0.888 5.209 4.320 0.002 0.000 0.298 114 A C -2.503 175.146 177.584 0.109 0.000 1.165 114 A CA -1.675 50.400 52.037 0.064 0.000 0.814 114 A CB 1.201 20.183 19.000 -0.030 0.000 1.357 114 A HN 0.408 nan 8.150 nan 0.000 0.443 115 P HA 0.239 nan 4.420 nan 0.000 0.265 115 P C 0.819 177.494 177.300 -1.042 0.000 1.187 115 P CA 2.368 65.105 63.100 -0.605 0.000 0.766 115 P CB 0.415 31.801 31.700 -0.523 0.000 0.820 116 G N 2.352 109.736 108.800 -2.359 0.000 2.160 116 G HA2 -0.284 3.677 3.960 0.002 0.000 0.251 116 G HA3 -0.284 3.677 3.960 0.002 0.000 0.251 116 G C 1.121 175.730 174.900 -0.486 0.000 1.008 116 G CA 0.314 44.623 45.100 -1.318 0.000 0.724 116 G HN 0.670 nan 8.290 nan 0.000 0.514 117 A N -0.740 121.955 122.820 -0.207 0.000 1.978 117 A HA 0.434 4.755 4.320 0.002 0.000 0.220 117 A C 1.013 178.773 177.584 0.293 0.000 1.170 117 A CA 1.870 53.986 52.037 0.132 0.000 0.636 117 A CB -0.292 18.834 19.000 0.210 0.000 0.810 117 A HN 1.782 nan 8.150 nan 0.000 0.448 118 F N -3.172 116.953 119.950 0.292 0.000 2.650 118 F HA 0.635 5.163 4.527 0.002 0.000 0.320 118 F C -0.768 175.133 175.800 0.168 0.000 1.091 118 F CA -1.737 56.337 58.000 0.124 0.000 0.962 118 F CB 0.779 39.679 39.000 -0.167 0.000 1.363 118 F HN -0.140 nan 8.300 nan 0.000 0.482 119 D N 2.240 122.649 120.400 0.016 0.000 2.336 119 D HA 0.257 4.898 4.640 0.002 0.000 0.249 119 D C -1.849 174.447 176.300 -0.007 0.000 1.213 119 D CA -1.871 52.157 54.000 0.047 0.000 0.870 119 D CB 1.653 42.585 40.800 0.221 0.000 1.076 119 D HN 0.245 nan 8.370 nan 0.000 0.483 120 P HA -0.157 nan 4.420 nan 0.000 0.217 120 P C 0.732 178.088 177.300 0.093 0.000 1.151 120 P CA 0.916 63.919 63.100 -0.161 0.000 0.849 120 P CB 0.272 31.855 31.700 -0.194 0.000 0.787 121 D N -2.140 118.328 120.400 0.113 0.000 2.362 121 D HA -0.221 4.420 4.640 0.002 0.000 0.215 121 D C 1.671 178.113 176.300 0.237 0.000 0.978 121 D CA 0.902 54.986 54.000 0.141 0.000 0.921 121 D CB -0.533 40.346 40.800 0.131 0.000 0.895 121 D HN 0.387 nan 8.370 nan 0.000 0.494 122 Y N 1.210 121.606 120.300 0.160 0.000 2.128 122 Y HA -0.193 4.358 4.550 0.002 0.000 0.284 122 Y C 2.242 178.219 175.900 0.127 0.000 1.154 122 Y CA 0.790 59.005 58.100 0.190 0.000 1.149 122 Y CB -0.064 38.522 38.460 0.209 0.000 0.976 122 Y HN -0.090 nan 8.280 nan 0.000 0.505 123 L N 0.969 122.270 121.223 0.131 0.000 2.549 123 L HA -0.141 4.200 4.340 0.002 0.000 0.230 123 L C 0.789 177.639 176.870 -0.033 0.000 1.162 123 L CA 0.536 55.358 54.840 -0.030 0.000 0.834 123 L CB -0.721 41.350 42.059 0.019 0.000 0.947 123 L HN 0.265 nan 8.230 nan 0.000 0.452 124 E N 1.020 121.229 120.200 0.015 0.000 2.406 124 E HA 0.094 4.445 4.350 0.002 0.000 0.258 124 E C 1.120 177.715 176.600 -0.008 0.000 1.043 124 E CA 0.650 57.055 56.400 0.008 0.000 0.929 124 E CB 0.226 29.950 29.700 0.040 0.000 0.969 124 E HN 0.351 nan 8.360 nan 0.000 0.462 125 G N 3.058 111.844 108.800 -0.023 0.000 2.179 125 G HA2 -0.268 3.693 3.960 0.002 0.000 0.260 125 G HA3 -0.268 3.693 3.960 0.002 0.000 0.260 125 G C 0.208 175.086 174.900 -0.035 0.000 0.977 125 G CA 0.122 45.209 45.100 -0.023 0.000 0.641 125 G HN 0.515 nan 8.290 nan 0.000 0.533 126 V N 2.536 122.416 119.914 -0.057 0.000 2.455 126 V HA 0.236 4.357 4.120 0.002 0.000 0.273 126 V C 2.011 178.068 176.094 -0.062 0.000 1.045 126 V CA -0.307 61.956 62.300 -0.062 0.000 0.976 126 V CB 1.231 32.988 31.823 -0.110 0.000 0.993 126 V HN 0.337 nan 8.190 nan 0.000 0.475 127 R N 3.367 123.860 120.500 -0.012 0.000 2.096 127 R HA -0.082 4.259 4.340 0.002 0.000 0.240 127 R C -0.016 176.122 176.300 -0.271 0.000 1.139 127 R CA 1.597 57.663 56.100 -0.057 0.000 0.952 127 R CB -0.203 30.243 30.300 0.243 0.000 0.854 127 R HN 0.538 nan 8.270 nan 0.000 0.436 128 F N -1.676 118.249 119.950 -0.042 0.000 2.613 128 F HA 0.393 4.921 4.527 0.002 0.000 0.314 128 F C -0.618 175.173 175.800 -0.016 0.000 1.075 128 F CA -1.313 56.679 58.000 -0.013 0.000 0.945 128 F CB 1.312 40.317 39.000 0.009 0.000 1.310 128 F HN -0.260 nan 8.300 nan 0.000 0.467 129 L N 2.404 123.754 121.223 0.212 0.000 2.345 129 L HA 0.497 4.838 4.340 0.002 0.000 0.274 129 L C -1.328 175.665 176.870 0.205 0.000 0.999 129 L CA -0.299 54.615 54.840 0.124 0.000 0.849 129 L CB 0.488 42.569 42.059 0.036 0.000 1.220 129 L HN 0.647 nan 8.230 nan 0.000 0.422 130 H N 4.642 123.770 119.070 0.097 0.000 2.473 130 H HA 0.776 5.334 4.556 0.002 0.000 0.327 130 H C -1.189 174.204 175.328 0.109 0.000 1.105 130 H CA -0.148 55.964 56.048 0.107 0.000 1.280 130 H CB 0.972 30.768 29.762 0.057 0.000 1.450 130 H HN 0.700 nan 8.280 nan 0.000 0.492 131 L N 2.341 123.243 121.223 -0.536 0.000 2.301 131 L HA 0.535 4.876 4.340 0.002 0.000 0.249 131 L C -0.615 175.992 176.870 -0.439 0.000 1.069 131 L CA -1.076 53.578 54.840 -0.310 0.000 0.865 131 L CB 2.130 44.174 42.059 -0.025 0.000 1.467 131 L HN 0.602 nan 8.230 nan 0.000 0.419 132 S N -1.471 114.145 115.700 -0.140 0.000 2.536 132 S HA 0.464 4.935 4.470 0.002 0.000 0.271 132 S C 0.541 175.155 174.600 0.022 0.000 1.134 132 S CA 0.004 58.178 58.200 -0.043 0.000 0.897 132 S CB 1.724 64.912 63.200 -0.020 0.000 1.094 132 S HN 0.824 nan 8.310 nan 0.000 0.473 133 G N 2.709 111.579 108.800 0.116 0.000 2.615 133 G HA2 -0.026 3.935 3.960 0.002 0.000 0.213 133 G HA3 -0.026 3.935 3.960 0.002 0.000 0.213 133 G C 0.934 175.822 174.900 -0.020 0.000 1.135 133 G CA 0.707 45.910 45.100 0.171 0.000 0.772 133 G HN 0.735 nan 8.290 nan 0.000 0.542 134 I N 0.448 120.959 120.570 -0.098 0.000 2.333 134 I HA -0.104 4.067 4.170 0.002 0.000 0.246 134 I C 2.911 178.811 176.117 -0.360 0.000 1.106 134 I CA 1.171 62.325 61.300 -0.244 0.000 1.411 134 I CB -0.611 37.298 38.000 -0.152 0.000 1.082 134 I HN 0.043 nan 8.210 nan 0.000 0.420 135 T N 2.268 116.684 114.554 -0.230 0.000 2.597 135 T HA -0.136 4.215 4.350 0.002 0.000 0.267 135 T C -0.496 174.020 174.700 -0.308 0.000 1.053 135 T CA 1.769 63.753 62.100 -0.193 0.000 1.165 135 T CB -1.771 67.079 68.868 -0.030 0.000 0.863 135 T HN 0.322 nan 8.240 nan 0.000 0.427 136 P HA 0.137 nan 4.420 nan 0.000 0.230 136 P C 0.944 177.770 177.300 -0.789 0.000 1.158 136 P CA 0.948 63.703 63.100 -0.574 0.000 0.769 136 P CB -0.122 30.889 31.700 -1.149 0.000 0.807 137 A N -0.265 121.840 122.820 -1.191 0.000 2.132 137 A HA 0.078 4.399 4.320 0.002 0.000 0.213 137 A C 2.200 179.338 177.584 -0.745 0.000 1.154 137 A CA 0.340 51.435 52.037 -1.571 0.000 0.753 137 A CB -1.099 16.533 19.000 -2.279 0.000 0.826 137 A HN 0.129 nan 8.150 nan 0.000 0.469 138 L N -0.124 120.789 121.223 -0.517 0.000 2.217 138 L HA 0.047 4.388 4.340 0.002 0.000 0.211 138 L C 0.830 177.571 176.870 -0.214 0.000 1.107 138 L CA 0.939 55.579 54.840 -0.332 0.000 0.783 138 L CB -0.349 41.549 42.059 -0.269 0.000 0.919 138 L HN 0.567 nan 8.230 nan 0.000 0.442 139 S N -4.580 111.015 115.700 -0.175 0.000 2.683 139 S HA 0.222 4.693 4.470 0.002 0.000 0.278 139 S C -2.626 171.952 174.600 -0.036 0.000 1.059 139 S CA -0.994 57.154 58.200 -0.087 0.000 0.847 139 S CB 1.099 64.254 63.200 -0.075 0.000 1.078 139 S HN -0.309 nan 8.310 nan 0.000 0.456 140 P HA -0.055 nan 4.420 nan 0.000 0.218 140 P C 0.997 178.327 177.300 0.050 0.000 1.148 140 P CA 1.508 64.636 63.100 0.047 0.000 0.822 140 P CB 0.021 31.748 31.700 0.044 0.000 0.784 141 E N -0.407 119.806 120.200 0.022 0.000 2.077 141 E HA -0.128 4.223 4.350 0.002 0.000 0.193 141 E C 2.128 178.769 176.600 0.068 0.000 0.989 141 E CA 1.628 58.043 56.400 0.025 0.000 0.800 141 E CB -1.078 28.614 29.700 -0.013 0.000 0.746 141 E HN 0.164 nan 8.360 nan 0.000 0.452 142 A N 0.592 123.436 122.820 0.039 0.000 1.970 142 A HA -0.077 4.244 4.320 0.002 0.000 0.216 142 A C 2.103 179.775 177.584 0.147 0.000 1.170 142 A CA 1.262 53.347 52.037 0.080 0.000 0.645 142 A CB -0.342 18.632 19.000 -0.043 0.000 0.816 142 A HN 0.107 nan 8.150 nan 0.000 0.447 143 R N -0.127 120.421 120.500 0.080 0.000 2.091 143 R HA -0.129 4.212 4.340 0.002 0.000 0.238 143 R C 2.211 178.679 176.300 0.280 0.000 1.136 143 R CA 1.551 57.735 56.100 0.140 0.000 0.959 143 R CB -0.366 30.036 30.300 0.170 0.000 0.856 143 R HN 0.425 nan 8.270 nan 0.000 0.437 144 A N 0.435 123.387 122.820 0.221 0.000 1.898 144 A HA -0.167 4.154 4.320 0.002 0.000 0.216 144 A C 1.962 179.693 177.584 0.245 0.000 1.181 144 A CA 1.178 53.340 52.037 0.208 0.000 0.620 144 A CB -0.808 18.272 19.000 0.133 0.000 0.819 144 A HN 0.543 nan 8.150 nan 0.000 0.442 145 F N 1.891 121.944 119.950 0.172 0.000 2.065 145 F HA -0.253 4.275 4.527 0.002 0.000 0.298 145 F C 2.470 178.483 175.800 0.354 0.000 1.112 145 F CA 1.999 60.160 58.000 0.267 0.000 1.212 145 F CB -0.650 38.460 39.000 0.184 0.000 0.975 145 F HN 0.217 nan 8.300 nan 0.000 0.476 146 S N 1.589 117.385 115.700 0.161 0.000 2.369 146 S HA -0.267 4.205 4.470 0.002 0.000 0.225 146 S C 2.111 176.745 174.600 0.057 0.000 1.043 146 S CA 2.000 60.271 58.200 0.119 0.000 1.074 146 S CB -0.977 62.433 63.200 0.350 0.000 0.962 146 S HN 0.464 nan 8.310 nan 0.000 0.433 147 L N -0.403 120.926 121.223 0.176 0.000 1.990 147 L HA -0.197 4.144 4.340 0.002 0.000 0.213 147 L C 2.426 179.318 176.870 0.037 0.000 1.072 147 L CA 2.043 56.943 54.840 0.100 0.000 0.755 147 L CB -0.748 41.388 42.059 0.127 0.000 0.889 147 L HN 0.488 nan 8.230 nan 0.000 0.432 148 W N 1.107 122.331 121.300 -0.128 0.000 2.318 148 W HA -0.277 4.384 4.660 0.002 0.000 0.313 148 W C 2.563 178.945 176.519 -0.229 0.000 1.221 148 W CA 2.001 59.247 57.345 -0.164 0.000 1.266 148 W CB -0.394 28.966 29.460 -0.166 0.000 1.150 148 W HN 0.159 nan 8.180 nan 0.000 0.496 149 A N 1.647 124.183 122.820 -0.473 0.000 1.859 149 A HA -0.330 3.991 4.320 0.002 0.000 0.218 149 A C 2.177 179.495 177.584 -0.444 0.000 1.209 149 A CA 3.289 54.914 52.037 -0.687 0.000 0.639 149 A CB -1.388 17.210 19.000 -0.670 0.000 0.835 149 A HN 0.611 nan 8.150 nan 0.000 0.450 150 M N -1.540 117.910 119.600 -0.249 0.000 2.319 150 M HA -0.004 4.477 4.480 0.002 0.000 0.265 150 M C 1.830 178.027 176.300 -0.173 0.000 1.068 150 M CA 2.201 57.409 55.300 -0.154 0.000 1.118 150 M CB -0.622 31.940 32.600 -0.063 0.000 1.395 150 M HN 0.544 nan 8.290 nan 0.000 0.435 151 E N 1.088 121.166 120.200 -0.204 0.000 2.150 151 E HA -0.221 4.130 4.350 0.002 0.000 0.193 151 E C 1.769 178.227 176.600 -0.236 0.000 0.985 151 E CA 1.296 57.592 56.400 -0.173 0.000 0.814 151 E CB 0.124 29.747 29.700 -0.128 0.000 0.752 151 E HN 0.563 nan 8.360 nan 0.000 0.466 152 E N -0.095 119.861 120.200 -0.407 0.000 2.230 152 E HA 0.024 4.375 4.350 0.002 0.000 0.192 152 E C 1.502 177.938 176.600 -0.274 0.000 0.987 152 E CA 1.012 57.146 56.400 -0.444 0.000 0.841 152 E CB 0.044 29.210 29.700 -0.889 0.000 0.783 152 E HN 0.348 nan 8.360 nan 0.000 0.481 153 A N 0.533 123.218 122.820 -0.225 0.000 1.903 153 A HA -0.053 4.268 4.320 0.002 0.000 0.213 153 A C 2.061 179.574 177.584 -0.117 0.000 1.185 153 A CA 1.346 53.301 52.037 -0.136 0.000 0.628 153 A CB -0.371 18.567 19.000 -0.103 0.000 0.830 153 A HN 0.179 nan 8.150 nan 0.000 0.446 154 K N -0.034 120.295 120.400 -0.118 0.000 2.063 154 K HA -0.153 4.168 4.320 0.002 0.000 0.208 154 K C 2.168 178.715 176.600 -0.089 0.000 1.048 154 K CA 1.545 57.775 56.287 -0.095 0.000 0.928 154 K CB -0.227 32.222 32.500 -0.085 0.000 0.713 154 K HN 0.344 nan 8.250 nan 0.000 0.442 155 R N 0.309 120.748 120.500 -0.101 0.000 2.285 155 R HA -0.080 4.261 4.340 0.002 0.000 0.213 155 R C 1.504 177.761 176.300 -0.073 0.000 1.068 155 R CA 1.068 57.119 56.100 -0.083 0.000 1.004 155 R CB 0.093 30.337 30.300 -0.093 0.000 0.873 155 R HN 0.073 nan 8.270 nan 0.000 0.467 156 R N -1.253 119.198 120.500 -0.081 0.000 2.397 156 R HA 0.115 4.456 4.340 0.002 0.000 0.241 156 R C 0.444 176.704 176.300 -0.066 0.000 0.914 156 R CA 0.764 56.825 56.100 -0.065 0.000 1.071 156 R CB 0.683 30.945 30.300 -0.063 0.000 1.116 156 R HN 0.336 nan 8.270 nan 0.000 0.524 157 G N 0.304 109.059 108.800 -0.076 0.000 2.147 157 G HA2 -0.234 3.727 3.960 0.002 0.000 0.244 157 G HA3 -0.234 3.727 3.960 0.002 0.000 0.244 157 G C -0.215 174.617 174.900 -0.113 0.000 1.005 157 G CA 0.316 45.366 45.100 -0.083 0.000 0.713 157 G HN 0.164 nan 8.290 nan 0.000 0.515 158 V N 1.701 121.545 119.914 -0.118 0.000 2.509 158 V HA 0.452 4.573 4.120 0.002 0.000 0.284 158 V C 1.108 177.095 176.094 -0.178 0.000 1.047 158 V CA -0.993 61.216 62.300 -0.151 0.000 0.952 158 V CB 1.431 33.188 31.823 -0.109 0.000 0.988 158 V HN 0.348 nan 8.190 nan 0.000 0.469 159 R N 2.778 123.089 120.500 -0.314 0.000 2.491 159 R HA 0.294 4.635 4.340 0.002 0.000 0.283 159 R C -0.784 175.468 176.300 -0.080 0.000 1.072 159 R CA -0.246 55.662 56.100 -0.321 0.000 1.048 159 R CB 0.982 30.769 30.300 -0.855 0.000 0.983 159 R HN 0.457 nan 8.270 nan 0.000 0.450 160 V N 2.579 122.505 119.914 0.021 0.000 2.311 160 V HA 0.084 4.205 4.120 0.002 0.000 0.275 160 V C 0.363 176.581 176.094 0.207 0.000 1.022 160 V CA -0.219 62.141 62.300 0.101 0.000 0.830 160 V CB 1.366 33.213 31.823 0.041 0.000 1.012 160 V HN 0.713 nan 8.190 nan 0.000 0.452 161 S N 5.654 121.550 115.700 0.327 0.000 2.462 161 S HA 0.782 5.253 4.470 0.002 0.000 0.294 161 S C -0.930 173.886 174.600 0.360 0.000 1.144 161 S CA -0.478 57.990 58.200 0.447 0.000 1.088 161 S CB 1.047 64.635 63.200 0.645 0.000 1.009 161 S HN 0.580 nan 8.310 nan 0.000 0.484 162 L N 4.334 125.771 121.223 0.356 0.000 2.408 162 L HA 0.669 5.010 4.340 0.002 0.000 0.268 162 L C -1.496 175.599 176.870 0.375 0.000 0.986 162 L CA -0.284 54.702 54.840 0.243 0.000 0.820 162 L CB 2.189 44.372 42.059 0.205 0.000 1.303 162 L HN 0.625 nan 8.230 nan 0.000 0.411 163 D N 3.594 124.166 120.400 0.286 0.000 2.453 163 D HA 0.234 4.875 4.640 0.002 0.000 0.238 163 D C 1.033 177.475 176.300 0.236 0.000 1.088 163 D CA -0.342 53.850 54.000 0.321 0.000 0.854 163 D CB 1.756 42.713 40.800 0.262 0.000 1.076 163 D HN 0.376 nan 8.370 nan 0.000 0.533 164 V N 3.754 123.818 119.914 0.251 0.000 2.252 164 V HA -0.339 3.783 4.120 0.002 0.000 0.255 164 V C 1.020 177.276 176.094 0.269 0.000 1.071 164 V CA 1.618 64.076 62.300 0.264 0.000 1.050 164 V CB -0.897 31.064 31.823 0.231 0.000 0.654 164 V HN 0.794 nan 8.190 nan 0.000 0.448 165 N N 0.098 118.927 118.700 0.214 0.000 2.696 165 N HA -0.250 4.491 4.740 0.002 0.000 0.271 165 N C -0.515 175.128 175.510 0.220 0.000 0.997 165 N CA 0.732 53.884 53.050 0.169 0.000 0.801 165 N CB -0.892 37.658 38.487 0.105 0.000 0.913 165 N HN 0.737 nan 8.380 nan 0.000 0.557 166 Y N 1.351 121.760 120.300 0.182 0.000 2.377 166 Y HA 0.270 4.821 4.550 0.002 0.000 0.330 166 Y C 0.293 176.317 175.900 0.206 0.000 1.108 166 Y CA -0.259 57.998 58.100 0.262 0.000 1.308 166 Y CB 0.673 39.261 38.460 0.214 0.000 1.216 166 Y HN 0.033 nan 8.280 nan 0.000 0.518 167 R N 6.579 126.716 120.500 -0.605 0.000 2.388 167 R HA 0.146 4.487 4.340 0.002 0.000 0.314 167 R C 0.581 176.463 176.300 -0.696 0.000 0.959 167 R CA -0.491 55.300 56.100 -0.515 0.000 0.851 167 R CB 1.526 31.688 30.300 -0.230 0.000 1.168 167 R HN 0.938 nan 8.270 nan 0.000 0.472 168 Q N 0.257 119.690 119.800 -0.613 0.000 2.181 168 Q HA -0.128 4.213 4.340 0.002 0.000 0.205 168 Q C 0.910 176.894 176.000 -0.026 0.000 0.980 168 Q CA 1.807 57.495 55.803 -0.191 0.000 0.862 168 Q CB 0.047 28.817 28.738 0.052 0.000 0.905 168 Q HN 0.491 nan 8.270 nan 0.000 0.429 169 T N 1.593 116.123 114.554 -0.040 0.000 2.803 169 T HA -0.094 4.258 4.350 0.002 0.000 0.269 169 T C 1.847 176.517 174.700 -0.050 0.000 1.052 169 T CA 0.863 62.967 62.100 0.006 0.000 1.136 169 T CB -0.069 68.862 68.868 0.105 0.000 0.864 169 T HN 0.204 nan 8.240 nan 0.000 0.467 170 L N -1.064 120.080 121.223 -0.131 0.000 2.071 170 L HA 0.198 4.539 4.340 0.002 0.000 0.201 170 L C 0.957 177.842 176.870 0.025 0.000 1.076 170 L CA 0.478 55.195 54.840 -0.204 0.000 0.755 170 L CB -0.275 41.502 42.059 -0.471 0.000 0.915 170 L HN 0.446 nan 8.230 nan 0.000 0.445 171 W N -0.624 120.638 121.300 -0.063 0.000 3.075 171 W HA 0.563 5.224 4.660 0.002 0.000 0.334 171 W C -0.271 176.364 176.519 0.193 0.000 1.243 171 W CA -2.257 55.120 57.345 0.053 0.000 1.170 171 W CB -0.094 29.407 29.460 0.068 0.000 1.452 171 W HN -0.042 nan 8.180 nan 0.000 0.572 172 S N 0.288 116.165 115.700 0.296 0.000 2.614 172 S HA 0.395 4.866 4.470 0.002 0.000 0.265 172 S C -1.769 172.800 174.600 -0.052 0.000 1.303 172 S CA -0.592 57.700 58.200 0.153 0.000 1.000 172 S CB 1.710 64.944 63.200 0.057 0.000 0.935 172 S HN 0.300 nan 8.310 nan 0.000 0.551 173 P HA -0.092 nan 4.420 nan 0.000 0.215 173 P C 1.039 178.087 177.300 -0.420 0.000 1.153 173 P CA 1.320 64.127 63.100 -0.489 0.000 0.853 173 P CB -0.010 31.473 31.700 -0.362 0.000 0.788 174 E N 0.208 120.246 120.200 -0.270 0.000 2.023 174 E HA -0.201 4.150 4.350 0.002 0.000 0.196 174 E C 1.928 178.380 176.600 -0.247 0.000 1.003 174 E CA 1.362 57.625 56.400 -0.228 0.000 0.809 174 E CB -1.209 28.410 29.700 -0.136 0.000 0.755 174 E HN 0.407 nan 8.360 nan 0.000 0.449 175 E N 0.403 120.476 120.200 -0.211 0.000 2.219 175 E HA -0.240 4.112 4.350 0.002 0.000 0.198 175 E C 1.889 178.117 176.600 -0.621 0.000 0.998 175 E CA 1.075 57.359 56.400 -0.194 0.000 0.818 175 E CB -0.204 29.516 29.700 0.033 0.000 0.741 175 E HN 0.294 nan 8.360 nan 0.000 0.477 176 A N 1.268 123.502 122.820 -0.977 0.000 1.861 176 A HA -0.069 4.252 4.320 0.002 0.000 0.212 176 A C 2.069 179.372 177.584 -0.468 0.000 1.199 176 A CA 0.793 52.068 52.037 -1.269 0.000 0.613 176 A CB -0.236 18.141 19.000 -1.039 0.000 0.846 176 A HN 0.014 nan 8.150 nan 0.000 0.446 177 R N -0.472 119.821 120.500 -0.346 0.000 2.094 177 R HA -0.144 4.197 4.340 0.002 0.000 0.239 177 R C 2.350 178.595 176.300 -0.092 0.000 1.137 177 R CA 1.494 57.492 56.100 -0.170 0.000 0.943 177 R CB -0.832 29.282 30.300 -0.310 0.000 0.850 177 R HN 0.541 nan 8.270 nan 0.000 0.433 178 G N 0.555 109.281 108.800 -0.125 0.000 2.529 178 G HA2 -0.344 3.617 3.960 0.002 0.000 0.219 178 G HA3 -0.344 3.617 3.960 0.002 0.000 0.219 178 G C 1.264 176.163 174.900 -0.002 0.000 1.177 178 G CA 0.959 46.028 45.100 -0.052 0.000 0.773 178 G HN 0.350 nan 8.290 nan 0.000 0.573 179 F N 1.285 121.191 119.950 -0.073 0.000 2.216 179 F HA 0.023 4.551 4.527 0.002 0.000 0.300 179 F C 2.418 178.260 175.800 0.070 0.000 1.085 179 F CA 1.079 59.115 58.000 0.060 0.000 1.326 179 F CB -0.063 39.064 39.000 0.212 0.000 1.027 179 F HN 0.074 nan 8.300 nan 0.000 0.497 180 L N -0.154 121.098 121.223 0.049 0.000 2.027 180 L HA -0.180 4.161 4.340 0.002 0.000 0.206 180 L C 2.436 179.273 176.870 -0.055 0.000 1.074 180 L CA 1.826 56.688 54.840 0.037 0.000 0.745 180 L CB -0.935 41.214 42.059 0.150 0.000 0.898 180 L HN 0.118 nan 8.230 nan 0.000 0.433 181 E N 0.603 120.782 120.200 -0.034 0.000 2.110 181 E HA -0.275 4.076 4.350 0.002 0.000 0.193 181 E C 2.295 178.841 176.600 -0.090 0.000 0.988 181 E CA 1.273 57.650 56.400 -0.038 0.000 0.804 181 E CB 0.082 29.769 29.700 -0.022 0.000 0.745 181 E HN 0.265 nan 8.360 nan 0.000 0.458 182 R N -0.576 119.830 120.500 -0.156 0.000 2.161 182 R HA 0.093 4.434 4.340 0.002 0.000 0.213 182 R C 1.928 178.078 176.300 -0.250 0.000 1.055 182 R CA 1.067 57.058 56.100 -0.182 0.000 0.996 182 R CB -0.075 30.117 30.300 -0.180 0.000 0.901 182 R HN 0.175 nan 8.270 nan 0.000 0.456 183 A N 1.387 123.974 122.820 -0.387 0.000 1.861 183 A HA -0.015 4.306 4.320 0.002 0.000 0.212 183 A C 1.969 179.465 177.584 -0.147 0.000 1.199 183 A CA 0.569 52.392 52.037 -0.355 0.000 0.613 183 A CB -0.664 18.007 19.000 -0.549 0.000 0.846 183 A HN 0.322 nan 8.150 nan 0.000 0.446 184 L N 0.351 121.511 121.223 -0.104 0.000 2.113 184 L HA -0.201 4.140 4.340 0.002 0.000 0.221 184 L C -0.612 176.233 176.870 -0.041 0.000 1.084 184 L CA 2.788 57.600 54.840 -0.047 0.000 0.787 184 L CB -2.051 39.984 42.059 -0.040 0.000 0.893 184 L HN 0.194 nan 8.230 nan 0.000 0.440 185 P HA -0.092 nan 4.420 nan 0.000 0.219 185 P C 1.352 178.630 177.300 -0.037 0.000 1.146 185 P CA 1.542 64.617 63.100 -0.041 0.000 0.808 185 P CB -0.211 31.461 31.700 -0.046 0.000 0.779 186 G N -1.357 107.418 108.800 -0.041 0.000 2.939 186 G HA2 0.071 4.032 3.960 0.002 0.000 0.210 186 G HA3 0.071 4.032 3.960 0.002 0.000 0.210 186 G C 0.213 175.105 174.900 -0.012 0.000 1.160 186 G CA 0.034 45.114 45.100 -0.034 0.000 0.770 186 G HN 0.138 nan 8.290 nan 0.000 0.543 187 V N 1.408 121.323 119.914 0.002 0.000 2.432 187 V HA 0.222 4.343 4.120 0.002 0.000 0.275 187 V C 0.324 176.437 176.094 0.032 0.000 1.043 187 V CA -0.418 61.903 62.300 0.034 0.000 0.925 187 V CB 1.671 33.524 31.823 0.050 0.000 0.985 187 V HN 0.146 nan 8.190 nan 0.000 0.466 188 D N 2.593 123.026 120.400 0.054 0.000 2.323 188 D HA 0.139 4.780 4.640 0.002 0.000 0.218 188 D C 0.168 176.513 176.300 0.076 0.000 0.973 188 D CA 0.626 54.657 54.000 0.051 0.000 0.890 188 D CB 0.843 41.667 40.800 0.040 0.000 1.011 188 D HN 0.347 nan 8.370 nan 0.000 0.499 189 L N 1.071 122.365 121.223 0.117 0.000 2.385 189 L HA 0.514 4.855 4.340 0.002 0.000 0.273 189 L C -1.702 175.189 176.870 0.035 0.000 0.990 189 L CA -0.877 54.004 54.840 0.069 0.000 0.821 189 L CB 2.025 44.187 42.059 0.170 0.000 1.279 189 L HN -0.225 nan 8.230 nan 0.000 0.412 190 L N 4.837 125.995 121.223 -0.108 0.000 2.385 190 L HA 0.675 5.016 4.340 0.002 0.000 0.273 190 L C -1.534 175.225 176.870 -0.184 0.000 0.990 190 L CA 0.040 54.861 54.840 -0.032 0.000 0.821 190 L CB 1.574 43.629 42.059 -0.008 0.000 1.279 190 L HN 0.495 nan 8.230 nan 0.000 0.412 191 F N 5.747 125.760 119.950 0.106 0.000 2.443 191 F HA 0.733 5.261 4.527 0.002 0.000 0.335 191 F C -0.370 175.473 175.800 0.072 0.000 1.104 191 F CA -0.594 57.466 58.000 0.100 0.000 1.013 191 F CB 1.849 40.946 39.000 0.161 0.000 1.136 191 F HN 0.337 nan 8.300 nan 0.000 0.470 192 L N 2.423 123.755 121.223 0.181 0.000 2.466 192 L HA 0.687 5.028 4.340 0.002 0.000 0.258 192 L C -0.841 176.045 176.870 0.026 0.000 0.973 192 L CA -0.443 54.452 54.840 0.091 0.000 0.826 192 L CB 2.404 44.474 42.059 0.019 0.000 1.372 192 L HN 0.537 nan 8.230 nan 0.000 0.409 193 S N 1.778 117.488 115.700 0.015 0.000 2.456 193 S HA 0.424 4.895 4.470 0.002 0.000 0.316 193 S C 0.637 175.215 174.600 -0.037 0.000 1.089 193 S CA -0.352 57.825 58.200 -0.038 0.000 1.101 193 S CB 1.157 64.344 63.200 -0.022 0.000 0.995 193 S HN 0.801 nan 8.310 nan 0.000 0.468 194 E N 2.672 122.823 120.200 -0.082 0.000 2.257 194 E HA -0.355 3.996 4.350 0.002 0.000 0.229 194 E C 1.599 178.183 176.600 -0.028 0.000 1.089 194 E CA 2.596 58.950 56.400 -0.076 0.000 0.947 194 E CB -0.392 29.238 29.700 -0.116 0.000 0.808 194 E HN 0.901 nan 8.360 nan 0.000 0.471 195 E N 0.589 120.781 120.200 -0.014 0.000 2.035 195 E HA -0.260 4.091 4.350 0.002 0.000 0.204 195 E C 2.132 178.762 176.600 0.050 0.000 1.025 195 E CA 1.698 58.110 56.400 0.019 0.000 0.835 195 E CB -0.260 29.457 29.700 0.029 0.000 0.764 195 E HN 0.356 nan 8.360 nan 0.000 0.457 196 E N 0.417 120.662 120.200 0.075 0.000 2.171 196 E HA -0.243 4.108 4.350 0.002 0.000 0.197 196 E C 2.027 178.677 176.600 0.082 0.000 0.997 196 E CA 0.985 57.453 56.400 0.113 0.000 0.810 196 E CB -0.184 29.606 29.700 0.150 0.000 0.738 196 E HN 0.300 nan 8.360 nan 0.000 0.467 197 A N 1.282 124.132 122.820 0.050 0.000 1.897 197 A HA -0.192 4.129 4.320 0.002 0.000 0.215 197 A C 1.911 179.559 177.584 0.106 0.000 1.181 197 A CA 1.198 53.262 52.037 0.045 0.000 0.620 197 A CB -0.203 18.778 19.000 -0.032 0.000 0.821 197 A HN 0.136 nan 8.150 nan 0.000 0.443 198 E N -0.672 119.563 120.200 0.058 0.000 2.158 198 E HA 0.013 4.364 4.350 0.002 0.000 0.191 198 E C 1.755 178.378 176.600 0.038 0.000 0.982 198 E CA 0.462 56.892 56.400 0.049 0.000 0.823 198 E CB -0.093 29.621 29.700 0.025 0.000 0.766 198 E HN 0.584 nan 8.360 nan 0.000 0.468 199 L N 0.723 121.967 121.223 0.036 0.000 2.554 199 L HA 0.017 4.358 4.340 0.002 0.000 0.226 199 L C 1.521 178.350 176.870 -0.069 0.000 1.137 199 L CA 0.406 55.251 54.840 0.008 0.000 0.863 199 L CB 0.286 42.379 42.059 0.057 0.000 0.985 199 L HN 0.135 nan 8.230 nan 0.000 0.451 200 L N -2.816 118.391 121.223 -0.027 0.000 2.766 200 L HA 0.148 4.489 4.340 0.002 0.000 0.241 200 L C 0.161 176.912 176.870 -0.199 0.000 1.080 200 L CA -0.028 54.742 54.840 -0.117 0.000 0.909 200 L CB 0.559 42.628 42.059 0.017 0.000 1.277 200 L HN 0.013 nan 8.230 nan 0.000 0.510 201 F N 0.174 120.063 119.950 -0.102 0.000 2.841 201 F HA 0.463 4.991 4.527 0.002 0.000 0.358 201 F C 1.413 177.179 175.800 -0.057 0.000 1.261 201 F CA -0.014 57.939 58.000 -0.078 0.000 1.233 201 F CB 0.400 39.357 39.000 -0.070 0.000 1.008 201 F HN 0.057 nan 8.300 nan 0.000 0.507 202 G N 1.525 110.350 108.800 0.042 0.000 4.843 202 G HA2 -0.354 3.607 3.960 0.002 0.000 0.229 202 G HA3 -0.354 3.607 3.960 0.002 0.000 0.229 202 G C 0.662 175.587 174.900 0.042 0.000 1.384 202 G CA 0.583 45.697 45.100 0.024 0.000 1.133 202 G HN 0.395 nan 8.290 nan 0.000 0.741 203 R N -0.780 119.756 120.500 0.060 0.000 2.744 203 R HA 0.593 4.934 4.340 0.002 0.000 0.279 203 R C 1.359 177.687 176.300 0.047 0.000 0.977 203 R CA -0.492 55.635 56.100 0.045 0.000 0.906 203 R CB 2.064 32.386 30.300 0.037 0.000 1.197 203 R HN 0.136 nan 8.270 nan 0.000 0.463 204 V N 1.663 121.592 119.914 0.025 0.000 2.233 204 V HA -0.357 3.764 4.120 0.002 0.000 0.252 204 V C 1.628 177.721 176.094 -0.002 0.000 1.063 204 V CA 2.321 64.623 62.300 0.003 0.000 1.032 204 V CB -0.595 31.226 31.823 -0.003 0.000 0.645 204 V HN 0.768 nan 8.190 nan 0.000 0.446 205 E N 0.182 120.399 120.200 0.028 0.000 2.114 205 E HA -0.285 4.066 4.350 0.002 0.000 0.199 205 E C 2.123 178.713 176.600 -0.017 0.000 1.008 205 E CA 1.676 58.083 56.400 0.012 0.000 0.810 205 E CB -0.381 29.341 29.700 0.035 0.000 0.739 205 E HN 0.754 nan 8.360 nan 0.000 0.456 206 E N 1.000 121.213 120.200 0.021 0.000 2.031 206 E HA -0.166 4.185 4.350 0.002 0.000 0.193 206 E C 1.966 178.581 176.600 0.025 0.000 0.994 206 E CA 1.667 58.099 56.400 0.053 0.000 0.800 206 E CB -0.648 29.120 29.700 0.113 0.000 0.752 206 E HN 0.193 nan 8.360 nan 0.000 0.447 207 A N 0.829 123.634 122.820 -0.025 0.000 1.903 207 A HA -0.217 4.105 4.320 0.002 0.000 0.219 207 A C 2.460 179.782 177.584 -0.438 0.000 1.191 207 A CA 1.996 53.750 52.037 -0.473 0.000 0.638 207 A CB -1.061 17.685 19.000 -0.424 0.000 0.823 207 A HN 0.381 nan 8.150 nan 0.000 0.451 208 L N -1.298 119.769 121.223 -0.260 0.000 2.079 208 L HA -0.220 4.121 4.340 0.002 0.000 0.210 208 L C 2.884 179.616 176.870 -0.230 0.000 1.081 208 L CA 1.651 56.328 54.840 -0.272 0.000 0.752 208 L CB -0.481 41.402 42.059 -0.294 0.000 0.896 208 L HN 0.361 nan 8.230 nan 0.000 0.433 209 R N -0.167 120.240 120.500 -0.155 0.000 2.066 209 R HA -0.108 4.233 4.340 0.002 0.000 0.232 209 R C 2.486 178.735 176.300 -0.085 0.000 1.131 209 R CA 1.331 57.371 56.100 -0.101 0.000 0.955 209 R CB -0.562 29.709 30.300 -0.048 0.000 0.851 209 R HN 0.356 nan 8.270 nan 0.000 0.432 210 A N 1.538 124.316 122.820 -0.069 0.000 1.877 210 A HA -0.092 4.229 4.320 0.002 0.000 0.216 210 A C 1.613 179.141 177.584 -0.093 0.000 1.186 210 A CA 1.087 53.114 52.037 -0.017 0.000 0.620 210 A CB -0.466 18.645 19.000 0.184 0.000 0.822 210 A HN 0.196 nan 8.150 nan 0.000 0.443 211 L N 1.144 122.235 121.223 -0.220 0.000 2.934 211 L HA 0.169 4.510 4.340 0.002 0.000 0.233 211 L C -0.030 176.755 176.870 -0.141 0.000 1.358 211 L CA -0.358 54.370 54.840 -0.186 0.000 1.233 211 L CB -0.086 41.811 42.059 -0.271 0.000 1.594 211 L HN 0.043 nan 8.230 nan 0.000 0.439 212 S N 1.829 117.464 115.700 -0.108 0.000 3.900 212 S HA 0.418 4.889 4.470 0.002 0.000 0.248 212 S C 0.784 175.349 174.600 -0.058 0.000 1.310 212 S CA -0.434 57.710 58.200 -0.093 0.000 0.915 212 S CB 0.064 63.217 63.200 -0.080 0.000 1.588 212 S HN 0.530 nan 8.310 nan 0.000 0.472 213 A N 3.974 126.763 122.820 -0.051 0.000 2.264 213 A HA 0.628 4.949 4.320 0.002 0.000 0.304 213 A C -1.214 176.366 177.584 -0.007 0.000 1.100 213 A CA -1.697 50.326 52.037 -0.023 0.000 0.839 213 A CB -0.073 18.919 19.000 -0.014 0.000 1.121 213 A HN 0.369 nan 8.150 nan 0.000 0.496 214 P HA -0.179 nan 4.420 nan 0.000 0.216 214 P C 0.243 177.568 177.300 0.042 0.000 1.167 214 P CA 1.596 64.708 63.100 0.021 0.000 0.914 214 P CB 0.256 31.969 31.700 0.021 0.000 0.793 215 E N -0.935 119.293 120.200 0.045 0.000 2.210 215 E HA 0.446 4.797 4.350 0.002 0.000 0.266 215 E C -1.632 174.971 176.600 0.005 0.000 0.883 215 E CA -0.710 55.725 56.400 0.059 0.000 0.761 215 E CB 1.483 31.237 29.700 0.090 0.000 1.156 215 E HN -0.310 nan 8.360 nan 0.000 0.412 216 V N 4.045 123.979 119.914 0.035 0.000 2.709 216 V HA 0.448 4.569 4.120 0.002 0.000 0.308 216 V C -0.737 175.376 176.094 0.032 0.000 1.062 216 V CA -0.822 61.473 62.300 -0.008 0.000 0.901 216 V CB 1.998 33.832 31.823 0.018 0.000 1.003 216 V HN 0.478 nan 8.190 nan 0.000 0.425 217 V N 5.083 124.907 119.914 -0.150 0.000 2.540 217 V HA 0.534 4.655 4.120 0.002 0.000 0.302 217 V C -0.785 175.323 176.094 0.024 0.000 1.035 217 V CA -0.660 61.572 62.300 -0.113 0.000 0.873 217 V CB 1.922 33.487 31.823 -0.430 0.000 0.992 217 V HN 0.660 nan 8.190 nan 0.000 0.428 218 L N 5.340 126.615 121.223 0.087 0.000 2.295 218 L HA 0.525 4.866 4.340 0.002 0.000 0.281 218 L C 0.046 176.827 176.870 -0.149 0.000 1.018 218 L CA -0.211 54.634 54.840 0.009 0.000 0.841 218 L CB 0.914 43.022 42.059 0.080 0.000 1.218 218 L HN 0.554 nan 8.230 nan 0.000 0.424 219 K N 5.354 125.625 120.400 -0.217 0.000 2.349 219 K HA 0.272 4.593 4.320 0.002 0.000 0.288 219 K C -0.019 176.403 176.600 -0.296 0.000 1.058 219 K CA 0.109 56.151 56.287 -0.408 0.000 0.953 219 K CB 0.578 32.796 32.500 -0.470 0.000 0.997 219 K HN 0.514 nan 8.250 nan 0.000 0.477 220 R N 2.552 122.864 120.500 -0.313 0.000 2.935 220 R HA 0.147 4.488 4.340 0.002 0.000 0.354 220 R C 0.618 176.798 176.300 -0.200 0.000 1.206 220 R CA -0.173 55.761 56.100 -0.277 0.000 1.082 220 R CB 0.529 30.599 30.300 -0.384 0.000 1.431 220 R HN 0.976 nan 8.270 nan 0.000 0.582 221 G N 1.285 109.973 108.800 -0.186 0.000 2.578 221 G HA2 -0.425 3.536 3.960 0.002 0.000 0.275 221 G HA3 -0.425 3.536 3.960 0.002 0.000 0.275 221 G C 0.774 175.612 174.900 -0.104 0.000 1.271 221 G CA -0.035 44.988 45.100 -0.129 0.000 0.941 221 G HN 0.391 nan 8.290 nan 0.000 0.564 222 A N -0.398 122.386 122.820 -0.059 0.000 2.248 222 A HA 0.149 4.470 4.320 0.002 0.000 0.210 222 A C 1.958 179.523 177.584 -0.030 0.000 1.174 222 A CA 2.196 54.218 52.037 -0.024 0.000 0.750 222 A CB -0.243 18.755 19.000 -0.005 0.000 0.780 222 A HN 0.679 nan 8.150 nan 0.000 0.478 223 K N 0.011 120.374 120.400 -0.062 0.000 2.546 223 K HA 0.276 4.597 4.320 0.002 0.000 0.198 223 K C 0.930 177.482 176.600 -0.079 0.000 1.028 223 K CA 0.612 56.861 56.287 -0.064 0.000 1.150 223 K CB -0.709 31.740 32.500 -0.086 0.000 0.876 223 K HN 0.619 nan 8.250 nan 0.000 0.508 224 G N 0.168 108.929 108.800 -0.066 0.000 2.513 224 G HA2 -0.007 3.954 3.960 0.002 0.000 0.227 224 G HA3 -0.007 3.954 3.960 0.002 0.000 0.227 224 G C -0.993 173.839 174.900 -0.114 0.000 1.176 224 G CA -0.382 44.690 45.100 -0.046 0.000 0.967 224 G HN 0.731 nan 8.290 nan 0.000 0.587 225 A N -2.508 120.251 122.820 -0.102 0.000 2.606 225 A HA 0.512 4.833 4.320 0.002 0.000 0.303 225 A C -1.612 176.004 177.584 0.054 0.000 0.981 225 A CA 0.269 52.221 52.037 -0.142 0.000 0.742 225 A CB 0.155 19.104 19.000 -0.086 0.000 1.229 225 A HN 1.794 nan 8.150 nan 0.000 0.401 226 W N 0.959 122.210 121.300 -0.081 0.000 2.520 226 W HA 0.710 5.371 4.660 0.002 0.000 0.323 226 W C 0.267 176.587 176.519 -0.332 0.000 1.062 226 W CA -0.868 56.322 57.345 -0.260 0.000 1.215 226 W CB 1.923 31.136 29.460 -0.410 0.000 1.340 226 W HN 1.333 nan 8.180 nan 0.000 0.516 227 A N 3.501 126.228 122.820 -0.156 0.000 2.287 227 A HA 0.755 5.077 4.320 0.002 0.000 0.317 227 A C -1.555 175.840 177.584 -0.314 0.000 1.220 227 A CA -0.548 51.409 52.037 -0.133 0.000 0.835 227 A CB 0.095 19.116 19.000 0.035 0.000 1.180 227 A HN 0.382 nan 8.150 nan 0.000 0.500 228 F N 3.045 123.025 119.950 0.050 0.000 2.329 228 F HA 0.429 4.957 4.527 0.002 0.000 0.362 228 F C -0.064 175.749 175.800 0.021 0.000 1.113 228 F CA -0.353 57.664 58.000 0.029 0.000 1.212 228 F CB 1.304 40.316 39.000 0.021 0.000 1.509 228 F HN 0.277 nan 8.300 nan 0.000 0.546 229 V N 0.943 120.936 119.914 0.132 0.000 2.487 229 V HA 0.326 4.447 4.120 0.002 0.000 0.298 229 V C -0.333 175.807 176.094 0.076 0.000 1.028 229 V CA -1.517 60.846 62.300 0.104 0.000 0.860 229 V CB 1.586 33.463 31.823 0.091 0.000 0.991 229 V HN 0.614 nan 8.190 nan 0.000 0.427 230 D N 3.959 124.399 120.400 0.067 0.000 3.038 230 D HA -0.194 4.447 4.640 0.002 0.000 0.229 230 D C 1.436 177.763 176.300 0.045 0.000 1.182 230 D CA 1.266 55.293 54.000 0.046 0.000 0.852 230 D CB -0.614 40.206 40.800 0.033 0.000 0.932 230 D HN 1.482 nan 8.370 nan 0.000 0.406 231 G N 1.350 110.184 108.800 0.056 0.000 2.335 231 G HA2 -0.419 3.542 3.960 0.002 0.000 0.264 231 G HA3 -0.419 3.542 3.960 0.002 0.000 0.264 231 G C 0.620 175.555 174.900 0.058 0.000 0.990 231 G CA 1.418 46.551 45.100 0.054 0.000 0.647 231 G HN 0.652 nan 8.290 nan 0.000 0.561 232 R N 0.137 120.665 120.500 0.046 0.000 2.500 232 R HA 0.613 4.954 4.340 0.002 0.000 0.275 232 R C 0.372 176.663 176.300 -0.016 0.000 1.051 232 R CA -0.703 55.402 56.100 0.008 0.000 1.088 232 R CB 0.439 30.737 30.300 -0.003 0.000 1.063 232 R HN 0.185 nan 8.270 nan 0.000 0.511 233 R N 4.178 124.610 120.500 -0.113 0.000 2.487 233 R HA 0.241 4.582 4.340 0.002 0.000 0.288 233 R C -1.552 174.548 176.300 -0.332 0.000 1.394 233 R CA -0.506 55.400 56.100 -0.323 0.000 1.155 233 R CB 1.046 31.115 30.300 -0.384 0.000 1.156 233 R HN 0.406 nan 8.270 nan 0.000 0.553 234 V N 3.339 123.109 119.914 -0.241 0.000 2.530 234 V HA 0.157 4.278 4.120 0.002 0.000 0.282 234 V C 0.376 176.404 176.094 -0.110 0.000 1.048 234 V CA -0.121 62.098 62.300 -0.134 0.000 0.997 234 V CB 1.374 33.175 31.823 -0.037 0.000 0.987 234 V HN 0.662 nan 8.190 nan 0.000 0.477 235 E N 3.142 123.315 120.200 -0.045 0.000 2.151 235 E HA 0.593 4.945 4.350 0.002 0.000 0.275 235 E C -0.097 176.583 176.600 0.133 0.000 0.936 235 E CA -0.537 55.945 56.400 0.138 0.000 0.777 235 E CB 1.551 31.304 29.700 0.089 0.000 1.108 235 E HN 0.825 nan 8.360 nan 0.000 0.401 236 G N 2.560 111.464 108.800 0.172 0.000 2.422 236 G HA2 0.215 4.176 3.960 0.002 0.000 0.317 236 G HA3 0.215 4.176 3.960 0.002 0.000 0.317 236 G C -0.432 174.528 174.900 0.099 0.000 1.210 236 G CA -0.551 44.627 45.100 0.131 0.000 0.930 236 G HN 0.444 nan 8.290 nan 0.000 0.468 237 S N 0.845 116.569 115.700 0.040 0.000 2.560 237 S HA 0.512 4.984 4.470 0.002 0.000 0.284 237 S C 0.866 175.446 174.600 -0.032 0.000 1.327 237 S CA 0.010 58.202 58.200 -0.013 0.000 1.055 237 S CB 0.393 63.550 63.200 -0.072 0.000 0.868 237 S HN 1.104 nan 8.310 nan 0.000 0.506 238 A N 4.091 126.900 122.820 -0.019 0.000 2.293 238 A HA 0.674 4.995 4.320 0.002 0.000 0.302 238 A C -0.469 177.106 177.584 -0.016 0.000 1.119 238 A CA -0.572 51.489 52.037 0.040 0.000 0.823 238 A CB 0.157 19.187 19.000 0.050 0.000 1.097 238 A HN 0.764 nan 8.150 nan 0.000 0.491 239 F N 0.607 120.584 119.950 0.045 0.000 2.389 239 F HA 0.459 4.987 4.527 0.002 0.000 0.337 239 F C 1.014 176.827 175.800 0.022 0.000 1.112 239 F CA 0.570 58.591 58.000 0.035 0.000 1.192 239 F CB 1.291 40.315 39.000 0.040 0.000 1.185 239 F HN 0.617 nan 8.300 nan 0.000 0.552 240 A N 3.212 126.152 122.820 0.201 0.000 2.260 240 A HA 0.711 5.032 4.320 0.002 0.000 0.314 240 A C -0.903 176.745 177.584 0.107 0.000 1.257 240 A CA -0.546 51.559 52.037 0.114 0.000 0.871 240 A CB 1.059 20.098 19.000 0.064 0.000 1.166 240 A HN 0.688 nan 8.150 nan 0.000 0.522 241 V N 1.871 121.830 119.914 0.075 0.000 3.282 241 V HA 0.462 4.583 4.120 0.002 0.000 0.295 241 V C -1.237 174.876 176.094 0.032 0.000 1.451 241 V CA -0.662 61.668 62.300 0.051 0.000 1.062 241 V CB 2.186 34.035 31.823 0.044 0.000 1.128 241 V HN 1.026 nan 8.190 nan 0.000 0.456 242 E N 2.281 122.493 120.200 0.021 0.000 2.229 242 E HA 0.655 5.006 4.350 0.002 0.000 0.283 242 E C 0.169 176.770 176.600 0.003 0.000 1.030 242 E CA 0.194 56.602 56.400 0.014 0.000 0.836 242 E CB 1.506 31.215 29.700 0.015 0.000 1.068 242 E HN 1.100 nan 8.360 nan 0.000 0.401 243 A N 4.936 127.756 122.820 -0.001 0.000 2.569 243 A HA 0.024 4.345 4.320 0.002 0.000 0.288 243 A C 0.864 178.432 177.584 -0.027 0.000 1.326 243 A CA -0.045 51.983 52.037 -0.016 0.000 0.978 243 A CB -0.543 18.448 19.000 -0.014 0.000 1.054 243 A HN 0.588 nan 8.150 nan 0.000 0.558 244 V N 2.140 122.028 119.914 -0.044 0.000 2.267 244 V HA -0.046 4.076 4.120 0.002 0.000 0.228 244 V C 0.940 176.951 176.094 -0.138 0.000 1.040 244 V CA 1.973 64.236 62.300 -0.062 0.000 1.010 244 V CB -0.328 31.456 31.823 -0.064 0.000 0.649 244 V HN 0.879 nan 8.190 nan 0.000 0.464 245 D N 0.102 120.392 120.400 -0.182 0.000 2.440 245 D HA 0.300 4.941 4.640 0.002 0.000 0.252 245 D C -1.961 174.226 176.300 -0.188 0.000 1.180 245 D CA -1.883 51.953 54.000 -0.274 0.000 0.894 245 D CB 1.811 42.399 40.800 -0.353 0.000 1.111 245 D HN 0.117 nan 8.370 nan 0.000 0.544 246 P HA -0.033 nan 4.420 nan 0.000 0.237 246 P C 0.402 177.653 177.300 -0.082 0.000 1.178 246 P CA -0.076 62.967 63.100 -0.094 0.000 0.766 246 P CB 0.353 32.010 31.700 -0.071 0.000 0.876 247 V N 1.281 121.135 119.914 -0.100 0.000 2.814 247 V HA 0.112 4.233 4.120 0.002 0.000 0.307 247 V C 1.897 177.966 176.094 -0.043 0.000 1.089 247 V CA 1.865 64.133 62.300 -0.054 0.000 1.212 247 V CB -0.699 31.098 31.823 -0.043 0.000 0.912 247 V HN 0.512 nan 8.190 nan 0.000 0.497 248 G N 3.785 112.580 108.800 -0.008 0.000 2.187 248 G HA2 -0.285 3.676 3.960 0.002 0.000 0.261 248 G HA3 -0.285 3.676 3.960 0.002 0.000 0.261 248 G C 0.974 175.867 174.900 -0.011 0.000 1.000 248 G CA 0.681 45.780 45.100 -0.001 0.000 0.718 248 G HN 1.481 nan 8.290 nan 0.000 0.519 249 A N -0.322 122.487 122.820 -0.019 0.000 2.014 249 A HA 0.375 4.696 4.320 0.002 0.000 0.218 249 A C 2.624 180.225 177.584 0.030 0.000 1.163 249 A CA 1.977 54.009 52.037 -0.008 0.000 0.652 249 A CB -0.561 18.426 19.000 -0.021 0.000 0.808 249 A HN 1.448 nan 8.150 nan 0.000 0.449 250 G N -0.093 108.717 108.800 0.017 0.000 2.403 250 G HA2 -0.143 3.818 3.960 0.002 0.000 0.216 250 G HA3 -0.143 3.818 3.960 0.002 0.000 0.216 250 G C 1.029 175.956 174.900 0.045 0.000 1.154 250 G CA 1.033 46.159 45.100 0.045 0.000 0.784 250 G HN 0.459 nan 8.290 nan 0.000 0.538 251 D N 1.332 121.729 120.400 -0.005 0.000 2.144 251 D HA -0.024 4.617 4.640 0.002 0.000 0.200 251 D C 2.756 178.991 176.300 -0.108 0.000 0.978 251 D CA 1.134 55.093 54.000 -0.067 0.000 0.833 251 D CB -0.421 40.355 40.800 -0.041 0.000 0.961 251 D HN 0.312 nan 8.370 nan 0.000 0.470 252 A N 0.536 123.327 122.820 -0.048 0.000 1.902 252 A HA -0.145 4.176 4.320 0.002 0.000 0.217 252 A C 2.053 179.604 177.584 -0.055 0.000 1.181 252 A CA 0.856 52.855 52.037 -0.063 0.000 0.623 252 A CB -0.917 18.066 19.000 -0.029 0.000 0.818 252 A HN 0.207 nan 8.150 nan 0.000 0.443 253 F N 1.069 120.950 119.950 -0.115 0.000 2.010 253 F HA -0.115 4.413 4.527 0.002 0.000 0.296 253 F C 2.615 178.334 175.800 -0.136 0.000 1.146 253 F CA 1.572 59.529 58.000 -0.072 0.000 1.181 253 F CB -0.811 38.168 39.000 -0.036 0.000 0.965 253 F HN 0.259 nan 8.300 nan 0.000 0.480 254 A N 0.620 123.254 122.820 -0.309 0.000 1.915 254 A HA -0.266 4.055 4.320 0.002 0.000 0.220 254 A C 2.408 179.639 177.584 -0.590 0.000 1.198 254 A CA 2.723 54.239 52.037 -0.868 0.000 0.647 254 A CB -1.802 16.512 19.000 -1.144 0.000 0.825 254 A HN 0.664 nan 8.150 nan 0.000 0.456 255 A N -0.947 121.597 122.820 -0.459 0.000 1.933 255 A HA 0.115 4.436 4.320 0.002 0.000 0.218 255 A C 2.415 179.780 177.584 -0.364 0.000 1.175 255 A CA 2.029 53.826 52.037 -0.401 0.000 0.628 255 A CB -1.317 17.493 19.000 -0.317 0.000 0.814 255 A HN 0.830 nan 8.150 nan 0.000 0.444 256 G N -2.214 106.399 108.800 -0.311 0.000 2.403 256 G HA2 -0.177 3.784 3.960 0.002 0.000 0.216 256 G HA3 -0.177 3.784 3.960 0.002 0.000 0.216 256 G C 1.515 176.248 174.900 -0.279 0.000 1.154 256 G CA 1.103 46.041 45.100 -0.270 0.000 0.784 256 G HN 0.508 nan 8.290 nan 0.000 0.538 257 Y N 1.064 121.117 120.300 -0.411 0.000 2.114 257 Y HA -0.015 4.536 4.550 0.002 0.000 0.284 257 Y C 2.691 178.424 175.900 -0.279 0.000 1.143 257 Y CA 1.287 59.213 58.100 -0.289 0.000 1.135 257 Y CB -0.350 38.028 38.460 -0.136 0.000 0.980 257 Y HN 0.081 nan 8.280 nan 0.000 0.499 258 L N -0.653 120.413 121.223 -0.261 0.000 2.013 258 L HA -0.320 4.021 4.340 0.002 0.000 0.212 258 L C 2.725 179.192 176.870 -0.671 0.000 1.073 258 L CA 1.343 55.855 54.840 -0.547 0.000 0.753 258 L CB -1.050 40.663 42.059 -0.576 0.000 0.890 258 L HN 0.342 nan 8.230 nan 0.000 0.432 259 A N 0.259 122.678 122.820 -0.668 0.000 1.865 259 A HA -0.179 4.142 4.320 0.002 0.000 0.217 259 A C 2.412 179.428 177.584 -0.948 0.000 1.191 259 A CA 1.945 53.369 52.037 -1.022 0.000 0.623 259 A CB -1.449 16.868 19.000 -1.137 0.000 0.826 259 A HN 0.458 nan 8.150 nan 0.000 0.444 260 G N -0.586 107.918 108.800 -0.494 0.000 2.469 260 G HA2 -0.054 3.907 3.960 0.002 0.000 0.219 260 G HA3 -0.054 3.907 3.960 0.002 0.000 0.219 260 G C 1.761 176.564 174.900 -0.161 0.000 1.150 260 G CA 1.867 46.886 45.100 -0.134 0.000 0.763 260 G HN 0.853 nan 8.290 nan 0.000 0.561 261 A N 0.357 122.969 122.820 -0.347 0.000 1.834 261 A HA -0.029 4.292 4.320 0.002 0.000 0.216 261 A C 2.577 180.127 177.584 -0.055 0.000 1.203 261 A CA 2.253 54.164 52.037 -0.211 0.000 0.621 261 A CB -1.066 17.765 19.000 -0.282 0.000 0.841 261 A HN 0.402 nan 8.150 nan 0.000 0.446 262 V N -1.748 118.059 119.914 -0.179 0.000 2.527 262 V HA -0.273 3.848 4.120 0.002 0.000 0.255 262 V C 2.032 178.160 176.094 0.056 0.000 1.081 262 V CA 1.681 63.956 62.300 -0.040 0.000 1.092 262 V CB -0.958 30.704 31.823 -0.268 0.000 0.673 262 V HN 0.763 nan 8.190 nan 0.000 0.470 263 W N -0.131 121.148 121.300 -0.035 0.000 3.256 263 W HA 0.448 5.109 4.660 0.002 0.000 0.269 263 W C 1.660 178.165 176.519 -0.023 0.000 1.310 263 W CA 0.271 57.598 57.345 -0.030 0.000 1.673 263 W CB -0.993 28.436 29.460 -0.051 0.000 1.115 263 W HN 0.439 nan 8.180 nan 0.000 0.686 264 G N 1.762 110.666 108.800 0.173 0.000 2.314 264 G HA2 -0.291 3.670 3.960 0.002 0.000 0.292 264 G HA3 -0.291 3.670 3.960 0.002 0.000 0.292 264 G C -0.122 174.822 174.900 0.074 0.000 1.059 264 G CA 0.016 45.177 45.100 0.102 0.000 0.982 264 G HN 0.177 nan 8.290 nan 0.000 0.505 265 L N -0.677 120.582 121.223 0.060 0.000 2.365 265 L HA 0.546 4.887 4.340 0.002 0.000 0.267 265 L C -1.598 175.273 176.870 0.002 0.000 1.033 265 L CA -2.574 52.287 54.840 0.036 0.000 0.802 265 L CB 1.232 43.324 42.059 0.055 0.000 1.267 265 L HN -0.059 nan 8.230 nan 0.000 0.457 266 P HA 0.011 nan 4.420 nan 0.000 0.271 266 P C 0.756 178.056 177.300 -0.002 0.000 1.233 266 P CA -0.395 62.710 63.100 0.007 0.000 0.789 266 P CB 0.588 32.297 31.700 0.014 0.000 0.951 267 V N 0.740 120.665 119.914 0.019 0.000 2.490 267 V HA -0.225 3.896 4.120 0.002 0.000 0.250 267 V C 1.799 177.939 176.094 0.077 0.000 1.061 267 V CA 1.914 64.246 62.300 0.053 0.000 1.064 267 V CB -1.268 30.603 31.823 0.079 0.000 0.670 267 V HN 0.544 nan 8.190 nan 0.000 0.461 268 E N 0.234 120.466 120.200 0.053 0.000 2.204 268 E HA -0.160 4.191 4.350 0.002 0.000 0.194 268 E C 2.145 178.786 176.600 0.068 0.000 0.989 268 E CA 1.062 57.498 56.400 0.060 0.000 0.824 268 E CB -0.180 29.542 29.700 0.037 0.000 0.756 268 E HN 0.709 nan 8.360 nan 0.000 0.477 269 E N 0.061 120.289 120.200 0.047 0.000 2.140 269 E HA 0.042 4.393 4.350 0.002 0.000 0.191 269 E C 2.020 178.643 176.600 0.039 0.000 0.973 269 E CA 0.164 56.595 56.400 0.051 0.000 0.829 269 E CB 0.024 29.747 29.700 0.040 0.000 0.781 269 E HN 0.126 nan 8.360 nan 0.000 0.466 270 R N 0.807 121.285 120.500 -0.036 0.000 2.081 270 R HA -0.091 4.251 4.340 0.002 0.000 0.235 270 R C 2.424 178.780 176.300 0.093 0.000 1.131 270 R CA 1.019 57.013 56.100 -0.178 0.000 0.960 270 R CB -0.341 29.529 30.300 -0.716 0.000 0.856 270 R HN 0.139 nan 8.270 nan 0.000 0.436 271 L N 0.122 121.492 121.223 0.245 0.000 2.093 271 L HA -0.148 4.193 4.340 0.002 0.000 0.208 271 L C 2.834 179.857 176.870 0.255 0.000 1.085 271 L CA 1.172 56.200 54.840 0.313 0.000 0.755 271 L CB -0.333 41.895 42.059 0.281 0.000 0.904 271 L HN 0.186 nan 8.230 nan 0.000 0.435 272 R N -0.006 120.614 120.500 0.200 0.000 2.062 272 R HA -0.182 4.159 4.340 0.002 0.000 0.231 272 R C 2.322 178.786 176.300 0.275 0.000 1.136 272 R CA 1.461 57.712 56.100 0.251 0.000 0.948 272 R CB -0.358 30.058 30.300 0.193 0.000 0.845 272 R HN 0.167 nan 8.270 nan 0.000 0.430 273 L N 0.889 122.205 121.223 0.154 0.000 1.989 273 L HA -0.160 4.181 4.340 0.002 0.000 0.211 273 L C 2.337 179.222 176.870 0.025 0.000 1.071 273 L CA 2.278 57.167 54.840 0.082 0.000 0.749 273 L CB -0.783 41.303 42.059 0.046 0.000 0.890 273 L HN 0.237 nan 8.230 nan 0.000 0.431 274 A N -0.676 122.127 122.820 -0.027 0.000 1.908 274 A HA -0.239 4.082 4.320 0.002 0.000 0.218 274 A C 2.113 179.756 177.584 0.098 0.000 1.181 274 A CA 1.999 53.877 52.037 -0.264 0.000 0.627 274 A CB -0.791 17.723 19.000 -0.810 0.000 0.818 274 A HN 0.635 nan 8.150 nan 0.000 0.445 275 N N -0.404 118.505 118.700 0.348 0.000 2.188 275 N HA -0.107 4.634 4.740 0.002 0.000 0.184 275 N C 1.704 177.409 175.510 0.326 0.000 1.018 275 N CA 1.410 54.751 53.050 0.485 0.000 0.858 275 N CB -0.436 38.358 38.487 0.512 0.000 0.989 275 N HN 0.510 nan 8.380 nan 0.000 0.426 276 L N 1.060 122.359 121.223 0.126 0.000 2.027 276 L HA -0.081 4.260 4.340 0.002 0.000 0.206 276 L C 2.141 178.880 176.870 -0.219 0.000 1.074 276 L CA 1.086 55.681 54.840 -0.410 0.000 0.745 276 L CB -0.370 41.429 42.059 -0.433 0.000 0.898 276 L HN 0.062 nan 8.230 nan 0.000 0.433 277 L N -0.251 120.916 121.223 -0.092 0.000 1.989 277 L HA -0.192 4.149 4.340 0.002 0.000 0.211 277 L C 2.609 179.461 176.870 -0.030 0.000 1.071 277 L CA 2.188 56.982 54.840 -0.078 0.000 0.749 277 L CB -2.136 39.873 42.059 -0.083 0.000 0.890 277 L HN 0.508 nan 8.230 nan 0.000 0.431 278 G N -0.682 108.159 108.800 0.069 0.000 2.476 278 G HA2 -0.287 3.674 3.960 0.002 0.000 0.218 278 G HA3 -0.287 3.674 3.960 0.002 0.000 0.218 278 G C 1.735 176.657 174.900 0.037 0.000 1.164 278 G CA 1.165 46.326 45.100 0.102 0.000 0.768 278 G HN 0.528 nan 8.290 nan 0.000 0.560 279 A N 0.306 123.146 122.820 0.033 0.000 1.898 279 A HA 0.013 4.334 4.320 0.002 0.000 0.216 279 A C 2.638 180.197 177.584 -0.041 0.000 1.181 279 A CA 2.253 54.297 52.037 0.011 0.000 0.620 279 A CB -0.854 18.173 19.000 0.045 0.000 0.819 279 A HN 0.415 nan 8.150 nan 0.000 0.442 280 S N -0.772 114.877 115.700 -0.085 0.000 2.383 280 S HA -0.130 4.341 4.470 0.002 0.000 0.229 280 S C 1.896 176.452 174.600 -0.072 0.000 1.030 280 S CA 1.677 59.824 58.200 -0.088 0.000 1.002 280 S CB -0.406 62.727 63.200 -0.111 0.000 0.829 280 S HN 0.294 nan 8.310 nan 0.000 0.467 281 V N 1.735 121.608 119.914 -0.067 0.000 2.323 281 V HA -0.035 4.086 4.120 0.002 0.000 0.244 281 V C 2.769 178.814 176.094 -0.082 0.000 1.041 281 V CA 1.593 63.847 62.300 -0.077 0.000 1.025 281 V CB -1.227 30.558 31.823 -0.062 0.000 0.656 281 V HN 0.578 nan 8.190 nan 0.000 0.451 282 A N -0.065 122.719 122.820 -0.060 0.000 2.076 282 A HA -0.078 4.243 4.320 0.002 0.000 0.220 282 A C 2.148 179.692 177.584 -0.067 0.000 1.160 282 A CA 1.825 53.823 52.037 -0.064 0.000 0.653 282 A CB -0.517 18.460 19.000 -0.039 0.000 0.801 282 A HN 0.600 nan 8.150 nan 0.000 0.455 283 A N -0.991 121.796 122.820 -0.056 0.000 2.251 283 A HA 0.450 4.771 4.320 0.002 0.000 0.209 283 A C 0.902 178.450 177.584 -0.060 0.000 1.187 283 A CA 0.571 52.581 52.037 -0.046 0.000 0.823 283 A CB -0.089 18.893 19.000 -0.030 0.000 0.846 283 A HN 0.334 nan 8.150 nan 0.000 0.486 284 S N -0.499 115.147 115.700 -0.089 0.000 2.600 284 S HA 0.588 5.059 4.470 0.002 0.000 0.300 284 S C -0.022 174.471 174.600 -0.178 0.000 1.087 284 S CA -0.851 57.283 58.200 -0.111 0.000 0.965 284 S CB 1.400 64.534 63.200 -0.111 0.000 1.089 284 S HN 0.517 nan 8.310 nan 0.000 0.496 285 R N 0.415 120.795 120.500 -0.199 0.000 2.580 285 R HA 0.676 5.017 4.340 0.002 0.000 0.267 285 R C 0.967 176.868 176.300 -0.664 0.000 1.125 285 R CA 0.113 56.018 56.100 -0.326 0.000 1.188 285 R CB -0.069 30.139 30.300 -0.155 0.000 1.155 285 R HN 0.990 nan 8.270 nan 0.000 0.586 286 G N 0.699 108.797 108.800 -1.170 0.000 2.584 286 G HA2 -0.267 3.695 3.960 0.002 0.000 0.229 286 G HA3 -0.267 3.695 3.960 0.002 0.000 0.229 286 G C -0.453 174.048 174.900 -0.665 0.000 1.320 286 G CA 0.249 44.348 45.100 -1.667 0.000 0.891 286 G HN 0.624 nan 8.290 nan 0.000 0.573 287 D N -0.463 119.664 120.400 -0.455 0.000 2.431 287 D HA 0.182 4.823 4.640 0.002 0.000 0.227 287 D C 1.498 177.746 176.300 -0.088 0.000 1.030 287 D CA 1.538 55.441 54.000 -0.161 0.000 0.897 287 D CB 0.036 40.861 40.800 0.043 0.000 1.058 287 D HN 0.732 nan 8.370 nan 0.000 0.500 288 H N -1.599 117.385 119.070 -0.144 0.000 3.109 288 H HA 0.291 4.848 4.556 0.002 0.000 0.248 288 H C 0.408 175.659 175.328 -0.128 0.000 1.177 288 H CA -0.063 55.908 56.048 -0.129 0.000 0.977 288 H CB 0.278 29.969 29.762 -0.119 0.000 2.165 288 H HN -0.127 nan 8.280 nan 0.000 0.693 289 E N 1.878 121.849 120.200 -0.382 0.000 2.118 289 E HA -0.065 4.286 4.350 0.002 0.000 0.195 289 E C 2.125 178.650 176.600 -0.125 0.000 0.992 289 E CA 1.341 57.593 56.400 -0.247 0.000 0.804 289 E CB -0.339 29.223 29.700 -0.230 0.000 0.741 289 E HN 0.673 nan 8.360 nan 0.000 0.458 290 G N 0.939 109.665 108.800 -0.125 0.000 2.744 290 G HA2 0.103 4.064 3.960 0.002 0.000 0.211 290 G HA3 0.103 4.064 3.960 0.002 0.000 0.211 290 G C 0.667 175.509 174.900 -0.097 0.000 1.143 290 G CA 0.333 45.380 45.100 -0.087 0.000 0.788 290 G HN 0.309 nan 8.290 nan 0.000 0.534 291 A N 1.834 124.585 122.820 -0.115 0.000 2.580 291 A HA 0.407 4.728 4.320 0.002 0.000 0.244 291 A C -1.469 175.958 177.584 -0.261 0.000 1.045 291 A CA -0.535 51.406 52.037 -0.160 0.000 0.761 291 A CB 0.189 19.099 19.000 -0.149 0.000 0.962 291 A HN 0.274 nan 8.150 nan 0.000 0.512 292 P HA 0.322 nan 4.420 nan 0.000 0.276 292 P C -1.018 176.126 177.300 -0.260 0.000 1.252 292 P CA -0.003 63.001 63.100 -0.161 0.000 0.802 292 P CB 0.493 32.152 31.700 -0.069 0.000 1.035 293 Y N -0.351 119.950 120.300 0.003 0.000 2.453 293 Y HA 0.323 4.874 4.550 0.002 0.000 0.326 293 Y C 2.185 178.101 175.900 0.027 0.000 1.186 293 Y CA -0.651 57.459 58.100 0.017 0.000 1.200 293 Y CB 0.409 38.877 38.460 0.012 0.000 1.247 293 Y HN 0.249 nan 8.280 nan 0.000 0.482 294 R N 1.519 122.142 120.500 0.205 0.000 2.154 294 R HA -0.258 4.083 4.340 0.002 0.000 0.236 294 R C 1.975 178.329 176.300 0.091 0.000 1.121 294 R CA 2.416 58.599 56.100 0.138 0.000 0.915 294 R CB -0.748 29.626 30.300 0.122 0.000 0.856 294 R HN 1.050 nan 8.270 nan 0.000 0.431 295 E N 0.060 120.312 120.200 0.086 0.000 2.164 295 E HA -0.253 4.098 4.350 0.002 0.000 0.206 295 E C 1.292 177.918 176.600 0.042 0.000 1.032 295 E CA 1.952 58.378 56.400 0.043 0.000 0.832 295 E CB -0.456 29.258 29.700 0.024 0.000 0.742 295 E HN 0.359 nan 8.360 nan 0.000 0.460 296 D N 1.322 121.768 120.400 0.077 0.000 2.097 296 D HA -0.103 4.538 4.640 0.002 0.000 0.195 296 D C 2.304 178.623 176.300 0.032 0.000 0.989 296 D CA 1.120 55.155 54.000 0.059 0.000 0.827 296 D CB -0.428 40.427 40.800 0.091 0.000 0.966 296 D HN 0.257 nan 8.370 nan 0.000 0.456 297 L N 1.051 122.294 121.223 0.034 0.000 1.978 297 L HA -0.263 4.078 4.340 0.002 0.000 0.218 297 L C 2.294 179.170 176.870 0.011 0.000 1.075 297 L CA 1.681 56.532 54.840 0.019 0.000 0.767 297 L CB -0.869 41.211 42.059 0.035 0.000 0.890 297 L HN 0.067 nan 8.230 nan 0.000 0.434 298 E N -0.314 119.886 120.200 -0.001 0.000 2.271 298 E HA -0.278 4.073 4.350 0.002 0.000 0.209 298 E C 1.912 178.514 176.600 0.004 0.000 1.046 298 E CA 1.994 58.389 56.400 -0.010 0.000 0.840 298 E CB -0.323 29.365 29.700 -0.019 0.000 0.738 298 E HN 0.682 nan 8.360 nan 0.000 0.470 299 V N -1.737 118.184 119.914 0.011 0.000 3.048 299 V HA 0.119 4.240 4.120 0.002 0.000 0.241 299 V C 0.862 176.972 176.094 0.027 0.000 1.129 299 V CA -0.375 61.935 62.300 0.017 0.000 1.128 299 V CB -0.278 31.553 31.823 0.014 0.000 0.849 299 V HN 0.089 nan 8.190 nan 0.000 0.475 300 L N 2.220 123.454 121.223 0.019 0.000 2.654 300 L HA 0.299 4.640 4.340 0.002 0.000 0.271 300 L C 0.637 177.548 176.870 0.068 0.000 1.169 300 L CA 0.892 55.742 54.840 0.017 0.000 0.947 300 L CB -0.127 41.907 42.059 -0.042 0.000 1.232 300 L HN 0.505 nan 8.230 nan 0.000 0.486 301 L N 1.357 122.650 121.223 0.118 0.000 1.978 301 L HA -0.200 4.141 4.340 0.002 0.000 0.494 301 L C 0.218 177.156 176.870 0.113 0.000 0.718 301 L CA 1.223 56.179 54.840 0.194 0.000 3.193 301 L CB -1.227 40.997 42.059 0.275 0.000 0.700 301 L HN 0.775 nan 8.230 nan 0.000 0.762 302 K N 0.000 120.448 120.400 0.080 0.000 2.780 302 K HA 0.000 4.321 4.320 0.002 0.000 0.191 302 K CA 0.000 nan 56.287 nan 0.000 0.838 302 K CB 0.000 nan 32.500 nan 0.000 1.064 302 K HN 0.000 nan 8.250 nan 0.000 0.543