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 2poz_1_G DATA FIRST_RESID 3 DATA SEQUENCE LKITGVNIYL LKSGRLHPVL VEISTDEGIT GAGEAGIAYG VGGTAAAGXI DATA SEQUENCE KDLSERFLIG KDPSRIEELW STXYDHSFWA KNGGAIIFAG ISAIEQALWD DATA SEQUENCE IKGKCLGVPV YELFGGKIRD RVRAYANGWY GAADTPDEFA RAVERPLKEG DATA SEQUENCE YGALKFYPLA QXXXXXLQHV TRRSXSAEAI ELAYRRVKAV RDAAGPEIEL DATA SEQUENCE XVDLSGGLTT DETIRFCRKI GELDICFVEE PCDPFDNGAL KVISEQIPLP DATA SEQUENCE IAVGERVYTR FGFRKIFELQ ACGIIQPDIG TAGGLXETKK ICAXAEAYNX DATA SEQUENCE RVAPHVCGSS LIETATLQLE ANITNFXIHE HYPAFKADDG YVEVLENPPS DATA SEQUENCE ISSGYFEXPN GPGLGAVLIK RNIEPYLWAS CT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.875 176.870 0.008 0.000 1.165 3 L CA 0.000 54.843 54.840 0.005 0.000 0.813 3 L CB 0.000 42.061 42.059 0.003 0.000 0.961 4 K N 0.738 121.146 120.400 0.012 0.000 2.498 4 K HA 0.615 4.935 4.320 -0.000 0.000 0.254 4 K C -1.683 174.929 176.600 0.021 0.000 0.933 4 K CA -0.635 55.662 56.287 0.017 0.000 0.806 4 K CB 2.447 34.956 32.500 0.016 0.000 1.301 4 K HN 0.546 nan 8.250 nan 0.000 0.432 5 I N 3.539 124.125 120.570 0.026 0.000 2.416 5 I HA 0.043 4.213 4.170 -0.000 0.000 0.288 5 I C 1.387 177.522 176.117 0.030 0.000 1.051 5 I CA 0.004 61.324 61.300 0.032 0.000 1.375 5 I CB 1.479 39.504 38.000 0.042 0.000 1.407 5 I HN 0.835 nan 8.210 nan 0.000 0.516 6 T N 0.986 115.558 114.554 0.029 0.000 3.000 6 T HA 0.344 4.694 4.350 -0.000 0.000 0.248 6 T C 0.614 175.329 174.700 0.026 0.000 1.034 6 T CA 0.017 62.132 62.100 0.024 0.000 1.060 6 T CB 0.674 69.555 68.868 0.022 0.000 0.983 6 T HN 0.710 nan 8.240 nan 0.000 0.482 7 G N 0.182 109.002 108.800 0.033 0.000 2.673 7 G HA2 0.550 4.510 3.960 -0.000 0.000 0.292 7 G HA3 0.550 4.510 3.960 -0.000 0.000 0.292 7 G C -2.122 172.806 174.900 0.046 0.000 1.450 7 G CA -0.605 44.515 45.100 0.033 0.000 0.837 7 G HN 0.280 nan 8.290 nan 0.000 0.505 8 V N 0.800 120.739 119.914 0.041 0.000 2.623 8 V HA 0.476 4.596 4.120 -0.000 0.000 0.304 8 V C -0.436 175.674 176.094 0.027 0.000 1.054 8 V CA -1.006 61.326 62.300 0.053 0.000 0.882 8 V CB 1.765 33.626 31.823 0.062 0.000 1.002 8 V HN 0.751 nan 8.190 nan 0.000 0.424 9 N N 4.080 122.797 118.700 0.027 0.000 2.372 9 N HA 0.735 5.475 4.740 -0.000 0.000 0.291 9 N C -1.269 174.145 175.510 -0.160 0.000 1.024 9 N CA -0.672 52.312 53.050 -0.111 0.000 0.873 9 N CB 2.339 40.747 38.487 -0.131 0.000 1.206 9 N HN 0.546 nan 8.380 nan 0.000 0.486 10 I N 2.545 122.973 120.570 -0.238 0.000 2.433 10 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 10 I C -1.139 174.847 176.117 -0.219 0.000 1.001 10 I CA -0.711 60.541 61.300 -0.080 0.000 1.119 10 I CB 0.981 39.047 38.000 0.109 0.000 1.289 10 I HN 0.407 nan 8.210 nan 0.000 0.438 11 Y N 6.072 126.469 120.300 0.161 0.000 2.341 11 Y HA 0.474 5.024 4.550 -0.000 0.000 0.338 11 Y C -0.438 175.529 175.900 0.112 0.000 0.965 11 Y CA -0.891 57.318 58.100 0.181 0.000 1.108 11 Y CB 1.760 40.313 38.460 0.155 0.000 1.180 11 Y HN 0.339 nan 8.280 nan 0.000 0.458 12 L N 5.333 126.715 121.223 0.265 0.000 2.321 12 L HA 0.488 4.828 4.340 -0.000 0.000 0.272 12 L C -1.321 175.608 176.870 0.098 0.000 1.050 12 L CA -0.537 54.348 54.840 0.075 0.000 0.893 12 L CB -0.342 41.664 42.059 -0.088 0.000 1.272 12 L HN 0.526 nan 8.230 nan 0.000 0.435 13 L N 3.771 124.954 121.223 -0.068 0.000 2.466 13 L HA 0.379 4.719 4.340 -0.000 0.000 0.257 13 L C 0.453 177.073 176.870 -0.416 0.000 1.189 13 L CA 0.271 54.816 54.840 -0.492 0.000 0.813 13 L CB 0.399 42.195 42.059 -0.439 0.000 1.118 13 L HN 0.537 nan 8.230 nan 0.000 0.471 14 K N 1.011 120.977 120.400 -0.725 0.000 2.626 14 K HA 0.370 4.690 4.320 -0.000 0.000 0.223 14 K C -1.108 175.324 176.600 -0.279 0.000 0.992 14 K CA -0.027 56.094 56.287 -0.276 0.000 1.024 14 K CB 0.935 33.418 32.500 -0.028 0.000 1.225 14 K HN 0.473 nan 8.250 nan 0.000 0.498 15 S N 3.253 118.832 115.700 -0.203 0.000 2.532 15 S HA 0.516 4.986 4.470 -0.000 0.000 0.256 15 S C 0.425 174.986 174.600 -0.066 0.000 1.298 15 S CA 0.479 58.585 58.200 -0.157 0.000 1.166 15 S CB 0.397 63.466 63.200 -0.218 0.000 1.022 15 S HN 1.033 nan 8.310 nan 0.000 0.480 16 G N 5.462 114.243 108.800 -0.032 0.000 2.583 16 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.292 16 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.292 16 G C 0.689 175.522 174.900 -0.113 0.000 1.203 16 G CA 0.482 45.551 45.100 -0.050 0.000 0.987 16 G HN 0.932 nan 8.290 nan 0.000 0.554 17 R N 0.433 120.804 120.500 -0.216 0.000 2.307 17 R HA 0.341 4.681 4.340 -0.000 0.000 0.199 17 R C 1.116 177.283 176.300 -0.222 0.000 1.000 17 R CA 0.670 56.629 56.100 -0.236 0.000 1.023 17 R CB -0.285 29.797 30.300 -0.364 0.000 0.908 17 R HN 0.456 nan 8.270 nan 0.000 0.473 18 L N 1.044 122.135 121.223 -0.218 0.000 2.331 18 L HA 0.372 4.712 4.340 -0.000 0.000 0.268 18 L C -0.559 176.219 176.870 -0.154 0.000 1.015 18 L CA -1.532 53.170 54.840 -0.230 0.000 0.807 18 L CB 1.551 43.508 42.059 -0.170 0.000 1.293 18 L HN 0.240 nan 8.230 nan 0.000 0.451 19 H N -1.986 117.058 119.070 -0.044 0.000 2.380 19 H HA 0.452 5.008 4.556 -0.000 0.000 0.231 19 H C -2.846 172.441 175.328 -0.068 0.000 1.415 19 H CA -2.789 53.212 56.048 -0.078 0.000 1.433 19 H CB -0.264 29.455 29.762 -0.071 0.000 1.544 19 H HN 0.176 nan 8.280 nan 0.000 0.503 20 P HA -0.003 nan 4.420 nan 0.000 0.266 20 P C -0.327 176.997 177.300 0.041 0.000 1.195 20 P CA -0.196 62.919 63.100 0.025 0.000 0.768 20 P CB 1.178 32.870 31.700 -0.015 0.000 0.838 21 V N 5.075 125.025 119.914 0.060 0.000 2.376 21 V HA 0.329 4.449 4.120 -0.000 0.000 0.287 21 V C 0.192 176.340 176.094 0.089 0.000 1.015 21 V CA -0.339 61.990 62.300 0.049 0.000 0.834 21 V CB 0.785 32.605 31.823 -0.005 0.000 1.001 21 V HN 0.353 nan 8.190 nan 0.000 0.428 22 L N 4.924 126.236 121.223 0.149 0.000 2.313 22 L HA 0.849 5.189 4.340 -0.000 0.000 0.268 22 L C -0.486 176.543 176.870 0.264 0.000 1.010 22 L CA -1.071 53.880 54.840 0.187 0.000 0.814 22 L CB 2.095 44.251 42.059 0.161 0.000 1.304 22 L HN 0.411 nan 8.230 nan 0.000 0.441 23 V N 0.536 120.593 119.914 0.239 0.000 2.925 23 V HA 0.501 4.620 4.120 -0.000 0.000 0.311 23 V C -1.492 174.745 176.094 0.239 0.000 1.104 23 V CA -0.200 62.240 62.300 0.232 0.000 0.954 23 V CB 2.383 34.300 31.823 0.156 0.000 1.022 23 V HN 0.913 nan 8.190 nan 0.000 0.427 24 E N 5.222 125.569 120.200 0.245 0.000 2.265 24 E HA 0.486 4.836 4.350 -0.000 0.000 0.262 24 E C -1.604 175.084 176.600 0.148 0.000 0.889 24 E CA -0.573 55.953 56.400 0.209 0.000 0.789 24 E CB 1.615 31.490 29.700 0.292 0.000 1.221 24 E HN 0.708 nan 8.360 nan 0.000 0.414 25 I N 2.865 123.504 120.570 0.116 0.000 2.353 25 I HA 0.280 4.450 4.170 -0.000 0.000 0.293 25 I C -0.056 176.106 176.117 0.076 0.000 0.992 25 I CA -0.512 60.842 61.300 0.090 0.000 1.268 25 I CB 1.851 39.900 38.000 0.082 0.000 1.387 25 I HN 0.373 nan 8.210 nan 0.000 0.478 26 S N 3.309 119.048 115.700 0.065 0.000 2.501 26 S HA 0.611 5.081 4.470 -0.000 0.000 0.301 26 S C -0.071 174.553 174.600 0.041 0.000 1.096 26 S CA -0.710 57.522 58.200 0.053 0.000 1.063 26 S CB 1.916 65.148 63.200 0.054 0.000 1.042 26 S HN 0.750 nan 8.310 nan 0.000 0.494 27 T N -1.563 113.012 114.554 0.034 0.000 2.932 27 T HA 0.400 4.750 4.350 -0.000 0.000 0.289 27 T C 0.306 175.019 174.700 0.022 0.000 1.039 27 T CA -0.889 61.227 62.100 0.026 0.000 1.024 27 T CB 1.148 70.029 68.868 0.021 0.000 1.090 27 T HN 0.503 nan 8.240 nan 0.000 0.496 28 D N -0.044 120.368 120.400 0.019 0.000 2.403 28 D HA -0.074 4.566 4.640 -0.000 0.000 0.227 28 D C 0.965 177.273 176.300 0.014 0.000 0.995 28 D CA 0.519 54.529 54.000 0.016 0.000 0.928 28 D CB -0.017 40.791 40.800 0.014 0.000 0.887 28 D HN 0.633 nan 8.370 nan 0.000 0.529 29 E N -0.829 119.380 120.200 0.015 0.000 2.498 29 E HA 0.224 4.574 4.350 -0.000 0.000 0.203 29 E C 1.627 178.235 176.600 0.015 0.000 1.013 29 E CA 0.464 56.872 56.400 0.013 0.000 0.927 29 E CB 0.868 30.574 29.700 0.010 0.000 1.012 29 E HN 0.426 nan 8.360 nan 0.000 0.482 30 G N 1.791 110.602 108.800 0.018 0.000 2.284 30 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.230 30 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.230 30 G C 0.494 175.408 174.900 0.023 0.000 1.021 30 G CA 0.036 45.149 45.100 0.021 0.000 0.619 30 G HN 0.271 nan 8.290 nan 0.000 0.510 31 I N 3.211 123.793 120.570 0.020 0.000 2.598 31 I HA 0.347 4.517 4.170 -0.000 0.000 0.284 31 I C 1.232 177.366 176.117 0.028 0.000 1.140 31 I CA 1.059 62.372 61.300 0.021 0.000 1.420 31 I CB 0.697 38.706 38.000 0.014 0.000 1.387 31 I HN 0.420 nan 8.210 nan 0.000 0.553 32 T N 2.418 116.992 114.554 0.034 0.000 2.942 32 T HA 0.781 5.131 4.350 -0.000 0.000 0.289 32 T C -0.191 174.540 174.700 0.051 0.000 1.044 32 T CA -0.849 61.279 62.100 0.047 0.000 1.023 32 T CB 2.076 70.978 68.868 0.056 0.000 1.123 32 T HN 0.682 nan 8.240 nan 0.000 0.512 33 G N -0.397 108.442 108.800 0.065 0.000 2.542 33 G HA2 0.706 4.666 3.960 -0.000 0.000 0.311 33 G HA3 0.706 4.666 3.960 -0.000 0.000 0.311 33 G C -0.958 173.998 174.900 0.092 0.000 1.298 33 G CA -0.860 44.285 45.100 0.074 0.000 0.973 33 G HN 1.071 nan 8.290 nan 0.000 0.487 34 A N 0.359 123.234 122.820 0.091 0.000 2.324 34 A HA 1.009 5.329 4.320 -0.000 0.000 0.330 34 A C 0.272 177.925 177.584 0.116 0.000 1.165 34 A CA -0.135 51.962 52.037 0.099 0.000 0.813 34 A CB 1.784 20.828 19.000 0.072 0.000 1.197 34 A HN 1.810 nan 8.150 nan 0.000 0.484 35 G N 0.023 108.899 108.800 0.127 0.000 2.720 35 G HA2 0.555 4.515 3.960 -0.000 0.000 0.295 35 G HA3 0.555 4.515 3.960 -0.000 0.000 0.295 35 G C -1.648 173.332 174.900 0.134 0.000 1.437 35 G CA -0.381 44.803 45.100 0.139 0.000 0.886 35 G HN 0.779 nan 8.290 nan 0.000 0.509 36 E N 0.105 120.385 120.200 0.133 0.000 2.256 36 E HA 0.612 4.962 4.350 -0.000 0.000 0.268 36 E C -0.250 176.427 176.600 0.129 0.000 0.877 36 E CA -0.897 55.576 56.400 0.123 0.000 0.757 36 E CB 1.935 31.702 29.700 0.113 0.000 1.183 36 E HN 0.760 nan 8.360 nan 0.000 0.418 37 A N 2.731 125.616 122.820 0.109 0.000 2.320 37 A HA 0.445 4.765 4.320 -0.000 0.000 0.287 37 A C 0.895 178.541 177.584 0.102 0.000 1.181 37 A CA 0.147 52.244 52.037 0.101 0.000 0.831 37 A CB 0.688 19.723 19.000 0.058 0.000 1.102 37 A HN 0.754 nan 8.150 nan 0.000 0.513 38 G N 1.781 110.658 108.800 0.128 0.000 3.229 38 G HA2 0.221 4.181 3.960 -0.000 0.000 0.214 38 G HA3 0.221 4.181 3.960 -0.000 0.000 0.214 38 G C 0.321 175.249 174.900 0.047 0.000 1.256 38 G CA 0.079 45.267 45.100 0.147 0.000 1.042 38 G HN 0.597 nan 8.290 nan 0.000 0.497 39 I N 1.438 122.011 120.570 0.006 0.000 3.282 39 I HA 0.231 4.400 4.170 -0.000 0.000 0.335 39 I C 1.611 177.740 176.117 0.020 0.000 1.325 39 I CA -0.783 60.477 61.300 -0.067 0.000 1.156 39 I CB -0.176 37.800 38.000 -0.041 0.000 1.644 39 I HN 0.162 nan 8.210 nan 0.000 0.493 40 A N 1.960 124.757 122.820 -0.037 0.000 2.119 40 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 40 A C 0.820 178.119 177.584 -0.475 0.000 1.152 40 A CA 0.840 52.828 52.037 -0.081 0.000 0.708 40 A CB -0.133 18.919 19.000 0.086 0.000 0.805 40 A HN 0.523 nan 8.150 nan 0.000 0.460 41 Y N -4.504 115.610 120.300 -0.310 0.000 2.698 41 Y HA 0.656 5.206 4.550 -0.000 0.000 0.332 41 Y C 0.773 176.676 175.900 0.004 0.000 1.119 41 Y CA -1.266 56.653 58.100 -0.302 0.000 1.109 41 Y CB 0.172 38.560 38.460 -0.120 0.000 1.308 41 Y HN 0.792 nan 8.280 nan 0.000 0.499 42 G N -0.184 108.726 108.800 0.184 0.000 2.642 42 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.231 42 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.231 42 G C -1.642 173.360 174.900 0.169 0.000 1.338 42 G CA -0.421 44.762 45.100 0.138 0.000 0.883 42 G HN 1.144 nan 8.290 nan 0.000 0.570 43 V N 0.855 120.811 119.914 0.070 0.000 2.334 43 V HA 0.720 4.840 4.120 -0.000 0.000 0.281 43 V C 1.068 177.132 176.094 -0.049 0.000 1.016 43 V CA 1.004 63.315 62.300 0.017 0.000 0.832 43 V CB 0.519 32.344 31.823 0.004 0.000 0.999 43 V HN 2.585 nan 8.190 nan 0.000 0.439 44 G N 3.135 111.860 108.800 -0.125 0.000 3.800 44 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.221 44 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.221 44 G C 0.834 175.597 174.900 -0.228 0.000 0.893 44 G CA 0.206 45.212 45.100 -0.156 0.000 0.986 44 G HN 0.980 nan 8.290 nan 0.000 0.719 45 G N 0.951 109.501 108.800 -0.417 0.000 2.446 45 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.217 45 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.217 45 G C 1.687 176.344 174.900 -0.406 0.000 1.168 45 G CA 2.492 47.315 45.100 -0.461 0.000 0.771 45 G HN 0.520 nan 8.290 nan 0.000 0.551 46 T N 1.743 116.050 114.554 -0.413 0.000 2.746 46 T HA 0.030 4.380 4.350 -0.000 0.000 0.267 46 T C 2.799 177.252 174.700 -0.411 0.000 1.039 46 T CA 1.494 63.326 62.100 -0.448 0.000 1.142 46 T CB -0.403 68.322 68.868 -0.239 0.000 0.866 46 T HN 0.391 nan 8.240 nan 0.000 0.444 47 A N 1.704 124.363 122.820 -0.267 0.000 1.908 47 A HA 0.092 4.412 4.320 -0.000 0.000 0.218 47 A C 2.694 180.146 177.584 -0.220 0.000 1.181 47 A CA 1.947 53.862 52.037 -0.203 0.000 0.627 47 A CB -1.224 17.679 19.000 -0.160 0.000 0.818 47 A HN 0.524 nan 8.150 nan 0.000 0.445 48 A N -0.193 122.490 122.820 -0.227 0.000 1.908 48 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 48 A C 2.525 179.973 177.584 -0.228 0.000 1.181 48 A CA 2.273 54.200 52.037 -0.183 0.000 0.627 48 A CB -1.068 17.849 19.000 -0.139 0.000 0.818 48 A HN 1.114 nan 8.150 nan 0.000 0.445 49 A N -0.168 122.404 122.820 -0.413 0.000 1.902 49 A HA 0.285 4.605 4.320 -0.000 0.000 0.217 49 A C 1.792 179.113 177.584 -0.437 0.000 1.181 49 A CA 1.385 53.080 52.037 -0.570 0.000 0.623 49 A CB -1.475 16.762 19.000 -1.270 0.000 0.818 49 A HN 0.865 nan 8.150 nan 0.000 0.443 53 K N 1.936 122.405 120.400 0.114 0.000 2.002 53 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 53 K C 1.369 178.021 176.600 0.086 0.000 1.048 53 K CA 2.385 58.755 56.287 0.137 0.000 0.930 53 K CB 0.070 32.721 32.500 0.251 0.000 0.714 53 K HN 0.199 nan 8.250 nan 0.000 0.438 54 D N 0.918 121.366 120.400 0.080 0.000 2.117 54 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 54 D C 2.053 178.377 176.300 0.040 0.000 0.987 54 D CA 1.029 55.056 54.000 0.046 0.000 0.829 54 D CB -0.108 40.723 40.800 0.053 0.000 0.961 54 D HN 0.253 nan 8.370 nan 0.000 0.460 55 L N 0.591 121.879 121.223 0.108 0.000 2.027 55 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 55 L C 2.577 179.560 176.870 0.190 0.000 1.074 55 L CA 0.846 55.823 54.840 0.229 0.000 0.745 55 L CB -0.343 41.853 42.059 0.229 0.000 0.898 55 L HN -0.065 nan 8.230 nan 0.000 0.433 56 S N -0.255 115.520 115.700 0.124 0.000 2.359 56 S HA -0.221 4.249 4.470 -0.000 0.000 0.224 56 S C 1.776 176.403 174.600 0.044 0.000 1.035 56 S CA 1.436 59.695 58.200 0.099 0.000 1.018 56 S CB -0.270 62.978 63.200 0.081 0.000 0.876 56 S HN 0.441 nan 8.310 nan 0.000 0.448 57 E N 0.092 120.294 120.200 0.003 0.000 2.338 57 E HA -0.077 4.273 4.350 -0.000 0.000 0.197 57 E C 2.103 178.633 176.600 -0.117 0.000 1.007 57 E CA 0.583 56.959 56.400 -0.041 0.000 0.849 57 E CB 0.058 29.735 29.700 -0.038 0.000 0.774 57 E HN 0.155 nan 8.360 nan 0.000 0.506 58 R N -0.666 119.698 120.500 -0.226 0.000 2.225 58 R HA 0.077 4.417 4.340 -0.000 0.000 0.194 58 R C 0.709 176.636 176.300 -0.621 0.000 0.957 58 R CA 0.776 56.565 56.100 -0.519 0.000 1.042 58 R CB 0.298 30.092 30.300 -0.843 0.000 1.004 58 R HN 0.038 nan 8.270 nan 0.000 0.509 59 F N -1.437 118.531 119.950 0.029 0.000 2.831 59 F HA 0.343 4.870 4.527 -0.000 0.000 0.334 59 F C 1.195 177.017 175.800 0.036 0.000 1.071 59 F CA -0.226 57.795 58.000 0.036 0.000 1.172 59 F CB 0.436 39.463 39.000 0.044 0.000 1.054 59 F HN -0.147 nan 8.300 nan 0.000 0.572 60 L N -0.336 120.998 121.223 0.185 0.000 2.347 60 L HA 0.274 4.614 4.340 -0.000 0.000 0.196 60 L C 0.687 177.604 176.870 0.080 0.000 1.072 60 L CA 0.092 55.009 54.840 0.129 0.000 0.817 60 L CB -0.147 41.983 42.059 0.118 0.000 1.029 60 L HN -0.180 nan 8.230 nan 0.000 0.478 61 I N 1.942 122.545 120.570 0.055 0.000 2.943 61 I HA -0.104 4.066 4.170 -0.000 0.000 0.296 61 I C 1.361 177.498 176.117 0.032 0.000 1.220 61 I CA 1.194 62.515 61.300 0.036 0.000 1.409 61 I CB -0.347 37.664 38.000 0.018 0.000 1.374 61 I HN 0.534 nan 8.210 nan 0.000 0.545 62 G N 4.485 113.303 108.800 0.031 0.000 2.199 62 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.254 62 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.254 62 G C 0.331 175.250 174.900 0.032 0.000 0.982 62 G CA -0.293 44.823 45.100 0.026 0.000 0.632 62 G HN 0.572 nan 8.290 nan 0.000 0.529 63 K N 0.515 120.941 120.400 0.043 0.000 2.090 63 K HA 0.435 4.755 4.320 -0.000 0.000 0.250 63 K C -0.568 176.052 176.600 0.034 0.000 1.004 63 K CA -0.550 55.765 56.287 0.045 0.000 0.919 63 K CB 0.861 33.401 32.500 0.067 0.000 1.045 63 K HN 0.126 nan 8.250 nan 0.000 0.471 64 D N 2.455 122.872 120.400 0.029 0.000 2.339 64 D HA 0.047 4.687 4.640 -0.000 0.000 0.256 64 D C -1.483 174.821 176.300 0.007 0.000 1.214 64 D CA -2.134 51.875 54.000 0.015 0.000 0.877 64 D CB 0.997 41.804 40.800 0.012 0.000 1.111 64 D HN 0.174 nan 8.370 nan 0.000 0.478 65 P HA -0.124 nan 4.420 nan 0.000 0.226 65 P C 1.008 178.266 177.300 -0.071 0.000 1.153 65 P CA 0.533 63.619 63.100 -0.023 0.000 0.777 65 P CB 0.103 31.794 31.700 -0.015 0.000 0.794 66 S N -0.014 115.648 115.700 -0.065 0.000 2.474 66 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 66 S C 1.397 175.931 174.600 -0.110 0.000 0.997 66 S CA 0.142 58.283 58.200 -0.099 0.000 0.949 66 S CB -0.832 62.333 63.200 -0.059 0.000 0.766 66 S HN 0.140 nan 8.310 nan 0.000 0.517 67 R N 1.145 121.606 120.500 -0.064 0.000 4.071 67 R HA 0.394 4.734 4.340 -0.000 0.000 0.220 67 R C 0.639 176.916 176.300 -0.038 0.000 1.614 67 R CA -0.168 55.910 56.100 -0.037 0.000 1.505 67 R CB -0.321 29.982 30.300 0.006 0.000 1.384 67 R HN 0.489 nan 8.270 nan 0.000 0.758 68 I N 0.436 120.933 120.570 -0.121 0.000 2.179 68 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 68 I C 1.983 178.137 176.117 0.063 0.000 1.088 68 I CA 1.219 62.456 61.300 -0.105 0.000 1.357 68 I CB -0.121 37.636 38.000 -0.405 0.000 1.051 68 I HN 0.354 nan 8.210 nan 0.000 0.409 69 E N 0.919 121.153 120.200 0.058 0.000 2.058 69 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 69 E C 2.011 178.707 176.600 0.160 0.000 0.997 69 E CA 1.484 57.952 56.400 0.113 0.000 0.801 69 E CB -0.363 29.379 29.700 0.069 0.000 0.746 69 E HN 0.559 nan 8.360 nan 0.000 0.450 70 E N 0.250 120.516 120.200 0.110 0.000 2.077 70 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 70 E C 2.109 178.787 176.600 0.130 0.000 0.989 70 E CA 0.642 57.111 56.400 0.114 0.000 0.800 70 E CB 0.060 29.809 29.700 0.081 0.000 0.746 70 E HN 0.022 nan 8.360 nan 0.000 0.452 71 L N -0.213 121.083 121.223 0.121 0.000 2.046 71 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 71 L C 2.007 178.946 176.870 0.115 0.000 1.077 71 L CA 1.693 56.594 54.840 0.101 0.000 0.747 71 L CB -1.043 41.072 42.059 0.094 0.000 0.896 71 L HN 0.370 nan 8.230 nan 0.000 0.432 72 W N -0.458 120.861 121.300 0.032 0.000 2.355 72 W HA -0.265 4.395 4.660 -0.000 0.000 0.309 72 W C 3.071 179.631 176.519 0.069 0.000 1.206 72 W CA 2.208 59.593 57.345 0.067 0.000 1.284 72 W CB -0.309 29.212 29.460 0.101 0.000 1.145 72 W HN 0.153 nan 8.180 nan 0.000 0.502 73 S N -0.462 115.499 115.700 0.435 0.000 2.383 73 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 73 S C 1.139 175.814 174.600 0.125 0.000 1.030 73 S CA 1.606 60.001 58.200 0.325 0.000 1.002 73 S CB -0.892 62.456 63.200 0.246 0.000 0.829 73 S HN 0.135 nan 8.310 nan 0.000 0.467 77 D N 0.263 120.561 120.400 -0.170 0.000 2.178 77 D HA -0.054 4.586 4.640 -0.000 0.000 0.202 77 D C 0.966 176.892 176.300 -0.624 0.000 0.974 77 D CA 1.880 55.629 54.000 -0.419 0.000 0.841 77 D CB -0.076 40.394 40.800 -0.549 0.000 0.953 77 D HN 0.568 nan 8.370 nan 0.000 0.478 78 H N -1.247 117.794 119.070 -0.050 0.000 2.785 78 H HA 0.250 4.806 4.556 -0.000 0.000 0.268 78 H C 1.293 176.757 175.328 0.227 0.000 1.153 78 H CA 0.226 56.335 56.048 0.103 0.000 1.111 78 H CB 0.509 30.412 29.762 0.235 0.000 1.633 78 H HN 0.068 nan 8.280 nan 0.000 0.576 79 S N -0.735 115.054 115.700 0.147 0.000 2.503 79 S HA -0.010 4.460 4.470 -0.000 0.000 0.217 79 S C 1.277 175.923 174.600 0.078 0.000 0.999 79 S CA 0.118 58.445 58.200 0.212 0.000 0.914 79 S CB 0.103 63.356 63.200 0.090 0.000 0.782 79 S HN 0.379 nan 8.310 nan 0.000 0.520 80 F N 0.421 120.200 119.950 -0.287 0.000 2.559 80 F HA -0.342 4.185 4.527 -0.000 0.000 0.681 80 F C 0.537 175.951 175.800 -0.644 0.000 0.488 80 F CA 1.699 59.376 58.000 -0.539 0.000 0.759 80 F CB -1.657 36.884 39.000 -0.765 0.000 1.634 80 F HN 0.358 nan 8.300 nan 0.000 0.264 81 W N 0.945 122.240 121.300 -0.008 0.000 3.077 81 W HA 0.413 5.073 4.660 -0.000 0.000 0.245 81 W C 2.107 178.444 176.519 -0.304 0.000 1.316 81 W CA 0.793 58.069 57.345 -0.116 0.000 1.537 81 W CB -0.741 28.696 29.460 -0.037 0.000 1.131 81 W HN 0.347 nan 8.180 nan 0.000 0.695 82 A N 0.676 123.289 122.820 -0.344 0.000 1.970 82 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 82 A C 1.218 178.581 177.584 -0.367 0.000 1.170 82 A CA 0.489 52.179 52.037 -0.579 0.000 0.645 82 A CB -0.344 18.191 19.000 -0.775 0.000 0.816 82 A HN 0.114 nan 8.150 nan 0.000 0.447 83 K N 0.927 121.023 120.400 -0.507 0.000 2.382 83 K HA 0.063 4.383 4.320 -0.000 0.000 0.286 83 K C 0.100 176.677 176.600 -0.039 0.000 1.062 83 K CA 0.461 56.574 56.287 -0.289 0.000 1.000 83 K CB 0.002 32.249 32.500 -0.422 0.000 0.954 83 K HN 0.398 nan 8.250 nan 0.000 0.470 84 N N 0.940 119.747 118.700 0.177 0.000 2.741 84 N HA -0.145 4.595 4.740 -0.000 0.000 0.250 84 N C -0.103 175.554 175.510 0.246 0.000 1.115 84 N CA 0.958 54.134 53.050 0.211 0.000 0.724 84 N CB -0.968 37.588 38.487 0.115 0.000 1.090 84 N HN 0.789 nan 8.380 nan 0.000 0.558 85 G N -1.469 107.534 108.800 0.339 0.000 2.606 85 G HA2 0.543 4.503 3.960 -0.000 0.000 0.252 85 G HA3 0.543 4.503 3.960 -0.000 0.000 0.252 85 G C 0.760 175.852 174.900 0.319 0.000 1.206 85 G CA -0.041 45.194 45.100 0.225 0.000 0.861 85 G HN 0.462 nan 8.290 nan 0.000 0.561 86 G N -1.260 107.576 108.800 0.061 0.000 2.828 86 G HA2 0.548 4.508 3.960 -0.000 0.000 0.244 86 G HA3 0.548 4.508 3.960 -0.000 0.000 0.244 86 G C 1.286 175.904 174.900 -0.469 0.000 1.365 86 G CA 0.517 45.540 45.100 -0.128 0.000 1.041 86 G HN 1.009 nan 8.290 nan 0.000 0.560 87 A N -0.686 121.626 122.820 -0.846 0.000 1.917 87 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 87 A C 2.327 179.723 177.584 -0.313 0.000 1.182 87 A CA 1.661 53.230 52.037 -0.781 0.000 0.633 87 A CB -0.487 18.251 19.000 -0.437 0.000 0.819 87 A HN 0.413 nan 8.150 nan 0.000 0.448 88 I N -0.625 119.803 120.570 -0.236 0.000 2.163 88 I HA -0.193 3.977 4.170 -0.000 0.000 0.240 88 I C 2.441 178.461 176.117 -0.162 0.000 1.081 88 I CA 1.433 62.632 61.300 -0.169 0.000 1.353 88 I CB -1.320 36.583 38.000 -0.161 0.000 1.054 88 I HN 0.418 nan 8.210 nan 0.000 0.407 89 I N 0.734 121.172 120.570 -0.220 0.000 2.226 89 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 89 I C 2.288 178.200 176.117 -0.341 0.000 1.100 89 I CA 1.772 62.893 61.300 -0.298 0.000 1.374 89 I CB -0.483 37.262 38.000 -0.425 0.000 1.057 89 I HN 0.015 nan 8.210 nan 0.000 0.413 90 F N 0.162 120.056 119.950 -0.094 0.000 2.558 90 F HA 0.076 4.603 4.527 -0.000 0.000 0.298 90 F C 2.385 178.194 175.800 0.014 0.000 1.119 90 F CA 0.632 58.616 58.000 -0.027 0.000 1.451 90 F CB -0.483 38.534 39.000 0.027 0.000 1.091 90 F HN 0.119 nan 8.300 nan 0.000 0.563 91 A N 0.248 123.127 122.820 0.099 0.000 1.929 91 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 91 A C 2.500 180.135 177.584 0.085 0.000 1.176 91 A CA 1.542 53.638 52.037 0.097 0.000 0.628 91 A CB -1.402 17.612 19.000 0.024 0.000 0.816 91 A HN 0.369 nan 8.150 nan 0.000 0.444 92 G N 0.086 108.904 108.800 0.028 0.000 2.402 92 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.216 92 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.216 92 G C 1.512 176.450 174.900 0.063 0.000 1.162 92 G CA 1.094 46.211 45.100 0.028 0.000 0.777 92 G HN 0.455 nan 8.290 nan 0.000 0.539 93 I N 1.024 121.623 120.570 0.049 0.000 2.315 93 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 93 I C 2.979 179.215 176.117 0.199 0.000 1.117 93 I CA 0.920 62.253 61.300 0.056 0.000 1.404 93 I CB -0.156 37.802 38.000 -0.071 0.000 1.071 93 I HN 0.105 nan 8.210 nan 0.000 0.419 94 S N 0.941 116.796 115.700 0.260 0.000 2.356 94 S HA -0.187 4.283 4.470 -0.000 0.000 0.223 94 S C 2.313 177.062 174.600 0.249 0.000 1.032 94 S CA 1.374 59.756 58.200 0.304 0.000 1.005 94 S CB -0.430 62.939 63.200 0.281 0.000 0.867 94 S HN 0.543 nan 8.310 nan 0.000 0.449 95 A N 1.658 124.593 122.820 0.191 0.000 1.873 95 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 95 A C 2.113 179.804 177.584 0.178 0.000 1.193 95 A CA 1.588 53.726 52.037 0.168 0.000 0.629 95 A CB -0.910 18.169 19.000 0.132 0.000 0.826 95 A HN 0.476 nan 8.150 nan 0.000 0.447 96 I N -0.702 119.968 120.570 0.167 0.000 2.163 96 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 96 I C 2.695 178.932 176.117 0.199 0.000 1.085 96 I CA 1.788 63.185 61.300 0.162 0.000 1.347 96 I CB -0.329 37.753 38.000 0.137 0.000 1.044 96 I HN 0.492 nan 8.210 nan 0.000 0.408 97 E N 0.863 121.225 120.200 0.271 0.000 2.077 97 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 97 E C 2.124 178.965 176.600 0.402 0.000 0.989 97 E CA 1.478 58.097 56.400 0.366 0.000 0.800 97 E CB -0.021 29.997 29.700 0.530 0.000 0.746 97 E HN 0.565 nan 8.360 nan 0.000 0.452 98 Q N -0.118 119.887 119.800 0.341 0.000 2.096 98 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 98 Q C 2.175 178.332 176.000 0.262 0.000 0.982 98 Q CA 1.717 57.707 55.803 0.312 0.000 0.850 98 Q CB -0.200 28.672 28.738 0.225 0.000 0.901 98 Q HN 0.311 nan 8.270 nan 0.000 0.422 99 A N 0.614 123.555 122.820 0.200 0.000 1.933 99 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 99 A C 2.034 179.689 177.584 0.118 0.000 1.175 99 A CA 1.007 53.132 52.037 0.148 0.000 0.628 99 A CB -0.590 18.488 19.000 0.130 0.000 0.814 99 A HN 0.293 nan 8.150 nan 0.000 0.444 100 L N -2.713 118.572 121.223 0.104 0.000 2.083 100 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 100 L C 2.541 179.352 176.870 -0.099 0.000 1.083 100 L CA 1.235 56.063 54.840 -0.020 0.000 0.752 100 L CB -0.447 41.566 42.059 -0.077 0.000 0.899 100 L HN 0.608 nan 8.230 nan 0.000 0.433 101 W N 0.298 121.643 121.300 0.074 0.000 2.436 101 W HA -0.167 4.493 4.660 -0.000 0.000 0.284 101 W C 2.337 178.847 176.519 -0.016 0.000 1.225 101 W CA 1.028 58.391 57.345 0.031 0.000 1.271 101 W CB -0.229 29.250 29.460 0.032 0.000 1.114 101 W HN 0.196 nan 8.180 nan 0.000 0.559 102 D N 0.498 121.015 120.400 0.195 0.000 2.092 102 D HA -0.208 4.432 4.640 -0.000 0.000 0.193 102 D C 1.923 178.257 176.300 0.057 0.000 0.994 102 D CA 1.769 55.831 54.000 0.103 0.000 0.828 102 D CB -0.338 40.519 40.800 0.094 0.000 0.963 102 D HN 0.070 nan 8.370 nan 0.000 0.450 103 I N 0.106 120.701 120.570 0.041 0.000 2.163 103 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 103 I C 2.535 178.648 176.117 -0.007 0.000 1.085 103 I CA 1.120 62.427 61.300 0.012 0.000 1.347 103 I CB -0.326 37.674 38.000 0.001 0.000 1.044 103 I HN 0.069 nan 8.210 nan 0.000 0.408 104 K N 1.088 121.468 120.400 -0.033 0.000 2.057 104 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 104 K C 2.101 178.704 176.600 0.006 0.000 1.049 104 K CA 1.633 57.893 56.287 -0.044 0.000 0.931 104 K CB -0.342 32.075 32.500 -0.138 0.000 0.714 104 K HN 0.389 nan 8.250 nan 0.000 0.440 105 G N 1.133 109.953 108.800 0.034 0.000 2.402 105 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 105 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 105 G C 1.298 176.187 174.900 -0.018 0.000 1.162 105 G CA 0.674 45.776 45.100 0.003 0.000 0.777 105 G HN 0.287 nan 8.290 nan 0.000 0.539 106 K N -0.433 119.962 120.400 -0.008 0.000 2.097 106 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 106 K C 2.544 179.139 176.600 -0.008 0.000 1.050 106 K CA 1.017 57.298 56.287 -0.009 0.000 0.938 106 K CB -0.292 32.209 32.500 0.001 0.000 0.718 106 K HN 0.308 nan 8.250 nan 0.000 0.442 107 C N 0.693 119.989 119.300 -0.006 0.000 2.422 107 C HA -0.025 4.435 4.460 -0.000 0.000 0.279 107 C C 2.065 177.052 174.990 -0.005 0.000 1.305 107 C CA 0.556 59.571 59.018 -0.005 0.000 1.757 107 C CB -0.629 27.106 27.740 -0.009 0.000 1.962 107 C HN 0.390 nan 8.230 nan 0.000 0.499 108 L N 0.196 121.416 121.223 -0.006 0.000 2.640 108 L HA 0.244 4.584 4.340 -0.000 0.000 0.230 108 L C 1.693 178.555 176.870 -0.013 0.000 1.123 108 L CA 0.682 55.519 54.840 -0.005 0.000 0.900 108 L CB -0.529 41.532 42.059 0.003 0.000 1.146 108 L HN 0.433 nan 8.230 nan 0.000 0.484 109 G N 1.684 110.473 108.800 -0.019 0.000 2.273 109 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.280 109 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.280 109 G C 0.024 174.897 174.900 -0.046 0.000 1.047 109 G CA 0.523 45.607 45.100 -0.027 0.000 0.869 109 G HN 0.340 nan 8.290 nan 0.000 0.502 110 V N -4.803 115.068 119.914 -0.071 0.000 3.147 110 V HA 0.885 5.005 4.120 -0.000 0.000 0.306 110 V C -2.656 173.308 176.094 -0.216 0.000 1.209 110 V CA -2.905 59.319 62.300 -0.125 0.000 1.023 110 V CB 2.162 33.922 31.823 -0.105 0.000 1.059 110 V HN 0.018 nan 8.190 nan 0.000 0.435 111 P HA 0.234 nan 4.420 nan 0.000 0.269 111 P C 1.072 178.019 177.300 -0.589 0.000 1.215 111 P CA 0.048 62.777 63.100 -0.618 0.000 0.780 111 P CB 0.893 31.813 31.700 -1.300 0.000 0.898 112 V N 2.105 121.727 119.914 -0.486 0.000 2.392 112 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 112 V C 1.962 177.637 176.094 -0.698 0.000 1.059 112 V CA 2.097 64.074 62.300 -0.537 0.000 1.051 112 V CB -1.781 29.695 31.823 -0.579 0.000 0.658 112 V HN 0.629 nan 8.190 nan 0.000 0.455 113 Y N 0.501 120.555 120.300 -0.409 0.000 2.465 113 Y HA -0.085 4.465 4.550 -0.000 0.000 0.289 113 Y C 2.127 177.947 175.900 -0.134 0.000 1.150 113 Y CA 0.933 58.872 58.100 -0.269 0.000 1.293 113 Y CB -0.838 37.535 38.460 -0.145 0.000 0.977 113 Y HN 0.218 nan 8.280 nan 0.000 0.556 114 E N 0.868 121.017 120.200 -0.085 0.000 2.158 114 E HA -0.003 4.347 4.350 -0.000 0.000 0.191 114 E C 2.156 178.775 176.600 0.031 0.000 0.982 114 E CA 0.743 57.163 56.400 0.034 0.000 0.823 114 E CB -0.198 29.460 29.700 -0.070 0.000 0.766 114 E HN 0.594 nan 8.360 nan 0.000 0.468 115 L N -0.140 121.059 121.223 -0.040 0.000 2.141 115 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 115 L C 1.938 178.955 176.870 0.245 0.000 1.094 115 L CA 0.625 55.520 54.840 0.091 0.000 0.763 115 L CB -0.340 41.798 42.059 0.131 0.000 0.908 115 L HN 0.034 nan 8.230 nan 0.000 0.437 116 F N 0.414 120.337 119.950 -0.046 0.000 2.802 116 F HA 0.172 4.699 4.527 -0.000 0.000 0.300 116 F C 1.717 177.498 175.800 -0.031 0.000 1.168 116 F CA 0.586 58.534 58.000 -0.088 0.000 1.433 116 F CB -0.733 38.176 39.000 -0.152 0.000 1.115 116 F HN 0.222 nan 8.300 nan 0.000 0.582 117 G N -0.817 108.094 108.800 0.185 0.000 2.151 117 G HA2 0.242 4.202 3.960 -0.000 0.000 0.140 117 G HA3 0.242 4.202 3.960 -0.000 0.000 0.140 117 G C 0.523 175.481 174.900 0.097 0.000 1.020 117 G CA -0.075 45.091 45.100 0.110 0.000 0.688 117 G HN 0.936 nan 8.290 nan 0.000 0.500 118 G N -0.279 108.601 108.800 0.134 0.000 2.756 118 G HA2 0.332 4.292 3.960 -0.000 0.000 0.678 118 G HA3 0.332 4.292 3.960 -0.000 0.000 0.678 118 G C -0.028 174.915 174.900 0.071 0.000 1.349 118 G CA 0.320 45.498 45.100 0.130 0.000 0.847 118 G HN 1.549 nan 8.290 nan 0.000 0.548 119 K N -0.790 119.592 120.400 -0.030 0.000 2.087 119 K HA 0.771 5.091 4.320 -0.000 0.000 0.255 119 K C 0.682 177.208 176.600 -0.124 0.000 0.988 119 K CA -0.777 55.381 56.287 -0.215 0.000 0.915 119 K CB 1.731 33.959 32.500 -0.453 0.000 1.043 119 K HN 0.448 nan 8.250 nan 0.000 0.457 120 I N -0.398 120.089 120.570 -0.138 0.000 4.312 120 I HA 0.038 4.208 4.170 -0.000 0.000 0.324 120 I C 0.389 176.455 176.117 -0.084 0.000 1.298 120 I CA -0.344 60.908 61.300 -0.080 0.000 1.231 120 I CB 0.419 38.388 38.000 -0.051 0.000 1.152 120 I HN 0.684 nan 8.210 nan 0.000 0.421 121 R N -0.294 120.123 120.500 -0.137 0.000 2.739 121 R HA 0.396 4.736 4.340 -0.000 0.000 0.271 121 R C -0.998 175.203 176.300 -0.166 0.000 1.010 121 R CA -0.724 55.307 56.100 -0.115 0.000 0.897 121 R CB 1.582 31.829 30.300 -0.089 0.000 1.236 121 R HN -0.227 nan 8.270 nan 0.000 0.466 122 D N 0.338 120.671 120.400 -0.111 0.000 2.417 122 D HA 0.083 4.723 4.640 -0.000 0.000 0.207 122 D C -0.099 176.156 176.300 -0.076 0.000 1.075 122 D CA 0.438 54.370 54.000 -0.113 0.000 0.851 122 D CB 0.732 41.487 40.800 -0.075 0.000 0.976 122 D HN 0.473 nan 8.370 nan 0.000 0.505 123 R N -0.145 120.334 120.500 -0.035 0.000 2.710 123 R HA 0.590 4.930 4.340 -0.000 0.000 0.270 123 R C -1.040 175.320 176.300 0.101 0.000 1.021 123 R CA -0.944 55.187 56.100 0.051 0.000 0.889 123 R CB 1.767 32.136 30.300 0.115 0.000 1.243 123 R HN -0.172 nan 8.270 nan 0.000 0.464 124 V N -1.639 118.352 119.914 0.129 0.000 2.709 124 V HA 0.624 4.744 4.120 -0.000 0.000 0.308 124 V C -0.229 175.896 176.094 0.051 0.000 1.062 124 V CA -1.191 61.192 62.300 0.139 0.000 0.901 124 V CB 1.908 33.719 31.823 -0.020 0.000 1.003 124 V HN 0.888 nan 8.190 nan 0.000 0.425 125 R N 2.227 122.647 120.500 -0.133 0.000 2.531 125 R HA 0.810 5.150 4.340 -0.000 0.000 0.273 125 R C -0.130 176.167 176.300 -0.004 0.000 1.070 125 R CA 0.373 56.148 56.100 -0.541 0.000 1.112 125 R CB 1.420 31.370 30.300 -0.583 0.000 1.049 125 R HN 1.219 nan 8.270 nan 0.000 0.508 126 A N 2.339 125.184 122.820 0.042 0.000 2.479 126 A HA 0.511 4.831 4.320 -0.000 0.000 0.296 126 A C -1.682 176.054 177.584 0.254 0.000 1.121 126 A CA -0.783 51.393 52.037 0.233 0.000 0.743 126 A CB 1.072 20.366 19.000 0.489 0.000 1.323 126 A HN 0.719 nan 8.150 nan 0.000 0.415 127 Y N -0.953 119.443 120.300 0.159 0.000 2.457 127 Y HA 0.806 5.356 4.550 -0.000 0.000 0.333 127 Y C 0.135 175.961 175.900 -0.123 0.000 1.119 127 Y CA -1.324 56.802 58.100 0.043 0.000 1.143 127 Y CB 1.001 39.459 38.460 -0.003 0.000 1.230 127 Y HN 0.852 nan 8.280 nan 0.000 0.469 128 A N 2.949 125.700 122.820 -0.114 0.000 2.309 128 A HA 0.539 4.858 4.320 -0.000 0.000 0.298 128 A C -0.711 176.980 177.584 0.178 0.000 1.165 128 A CA -0.539 51.259 52.037 -0.398 0.000 0.821 128 A CB 0.220 18.699 19.000 -0.868 0.000 1.102 128 A HN 0.811 nan 8.150 nan 0.000 0.500 129 N N 0.002 118.678 118.700 -0.040 0.000 2.242 129 N HA 0.535 5.275 4.740 -0.000 0.000 0.292 129 N C 0.442 175.845 175.510 -0.178 0.000 1.125 129 N CA 0.609 53.655 53.050 -0.007 0.000 0.783 129 N CB 1.855 40.094 38.487 -0.414 0.000 1.558 129 N HN 1.442 nan 8.380 nan 0.000 0.472 130 G N 1.512 110.088 108.800 -0.375 0.000 2.162 130 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.260 130 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.260 130 G C 0.843 175.256 174.900 -0.811 0.000 0.976 130 G CA 0.629 45.308 45.100 -0.702 0.000 0.655 130 G HN 0.722 nan 8.290 nan 0.000 0.533 131 W N 0.420 121.362 121.300 -0.597 0.000 2.800 131 W HA 0.170 4.830 4.660 -0.000 0.000 0.249 131 W C 1.535 177.888 176.519 -0.276 0.000 1.294 131 W CA 0.916 58.068 57.345 -0.322 0.000 1.402 131 W CB -1.041 28.305 29.460 -0.190 0.000 1.126 131 W HN 0.571 nan 8.180 nan 0.000 0.652 132 Y N 0.943 120.823 120.300 -0.701 0.000 2.457 132 Y HA 0.397 4.947 4.550 -0.000 0.000 0.292 132 Y C 1.991 177.660 175.900 -0.386 0.000 1.125 132 Y CA -0.208 57.465 58.100 -0.712 0.000 1.254 132 Y CB -1.407 36.521 38.460 -0.886 0.000 1.012 132 Y HN 0.041 nan 8.280 nan 0.000 0.555 133 G N 1.493 110.104 108.800 -0.315 0.000 2.660 133 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.321 133 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.321 133 G C 1.044 175.935 174.900 -0.016 0.000 1.246 133 G CA 1.209 46.238 45.100 -0.118 0.000 1.000 133 G HN 1.165 nan 8.290 nan 0.000 0.550 134 A N 0.575 123.354 122.820 -0.068 0.000 2.507 134 A HA 0.783 5.103 4.320 -0.000 0.000 0.270 134 A C 1.233 178.734 177.584 -0.138 0.000 1.318 134 A CA 1.424 53.419 52.037 -0.069 0.000 0.924 134 A CB -0.723 18.245 19.000 -0.053 0.000 1.061 134 A HN 2.331 nan 8.150 nan 0.000 0.516 135 A N -0.315 122.334 122.820 -0.284 0.000 2.520 135 A HA 0.346 4.666 4.320 -0.000 0.000 0.235 135 A C 0.722 178.085 177.584 -0.368 0.000 1.065 135 A CA 1.000 52.735 52.037 -0.503 0.000 0.764 135 A CB 0.199 18.514 19.000 -1.142 0.000 1.002 135 A HN 0.527 nan 8.150 nan 0.000 0.502 136 D N -0.991 119.334 120.400 -0.125 0.000 2.618 136 D HA 0.047 4.687 4.640 -0.000 0.000 0.278 136 D C 0.887 177.345 176.300 0.263 0.000 1.203 136 D CA 0.974 55.050 54.000 0.128 0.000 1.073 136 D CB 0.166 41.001 40.800 0.057 0.000 1.632 136 D HN 0.726 nan 8.370 nan 0.000 0.473 137 T N -1.124 113.532 114.554 0.170 0.000 2.849 137 T HA 0.358 4.708 4.350 -0.000 0.000 0.284 137 T C -1.812 173.047 174.700 0.265 0.000 1.004 137 T CA -1.236 60.968 62.100 0.174 0.000 1.021 137 T CB 1.581 70.508 68.868 0.098 0.000 1.013 137 T HN -0.206 nan 8.240 nan 0.000 0.527 138 P HA -0.058 nan 4.420 nan 0.000 0.215 138 P C 1.055 178.457 177.300 0.169 0.000 1.153 138 P CA 1.061 64.260 63.100 0.165 0.000 0.853 138 P CB -0.026 31.713 31.700 0.066 0.000 0.788 139 D N -0.618 119.851 120.400 0.115 0.000 2.123 139 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 139 D C 1.825 178.182 176.300 0.094 0.000 0.992 139 D CA 1.118 55.170 54.000 0.086 0.000 0.833 139 D CB -0.238 40.596 40.800 0.057 0.000 0.954 139 D HN 0.211 nan 8.370 nan 0.000 0.455 140 E N -0.963 119.290 120.200 0.089 0.000 2.110 140 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 140 E C 1.973 178.584 176.600 0.018 0.000 0.988 140 E CA 0.589 57.003 56.400 0.024 0.000 0.804 140 E CB -0.179 29.497 29.700 -0.040 0.000 0.745 140 E HN 0.378 nan 8.360 nan 0.000 0.458 141 F N 1.075 121.055 119.950 0.050 0.000 2.146 141 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 141 F C 2.463 178.327 175.800 0.107 0.000 1.096 141 F CA 1.118 59.159 58.000 0.068 0.000 1.275 141 F CB -0.439 38.565 39.000 0.006 0.000 1.008 141 F HN -0.010 nan 8.300 nan 0.000 0.480 142 A N 0.324 123.284 122.820 0.233 0.000 1.865 142 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 142 A C 2.390 180.033 177.584 0.099 0.000 1.191 142 A CA 1.527 53.640 52.037 0.126 0.000 0.623 142 A CB -0.619 18.427 19.000 0.077 0.000 0.826 142 A HN 0.175 nan 8.150 nan 0.000 0.444 143 R N -0.425 120.126 120.500 0.086 0.000 2.119 143 R HA -0.192 4.148 4.340 -0.000 0.000 0.246 143 R C 2.339 178.686 176.300 0.078 0.000 1.146 143 R CA 1.525 57.660 56.100 0.059 0.000 0.962 143 R CB -1.147 29.177 30.300 0.041 0.000 0.863 143 R HN 0.559 nan 8.270 nan 0.000 0.442 144 A N 1.111 124.013 122.820 0.136 0.000 2.070 144 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 144 A C 2.362 180.089 177.584 0.239 0.000 1.159 144 A CA 1.513 53.689 52.037 0.232 0.000 0.656 144 A CB -0.570 18.617 19.000 0.311 0.000 0.800 144 A HN 0.262 nan 8.150 nan 0.000 0.453 145 V N -2.177 117.785 119.914 0.080 0.000 2.626 145 V HA -0.231 3.889 4.120 -0.000 0.000 0.252 145 V C 1.770 177.768 176.094 -0.160 0.000 1.067 145 V CA 2.045 64.205 62.300 -0.235 0.000 1.081 145 V CB -1.034 30.640 31.823 -0.248 0.000 0.686 145 V HN 0.602 nan 8.190 nan 0.000 0.468 146 E N 0.987 121.155 120.200 -0.053 0.000 2.026 146 E HA -0.314 4.036 4.350 -0.000 0.000 0.206 146 E C 2.359 178.942 176.600 -0.027 0.000 1.028 146 E CA 2.296 58.676 56.400 -0.034 0.000 0.845 146 E CB -0.385 29.312 29.700 -0.005 0.000 0.772 146 E HN 0.643 nan 8.360 nan 0.000 0.462 147 R N 0.563 121.066 120.500 0.005 0.000 2.122 147 R HA -0.168 4.172 4.340 -0.000 0.000 0.236 147 R C -0.587 175.736 176.300 0.038 0.000 1.129 147 R CA 2.644 58.762 56.100 0.030 0.000 0.925 147 R CB -1.181 29.155 30.300 0.060 0.000 0.850 147 R HN 0.188 nan 8.270 nan 0.000 0.431 148 P HA -0.179 nan 4.420 nan 0.000 0.215 148 P C 1.417 178.780 177.300 0.105 0.000 1.153 148 P CA 1.558 64.699 63.100 0.068 0.000 0.853 148 P CB -0.176 31.374 31.700 -0.249 0.000 0.788 149 L N -0.567 120.630 121.223 -0.043 0.000 2.093 149 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 149 L C 2.698 179.558 176.870 -0.017 0.000 1.085 149 L CA 1.584 56.401 54.840 -0.037 0.000 0.755 149 L CB -0.851 41.156 42.059 -0.087 0.000 0.904 149 L HN -0.018 nan 8.230 nan 0.000 0.435 150 K N 0.475 120.868 120.400 -0.012 0.000 2.057 150 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 150 K C 1.732 178.318 176.600 -0.023 0.000 1.049 150 K CA 1.272 57.550 56.287 -0.014 0.000 0.931 150 K CB -0.139 32.358 32.500 -0.005 0.000 0.714 150 K HN 0.335 nan 8.250 nan 0.000 0.440 151 E N -0.186 120.014 120.200 -0.000 0.000 2.515 151 E HA -0.078 4.272 4.350 -0.000 0.000 0.201 151 E C 0.765 177.247 176.600 -0.196 0.000 1.071 151 E CA 0.423 56.792 56.400 -0.053 0.000 0.880 151 E CB -0.004 29.729 29.700 0.055 0.000 0.828 151 E HN 0.556 nan 8.360 nan 0.000 0.540 152 G N 0.453 109.172 108.800 -0.134 0.000 2.157 152 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.239 152 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.239 152 G C -0.261 174.525 174.900 -0.191 0.000 0.982 152 G CA -0.260 44.742 45.100 -0.163 0.000 0.650 152 G HN 0.216 nan 8.290 nan 0.000 0.527 153 Y N 0.299 120.564 120.300 -0.059 0.000 2.359 153 Y HA 0.442 4.992 4.550 -0.000 0.000 0.330 153 Y C 1.705 177.565 175.900 -0.068 0.000 1.143 153 Y CA 1.032 59.093 58.100 -0.064 0.000 1.318 153 Y CB 1.574 39.987 38.460 -0.079 0.000 1.234 153 Y HN 0.081 nan 8.280 nan 0.000 0.522 154 G N 1.183 110.051 108.800 0.114 0.000 3.126 154 G HA2 0.469 4.429 3.960 -0.000 0.000 0.224 154 G HA3 0.469 4.429 3.960 -0.000 0.000 0.224 154 G C -0.144 174.775 174.900 0.031 0.000 1.142 154 G CA 0.493 45.621 45.100 0.048 0.000 0.759 154 G HN 0.739 nan 8.290 nan 0.000 0.550 155 A N -0.048 122.809 122.820 0.061 0.000 2.520 155 A HA 0.789 5.109 4.320 -0.000 0.000 0.298 155 A C -1.416 176.167 177.584 -0.002 0.000 1.051 155 A CA -0.493 51.554 52.037 0.016 0.000 0.690 155 A CB 1.336 20.363 19.000 0.045 0.000 1.281 155 A HN 0.143 nan 8.150 nan 0.000 0.402 156 L N 1.066 122.259 121.223 -0.050 0.000 2.370 156 L HA 0.698 5.038 4.340 -0.000 0.000 0.266 156 L C -0.178 176.836 176.870 0.239 0.000 1.002 156 L CA -0.695 54.164 54.840 0.033 0.000 0.818 156 L CB 2.420 44.325 42.059 -0.256 0.000 1.325 156 L HN 0.794 nan 8.230 nan 0.000 0.418 157 K N 2.750 123.462 120.400 0.521 0.000 2.443 157 K HA 0.706 5.026 4.320 -0.000 0.000 0.252 157 K C -1.587 175.384 176.600 0.619 0.000 0.933 157 K CA -0.432 56.030 56.287 0.291 0.000 0.792 157 K CB 1.714 34.143 32.500 -0.118 0.000 1.185 157 K HN 0.517 nan 8.250 nan 0.000 0.425 158 F N 0.300 120.249 119.950 -0.003 0.000 2.754 158 F HA 0.523 5.050 4.527 -0.000 0.000 0.320 158 F C -1.556 173.997 175.800 -0.412 0.000 1.156 158 F CA -1.338 56.596 58.000 -0.109 0.000 0.950 158 F CB 1.001 39.993 39.000 -0.013 0.000 1.388 158 F HN 0.230 nan 8.300 nan 0.000 0.485 159 Y N 1.214 121.377 120.300 -0.230 0.000 2.863 159 Y HA 0.363 4.913 4.550 -0.000 0.000 0.348 159 Y C -2.001 173.796 175.900 -0.171 0.000 1.028 159 Y CA -2.788 55.191 58.100 -0.201 0.000 1.213 159 Y CB 0.300 38.712 38.460 -0.080 0.000 1.120 159 Y HN 0.350 nan 8.280 nan 0.000 0.598 160 P HA -0.175 nan 4.420 nan 0.000 0.220 160 P C 0.890 178.134 177.300 -0.093 0.000 1.144 160 P CA 1.471 64.494 63.100 -0.127 0.000 0.800 160 P CB 0.595 32.240 31.700 -0.091 0.000 0.772 161 L N -1.811 119.366 121.223 -0.077 0.000 2.477 161 L HA 0.210 4.550 4.340 -0.000 0.000 0.220 161 L C 1.630 178.503 176.870 0.004 0.000 1.106 161 L CA -0.131 54.657 54.840 -0.086 0.000 0.851 161 L CB -0.644 41.346 42.059 -0.114 0.000 0.994 161 L HN -0.126 nan 8.230 nan 0.000 0.462 162 A N 0.010 122.868 122.820 0.063 0.000 2.327 162 A HA 0.437 4.757 4.320 -0.000 0.000 0.255 162 A C 0.038 177.619 177.584 -0.005 0.000 1.099 162 A CA -0.060 51.988 52.037 0.017 0.000 0.801 162 A CB 0.571 19.547 19.000 -0.040 0.000 1.062 162 A HN 0.149 nan 8.150 nan 0.000 0.496 170 Q N 0.373 119.994 119.800 -0.298 0.000 2.290 170 Q HA 0.567 4.907 4.340 -0.000 0.000 0.259 170 Q C -0.985 174.842 176.000 -0.288 0.000 0.941 170 Q CA -0.466 55.183 55.803 -0.257 0.000 0.912 170 Q CB 0.943 29.615 28.738 -0.110 0.000 1.244 170 Q HN 0.847 nan 8.270 nan 0.000 0.441 171 H N 0.341 119.400 119.070 -0.018 0.000 2.437 171 H HA 0.307 4.863 4.556 -0.000 0.000 0.338 171 H C -0.223 175.100 175.328 -0.008 0.000 1.495 171 H CA -0.874 55.168 56.048 -0.009 0.000 1.453 171 H CB 0.748 30.516 29.762 0.010 0.000 1.707 171 H HN 0.350 nan 8.280 nan 0.000 0.655 172 V N 1.213 121.216 119.914 0.148 0.000 2.694 172 V HA -0.063 4.057 4.120 -0.000 0.000 0.306 172 V C 0.372 176.496 176.094 0.049 0.000 1.054 172 V CA 0.585 62.920 62.300 0.058 0.000 1.161 172 V CB 0.481 32.318 31.823 0.024 0.000 0.916 172 V HN 0.689 nan 8.190 nan 0.000 0.490 173 T N 6.529 121.099 114.554 0.026 0.000 2.767 173 T HA 0.370 4.719 4.350 -0.000 0.000 0.288 173 T C 0.654 175.363 174.700 0.015 0.000 0.963 173 T CA -0.473 61.641 62.100 0.022 0.000 1.019 173 T CB 0.340 69.216 68.868 0.013 0.000 0.923 173 T HN 0.728 nan 8.240 nan 0.000 0.468 174 R N 2.608 123.118 120.500 0.018 0.000 3.502 174 R HA -0.225 4.115 4.340 -0.000 0.000 0.266 174 R C 0.256 176.560 176.300 0.007 0.000 1.077 174 R CA 0.351 56.459 56.100 0.013 0.000 0.718 174 R CB -1.548 28.758 30.300 0.008 0.000 1.120 174 R HN 0.739 nan 8.270 nan 0.000 0.457 175 R N -1.714 118.790 120.500 0.007 0.000 3.610 175 R HA -0.218 4.122 4.340 -0.000 0.000 0.274 175 R C -0.381 175.913 176.300 -0.010 0.000 1.123 175 R CA 1.259 57.358 56.100 -0.002 0.000 0.747 175 R CB -1.334 28.967 30.300 0.001 0.000 1.149 175 R HN 0.373 nan 8.270 nan 0.000 0.471 179 A N 0.633 123.456 122.820 0.005 0.000 2.019 179 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 179 A C 1.679 179.276 177.584 0.023 0.000 1.164 179 A CA 2.068 54.112 52.037 0.013 0.000 0.644 179 A CB -1.078 17.930 19.000 0.014 0.000 0.805 179 A HN 0.871 nan 8.150 nan 0.000 0.449 180 E N 0.345 120.557 120.200 0.021 0.000 2.047 180 E HA 0.015 4.365 4.350 -0.000 0.000 0.191 180 E C 2.214 178.832 176.600 0.031 0.000 0.987 180 E CA 1.313 57.731 56.400 0.030 0.000 0.799 180 E CB -0.547 29.168 29.700 0.025 0.000 0.752 180 E HN 0.552 nan 8.360 nan 0.000 0.449 181 A N 0.845 123.673 122.820 0.013 0.000 1.902 181 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 181 A C 2.273 179.848 177.584 -0.014 0.000 1.181 181 A CA 1.211 53.248 52.037 0.000 0.000 0.623 181 A CB -0.677 18.313 19.000 -0.016 0.000 0.818 181 A HN 0.192 nan 8.150 nan 0.000 0.443 182 I N -0.575 119.982 120.570 -0.022 0.000 2.252 182 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 182 I C 2.538 178.709 176.117 0.090 0.000 1.102 182 I CA 1.727 63.004 61.300 -0.039 0.000 1.385 182 I CB -0.317 37.667 38.000 -0.026 0.000 1.064 182 I HN 0.423 nan 8.210 nan 0.000 0.414 183 E N 1.775 122.036 120.200 0.102 0.000 2.077 183 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 183 E C 2.169 178.885 176.600 0.194 0.000 0.989 183 E CA 1.401 57.900 56.400 0.165 0.000 0.800 183 E CB -0.422 29.344 29.700 0.110 0.000 0.746 183 E HN 0.468 nan 8.360 nan 0.000 0.452 184 L N -0.351 120.941 121.223 0.115 0.000 2.046 184 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 184 L C 2.304 179.226 176.870 0.086 0.000 1.077 184 L CA 1.469 56.362 54.840 0.089 0.000 0.747 184 L CB -0.537 41.557 42.059 0.059 0.000 0.896 184 L HN 0.309 nan 8.230 nan 0.000 0.432 185 A N -0.513 122.357 122.820 0.083 0.000 1.892 185 A HA -0.345 3.975 4.320 -0.000 0.000 0.218 185 A C 2.144 179.902 177.584 0.291 0.000 1.188 185 A CA 2.081 54.167 52.037 0.081 0.000 0.631 185 A CB -1.180 17.735 19.000 -0.142 0.000 0.822 185 A HN 0.663 nan 8.150 nan 0.000 0.447 186 Y N 0.623 121.112 120.300 0.315 0.000 2.145 186 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 186 Y C 2.418 178.379 175.900 0.102 0.000 1.145 186 Y CA 2.040 60.282 58.100 0.236 0.000 1.148 186 Y CB -0.241 38.321 38.460 0.170 0.000 0.981 186 Y HN 0.186 nan 8.280 nan 0.000 0.507 187 R N 0.607 121.029 120.500 -0.131 0.000 2.096 187 R HA -0.119 4.220 4.340 -0.000 0.000 0.235 187 R C 2.316 178.512 176.300 -0.174 0.000 1.127 187 R CA 1.584 57.548 56.100 -0.228 0.000 0.968 187 R CB -0.682 29.596 30.300 -0.037 0.000 0.861 187 R HN 0.460 nan 8.270 nan 0.000 0.440 188 R N 0.079 120.509 120.500 -0.117 0.000 2.073 188 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 188 R C 2.335 178.566 176.300 -0.114 0.000 1.134 188 R CA 1.481 57.458 56.100 -0.206 0.000 0.952 188 R CB -0.468 29.559 30.300 -0.455 0.000 0.850 188 R HN 0.005 nan 8.270 nan 0.000 0.433 189 V N 1.422 121.342 119.914 0.010 0.000 2.343 189 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 189 V C 2.381 178.462 176.094 -0.022 0.000 1.051 189 V CA 1.767 64.156 62.300 0.148 0.000 1.036 189 V CB -0.476 31.393 31.823 0.077 0.000 0.654 189 V HN 0.322 nan 8.190 nan 0.000 0.451 190 K N 0.391 120.658 120.400 -0.223 0.000 2.057 190 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 190 K C 2.225 178.750 176.600 -0.126 0.000 1.050 190 K CA 1.450 57.593 56.287 -0.240 0.000 0.935 190 K CB -0.334 31.879 32.500 -0.478 0.000 0.715 190 K HN 0.405 nan 8.250 nan 0.000 0.439 191 A N 0.672 123.426 122.820 -0.109 0.000 1.933 191 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 191 A C 2.201 179.771 177.584 -0.023 0.000 1.175 191 A CA 1.605 53.617 52.037 -0.042 0.000 0.628 191 A CB -0.568 18.433 19.000 0.001 0.000 0.814 191 A HN 0.187 nan 8.150 nan 0.000 0.444 192 V N 0.063 119.951 119.914 -0.042 0.000 2.358 192 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 192 V C 2.669 178.730 176.094 -0.054 0.000 1.047 192 V CA 2.264 64.525 62.300 -0.065 0.000 1.035 192 V CB -0.766 30.912 31.823 -0.241 0.000 0.658 192 V HN 0.677 nan 8.190 nan 0.000 0.452 193 R N 0.940 121.423 120.500 -0.028 0.000 2.092 193 R HA -0.136 4.204 4.340 -0.000 0.000 0.231 193 R C 1.761 178.041 176.300 -0.033 0.000 1.119 193 R CA 1.824 57.910 56.100 -0.024 0.000 0.970 193 R CB -0.863 29.428 30.300 -0.015 0.000 0.864 193 R HN 0.487 nan 8.270 nan 0.000 0.440 194 D N 0.071 120.451 120.400 -0.034 0.000 2.117 194 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 194 D C 1.640 177.924 176.300 -0.026 0.000 0.982 194 D CA 1.788 55.772 54.000 -0.027 0.000 0.828 194 D CB -0.300 40.485 40.800 -0.025 0.000 0.967 194 D HN 0.388 nan 8.370 nan 0.000 0.464 195 A N 0.744 123.547 122.820 -0.029 0.000 1.929 195 A HA 0.128 4.448 4.320 -0.000 0.000 0.216 195 A C 2.198 179.750 177.584 -0.053 0.000 1.176 195 A CA 1.624 53.643 52.037 -0.031 0.000 0.628 195 A CB -0.339 18.651 19.000 -0.017 0.000 0.816 195 A HN 0.215 nan 8.150 nan 0.000 0.444 196 A N -1.315 121.462 122.820 -0.073 0.000 2.123 196 A HA 0.459 4.779 4.320 -0.000 0.000 0.214 196 A C 1.461 179.007 177.584 -0.064 0.000 1.152 196 A CA 1.294 53.275 52.037 -0.093 0.000 0.728 196 A CB -0.945 17.977 19.000 -0.131 0.000 0.814 196 A HN 2.097 nan 8.150 nan 0.000 0.464 197 G N -1.003 107.770 108.800 -0.046 0.000 2.746 197 G HA2 -0.101 3.858 3.960 -0.000 0.000 0.685 197 G HA3 -0.101 3.858 3.960 -0.000 0.000 0.685 197 G C -1.504 173.377 174.900 -0.031 0.000 1.350 197 G CA -0.207 44.872 45.100 -0.034 0.000 0.837 197 G HN 0.165 nan 8.290 nan 0.000 0.564 198 P HA 0.049 nan 4.420 nan 0.000 0.237 198 P C 0.893 178.181 177.300 -0.019 0.000 1.178 198 P CA 1.181 64.269 63.100 -0.019 0.000 0.766 198 P CB 0.254 31.945 31.700 -0.014 0.000 0.876 199 E N -0.748 119.439 120.200 -0.021 0.000 2.400 199 E HA 0.079 4.429 4.350 -0.000 0.000 0.195 199 E C 0.601 177.188 176.600 -0.022 0.000 1.012 199 E CA -0.087 56.302 56.400 -0.018 0.000 0.875 199 E CB 0.201 29.893 29.700 -0.014 0.000 0.859 199 E HN 0.207 nan 8.360 nan 0.000 0.498 200 I N 2.356 122.906 120.570 -0.034 0.000 2.428 200 I HA 0.079 4.249 4.170 -0.000 0.000 0.289 200 I C 0.486 176.577 176.117 -0.043 0.000 1.019 200 I CA -0.107 61.167 61.300 -0.043 0.000 1.351 200 I CB 0.789 38.745 38.000 -0.073 0.000 1.412 200 I HN -0.072 nan 8.210 nan 0.000 0.513 201 E N 6.044 126.217 120.200 -0.044 0.000 2.289 201 E HA 0.450 4.800 4.350 -0.000 0.000 0.278 201 E C -0.603 175.945 176.600 -0.087 0.000 1.032 201 E CA -0.328 56.034 56.400 -0.064 0.000 0.854 201 E CB 1.432 31.094 29.700 -0.063 0.000 1.046 201 E HN 0.396 nan 8.360 nan 0.000 0.409 205 D N 4.322 124.408 120.400 -0.524 0.000 2.274 205 D HA 0.485 5.125 4.640 -0.000 0.000 0.239 205 D C 0.596 176.768 176.300 -0.214 0.000 1.104 205 D CA -0.241 53.532 54.000 -0.379 0.000 0.840 205 D CB 1.946 42.337 40.800 -0.682 0.000 1.100 205 D HN 0.514 nan 8.370 nan 0.000 0.477 206 L N 2.313 123.486 121.223 -0.083 0.000 2.585 206 L HA 0.070 4.410 4.340 -0.000 0.000 0.226 206 L C 1.276 178.122 176.870 -0.040 0.000 1.113 206 L CA -0.206 54.612 54.840 -0.036 0.000 0.876 206 L CB -0.098 41.946 42.059 -0.024 0.000 1.072 206 L HN 0.436 nan 8.230 nan 0.000 0.468 207 S N 0.788 116.449 115.700 -0.065 0.000 3.462 207 S HA -0.250 4.220 4.470 -0.000 0.000 0.370 207 S C 1.180 175.693 174.600 -0.145 0.000 1.028 207 S CA 1.038 59.124 58.200 -0.190 0.000 1.119 207 S CB -1.087 61.701 63.200 -0.687 0.000 0.906 207 S HN 0.923 nan 8.310 nan 0.000 0.471 208 G N -1.607 107.150 108.800 -0.071 0.000 2.316 208 G HA2 0.215 4.175 3.960 -0.000 0.000 0.203 208 G HA3 0.215 4.175 3.960 -0.000 0.000 0.203 208 G C 1.234 176.119 174.900 -0.024 0.000 0.999 208 G CA 0.625 45.701 45.100 -0.040 0.000 0.649 208 G HN 2.142 nan 8.290 nan 0.000 0.489 209 G N -0.077 108.704 108.800 -0.032 0.000 2.574 209 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.282 209 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.282 209 G C 0.506 175.387 174.900 -0.032 0.000 1.257 209 G CA 0.700 45.779 45.100 -0.034 0.000 0.956 209 G HN 1.324 nan 8.290 nan 0.000 0.560 210 L N -0.273 120.931 121.223 -0.031 0.000 2.755 210 L HA 0.628 4.968 4.340 -0.000 0.000 0.243 210 L C 1.536 178.401 176.870 -0.008 0.000 1.579 210 L CA -0.249 54.576 54.840 -0.025 0.000 1.669 210 L CB 0.354 42.391 42.059 -0.038 0.000 2.294 210 L HN 0.935 nan 8.230 nan 0.000 0.588 211 T N -3.462 111.089 114.554 -0.005 0.000 2.904 211 T HA 0.125 4.475 4.350 -0.000 0.000 0.290 211 T C 0.984 175.687 174.700 0.005 0.000 1.018 211 T CA -0.305 61.795 62.100 0.000 0.000 1.075 211 T CB 1.282 70.149 68.868 -0.001 0.000 0.986 211 T HN 0.534 nan 8.240 nan 0.000 0.523 212 T N 2.221 116.779 114.554 0.006 0.000 2.602 212 T HA -0.276 4.074 4.350 -0.000 0.000 0.264 212 T C 1.775 176.483 174.700 0.014 0.000 1.085 212 T CA 2.260 64.365 62.100 0.010 0.000 1.164 212 T CB -0.778 68.094 68.868 0.006 0.000 0.860 212 T HN 0.963 nan 8.240 nan 0.000 0.442 213 D N 1.532 121.938 120.400 0.011 0.000 2.092 213 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 213 D C 1.924 178.237 176.300 0.022 0.000 0.994 213 D CA 1.272 55.279 54.000 0.013 0.000 0.828 213 D CB -0.554 40.251 40.800 0.007 0.000 0.963 213 D HN 0.291 nan 8.370 nan 0.000 0.450 214 E N 0.167 120.380 120.200 0.021 0.000 2.106 214 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 214 E C 2.316 178.955 176.600 0.064 0.000 0.984 214 E CA 1.075 57.494 56.400 0.031 0.000 0.806 214 E CB -0.704 29.002 29.700 0.009 0.000 0.750 214 E HN 0.419 nan 8.360 nan 0.000 0.458 215 T N 1.679 116.265 114.554 0.053 0.000 2.746 215 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 215 T C 2.120 176.887 174.700 0.111 0.000 1.039 215 T CA 0.869 63.021 62.100 0.086 0.000 1.142 215 T CB -0.190 68.707 68.868 0.049 0.000 0.866 215 T HN 0.104 nan 8.240 nan 0.000 0.444 216 I N 0.681 121.289 120.570 0.063 0.000 2.179 216 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 216 I C 2.810 178.951 176.117 0.040 0.000 1.088 216 I CA 1.290 62.614 61.300 0.041 0.000 1.357 216 I CB -0.349 37.663 38.000 0.021 0.000 1.051 216 I HN 0.142 nan 8.210 nan 0.000 0.409 217 R N 0.712 121.243 120.500 0.050 0.000 2.083 217 R HA -0.247 4.093 4.340 -0.000 0.000 0.237 217 R C 2.458 178.791 176.300 0.055 0.000 1.137 217 R CA 1.894 58.016 56.100 0.037 0.000 0.951 217 R CB -0.465 29.859 30.300 0.039 0.000 0.851 217 R HN 0.242 nan 8.270 nan 0.000 0.434 218 F N 0.952 120.883 119.950 -0.032 0.000 2.102 218 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 218 F C 2.194 177.983 175.800 -0.019 0.000 1.105 218 F CA 1.458 59.442 58.000 -0.026 0.000 1.239 218 F CB -0.645 38.346 39.000 -0.015 0.000 0.991 218 F HN 0.091 nan 8.300 nan 0.000 0.474 219 C N 0.701 119.975 119.300 -0.044 0.000 2.411 219 C HA -0.148 4.312 4.460 -0.000 0.000 0.279 219 C C 2.825 177.719 174.990 -0.159 0.000 1.288 219 C CA 1.125 60.062 59.018 -0.134 0.000 1.764 219 C CB -1.358 26.377 27.740 -0.008 0.000 1.974 219 C HN 0.445 nan 8.230 nan 0.000 0.498 220 R N 0.635 121.068 120.500 -0.111 0.000 2.073 220 R HA -0.097 4.243 4.340 -0.000 0.000 0.229 220 R C 2.329 178.544 176.300 -0.141 0.000 1.120 220 R CA 1.029 57.070 56.100 -0.098 0.000 0.967 220 R CB -0.280 29.981 30.300 -0.064 0.000 0.862 220 R HN 0.521 nan 8.270 nan 0.000 0.436 221 K N 1.451 121.731 120.400 -0.201 0.000 2.097 221 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 221 K C 1.821 178.297 176.600 -0.207 0.000 1.049 221 K CA 1.415 57.545 56.287 -0.261 0.000 0.933 221 K CB -0.027 32.258 32.500 -0.359 0.000 0.717 221 K HN 0.295 nan 8.250 nan 0.000 0.442 222 I N -3.288 117.125 120.570 -0.263 0.000 3.793 222 I HA 0.199 4.369 4.170 -0.000 0.000 0.315 222 I C 1.634 177.689 176.117 -0.103 0.000 1.275 222 I CA 0.273 61.485 61.300 -0.146 0.000 1.214 222 I CB -0.045 37.759 38.000 -0.327 0.000 1.018 222 I HN -0.014 nan 8.210 nan 0.000 0.439 223 G N 1.841 110.579 108.800 -0.104 0.000 2.440 223 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 223 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 223 G C 1.264 176.141 174.900 -0.038 0.000 1.154 223 G CA 0.769 45.829 45.100 -0.068 0.000 0.767 223 G HN 0.416 nan 8.290 nan 0.000 0.552 224 E N 0.101 120.288 120.200 -0.021 0.000 2.409 224 E HA 0.052 4.402 4.350 -0.000 0.000 0.198 224 E C 2.057 178.658 176.600 0.003 0.000 1.024 224 E CA 0.167 56.565 56.400 -0.003 0.000 0.861 224 E CB -0.167 29.540 29.700 0.013 0.000 0.788 224 E HN 0.454 nan 8.360 nan 0.000 0.521 225 L N 0.425 121.647 121.223 -0.001 0.000 2.629 225 L HA 0.093 4.433 4.340 -0.000 0.000 0.230 225 L C -0.078 176.781 176.870 -0.018 0.000 1.151 225 L CA -0.259 54.577 54.840 -0.006 0.000 0.924 225 L CB -0.427 41.627 42.059 -0.008 0.000 1.137 225 L HN 0.048 nan 8.230 nan 0.000 0.457 226 D N 1.752 122.139 120.400 -0.022 0.000 3.278 226 D HA -0.202 4.438 4.640 -0.000 0.000 0.233 226 D C -0.436 175.841 176.300 -0.038 0.000 1.149 226 D CA 0.316 54.301 54.000 -0.025 0.000 0.957 226 D CB -0.243 40.546 40.800 -0.019 0.000 0.913 226 D HN -0.034 nan 8.370 nan 0.000 0.409 227 I N 3.006 123.546 120.570 -0.050 0.000 2.342 227 I HA 0.102 4.271 4.170 -0.000 0.000 0.291 227 I C 2.155 178.225 176.117 -0.078 0.000 1.010 227 I CA -0.686 60.566 61.300 -0.081 0.000 1.308 227 I CB 0.458 38.399 38.000 -0.098 0.000 1.400 227 I HN 0.537 nan 8.210 nan 0.000 0.488 228 C N 7.736 126.954 119.300 -0.136 0.000 2.413 228 C HA -0.105 4.355 4.460 -0.000 0.000 0.277 228 C C 0.685 175.686 174.990 0.020 0.000 1.228 228 C CA 0.898 59.850 59.018 -0.109 0.000 1.731 228 C CB -0.716 26.873 27.740 -0.252 0.000 2.042 228 C HN 0.737 nan 8.230 nan 0.000 0.468 229 F N -2.562 117.332 119.950 -0.094 0.000 2.769 229 F HA 0.546 5.073 4.527 -0.000 0.000 0.313 229 F C -1.282 174.445 175.800 -0.120 0.000 1.146 229 F CA -1.529 56.414 58.000 -0.094 0.000 0.934 229 F CB 0.614 39.562 39.000 -0.086 0.000 1.283 229 F HN -0.139 nan 8.300 nan 0.000 0.443 230 V N 2.065 122.141 119.914 0.270 0.000 2.398 230 V HA 0.532 4.652 4.120 -0.000 0.000 0.286 230 V C -0.649 175.558 176.094 0.189 0.000 1.026 230 V CA -0.149 62.231 62.300 0.132 0.000 0.868 230 V CB 1.407 33.257 31.823 0.045 0.000 0.982 230 V HN 0.977 nan 8.190 nan 0.000 0.443 231 E N 4.429 124.714 120.200 0.142 0.000 2.216 231 E HA 0.336 4.686 4.350 -0.000 0.000 0.279 231 E C -0.170 176.435 176.600 0.008 0.000 0.997 231 E CA -0.358 56.092 56.400 0.084 0.000 0.817 231 E CB 0.781 30.552 29.700 0.120 0.000 1.096 231 E HN 0.834 nan 8.360 nan 0.000 0.393 232 E N 3.116 123.306 120.200 -0.016 0.000 2.197 232 E HA -0.175 4.175 4.350 -0.000 0.000 0.184 232 E C -1.839 174.747 176.600 -0.022 0.000 1.439 232 E CA 0.082 56.462 56.400 -0.033 0.000 0.688 232 E CB -0.402 29.272 29.700 -0.043 0.000 1.090 232 E HN 0.536 nan 8.360 nan 0.000 0.341 233 P HA -0.122 nan 4.420 nan 0.000 0.225 233 P C 0.720 178.020 177.300 0.000 0.000 1.148 233 P CA 1.169 64.273 63.100 0.006 0.000 0.779 233 P CB -0.069 31.640 31.700 0.016 0.000 0.780 234 C N -3.073 116.222 119.300 -0.010 0.000 3.291 234 C HA 0.526 4.986 4.460 -0.000 0.000 0.316 234 C C -0.181 174.805 174.990 -0.006 0.000 1.391 234 C CA -1.383 57.633 59.018 -0.004 0.000 1.394 234 C CB 0.974 28.714 27.740 0.001 0.000 1.744 234 C HN -0.007 nan 8.230 nan 0.000 0.461 235 D N 1.829 122.237 120.400 0.013 0.000 2.533 235 D HA 0.127 4.767 4.640 -0.000 0.000 0.236 235 D C -1.327 174.991 176.300 0.029 0.000 1.137 235 D CA -0.503 53.517 54.000 0.034 0.000 0.867 235 D CB 1.237 42.087 40.800 0.082 0.000 1.170 235 D HN 0.395 nan 8.370 nan 0.000 0.474 236 P HA -0.096 nan 4.420 nan 0.000 0.221 236 P C 1.278 178.567 177.300 -0.019 0.000 1.145 236 P CA 0.806 63.861 63.100 -0.076 0.000 0.795 236 P CB -0.000 31.608 31.700 -0.153 0.000 0.775 237 F N -0.671 119.250 119.950 -0.048 0.000 2.325 237 F HA -0.068 4.458 4.527 -0.000 0.000 0.299 237 F C 1.025 176.802 175.800 -0.038 0.000 1.090 237 F CA 0.207 58.187 58.000 -0.034 0.000 1.392 237 F CB 0.262 39.254 39.000 -0.013 0.000 1.053 237 F HN -0.180 nan 8.300 nan 0.000 0.521 238 D N 0.363 120.862 120.400 0.165 0.000 2.499 238 D HA 0.039 4.679 4.640 -0.000 0.000 0.225 238 D C 0.359 176.675 176.300 0.026 0.000 1.124 238 D CA 0.009 54.050 54.000 0.067 0.000 0.938 238 D CB -0.047 40.776 40.800 0.039 0.000 1.014 238 D HN 0.063 nan 8.370 nan 0.000 0.517 239 N N 1.462 120.171 118.700 0.016 0.000 2.494 239 N HA -0.044 4.696 4.740 -0.000 0.000 0.182 239 N C 1.732 177.237 175.510 -0.010 0.000 1.076 239 N CA 0.366 53.408 53.050 -0.014 0.000 0.908 239 N CB 0.331 38.800 38.487 -0.030 0.000 0.967 239 N HN 0.496 nan 8.380 nan 0.000 0.449 240 G N 0.616 109.415 108.800 -0.002 0.000 2.394 240 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.215 240 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.215 240 G C 1.611 176.510 174.900 -0.002 0.000 1.165 240 G CA 0.840 45.938 45.100 -0.002 0.000 0.784 240 G HN 0.370 nan 8.290 nan 0.000 0.535 241 A N 0.322 123.142 122.820 -0.001 0.000 1.969 241 A HA 0.114 4.434 4.320 -0.000 0.000 0.218 241 A C 2.311 179.893 177.584 -0.002 0.000 1.169 241 A CA 1.521 53.558 52.037 0.000 0.000 0.635 241 A CB -0.365 18.637 19.000 0.003 0.000 0.810 241 A HN 0.398 nan 8.150 nan 0.000 0.445 242 L N -0.124 121.094 121.223 -0.008 0.000 2.017 242 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 242 L C 2.241 179.105 176.870 -0.009 0.000 1.073 242 L CA 2.694 57.526 54.840 -0.014 0.000 0.745 242 L CB -0.599 41.442 42.059 -0.030 0.000 0.894 242 L HN 0.337 nan 8.230 nan 0.000 0.432 243 K N -0.793 119.603 120.400 -0.007 0.000 2.026 243 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 243 K C 1.901 178.502 176.600 0.002 0.000 1.048 243 K CA 2.009 58.295 56.287 -0.001 0.000 0.929 243 K CB -0.705 31.796 32.500 0.001 0.000 0.713 243 K HN 0.231 nan 8.250 nan 0.000 0.439 244 V N 1.084 120.999 119.914 0.001 0.000 2.287 244 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 244 V C 2.304 178.400 176.094 0.004 0.000 1.053 244 V CA 2.112 64.414 62.300 0.003 0.000 1.027 244 V CB -0.402 31.422 31.823 0.002 0.000 0.646 244 V HN 0.301 nan 8.190 nan 0.000 0.447 245 I N 0.992 121.564 120.570 0.004 0.000 2.163 245 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 245 I C 2.703 178.823 176.117 0.005 0.000 1.085 245 I CA 1.911 63.215 61.300 0.006 0.000 1.347 245 I CB -0.549 37.456 38.000 0.008 0.000 1.044 245 I HN 0.498 nan 8.210 nan 0.000 0.408 246 S N 0.497 116.199 115.700 0.003 0.000 2.400 246 S HA -0.210 4.260 4.470 -0.000 0.000 0.232 246 S C 1.640 176.243 174.600 0.005 0.000 1.025 246 S CA 1.316 59.519 58.200 0.004 0.000 0.993 246 S CB -0.548 62.654 63.200 0.003 0.000 0.808 246 S HN 0.559 nan 8.310 nan 0.000 0.478 247 E N 0.269 120.472 120.200 0.005 0.000 2.442 247 E HA 0.078 4.428 4.350 -0.000 0.000 0.195 247 E C 1.556 178.158 176.600 0.002 0.000 1.030 247 E CA 0.333 56.736 56.400 0.005 0.000 0.869 247 E CB 0.044 29.747 29.700 0.006 0.000 0.857 247 E HN 0.504 nan 8.360 nan 0.000 0.505 248 Q N 0.026 119.827 119.800 0.002 0.000 2.281 248 Q HA 0.212 4.552 4.340 -0.000 0.000 0.215 248 Q C 0.900 176.898 176.000 -0.003 0.000 0.867 248 Q CA 0.174 55.977 55.803 -0.000 0.000 0.940 248 Q CB 0.955 29.694 28.738 0.001 0.000 1.111 248 Q HN 0.375 nan 8.270 nan 0.000 0.513 249 I N -2.396 118.173 120.570 -0.002 0.000 2.797 249 I HA 0.482 4.652 4.170 -0.000 0.000 0.307 249 I C -1.851 174.261 176.117 -0.009 0.000 1.033 249 I CA -2.334 58.962 61.300 -0.008 0.000 1.071 249 I CB 2.219 40.217 38.000 -0.005 0.000 1.255 249 I HN -0.294 nan 8.210 nan 0.000 0.445 250 P HA 0.235 nan 4.420 nan 0.000 0.255 250 P C -0.162 177.132 177.300 -0.010 0.000 1.248 250 P CA 0.278 63.370 63.100 -0.014 0.000 0.807 250 P CB 0.369 32.057 31.700 -0.021 0.000 1.150 251 L N 1.112 122.329 121.223 -0.009 0.000 2.307 251 L HA 0.453 4.792 4.340 -0.000 0.000 0.282 251 L C -2.330 174.554 176.870 0.023 0.000 1.051 251 L CA -2.517 52.324 54.840 0.003 0.000 0.804 251 L CB 0.833 42.888 42.059 -0.008 0.000 1.197 251 L HN -0.271 nan 8.230 nan 0.000 0.431 252 P HA 0.264 nan 4.420 nan 0.000 0.271 252 P C -0.735 176.599 177.300 0.057 0.000 1.218 252 P CA 0.007 63.136 63.100 0.048 0.000 0.780 252 P CB 0.775 32.518 31.700 0.072 0.000 0.901 253 I N 1.144 121.716 120.570 0.003 0.000 2.562 253 I HA 0.668 4.837 4.170 -0.000 0.000 0.301 253 I C -0.058 175.981 176.117 -0.129 0.000 1.003 253 I CA -0.799 60.486 61.300 -0.024 0.000 1.127 253 I CB 1.924 39.912 38.000 -0.020 0.000 1.304 253 I HN 0.286 nan 8.210 nan 0.000 0.446 254 A N 5.361 128.074 122.820 -0.179 0.000 2.393 254 A HA 0.881 5.201 4.320 -0.000 0.000 0.306 254 A C -0.853 176.640 177.584 -0.153 0.000 1.050 254 A CA -0.493 51.361 52.037 -0.305 0.000 0.724 254 A CB 1.730 20.257 19.000 -0.789 0.000 1.248 254 A HN 0.652 nan 8.150 nan 0.000 0.424 255 V N -1.151 118.695 119.914 -0.114 0.000 3.226 255 V HA 0.992 5.112 4.120 -0.000 0.000 0.304 255 V C 0.357 176.427 176.094 -0.041 0.000 1.336 255 V CA 0.011 62.258 62.300 -0.088 0.000 1.066 255 V CB 1.123 32.875 31.823 -0.117 0.000 1.087 255 V HN 2.503 nan 8.190 nan 0.000 0.451 256 G N -0.211 108.534 108.800 -0.092 0.000 2.551 256 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.186 256 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.186 256 G C 0.695 175.575 174.900 -0.034 0.000 1.002 256 G CA 0.599 45.700 45.100 0.003 0.000 0.723 256 G HN 1.105 nan 8.290 nan 0.000 0.481 257 E N 0.314 120.464 120.200 -0.084 0.000 2.153 257 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 257 E C 1.751 178.245 176.600 -0.175 0.000 0.988 257 E CA 0.739 57.052 56.400 -0.144 0.000 0.811 257 E CB -0.011 29.555 29.700 -0.224 0.000 0.746 257 E HN 0.467 nan 8.360 nan 0.000 0.466 258 R N 0.054 120.380 120.500 -0.290 0.000 2.767 258 R HA 0.248 4.588 4.340 -0.000 0.000 0.377 258 R C -1.195 174.514 176.300 -0.984 0.000 1.151 258 R CA -0.282 55.561 56.100 -0.428 0.000 1.046 258 R CB 1.482 31.683 30.300 -0.166 0.000 1.404 258 R HN -0.095 nan 8.270 nan 0.000 0.580 259 V N 1.043 120.243 119.914 -1.190 0.000 2.604 259 V HA 0.440 4.559 4.120 -0.000 0.000 0.305 259 V C -0.972 174.381 176.094 -1.235 0.000 1.043 259 V CA -0.956 60.582 62.300 -1.271 0.000 0.888 259 V CB 1.605 32.566 31.823 -1.437 0.000 0.995 259 V HN 0.164 nan 8.190 nan 0.000 0.429 260 Y N 1.997 122.163 120.300 -0.224 0.000 2.376 260 Y HA 0.667 5.217 4.550 -0.000 0.000 0.340 260 Y C 0.626 176.411 175.900 -0.191 0.000 0.965 260 Y CA -0.236 57.801 58.100 -0.104 0.000 1.078 260 Y CB 1.963 40.384 38.460 -0.065 0.000 1.193 260 Y HN 0.984 nan 8.280 nan 0.000 0.452 261 T N -1.042 113.493 114.554 -0.031 0.000 0.541 261 T HA -0.248 4.102 4.350 -0.000 0.000 0.774 261 T C 0.693 175.313 174.700 -0.133 0.000 0.992 261 T CA 0.515 62.487 62.100 -0.214 0.000 4.077 261 T CB -0.269 68.294 68.868 -0.507 0.000 2.303 261 T HN 0.899 nan 8.240 nan 0.000 0.398 262 R N 0.446 120.707 120.500 -0.398 0.000 2.091 262 R HA 0.022 4.361 4.340 -0.000 0.000 0.238 262 R C 2.447 178.701 176.300 -0.078 0.000 1.136 262 R CA 2.503 58.452 56.100 -0.252 0.000 0.959 262 R CB -0.565 29.490 30.300 -0.408 0.000 0.856 262 R HN 0.718 nan 8.270 nan 0.000 0.437 263 F N -0.720 119.246 119.950 0.027 0.000 2.216 263 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 263 F C 2.534 178.321 175.800 -0.022 0.000 1.085 263 F CA 0.540 58.556 58.000 0.025 0.000 1.326 263 F CB -0.456 38.585 39.000 0.069 0.000 1.027 263 F HN 0.191 nan 8.300 nan 0.000 0.497 264 G N -0.271 108.567 108.800 0.063 0.000 2.396 264 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.214 264 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.214 264 G C 1.335 176.021 174.900 -0.358 0.000 1.166 264 G CA 0.232 45.251 45.100 -0.134 0.000 0.793 264 G HN 0.247 nan 8.290 nan 0.000 0.533 265 F N 0.854 120.589 119.950 -0.358 0.000 2.365 265 F HA 0.119 4.646 4.527 -0.000 0.000 0.300 265 F C 2.622 177.891 175.800 -0.886 0.000 1.090 265 F CA 0.927 58.490 58.000 -0.729 0.000 1.408 265 F CB 0.011 38.485 39.000 -0.877 0.000 1.060 265 F HN 0.032 nan 8.300 nan 0.000 0.534 266 R N 1.244 121.614 120.500 -0.217 0.000 2.103 266 R HA -0.203 4.137 4.340 -0.000 0.000 0.242 266 R C 1.985 178.206 176.300 -0.132 0.000 1.142 266 R CA 1.764 57.842 56.100 -0.037 0.000 0.960 266 R CB -0.224 30.141 30.300 0.109 0.000 0.858 266 R HN 0.196 nan 8.270 nan 0.000 0.439 267 K N -0.015 120.288 120.400 -0.161 0.000 2.147 267 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 267 K C 2.039 178.523 176.600 -0.194 0.000 1.049 267 K CA 1.095 57.299 56.287 -0.138 0.000 0.936 267 K CB -0.013 32.415 32.500 -0.120 0.000 0.722 267 K HN 0.246 nan 8.250 nan 0.000 0.446 268 I N 0.391 120.754 120.570 -0.344 0.000 2.277 268 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 268 I C 2.164 178.160 176.117 -0.201 0.000 1.094 268 I CA 1.362 62.476 61.300 -0.310 0.000 1.393 268 I CB -1.163 36.580 38.000 -0.428 0.000 1.078 268 I HN 0.078 nan 8.210 nan 0.000 0.417 269 F N 1.719 121.506 119.950 -0.272 0.000 2.091 269 F HA -0.237 4.289 4.527 -0.000 0.000 0.299 269 F C 2.529 178.021 175.800 -0.513 0.000 1.103 269 F CA 1.010 58.630 58.000 -0.634 0.000 1.228 269 F CB -0.474 37.812 39.000 -1.191 0.000 0.984 269 F HN 0.177 nan 8.300 nan 0.000 0.477 270 E N 0.502 120.640 120.200 -0.103 0.000 2.333 270 E HA -0.173 4.177 4.350 -0.000 0.000 0.198 270 E C 2.120 178.751 176.600 0.051 0.000 1.007 270 E CA 0.699 57.122 56.400 0.040 0.000 0.845 270 E CB -0.224 29.508 29.700 0.053 0.000 0.766 270 E HN 0.540 nan 8.360 nan 0.000 0.507 271 L N -0.160 121.069 121.223 0.009 0.000 2.179 271 L HA -0.089 4.250 4.340 -0.000 0.000 0.208 271 L C 1.011 177.909 176.870 0.047 0.000 1.096 271 L CA 0.338 55.188 54.840 0.017 0.000 0.779 271 L CB -0.107 41.943 42.059 -0.014 0.000 0.922 271 L HN 0.105 nan 8.230 nan 0.000 0.443 272 Q N -0.913 118.930 119.800 0.072 0.000 2.463 272 Q HA -0.263 4.077 4.340 -0.000 0.000 0.299 272 Q C 0.583 176.619 176.000 0.061 0.000 1.353 272 Q CA 0.588 56.453 55.803 0.104 0.000 0.828 272 Q CB -0.834 27.979 28.738 0.124 0.000 1.157 272 Q HN 0.516 nan 8.270 nan 0.000 0.436 273 A N -1.624 121.219 122.820 0.038 0.000 2.229 273 A HA 0.386 4.706 4.320 -0.000 0.000 0.211 273 A C 0.626 178.217 177.584 0.012 0.000 1.193 273 A CA 0.634 52.683 52.037 0.019 0.000 0.879 273 A CB 0.355 19.356 19.000 0.002 0.000 0.911 273 A HN 0.962 nan 8.150 nan 0.000 0.492 274 C N -4.391 114.919 119.300 0.018 0.000 3.044 274 C HA 0.852 5.312 4.460 -0.000 0.000 0.315 274 C C 1.230 176.228 174.990 0.013 0.000 1.320 274 C CA 0.047 59.066 59.018 0.000 0.000 1.582 274 C CB 1.167 28.891 27.740 -0.027 0.000 2.039 274 C HN 0.372 nan 8.230 nan 0.000 0.466 275 G N -0.349 108.440 108.800 -0.018 0.000 3.062 275 G HA2 0.439 4.399 3.960 -0.000 0.000 0.228 275 G HA3 0.439 4.399 3.960 -0.000 0.000 0.228 275 G C 0.009 174.880 174.900 -0.047 0.000 1.094 275 G CA 0.063 45.155 45.100 -0.014 0.000 0.782 275 G HN 0.737 nan 8.290 nan 0.000 0.541 276 I N 1.712 122.221 120.570 -0.103 0.000 2.533 276 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 276 I C -0.674 175.376 176.117 -0.113 0.000 1.056 276 I CA -1.198 60.005 61.300 -0.161 0.000 1.057 276 I CB 2.343 40.112 38.000 -0.385 0.000 1.240 276 I HN 0.030 nan 8.210 nan 0.000 0.423 277 I N 2.279 122.828 120.570 -0.035 0.000 2.562 277 I HA 0.556 4.726 4.170 -0.000 0.000 0.301 277 I C -0.688 175.437 176.117 0.013 0.000 1.003 277 I CA -0.525 60.805 61.300 0.050 0.000 1.127 277 I CB 1.757 39.838 38.000 0.134 0.000 1.304 277 I HN 0.611 nan 8.210 nan 0.000 0.446 278 Q N 4.559 124.407 119.800 0.080 0.000 2.831 278 Q HA 0.369 4.709 4.340 -0.000 0.000 0.366 278 Q C -2.529 173.576 176.000 0.176 0.000 0.899 278 Q CA -1.771 54.096 55.803 0.106 0.000 0.987 278 Q CB 0.892 29.695 28.738 0.109 0.000 1.382 278 Q HN 0.518 nan 8.270 nan 0.000 0.403 279 P HA -0.016 nan 4.420 nan 0.000 0.272 279 P C -0.639 176.777 177.300 0.194 0.000 1.230 279 P CA 0.067 63.261 63.100 0.157 0.000 0.788 279 P CB 1.108 32.729 31.700 -0.131 0.000 0.949 280 D N 1.605 122.150 120.400 0.242 0.000 2.425 280 D HA 0.141 4.781 4.640 -0.000 0.000 0.240 280 D C 1.403 177.842 176.300 0.232 0.000 1.080 280 D CA -0.699 53.475 54.000 0.290 0.000 0.836 280 D CB 0.871 41.919 40.800 0.414 0.000 1.125 280 D HN 0.312 nan 8.370 nan 0.000 0.525 281 I N 1.030 121.713 120.570 0.188 0.000 2.657 281 I HA 0.035 4.205 4.170 -0.000 0.000 0.261 281 I C 1.434 177.676 176.117 0.208 0.000 1.212 281 I CA 0.937 62.341 61.300 0.172 0.000 1.453 281 I CB -0.050 38.037 38.000 0.145 0.000 1.092 281 I HN 0.321 nan 8.210 nan 0.000 0.452 282 G N 0.757 109.691 108.800 0.222 0.000 2.880 282 G HA2 0.023 3.983 3.960 -0.000 0.000 0.209 282 G HA3 0.023 3.983 3.960 -0.000 0.000 0.209 282 G C 1.320 176.360 174.900 0.233 0.000 1.157 282 G CA 0.904 46.134 45.100 0.217 0.000 0.779 282 G HN 0.570 nan 8.290 nan 0.000 0.539 283 T N -4.330 110.394 114.554 0.283 0.000 3.098 283 T HA 0.385 4.735 4.350 -0.000 0.000 0.256 283 T C 2.305 177.269 174.700 0.441 0.000 0.921 283 T CA 1.098 63.400 62.100 0.337 0.000 0.916 283 T CB -0.060 69.053 68.868 0.409 0.000 1.246 283 T HN 0.160 nan 8.240 nan 0.000 0.511 284 A N 1.418 124.459 122.820 0.369 0.000 2.125 284 A HA 0.532 4.852 4.320 -0.000 0.000 0.219 284 A C 2.076 179.791 177.584 0.218 0.000 1.156 284 A CA 1.483 53.699 52.037 0.298 0.000 0.671 284 A CB -1.075 18.046 19.000 0.203 0.000 0.794 284 A HN 1.568 nan 8.150 nan 0.000 0.459 285 G N -4.003 104.989 108.800 0.320 0.000 2.425 285 G HA2 0.449 4.409 3.960 -0.000 0.000 0.177 285 G HA3 0.449 4.409 3.960 -0.000 0.000 0.177 285 G C 0.953 176.170 174.900 0.528 0.000 0.999 285 G CA 0.394 45.796 45.100 0.503 0.000 0.723 285 G HN 2.240 nan 8.290 nan 0.000 0.491 286 G N -0.981 108.011 108.800 0.320 0.000 2.343 286 G HA2 0.346 4.305 3.960 -0.000 0.000 0.465 286 G HA3 0.346 4.305 3.960 -0.000 0.000 0.465 286 G C -0.220 174.773 174.900 0.156 0.000 1.282 286 G CA -0.364 44.909 45.100 0.288 0.000 0.996 286 G HN 0.898 nan 8.290 nan 0.000 0.521 290 T N 1.296 115.747 114.554 -0.171 0.000 2.821 290 T HA -0.083 4.266 4.350 -0.000 0.000 0.267 290 T C 1.648 176.226 174.700 -0.203 0.000 1.046 290 T CA 1.577 63.582 62.100 -0.160 0.000 1.139 290 T CB -0.153 68.677 68.868 -0.064 0.000 0.871 290 T HN 0.129 nan 8.240 nan 0.000 0.454 291 K N 1.219 121.465 120.400 -0.257 0.000 2.057 291 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 291 K C 2.154 178.591 176.600 -0.272 0.000 1.049 291 K CA 1.257 57.367 56.287 -0.296 0.000 0.931 291 K CB -0.014 32.160 32.500 -0.543 0.000 0.714 291 K HN 0.220 nan 8.250 nan 0.000 0.440 292 K N 0.533 120.755 120.400 -0.296 0.000 2.026 292 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 292 K C 2.141 178.631 176.600 -0.183 0.000 1.048 292 K CA 1.671 57.812 56.287 -0.244 0.000 0.929 292 K CB -0.172 32.160 32.500 -0.280 0.000 0.713 292 K HN 0.168 nan 8.250 nan 0.000 0.439 293 I N 0.906 121.354 120.570 -0.204 0.000 2.163 293 I HA -0.385 3.784 4.170 -0.000 0.000 0.243 293 I C 2.388 178.431 176.117 -0.123 0.000 1.085 293 I CA 1.086 62.283 61.300 -0.172 0.000 1.347 293 I CB -0.410 37.353 38.000 -0.396 0.000 1.044 293 I HN 0.282 nan 8.210 nan 0.000 0.408 294 C N 0.805 120.007 119.300 -0.163 0.000 2.425 294 C HA 0.022 4.482 4.460 -0.000 0.000 0.277 294 C C 1.975 176.893 174.990 -0.120 0.000 1.280 294 C CA 0.073 59.018 59.018 -0.122 0.000 1.744 294 C CB -1.454 26.229 27.740 -0.095 0.000 1.989 294 C HN 0.506 nan 8.230 nan 0.000 0.491 298 E N 0.675 120.771 120.200 -0.175 0.000 2.150 298 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 298 E C 1.919 178.433 176.600 -0.144 0.000 0.985 298 E CA 0.985 57.313 56.400 -0.120 0.000 0.814 298 E CB -0.123 29.517 29.700 -0.101 0.000 0.752 298 E HN 0.657 nan 8.360 nan 0.000 0.466 299 A N 0.066 122.769 122.820 -0.195 0.000 2.239 299 A HA -0.097 4.222 4.320 -0.000 0.000 0.209 299 A C 0.704 177.968 177.584 -0.533 0.000 1.171 299 A CA 0.747 52.594 52.037 -0.317 0.000 0.768 299 A CB -0.217 18.583 19.000 -0.333 0.000 0.790 299 A HN 0.251 nan 8.150 nan 0.000 0.478 300 Y N -1.286 118.870 120.300 -0.239 0.000 2.706 300 Y HA 0.278 4.828 4.550 -0.000 0.000 0.255 300 Y C 0.527 176.365 175.900 -0.104 0.000 1.163 300 Y CA -0.667 57.332 58.100 -0.168 0.000 1.174 300 Y CB -0.167 38.167 38.460 -0.210 0.000 1.200 300 Y HN 0.392 nan 8.280 nan 0.000 0.544 304 V N 0.237 120.115 119.914 -0.058 0.000 2.495 304 V HA 0.787 4.907 4.120 -0.000 0.000 0.298 304 V C -0.390 175.651 176.094 -0.088 0.000 1.031 304 V CA -0.467 61.806 62.300 -0.045 0.000 0.871 304 V CB 1.581 33.410 31.823 0.011 0.000 0.988 304 V HN 0.914 nan 8.190 nan 0.000 0.432 305 A N 6.112 128.903 122.820 -0.048 0.000 2.842 305 A HA 0.748 5.068 4.320 -0.000 0.000 0.339 305 A C -2.739 174.905 177.584 0.100 0.000 1.177 305 A CA -1.605 50.432 52.037 -0.000 0.000 0.797 305 A CB 0.391 19.416 19.000 0.041 0.000 1.094 305 A HN 0.627 nan 8.150 nan 0.000 0.474 306 P HA -0.078 nan 4.420 nan 0.000 0.261 306 P C -0.195 177.191 177.300 0.143 0.000 1.173 306 P CA 0.618 63.809 63.100 0.152 0.000 0.760 306 P CB 0.167 31.977 31.700 0.182 0.000 0.783 307 H N 3.769 122.908 119.070 0.115 0.000 2.548 307 H HA 0.416 4.972 4.556 -0.000 0.000 0.331 307 H C -0.868 174.543 175.328 0.139 0.000 1.093 307 H CA -0.462 55.671 56.048 0.142 0.000 1.367 307 H CB 0.706 30.583 29.762 0.191 0.000 1.455 307 H HN 0.182 nan 8.280 nan 0.000 0.519 308 V N 2.786 122.359 119.914 -0.568 0.000 2.655 308 V HA 0.348 4.468 4.120 -0.000 0.000 0.301 308 V C -0.724 175.234 176.094 -0.227 0.000 1.082 308 V CA -0.910 61.212 62.300 -0.297 0.000 0.899 308 V CB 0.735 32.475 31.823 -0.139 0.000 1.014 308 V HN 0.840 nan 8.190 nan 0.000 0.429 309 C N 4.277 123.537 119.300 -0.066 0.000 3.354 309 C HA 0.898 5.358 4.460 -0.000 0.000 0.314 309 C C 0.551 175.619 174.990 0.131 0.000 1.019 309 C CA 0.830 59.840 59.018 -0.014 0.000 1.293 309 C CB -0.272 27.377 27.740 -0.152 0.000 1.747 309 C HN 1.740 nan 8.230 nan 0.000 0.580 310 G N 2.178 111.049 108.800 0.119 0.000 2.827 310 G HA2 0.662 4.622 3.960 -0.000 0.000 0.202 310 G HA3 0.662 4.622 3.960 -0.000 0.000 0.202 310 G C -0.297 174.692 174.900 0.147 0.000 1.185 310 G CA 0.439 45.623 45.100 0.140 0.000 0.920 310 G HN 1.284 nan 8.290 nan 0.000 0.550 311 S N -0.469 115.304 115.700 0.121 0.000 2.655 311 S HA 0.414 4.884 4.470 -0.000 0.000 0.265 311 S C 1.425 176.111 174.600 0.144 0.000 1.240 311 S CA 0.845 59.120 58.200 0.125 0.000 0.986 311 S CB 1.371 64.603 63.200 0.053 0.000 0.985 311 S HN 0.636 nan 8.310 nan 0.000 0.562 312 S N 0.397 116.197 115.700 0.166 0.000 2.440 312 S HA -0.099 4.371 4.470 -0.000 0.000 0.238 312 S C 1.587 176.249 174.600 0.104 0.000 1.010 312 S CA 1.132 59.427 58.200 0.158 0.000 0.972 312 S CB -0.824 62.483 63.200 0.177 0.000 0.774 312 S HN 0.651 nan 8.310 nan 0.000 0.501 313 L N 1.791 123.066 121.223 0.086 0.000 1.976 313 L HA 0.047 4.387 4.340 -0.000 0.000 0.209 313 L C 1.960 178.878 176.870 0.081 0.000 1.071 313 L CA 1.637 56.521 54.840 0.073 0.000 0.746 313 L CB -0.602 41.495 42.059 0.064 0.000 0.890 313 L HN 0.313 nan 8.230 nan 0.000 0.432 314 I N -0.835 119.792 120.570 0.094 0.000 2.454 314 I HA -0.274 3.896 4.170 -0.000 0.000 0.254 314 I C 2.414 178.587 176.117 0.094 0.000 1.156 314 I CA 1.439 62.800 61.300 0.103 0.000 1.433 314 I CB -0.027 38.044 38.000 0.119 0.000 1.082 314 I HN 0.541 nan 8.210 nan 0.000 0.432 315 E N -0.294 119.958 120.200 0.088 0.000 2.152 315 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 315 E C 1.870 178.488 176.600 0.030 0.000 0.983 315 E CA 1.535 57.982 56.400 0.078 0.000 0.818 315 E CB 0.116 29.869 29.700 0.088 0.000 0.758 315 E HN 0.433 nan 8.360 nan 0.000 0.467 316 T N 0.300 114.869 114.554 0.024 0.000 2.812 316 T HA -0.037 4.313 4.350 -0.000 0.000 0.264 316 T C 1.866 176.574 174.700 0.013 0.000 1.042 316 T CA 1.042 63.140 62.100 -0.003 0.000 1.140 316 T CB -0.200 68.682 68.868 0.023 0.000 0.870 316 T HN 0.287 nan 8.240 nan 0.000 0.445 317 A N 1.348 124.194 122.820 0.043 0.000 1.972 317 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 317 A C 2.498 180.115 177.584 0.055 0.000 1.169 317 A CA 1.881 53.949 52.037 0.052 0.000 0.635 317 A CB -1.169 17.880 19.000 0.081 0.000 0.810 317 A HN 0.457 nan 8.150 nan 0.000 0.446 318 T N 0.449 115.045 114.554 0.069 0.000 2.821 318 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 318 T C 1.736 176.462 174.700 0.044 0.000 1.046 318 T CA 1.284 63.438 62.100 0.090 0.000 1.139 318 T CB -0.352 68.601 68.868 0.143 0.000 0.871 318 T HN 0.399 nan 8.240 nan 0.000 0.454 319 L N 0.881 122.089 121.223 -0.025 0.000 2.083 319 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 319 L C 3.003 179.833 176.870 -0.068 0.000 1.083 319 L CA 1.013 55.777 54.840 -0.126 0.000 0.752 319 L CB -0.568 41.388 42.059 -0.172 0.000 0.899 319 L HN 0.211 nan 8.230 nan 0.000 0.433 320 Q N -0.176 119.633 119.800 0.015 0.000 2.045 320 Q HA -0.259 4.081 4.340 -0.000 0.000 0.206 320 Q C 2.313 178.346 176.000 0.055 0.000 0.991 320 Q CA 1.770 57.626 55.803 0.089 0.000 0.851 320 Q CB -0.657 28.087 28.738 0.009 0.000 0.911 320 Q HN 0.418 nan 8.270 nan 0.000 0.418 321 L N 1.432 122.683 121.223 0.046 0.000 1.989 321 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 321 L C 2.028 178.888 176.870 -0.016 0.000 1.071 321 L CA 1.840 56.721 54.840 0.069 0.000 0.749 321 L CB -0.374 41.731 42.059 0.076 0.000 0.890 321 L HN 0.213 nan 8.230 nan 0.000 0.431 322 E N -0.471 119.669 120.200 -0.101 0.000 2.331 322 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 322 E C 1.883 178.200 176.600 -0.471 0.000 1.008 322 E CA 0.817 56.999 56.400 -0.362 0.000 0.843 322 E CB -0.272 29.100 29.700 -0.547 0.000 0.761 322 E HN 0.674 nan 8.360 nan 0.000 0.507 323 A N 0.930 123.560 122.820 -0.317 0.000 2.178 323 A HA -0.036 4.284 4.320 -0.000 0.000 0.211 323 A C 1.822 179.248 177.584 -0.263 0.000 1.157 323 A CA 0.475 52.290 52.037 -0.371 0.000 0.780 323 A CB -0.057 18.610 19.000 -0.556 0.000 0.828 323 A HN 0.162 nan 8.150 nan 0.000 0.476 324 N N 0.146 118.770 118.700 -0.126 0.000 2.516 324 N HA 0.071 4.810 4.740 -0.000 0.000 0.197 324 N C 0.778 176.281 175.510 -0.013 0.000 1.064 324 N CA 0.129 53.163 53.050 -0.027 0.000 0.866 324 N CB 0.188 38.742 38.487 0.110 0.000 1.255 324 N HN 0.540 nan 8.380 nan 0.000 0.447 325 I N 1.562 122.129 120.570 -0.005 0.000 2.710 325 I HA 0.045 4.215 4.170 -0.000 0.000 0.286 325 I C 1.566 177.705 176.117 0.037 0.000 1.181 325 I CA -0.012 61.296 61.300 0.014 0.000 1.430 325 I CB 1.085 39.111 38.000 0.043 0.000 1.367 325 I HN -0.036 nan 8.210 nan 0.000 0.577 326 T N 0.939 115.505 114.554 0.020 0.000 2.942 326 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 326 T C 1.057 175.789 174.700 0.054 0.000 1.062 326 T CA 0.878 62.994 62.100 0.027 0.000 1.139 326 T CB -0.522 68.346 68.868 -0.001 0.000 0.883 326 T HN 0.848 nan 8.240 nan 0.000 0.468 327 N N 1.005 119.736 118.700 0.052 0.000 2.558 327 N HA 0.168 4.908 4.740 -0.000 0.000 0.281 327 N C -0.320 175.242 175.510 0.087 0.000 1.219 327 N CA -0.824 52.254 53.050 0.047 0.000 0.942 327 N CB -0.737 37.749 38.487 -0.000 0.000 1.241 327 N HN 0.446 nan 8.380 nan 0.000 0.511 331 H N 4.042 123.214 119.070 0.170 0.000 2.463 331 H HA 0.472 5.028 4.556 -0.000 0.000 0.332 331 H C -0.994 174.150 175.328 -0.308 0.000 1.127 331 H CA -0.139 55.977 56.048 0.113 0.000 1.238 331 H CB 1.451 31.337 29.762 0.206 0.000 1.478 331 H HN 0.527 nan 8.280 nan 0.000 0.499 332 E N 3.346 122.947 120.200 -0.999 0.000 2.156 332 E HA 0.223 4.573 4.350 -0.000 0.000 0.279 332 E C -1.391 174.739 176.600 -0.783 0.000 0.965 332 E CA -0.786 54.899 56.400 -1.192 0.000 0.789 332 E CB 0.595 29.829 29.700 -0.776 0.000 1.098 332 E HN 0.699 nan 8.360 nan 0.000 0.397 333 H N 2.981 121.645 119.070 -0.676 0.000 2.851 333 H HA 0.312 4.868 4.556 -0.000 0.000 0.372 333 H C -1.930 173.088 175.328 -0.517 0.000 1.158 333 H CA -0.637 55.218 56.048 -0.322 0.000 1.159 333 H CB 0.930 30.809 29.762 0.197 0.000 1.757 333 H HN 0.497 nan 8.280 nan 0.000 0.546 334 Y N 5.639 125.324 120.300 -1.026 0.000 2.842 334 Y HA 0.235 4.785 4.550 -0.000 0.000 0.334 334 Y C -1.693 173.621 175.900 -0.977 0.000 1.019 334 Y CA -2.110 55.357 58.100 -1.055 0.000 1.258 334 Y CB 1.329 38.753 38.460 -1.728 0.000 1.106 334 Y HN 0.609 nan 8.280 nan 0.000 0.545 335 P HA -0.151 nan 4.420 nan 0.000 0.222 335 P C 0.957 178.259 177.300 0.003 0.000 1.147 335 P CA 1.207 64.264 63.100 -0.071 0.000 0.790 335 P CB 0.450 32.269 31.700 0.198 0.000 0.780 336 A N -1.805 121.026 122.820 0.019 0.000 2.337 336 A HA 0.171 4.491 4.320 -0.000 0.000 0.227 336 A C 1.268 179.038 177.584 0.310 0.000 1.259 336 A CA -0.061 52.058 52.037 0.136 0.000 0.870 336 A CB -1.048 18.024 19.000 0.120 0.000 0.927 336 A HN -0.016 nan 8.150 nan 0.000 0.497 337 F N -0.124 119.750 119.950 -0.126 0.000 2.619 337 F HA 0.181 4.708 4.527 -0.000 0.000 0.293 337 F C 1.541 177.120 175.800 -0.368 0.000 1.119 337 F CA 0.550 58.454 58.000 -0.159 0.000 1.445 337 F CB -0.072 38.857 39.000 -0.118 0.000 1.119 337 F HN 0.044 nan 8.300 nan 0.000 0.573 338 K N 0.199 120.418 120.400 -0.301 0.000 2.486 338 K HA 0.119 4.439 4.320 -0.000 0.000 0.194 338 K C 1.828 178.196 176.600 -0.388 0.000 1.033 338 K CA 0.730 56.545 56.287 -0.787 0.000 1.004 338 K CB -0.388 31.864 32.500 -0.413 0.000 0.798 338 K HN 0.125 nan 8.250 nan 0.000 0.495 339 A N 0.253 122.984 122.820 -0.148 0.000 2.140 339 A HA 0.083 4.403 4.320 -0.000 0.000 0.209 339 A C -0.107 177.474 177.584 -0.005 0.000 1.181 339 A CA -0.176 51.836 52.037 -0.042 0.000 0.824 339 A CB 0.007 19.004 19.000 -0.006 0.000 0.879 339 A HN 0.163 nan 8.150 nan 0.000 0.480 340 D N 2.065 122.457 120.400 -0.013 0.000 2.515 340 D HA 0.117 4.757 4.640 -0.000 0.000 0.232 340 D C -0.436 175.896 176.300 0.055 0.000 1.157 340 D CA 0.704 54.703 54.000 -0.002 0.000 0.871 340 D CB 0.400 41.170 40.800 -0.049 0.000 1.200 340 D HN 0.215 nan 8.370 nan 0.000 0.466 341 D N 0.687 121.105 120.400 0.029 0.000 2.383 341 D HA 0.339 4.979 4.640 -0.000 0.000 0.252 341 D C 1.405 177.739 176.300 0.057 0.000 1.166 341 D CA 0.568 54.595 54.000 0.045 0.000 0.879 341 D CB 1.292 42.107 40.800 0.024 0.000 1.164 341 D HN 0.608 nan 8.370 nan 0.000 0.462 342 G N 2.618 111.467 108.800 0.082 0.000 2.176 342 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.232 342 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.232 342 G C 0.317 175.263 174.900 0.077 0.000 0.986 342 G CA -0.051 45.093 45.100 0.073 0.000 0.643 342 G HN 0.559 nan 8.290 nan 0.000 0.522 343 Y N 1.136 121.440 120.300 0.006 0.000 2.811 343 Y HA 0.346 4.896 4.550 -0.000 0.000 0.334 343 Y C 0.296 176.214 175.900 0.030 0.000 1.247 343 Y CA 0.648 58.753 58.100 0.008 0.000 1.526 343 Y CB 0.734 39.211 38.460 0.028 0.000 1.284 343 Y HN 0.240 nan 8.280 nan 0.000 0.586 344 V N 7.080 126.475 119.914 -0.865 0.000 2.349 344 V HA 0.168 4.288 4.120 -0.000 0.000 0.284 344 V C -0.551 175.062 176.094 -0.802 0.000 1.014 344 V CA -0.989 60.959 62.300 -0.587 0.000 0.826 344 V CB 1.140 32.788 31.823 -0.292 0.000 1.009 344 V HN 0.710 nan 8.190 nan 0.000 0.431 345 E N 3.696 123.596 120.200 -0.500 0.000 2.324 345 E HA 0.181 4.531 4.350 -0.000 0.000 0.271 345 E C 0.652 177.194 176.600 -0.095 0.000 1.028 345 E CA 0.070 56.361 56.400 -0.181 0.000 0.890 345 E CB 1.568 31.328 29.700 0.101 0.000 1.004 345 E HN 0.543 nan 8.360 nan 0.000 0.431 346 V N 2.903 122.782 119.914 -0.057 0.000 3.644 346 V HA 0.341 4.461 4.120 -0.000 0.000 0.267 346 V C 0.537 176.629 176.094 -0.004 0.000 1.277 346 V CA 0.037 62.312 62.300 -0.043 0.000 1.096 346 V CB -0.332 31.460 31.823 -0.052 0.000 0.828 346 V HN 0.443 nan 8.190 nan 0.000 0.446 347 L N 0.934 122.178 121.223 0.035 0.000 2.329 347 L HA 0.547 4.887 4.340 -0.000 0.000 0.279 347 L C 1.213 178.115 176.870 0.052 0.000 1.014 347 L CA -0.406 54.461 54.840 0.045 0.000 0.814 347 L CB 1.950 44.048 42.059 0.064 0.000 1.257 347 L HN 0.101 nan 8.230 nan 0.000 0.424 348 E N 2.264 122.487 120.200 0.040 0.000 2.347 348 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 348 E C -0.327 176.303 176.600 0.049 0.000 1.008 348 E CA 0.902 57.326 56.400 0.040 0.000 0.852 348 E CB 0.116 29.834 29.700 0.029 0.000 0.783 348 E HN 0.702 nan 8.360 nan 0.000 0.505 349 N N 0.133 118.866 118.700 0.055 0.000 2.732 349 N HA 0.229 4.969 4.740 -0.000 0.000 0.235 349 N C -2.830 172.724 175.510 0.074 0.000 1.466 349 N CA -1.229 51.857 53.050 0.060 0.000 0.751 349 N CB 0.896 39.410 38.487 0.046 0.000 1.317 349 N HN -0.081 nan 8.380 nan 0.000 0.525 350 P HA 0.275 nan 4.420 nan 0.000 0.272 350 P C -2.399 174.977 177.300 0.127 0.000 1.240 350 P CA -0.789 62.383 63.100 0.120 0.000 0.791 350 P CB 0.178 31.976 31.700 0.164 0.000 0.978 351 P HA 0.073 nan 4.420 nan 0.000 0.271 351 P C -0.439 177.055 177.300 0.324 0.000 1.226 351 P CA 0.076 63.292 63.100 0.193 0.000 0.765 351 P CB 0.403 32.117 31.700 0.023 0.000 0.835 352 S N 3.054 118.904 115.700 0.250 0.000 2.473 352 S HA 0.537 5.007 4.470 -0.000 0.000 0.307 352 S C 0.155 174.643 174.600 -0.186 0.000 1.094 352 S CA -0.839 57.417 58.200 0.093 0.000 1.070 352 S CB 0.423 63.646 63.200 0.037 0.000 1.019 352 S HN 0.177 nan 8.310 nan 0.000 0.480 353 I N 2.280 122.565 120.570 -0.474 0.000 2.779 353 I HA 0.441 4.611 4.170 -0.000 0.000 0.285 353 I C 0.846 176.689 176.117 -0.457 0.000 1.134 353 I CA 0.180 60.945 61.300 -0.891 0.000 1.398 353 I CB 0.945 38.472 38.000 -0.788 0.000 1.404 353 I HN 0.765 nan 8.210 nan 0.000 0.587 354 S N 2.798 118.247 115.700 -0.419 0.000 2.312 354 S HA 0.397 4.867 4.470 -0.000 0.000 0.173 354 S C -0.411 174.076 174.600 -0.189 0.000 1.488 354 S CA -0.395 57.664 58.200 -0.235 0.000 1.239 354 S CB -0.410 62.692 63.200 -0.164 0.000 1.215 354 S HN 0.683 nan 8.310 nan 0.000 0.438 355 S N 2.439 117.998 115.700 -0.235 0.000 3.791 355 S HA -0.128 4.342 4.470 -0.000 0.000 0.393 355 S C 1.015 175.517 174.600 -0.163 0.000 0.936 355 S CA 0.927 59.013 58.200 -0.189 0.000 1.234 355 S CB -1.714 61.434 63.200 -0.086 0.000 0.891 355 S HN 2.242 nan 8.310 nan 0.000 0.519 356 G N -0.097 108.412 108.800 -0.485 0.000 2.283 356 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.280 356 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.280 356 G C -0.328 174.335 174.900 -0.394 0.000 1.029 356 G CA 0.806 45.607 45.100 -0.498 0.000 0.840 356 G HN 0.831 nan 8.290 nan 0.000 0.505 357 Y N -1.748 118.320 120.300 -0.386 0.000 2.470 357 Y HA 0.647 5.196 4.550 -0.000 0.000 0.341 357 Y C -0.246 175.400 175.900 -0.424 0.000 1.021 357 Y CA -1.181 56.766 58.100 -0.256 0.000 1.025 357 Y CB 1.613 39.977 38.460 -0.160 0.000 1.266 357 Y HN 0.054 nan 8.280 nan 0.000 0.448 358 F N 2.684 122.632 119.950 -0.004 0.000 2.467 358 F HA 0.424 4.951 4.527 -0.000 0.000 0.336 358 F C 0.310 176.067 175.800 -0.071 0.000 1.123 358 F CA -0.946 56.996 58.000 -0.096 0.000 0.964 358 F CB 1.282 40.138 39.000 -0.241 0.000 1.136 358 F HN 0.400 nan 8.300 nan 0.000 0.447 362 N N -0.329 118.423 118.700 0.086 0.000 2.299 362 N HA 0.151 4.891 4.740 -0.000 0.000 0.187 362 N C 1.048 176.557 175.510 -0.002 0.000 1.099 362 N CA -0.040 53.053 53.050 0.072 0.000 0.867 362 N CB 0.646 39.170 38.487 0.062 0.000 0.974 362 N HN 0.569 nan 8.380 nan 0.000 0.477 363 G N 2.418 111.212 108.800 -0.011 0.000 2.636 363 G HA2 0.157 4.117 3.960 -0.000 0.000 0.246 363 G HA3 0.157 4.117 3.960 -0.000 0.000 0.246 363 G C -2.298 172.556 174.900 -0.077 0.000 1.216 363 G CA -0.709 44.372 45.100 -0.031 0.000 0.854 363 G HN -0.050 nan 8.290 nan 0.000 0.572 364 P HA 0.273 nan 4.420 nan 0.000 0.272 364 P C 1.028 178.281 177.300 -0.078 0.000 1.230 364 P CA 0.974 64.023 63.100 -0.085 0.000 0.788 364 P CB 0.828 32.498 31.700 -0.050 0.000 0.949 365 G N 1.199 109.945 108.800 -0.089 0.000 2.583 365 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.292 365 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.292 365 G C 0.832 175.684 174.900 -0.079 0.000 1.203 365 G CA 0.373 45.442 45.100 -0.052 0.000 0.987 365 G HN 0.488 nan 8.290 nan 0.000 0.554 366 L N 2.336 123.545 121.223 -0.024 0.000 2.552 366 L HA 0.348 4.688 4.340 -0.000 0.000 0.227 366 L C 2.241 179.100 176.870 -0.018 0.000 1.146 366 L CA 0.859 55.689 54.840 -0.018 0.000 0.858 366 L CB -0.642 41.434 42.059 0.029 0.000 0.969 366 L HN 1.948 nan 8.230 nan 0.000 0.451 367 G N 0.894 109.678 108.800 -0.027 0.000 2.295 367 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.287 367 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.287 367 G C 0.082 174.988 174.900 0.010 0.000 1.055 367 G CA 0.286 45.378 45.100 -0.014 0.000 0.922 367 G HN 0.567 nan 8.290 nan 0.000 0.503 368 A N -0.783 122.047 122.820 0.016 0.000 2.402 368 A HA 0.766 5.086 4.320 -0.000 0.000 0.291 368 A C -0.375 177.224 177.584 0.025 0.000 1.051 368 A CA -0.331 51.722 52.037 0.027 0.000 0.716 368 A CB 2.072 21.093 19.000 0.035 0.000 1.223 368 A HN 1.214 nan 8.150 nan 0.000 0.425 369 V N 4.061 123.989 119.914 0.024 0.000 2.370 369 V HA 0.340 4.460 4.120 -0.000 0.000 0.279 369 V C 0.235 176.338 176.094 0.016 0.000 1.029 369 V CA -0.361 61.951 62.300 0.020 0.000 0.870 369 V CB 1.114 32.949 31.823 0.019 0.000 0.984 369 V HN 0.801 nan 8.190 nan 0.000 0.451 370 L N 5.181 126.408 121.223 0.007 0.000 2.436 370 L HA 0.442 4.782 4.340 -0.000 0.000 0.265 370 L C -0.027 176.833 176.870 -0.017 0.000 1.168 370 L CA -0.249 54.583 54.840 -0.014 0.000 0.815 370 L CB 0.865 42.901 42.059 -0.038 0.000 1.109 370 L HN 0.495 nan 8.230 nan 0.000 0.462 371 I N 3.315 123.869 120.570 -0.028 0.000 2.316 371 I HA 0.084 4.254 4.170 -0.000 0.000 0.286 371 I C 0.912 177.004 176.117 -0.042 0.000 1.107 371 I CA -0.559 60.729 61.300 -0.019 0.000 1.219 371 I CB 0.750 38.746 38.000 -0.007 0.000 1.455 371 I HN 0.618 nan 8.210 nan 0.000 0.498 372 K N 3.769 124.147 120.400 -0.037 0.000 2.127 372 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 372 K C 1.900 178.486 176.600 -0.023 0.000 1.047 372 K CA 1.363 57.624 56.287 -0.044 0.000 0.927 372 K CB -0.306 32.193 32.500 -0.001 0.000 0.716 372 K HN 0.499 nan 8.250 nan 0.000 0.450 373 R N 1.056 121.553 120.500 -0.006 0.000 2.120 373 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 373 R C 1.433 177.737 176.300 0.006 0.000 1.123 373 R CA 1.464 57.566 56.100 0.004 0.000 0.975 373 R CB -0.005 30.299 30.300 0.008 0.000 0.866 373 R HN 0.161 nan 8.270 nan 0.000 0.446 374 N N 0.393 119.096 118.700 0.005 0.000 2.354 374 N HA -0.071 4.669 4.740 -0.000 0.000 0.179 374 N C 1.603 177.168 175.510 0.092 0.000 1.021 374 N CA 1.336 54.406 53.050 0.033 0.000 0.887 374 N CB 0.022 38.514 38.487 0.009 0.000 0.974 374 N HN 0.503 nan 8.380 nan 0.000 0.437 375 I N -2.560 118.020 120.570 0.017 0.000 3.645 375 I HA 0.252 4.422 4.170 -0.000 0.000 0.300 375 I C 1.837 178.041 176.117 0.145 0.000 1.260 375 I CA 0.401 61.730 61.300 0.048 0.000 1.365 375 I CB 0.040 37.817 38.000 -0.372 0.000 1.077 375 I HN -0.235 nan 8.210 nan 0.000 0.439 376 E N 2.956 123.206 120.200 0.083 0.000 2.130 376 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 376 E C -0.554 176.095 176.600 0.082 0.000 0.998 376 E CA 1.970 58.465 56.400 0.158 0.000 0.806 376 E CB -1.459 28.289 29.700 0.079 0.000 0.738 376 E HN 0.387 nan 8.360 nan 0.000 0.459 377 P HA -0.094 nan 4.420 nan 0.000 0.228 377 P C -0.057 176.969 177.300 -0.457 0.000 1.151 377 P CA 1.040 63.932 63.100 -0.347 0.000 0.770 377 P CB -0.057 31.294 31.700 -0.581 0.000 0.786 378 Y N -2.257 118.152 120.300 0.181 0.000 2.584 378 Y HA 0.268 4.818 4.550 -0.000 0.000 0.254 378 Y C 0.746 176.825 175.900 0.299 0.000 1.177 378 Y CA -1.260 56.973 58.100 0.222 0.000 1.216 378 Y CB -0.431 38.149 38.460 0.200 0.000 1.172 378 Y HN -0.163 nan 8.280 nan 0.000 0.529 379 L N 0.063 121.493 121.223 0.345 0.000 2.584 379 L HA -0.135 4.205 4.340 -0.000 0.000 0.272 379 L C 0.558 177.497 176.870 0.115 0.000 1.195 379 L CA 0.515 55.414 54.840 0.099 0.000 0.920 379 L CB 0.298 42.371 42.059 0.022 0.000 1.173 379 L HN 0.509 nan 8.230 nan 0.000 0.489 380 W N 5.262 126.499 121.300 -0.105 0.000 2.699 380 W HA 0.569 5.229 4.660 -0.000 0.000 0.265 380 W C 0.207 176.677 176.519 -0.080 0.000 1.210 380 W CA 0.687 58.001 57.345 -0.052 0.000 1.414 380 W CB 0.334 29.780 29.460 -0.022 0.000 1.043 380 W HN 0.702 nan 8.180 nan 0.000 0.599 381 A N -0.086 122.734 122.820 0.000 0.000 2.608 381 A HA 0.670 4.990 4.320 -0.000 0.000 0.292 381 A C -1.280 176.252 177.584 -0.086 0.000 1.066 381 A CA -0.525 51.443 52.037 -0.115 0.000 0.676 381 A CB 1.044 20.023 19.000 -0.035 0.000 1.277 381 A HN -0.135 nan 8.150 nan 0.000 0.413 382 S N -0.350 115.297 115.700 -0.088 0.000 2.571 382 S HA 0.623 5.093 4.470 -0.000 0.000 0.284 382 S C -0.924 173.652 174.600 -0.039 0.000 1.128 382 S CA -0.410 57.752 58.200 -0.065 0.000 0.970 382 S CB 1.161 64.321 63.200 -0.067 0.000 1.039 382 S HN 1.056 nan 8.310 nan 0.000 0.485 383 C N 2.649 121.940 119.300 -0.016 0.000 2.369 383 C HA 0.956 5.416 4.460 -0.000 0.000 0.322 383 C C 0.572 175.561 174.990 -0.000 0.000 1.258 383 C CA -0.794 58.219 59.018 -0.007 0.000 1.487 383 C CB 0.220 27.965 27.740 0.008 0.000 2.165 383 C HN 0.990 nan 8.230 nan 0.000 0.483 384 T N 0.000 114.551 114.554 -0.005 0.000 3.816 384 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 384 T CA 0.000 62.100 62.100 0.000 0.000 1.349 384 T CB 0.000 68.868 68.868 -0.001 0.000 0.612 384 T HN 0.000 nan 8.240 nan 0.000 0.658