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 1c1x_1_A DATA FIRST_RESID 1 DATA SEQUENCE SIDSALNWDG EMTVTRFDSM TGAHFVIRLD STQLGPAAGG TRAAQYSNLA DATA SEQUENCE DALTDAGKLA GAMTLKMAVS NLPMGGGKSV IALPAPRHSI DPSTWARILR DATA SEQUENCE IHAENIDKLS GNYWTGPDVN TNSADMDTLN DTTEFVFGRS LERGGAGSSA DATA SEQUENCE FTTAVGVFEA MKATVAHRGL GSLDGLTVLV QGLGAVGGSL ASLAAEAGAQ DATA SEQUENCE LLVADTDTER VAHAVALGHT AVALEDVLST PCDVFAPCAM GGVITTEVAR DATA SEQUENCE TLDCSVVAGA ANNVIADEAA SDILHARGIL YAPDFVANAG GAIHLVGREV DATA SEQUENCE LGWSESVVHE RAVAIGDTLN QVFEISDNDG VTPDEAARTL AGRRAREA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.581 174.600 -0.032 0.000 1.055 1 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 1 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 2 I N 2.194 122.739 120.570 -0.041 0.000 2.194 2 I HA -0.176 3.994 4.170 -0.000 0.000 0.246 2 I C 2.202 178.305 176.117 -0.023 0.000 1.093 2 I CA 1.473 62.746 61.300 -0.045 0.000 1.355 2 I CB -1.665 36.304 38.000 -0.051 0.000 1.046 2 I HN 0.792 nan 8.210 nan 0.000 0.413 3 D N 0.634 121.025 120.400 -0.015 0.000 2.103 3 D HA -0.194 4.446 4.640 -0.000 0.000 0.190 3 D C 2.169 178.474 176.300 0.008 0.000 0.997 3 D CA 2.283 56.282 54.000 -0.002 0.000 0.833 3 D CB -0.252 40.546 40.800 -0.003 0.000 0.961 3 D HN 0.451 nan 8.370 nan 0.000 0.447 4 S N 1.181 116.884 115.700 0.005 0.000 2.406 4 S HA 0.038 4.508 4.470 -0.000 0.000 0.228 4 S C 2.193 176.808 174.600 0.025 0.000 1.020 4 S CA 0.865 59.075 58.200 0.017 0.000 0.965 4 S CB -0.137 63.071 63.200 0.013 0.000 0.798 4 S HN 0.295 nan 8.310 nan 0.000 0.488 5 A N 1.721 124.541 122.820 0.000 0.000 2.067 5 A HA 0.280 4.600 4.320 -0.000 0.000 0.219 5 A C 2.125 179.723 177.584 0.023 0.000 1.158 5 A CA 0.878 52.905 52.037 -0.016 0.000 0.661 5 A CB -0.694 18.264 19.000 -0.069 0.000 0.801 5 A HN 0.571 nan 8.150 nan 0.000 0.452 6 L N -0.536 120.707 121.223 0.034 0.000 2.554 6 L HA 0.012 4.352 4.340 -0.000 0.000 0.226 6 L C 1.299 178.235 176.870 0.110 0.000 1.137 6 L CA 0.311 55.191 54.840 0.067 0.000 0.863 6 L CB -0.430 41.653 42.059 0.040 0.000 0.985 6 L HN 0.407 nan 8.230 nan 0.000 0.451 7 N N -0.273 118.489 118.700 0.102 0.000 2.416 7 N HA -0.064 4.675 4.740 -0.000 0.000 0.215 7 N C -0.038 175.567 175.510 0.158 0.000 1.208 7 N CA -0.219 52.891 53.050 0.100 0.000 0.834 7 N CB 0.168 38.692 38.487 0.062 0.000 1.072 7 N HN 0.233 nan 8.380 nan 0.000 0.472 8 W N 2.454 123.744 121.300 -0.017 0.000 2.170 8 W HA 0.009 4.670 4.660 0.001 0.000 0.336 8 W C 0.982 177.491 176.519 -0.017 0.000 1.283 8 W CA -0.438 56.896 57.345 -0.018 0.000 1.224 8 W CB 0.628 30.075 29.460 -0.022 0.000 1.132 8 W HN 0.155 nan 8.180 nan 0.000 0.571 9 D N 2.400 122.440 120.400 -0.599 0.000 2.340 9 D HA 0.142 4.782 4.640 -0.000 0.000 0.217 9 D C 0.869 176.649 176.300 -0.867 0.000 1.081 9 D CA -0.130 53.533 54.000 -0.560 0.000 0.842 9 D CB -0.610 39.982 40.800 -0.346 0.000 0.934 9 D HN 0.344 nan 8.370 nan 0.000 0.511 10 G N 0.398 108.094 108.800 -1.840 0.000 2.653 10 G HA2 0.059 4.019 3.960 -0.000 0.000 0.265 10 G HA3 0.059 4.019 3.960 -0.000 0.000 0.265 10 G C 0.606 175.116 174.900 -0.649 0.000 1.237 10 G CA -0.485 43.654 45.100 -1.601 0.000 0.946 10 G HN 0.067 nan 8.290 nan 0.000 0.522 11 E N -1.157 118.862 120.200 -0.301 0.000 2.106 11 E HA 0.006 4.356 4.350 -0.000 0.000 0.192 11 E C 0.853 177.451 176.600 -0.003 0.000 0.984 11 E CA 0.817 57.154 56.400 -0.104 0.000 0.806 11 E CB 0.108 29.784 29.700 -0.040 0.000 0.750 11 E HN 0.401 nan 8.360 nan 0.000 0.458 12 M N -0.450 119.220 119.600 0.116 0.000 2.523 12 M HA 0.168 4.648 4.480 -0.000 0.000 0.287 12 M C -1.843 174.600 176.300 0.240 0.000 1.160 12 M CA -0.180 55.206 55.300 0.144 0.000 0.902 12 M CB 2.533 35.174 32.600 0.068 0.000 1.752 12 M HN -0.267 nan 8.290 nan 0.000 0.504 13 T N 2.905 117.559 114.554 0.165 0.000 2.824 13 T HA 0.675 5.025 4.350 -0.000 0.000 0.282 13 T C -1.273 173.444 174.700 0.028 0.000 0.993 13 T CA -0.489 61.662 62.100 0.085 0.000 0.967 13 T CB 1.736 70.653 68.868 0.082 0.000 0.960 13 T HN 0.432 nan 8.240 nan 0.000 0.441 14 V N 4.178 124.086 119.914 -0.009 0.000 2.495 14 V HA 0.741 4.861 4.120 -0.000 0.000 0.298 14 V C 0.296 176.403 176.094 0.021 0.000 1.031 14 V CA -0.668 61.633 62.300 0.001 0.000 0.871 14 V CB 1.863 33.675 31.823 -0.017 0.000 0.988 14 V HN 1.123 nan 8.190 nan 0.000 0.432 15 T N 2.736 117.319 114.554 0.048 0.000 2.906 15 T HA 0.867 5.217 4.350 -0.000 0.000 0.295 15 T C -0.708 174.068 174.700 0.128 0.000 1.075 15 T CA -0.958 61.202 62.100 0.100 0.000 1.005 15 T CB 2.625 71.550 68.868 0.094 0.000 1.136 15 T HN 0.692 nan 8.240 nan 0.000 0.498 16 R N 0.547 121.180 120.500 0.221 0.000 2.629 16 R HA 0.593 4.933 4.340 -0.000 0.000 0.266 16 R C -2.230 174.288 176.300 0.364 0.000 1.051 16 R CA -0.937 55.279 56.100 0.194 0.000 0.895 16 R CB 2.022 32.316 30.300 -0.010 0.000 1.246 16 R HN 0.777 nan 8.270 nan 0.000 0.459 17 F N 2.662 122.651 119.950 0.066 0.000 2.518 17 F HA 0.369 4.896 4.527 -0.000 0.000 0.323 17 F C -1.172 174.615 175.800 -0.023 0.000 1.129 17 F CA -0.641 57.309 58.000 -0.083 0.000 0.920 17 F CB 1.758 40.637 39.000 -0.201 0.000 1.160 17 F HN 0.547 nan 8.300 nan 0.000 0.440 18 D N 3.993 123.969 120.400 -0.707 0.000 2.454 18 D HA 0.258 4.898 4.640 -0.000 0.000 0.225 18 D C 0.415 176.127 176.300 -0.979 0.000 1.081 18 D CA -0.132 53.507 54.000 -0.603 0.000 0.864 18 D CB 1.668 42.391 40.800 -0.129 0.000 1.040 18 D HN 0.502 nan 8.370 nan 0.000 0.517 19 S N 3.266 118.370 115.700 -0.992 0.000 2.365 19 S HA -0.261 4.209 4.470 -0.000 0.000 0.225 19 S C 1.844 176.299 174.600 -0.241 0.000 1.039 19 S CA 1.294 59.149 58.200 -0.576 0.000 1.033 19 S CB -0.298 62.794 63.200 -0.178 0.000 0.887 19 S HN 0.754 nan 8.310 nan 0.000 0.447 20 M N 1.518 121.008 119.600 -0.184 0.000 2.082 20 M HA -0.195 4.285 4.480 -0.000 0.000 0.258 20 M C 2.052 178.319 176.300 -0.056 0.000 1.069 20 M CA 2.192 57.440 55.300 -0.087 0.000 1.102 20 M CB -0.512 32.046 32.600 -0.071 0.000 1.336 20 M HN 0.493 nan 8.290 nan 0.000 0.404 21 T N -3.871 110.640 114.554 -0.072 0.000 3.037 21 T HA 0.369 4.719 4.350 -0.000 0.000 0.251 21 T C 1.470 176.168 174.700 -0.003 0.000 1.079 21 T CA 0.535 62.629 62.100 -0.011 0.000 1.067 21 T CB 0.042 68.925 68.868 0.025 0.000 0.948 21 T HN 0.738 nan 8.240 nan 0.000 0.496 22 G N 1.537 110.300 108.800 -0.062 0.000 2.148 22 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.254 22 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.254 22 G C 0.264 175.226 174.900 0.104 0.000 0.981 22 G CA 0.006 45.144 45.100 0.063 0.000 0.670 22 G HN 1.185 nan 8.290 nan 0.000 0.528 23 A N 0.340 123.139 122.820 -0.034 0.000 2.340 23 A HA 0.697 5.017 4.320 -0.000 0.000 0.268 23 A C 0.239 177.730 177.584 -0.156 0.000 1.100 23 A CA -0.292 51.677 52.037 -0.112 0.000 0.803 23 A CB 0.437 19.253 19.000 -0.308 0.000 1.043 23 A HN 0.474 nan 8.150 nan 0.000 0.488 24 H N 0.122 119.103 119.070 -0.149 0.000 2.529 24 H HA 0.538 5.094 4.556 -0.000 0.000 0.348 24 H C -1.538 173.572 175.328 -0.363 0.000 1.152 24 H CA 0.043 56.098 56.048 0.011 0.000 1.202 24 H CB 1.540 31.340 29.762 0.063 0.000 1.562 24 H HN 0.549 nan 8.280 nan 0.000 0.515 25 F N 0.957 120.988 119.950 0.134 0.000 2.520 25 F HA 0.389 4.916 4.527 -0.000 0.000 0.322 25 F C -0.180 175.628 175.800 0.013 0.000 1.103 25 F CA -0.752 57.270 58.000 0.037 0.000 0.926 25 F CB 1.796 40.818 39.000 0.036 0.000 1.154 25 F HN 0.081 nan 8.300 nan 0.000 0.453 26 V N 4.586 124.554 119.914 0.090 0.000 2.638 26 V HA 0.534 4.654 4.120 -0.000 0.000 0.306 26 V C -0.495 175.583 176.094 -0.027 0.000 1.052 26 V CA -0.777 61.520 62.300 -0.004 0.000 0.885 26 V CB 2.297 34.045 31.823 -0.126 0.000 0.999 26 V HN 0.569 nan 8.190 nan 0.000 0.424 27 I N 4.419 124.949 120.570 -0.066 0.000 2.447 27 I HA 0.576 4.746 4.170 -0.000 0.000 0.287 27 I C -0.230 175.766 176.117 -0.200 0.000 1.023 27 I CA -0.569 60.623 61.300 -0.180 0.000 1.083 27 I CB 2.015 39.856 38.000 -0.265 0.000 1.245 27 I HN 0.430 nan 8.210 nan 0.000 0.434 28 R N 6.454 126.816 120.500 -0.231 0.000 2.437 28 R HA 0.630 4.969 4.340 -0.000 0.000 0.310 28 R C -1.235 175.066 176.300 0.001 0.000 0.955 28 R CA -0.780 55.222 56.100 -0.163 0.000 0.851 28 R CB 2.005 32.018 30.300 -0.480 0.000 1.161 28 R HN 0.530 nan 8.270 nan 0.000 0.446 29 L N 3.385 124.712 121.223 0.174 0.000 2.277 29 L HA 0.189 4.529 4.340 -0.000 0.000 0.284 29 L C 0.712 177.771 176.870 0.314 0.000 1.028 29 L CA -0.294 54.655 54.840 0.181 0.000 0.835 29 L CB 1.373 43.495 42.059 0.104 0.000 1.215 29 L HN 0.692 nan 8.230 nan 0.000 0.425 30 D N 1.521 122.112 120.400 0.317 0.000 2.103 30 D HA -0.099 4.541 4.640 -0.000 0.000 0.199 30 D C 0.664 176.970 176.300 0.010 0.000 0.978 30 D CA 0.915 55.038 54.000 0.205 0.000 0.829 30 D CB 0.590 41.530 40.800 0.233 0.000 0.981 30 D HN 0.406 nan 8.370 nan 0.000 0.464 31 S N -2.493 113.238 115.700 0.052 0.000 2.537 31 S HA 0.425 4.895 4.470 -0.000 0.000 0.270 31 S C -0.191 174.437 174.600 0.046 0.000 1.142 31 S CA -0.219 57.988 58.200 0.012 0.000 0.870 31 S CB 1.440 64.635 63.200 -0.008 0.000 1.112 31 S HN 0.165 nan 8.310 nan 0.000 0.466 32 T N 0.965 115.536 114.554 0.028 0.000 3.200 32 T HA 0.242 4.592 4.350 -0.000 0.000 0.284 32 T C 1.212 175.925 174.700 0.022 0.000 1.009 32 T CA -0.034 62.091 62.100 0.041 0.000 0.907 32 T CB 0.236 69.132 68.868 0.045 0.000 1.120 32 T HN 0.602 nan 8.240 nan 0.000 0.534 33 Q N 1.004 120.809 119.800 0.007 0.000 2.061 33 Q HA 0.004 4.343 4.340 -0.000 0.000 0.204 33 Q C 1.736 177.738 176.000 0.003 0.000 0.984 33 Q CA 1.490 57.292 55.803 -0.001 0.000 0.846 33 Q CB -0.242 28.489 28.738 -0.011 0.000 0.902 33 Q HN 0.616 nan 8.270 nan 0.000 0.421 34 L N -0.806 120.420 121.223 0.007 0.000 2.509 34 L HA 0.265 4.605 4.340 -0.000 0.000 0.222 34 L C 0.964 177.837 176.870 0.004 0.000 1.123 34 L CA 0.375 55.217 54.840 0.004 0.000 0.856 34 L CB 0.413 42.473 42.059 0.002 0.000 0.985 34 L HN 0.354 nan 8.230 nan 0.000 0.456 35 G N -1.193 107.616 108.800 0.016 0.000 2.315 35 G HA2 0.178 4.138 3.960 -0.000 0.000 0.294 35 G HA3 0.178 4.138 3.960 -0.000 0.000 0.294 35 G C -3.129 171.803 174.900 0.053 0.000 1.300 35 G CA -0.875 44.237 45.100 0.020 0.000 0.843 35 G HN -0.362 nan 8.290 nan 0.000 0.527 36 P HA 0.429 nan 4.420 nan 0.000 0.268 36 P C 0.210 177.617 177.300 0.178 0.000 1.208 36 P CA 0.414 63.604 63.100 0.149 0.000 0.777 36 P CB 0.709 32.568 31.700 0.264 0.000 0.875 37 A N 1.897 124.855 122.820 0.229 0.000 2.425 37 A HA 0.552 4.872 4.320 -0.000 0.000 0.249 37 A C 0.073 177.878 177.584 0.369 0.000 1.084 37 A CA 0.342 52.550 52.037 0.285 0.000 0.781 37 A CB -0.369 18.824 19.000 0.321 0.000 1.019 37 A HN 0.579 nan 8.150 nan 0.000 0.490 38 A N 0.874 123.893 122.820 0.331 0.000 2.486 38 A HA 0.913 5.233 4.320 -0.000 0.000 0.300 38 A C -0.140 177.653 177.584 0.348 0.000 1.048 38 A CA 0.059 52.282 52.037 0.311 0.000 0.696 38 A CB 1.600 20.792 19.000 0.321 0.000 1.278 38 A HN 2.513 nan 8.150 nan 0.000 0.405 39 G N -0.334 108.692 108.800 0.376 0.000 2.411 39 G HA2 0.617 4.577 3.960 -0.000 0.000 0.295 39 G HA3 0.617 4.577 3.960 -0.000 0.000 0.295 39 G C -0.113 175.001 174.900 0.357 0.000 1.542 39 G CA 0.219 45.528 45.100 0.348 0.000 0.814 39 G HN 1.466 nan 8.290 nan 0.000 0.557 40 G N -0.788 108.179 108.800 0.280 0.000 2.653 40 G HA2 0.508 4.468 3.960 -0.000 0.000 0.265 40 G HA3 0.508 4.468 3.960 -0.000 0.000 0.265 40 G C -0.169 174.904 174.900 0.288 0.000 1.237 40 G CA 0.089 45.350 45.100 0.269 0.000 0.946 40 G HN 0.747 nan 8.290 nan 0.000 0.522 41 T N 0.184 114.899 114.554 0.268 0.000 2.772 41 T HA 0.432 4.781 4.350 -0.000 0.000 0.288 41 T C 0.213 175.016 174.700 0.170 0.000 0.994 41 T CA -0.366 61.873 62.100 0.232 0.000 0.951 41 T CB 0.935 69.967 68.868 0.275 0.000 0.933 41 T HN 0.581 nan 8.240 nan 0.000 0.447 42 R N 2.332 122.912 120.500 0.132 0.000 2.346 42 R HA 0.739 5.079 4.340 -0.000 0.000 0.311 42 R C -1.083 175.291 176.300 0.123 0.000 0.983 42 R CA -0.618 55.560 56.100 0.129 0.000 0.880 42 R CB 0.766 31.143 30.300 0.129 0.000 1.100 42 R HN 0.642 nan 8.270 nan 0.000 0.453 43 A N 3.118 126.024 122.820 0.143 0.000 2.330 43 A HA 0.833 5.153 4.320 -0.000 0.000 0.313 43 A C -1.197 176.442 177.584 0.091 0.000 1.124 43 A CA -0.189 51.940 52.037 0.154 0.000 0.774 43 A CB 1.597 20.773 19.000 0.294 0.000 1.198 43 A HN 1.009 nan 8.150 nan 0.000 0.465 44 A N 2.039 124.913 122.820 0.091 0.000 2.540 44 A HA 0.687 5.007 4.320 -0.000 0.000 0.291 44 A C -1.167 176.382 177.584 -0.058 0.000 1.083 44 A CA -0.651 51.355 52.037 -0.053 0.000 0.650 44 A CB 0.637 19.518 19.000 -0.198 0.000 1.292 44 A HN 0.779 nan 8.150 nan 0.000 0.435 45 Q N -0.395 119.296 119.800 -0.181 0.000 2.230 45 Q HA 0.607 4.947 4.340 -0.000 0.000 0.248 45 Q C -1.722 174.085 176.000 -0.320 0.000 0.915 45 Q CA 0.038 55.773 55.803 -0.114 0.000 0.900 45 Q CB 1.398 30.085 28.738 -0.085 0.000 1.229 45 Q HN 0.589 nan 8.270 nan 0.000 0.439 46 Y N -0.784 119.495 120.300 -0.034 0.000 2.512 46 Y HA 0.146 4.696 4.550 0.000 0.000 0.348 46 Y C 0.853 176.727 175.900 -0.044 0.000 0.990 46 Y CA -0.583 57.491 58.100 -0.044 0.000 1.033 46 Y CB 2.201 40.624 38.460 -0.061 0.000 1.259 46 Y HN 0.649 nan 8.280 nan 0.000 0.461 47 S N 1.036 116.797 115.700 0.101 0.000 2.368 47 S HA -0.068 4.402 4.470 -0.000 0.000 0.224 47 S C -0.226 174.391 174.600 0.029 0.000 1.029 47 S CA 1.105 59.330 58.200 0.042 0.000 0.988 47 S CB -0.284 62.929 63.200 0.022 0.000 0.838 47 S HN 0.729 nan 8.310 nan 0.000 0.462 48 N N -0.426 118.295 118.700 0.035 0.000 2.284 48 N HA 0.436 5.175 4.740 -0.000 0.000 0.289 48 N C -0.030 175.423 175.510 -0.094 0.000 1.179 48 N CA -0.649 52.378 53.050 -0.039 0.000 0.774 48 N CB 1.187 39.644 38.487 -0.050 0.000 1.548 48 N HN -0.100 nan 8.380 nan 0.000 0.473 49 L N 1.442 122.546 121.223 -0.199 0.000 2.079 49 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 49 L C 1.987 178.716 176.870 -0.234 0.000 1.081 49 L CA 1.927 56.590 54.840 -0.294 0.000 0.752 49 L CB -0.774 41.036 42.059 -0.414 0.000 0.896 49 L HN 0.830 nan 8.230 nan 0.000 0.433 50 A N -0.731 121.993 122.820 -0.161 0.000 1.940 50 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 50 A C 1.961 179.461 177.584 -0.139 0.000 1.176 50 A CA 2.005 53.963 52.037 -0.131 0.000 0.631 50 A CB -0.798 18.152 19.000 -0.083 0.000 0.814 50 A HN 0.587 nan 8.150 nan 0.000 0.446 51 D N 0.040 120.375 120.400 -0.109 0.000 2.144 51 D HA -0.009 4.631 4.640 -0.000 0.000 0.200 51 D C 2.198 178.350 176.300 -0.247 0.000 0.978 51 D CA 1.365 55.331 54.000 -0.056 0.000 0.833 51 D CB -0.437 40.445 40.800 0.137 0.000 0.961 51 D HN 0.455 nan 8.370 nan 0.000 0.470 52 A N 0.832 123.312 122.820 -0.567 0.000 1.930 52 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 52 A C 2.380 179.659 177.584 -0.509 0.000 1.175 52 A CA 0.772 52.215 52.037 -0.990 0.000 0.627 52 A CB -0.710 17.722 19.000 -0.947 0.000 0.815 52 A HN 0.164 nan 8.150 nan 0.000 0.443 53 L N -0.921 120.083 121.223 -0.364 0.000 2.056 53 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 53 L C 2.823 179.489 176.870 -0.340 0.000 1.078 53 L CA 1.753 56.401 54.840 -0.321 0.000 0.749 53 L CB -0.791 41.123 42.059 -0.243 0.000 0.901 53 L HN 0.331 nan 8.230 nan 0.000 0.433 54 T N -1.066 113.339 114.554 -0.248 0.000 2.684 54 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 54 T C 1.436 176.029 174.700 -0.178 0.000 1.036 54 T CA 1.862 63.846 62.100 -0.194 0.000 1.148 54 T CB -0.269 68.542 68.868 -0.096 0.000 0.863 54 T HN 0.336 nan 8.240 nan 0.000 0.436 55 D N 0.626 120.939 120.400 -0.144 0.000 2.097 55 D HA -0.026 4.613 4.640 -0.000 0.000 0.195 55 D C 2.268 178.497 176.300 -0.119 0.000 0.989 55 D CA 1.141 55.102 54.000 -0.065 0.000 0.827 55 D CB -0.208 40.595 40.800 0.006 0.000 0.966 55 D HN 0.344 nan 8.370 nan 0.000 0.456 56 A N 0.102 122.791 122.820 -0.220 0.000 1.908 56 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 56 A C 2.320 179.719 177.584 -0.307 0.000 1.181 56 A CA 2.107 54.002 52.037 -0.237 0.000 0.627 56 A CB -1.296 17.533 19.000 -0.286 0.000 0.818 56 A HN 0.364 nan 8.150 nan 0.000 0.445 57 G N -0.568 107.921 108.800 -0.519 0.000 2.402 57 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 57 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 57 G C 1.694 176.529 174.900 -0.107 0.000 1.162 57 G CA 1.040 45.698 45.100 -0.736 0.000 0.777 57 G HN 0.576 nan 8.290 nan 0.000 0.539 58 K N -0.205 120.154 120.400 -0.069 0.000 2.103 58 K HA 0.151 4.471 4.320 -0.000 0.000 0.204 58 K C 2.491 179.130 176.600 0.065 0.000 1.052 58 K CA 0.481 56.798 56.287 0.050 0.000 0.945 58 K CB -0.213 32.311 32.500 0.041 0.000 0.722 58 K HN 0.250 nan 8.250 nan 0.000 0.443 59 L N 0.540 121.783 121.223 0.034 0.000 2.093 59 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 59 L C 2.563 179.486 176.870 0.087 0.000 1.085 59 L CA 0.982 55.862 54.840 0.067 0.000 0.755 59 L CB -0.501 41.594 42.059 0.060 0.000 0.904 59 L HN 0.169 nan 8.230 nan 0.000 0.435 60 A N 0.290 123.157 122.820 0.079 0.000 1.902 60 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 60 A C 2.403 180.086 177.584 0.165 0.000 1.181 60 A CA 1.715 53.836 52.037 0.141 0.000 0.623 60 A CB -1.244 17.854 19.000 0.162 0.000 0.818 60 A HN 0.428 nan 8.150 nan 0.000 0.443 61 G N -0.652 108.261 108.800 0.188 0.000 2.408 61 G HA2 0.051 4.011 3.960 -0.000 0.000 0.217 61 G HA3 0.051 4.011 3.960 -0.000 0.000 0.217 61 G C 1.686 176.582 174.900 -0.007 0.000 1.150 61 G CA 1.288 46.457 45.100 0.115 0.000 0.776 61 G HN 0.778 nan 8.290 nan 0.000 0.542 62 A N 0.576 123.406 122.820 0.017 0.000 1.969 62 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 62 A C 2.400 179.978 177.584 -0.010 0.000 1.169 62 A CA 1.668 53.685 52.037 -0.034 0.000 0.635 62 A CB -0.290 18.770 19.000 0.099 0.000 0.810 62 A HN 0.295 nan 8.150 nan 0.000 0.445 63 M N -0.398 119.239 119.600 0.061 0.000 2.159 63 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 63 M C 2.150 178.477 176.300 0.046 0.000 1.063 63 M CA 1.848 57.200 55.300 0.086 0.000 1.110 63 M CB -1.913 30.768 32.600 0.135 0.000 1.374 63 M HN 0.425 nan 8.290 nan 0.000 0.411 64 T N 1.677 116.241 114.554 0.017 0.000 2.684 64 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 64 T C 2.041 176.702 174.700 -0.066 0.000 1.036 64 T CA 1.255 63.349 62.100 -0.010 0.000 1.148 64 T CB -0.345 68.512 68.868 -0.019 0.000 0.863 64 T HN 0.315 nan 8.240 nan 0.000 0.436 65 L N 0.660 121.769 121.223 -0.189 0.000 2.093 65 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 65 L C 2.664 179.495 176.870 -0.065 0.000 1.085 65 L CA 1.223 55.880 54.840 -0.305 0.000 0.755 65 L CB -0.480 40.971 42.059 -1.013 0.000 0.904 65 L HN 0.230 nan 8.230 nan 0.000 0.435 66 K N 0.110 120.531 120.400 0.036 0.000 2.032 66 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 66 K C 2.250 178.918 176.600 0.114 0.000 1.048 66 K CA 1.510 57.918 56.287 0.202 0.000 0.927 66 K CB 0.032 32.639 32.500 0.178 0.000 0.712 66 K HN 0.119 nan 8.250 nan 0.000 0.441 67 M N 0.570 120.209 119.600 0.064 0.000 2.099 67 M HA -0.086 4.394 4.480 -0.000 0.000 0.262 67 M C 2.490 178.812 176.300 0.038 0.000 1.067 67 M CA 1.673 56.997 55.300 0.040 0.000 1.124 67 M CB -1.234 31.382 32.600 0.026 0.000 1.353 67 M HN 0.322 nan 8.290 nan 0.000 0.410 68 A N -0.096 122.743 122.820 0.031 0.000 1.851 68 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 68 A C 2.429 180.041 177.584 0.047 0.000 1.195 68 A CA 2.135 54.188 52.037 0.026 0.000 0.622 68 A CB -1.252 17.751 19.000 0.006 0.000 0.831 68 A HN 0.295 nan 8.150 nan 0.000 0.444 69 V N 0.180 120.144 119.914 0.083 0.000 2.913 69 V HA -0.103 4.017 4.120 -0.000 0.000 0.260 69 V C 1.850 177.980 176.094 0.060 0.000 1.098 69 V CA 2.207 64.561 62.300 0.091 0.000 1.121 69 V CB -0.222 31.707 31.823 0.176 0.000 0.714 69 V HN 0.539 nan 8.190 nan 0.000 0.487 70 S N 0.111 115.852 115.700 0.069 0.000 2.557 70 S HA 0.194 4.664 4.470 -0.000 0.000 0.223 70 S C 0.570 175.219 174.600 0.081 0.000 0.969 70 S CA 0.247 58.486 58.200 0.065 0.000 0.927 70 S CB -0.300 62.943 63.200 0.072 0.000 0.806 70 S HN 0.807 nan 8.310 nan 0.000 0.489 71 N N 0.924 119.662 118.700 0.064 0.000 2.754 71 N HA -0.133 4.606 4.740 -0.000 0.000 0.248 71 N C -1.177 174.377 175.510 0.073 0.000 1.093 71 N CA 0.207 53.299 53.050 0.071 0.000 0.699 71 N CB -1.343 37.198 38.487 0.090 0.000 1.016 71 N HN 0.386 nan 8.380 nan 0.000 0.552 72 L N 0.471 121.710 121.223 0.028 0.000 2.307 72 L HA 0.479 4.819 4.340 -0.000 0.000 0.284 72 L C -1.728 175.114 176.870 -0.046 0.000 1.023 72 L CA -1.865 52.950 54.840 -0.043 0.000 0.810 72 L CB 1.138 43.148 42.059 -0.082 0.000 1.231 72 L HN -0.152 nan 8.230 nan 0.000 0.423 73 P HA 0.165 nan 4.420 nan 0.000 0.226 73 P C -0.887 176.380 177.300 -0.055 0.000 1.783 73 P CA 0.210 63.278 63.100 -0.054 0.000 0.980 73 P CB 0.123 31.783 31.700 -0.067 0.000 1.967 74 M N -0.253 119.327 119.600 -0.033 0.000 2.575 74 M HA 0.501 4.981 4.480 -0.000 0.000 0.284 74 M C 0.589 176.906 176.300 0.030 0.000 1.253 74 M CA -0.602 54.695 55.300 -0.005 0.000 0.861 74 M CB 2.246 34.843 32.600 -0.004 0.000 1.733 74 M HN -0.027 nan 8.290 nan 0.000 0.462 75 G N -0.038 108.800 108.800 0.064 0.000 2.532 75 G HA2 0.711 4.671 3.960 -0.000 0.000 0.291 75 G HA3 0.711 4.671 3.960 -0.000 0.000 0.291 75 G C -0.478 174.489 174.900 0.113 0.000 1.349 75 G CA -0.528 44.617 45.100 0.076 0.000 1.038 75 G HN 0.809 nan 8.290 nan 0.000 0.518 76 G N -1.637 107.236 108.800 0.121 0.000 2.470 76 G HA2 0.680 4.640 3.960 -0.000 0.000 0.320 76 G HA3 0.680 4.640 3.960 -0.000 0.000 0.320 76 G C -0.361 174.661 174.900 0.203 0.000 1.245 76 G CA 0.165 45.356 45.100 0.152 0.000 0.935 76 G HN 1.053 nan 8.290 nan 0.000 0.476 77 G N 0.013 108.971 108.800 0.264 0.000 2.708 77 G HA2 0.696 4.656 3.960 -0.000 0.000 0.289 77 G HA3 0.696 4.656 3.960 -0.000 0.000 0.289 77 G C -1.695 173.356 174.900 0.252 0.000 1.416 77 G CA -0.798 44.452 45.100 0.249 0.000 0.829 77 G HN 0.694 nan 8.290 nan 0.000 0.480 78 K N -0.844 119.611 120.400 0.091 0.000 2.578 78 K HA 0.653 4.973 4.320 -0.000 0.000 0.269 78 K C -1.091 175.506 176.600 -0.005 0.000 0.941 78 K CA -0.425 55.936 56.287 0.123 0.000 0.847 78 K CB 1.981 34.530 32.500 0.081 0.000 1.397 78 K HN 0.600 nan 8.250 nan 0.000 0.422 79 S N 0.946 116.711 115.700 0.109 0.000 2.503 79 S HA 0.725 5.195 4.470 -0.000 0.000 0.301 79 S C -1.337 173.274 174.600 0.018 0.000 1.087 79 S CA -0.792 57.445 58.200 0.061 0.000 1.042 79 S CB 1.770 65.106 63.200 0.226 0.000 1.043 79 S HN 0.275 nan 8.310 nan 0.000 0.489 80 V N 3.392 123.273 119.914 -0.056 0.000 2.525 80 V HA 0.464 4.584 4.120 -0.000 0.000 0.299 80 V C -0.847 175.173 176.094 -0.123 0.000 1.034 80 V CA -0.503 61.756 62.300 -0.069 0.000 0.863 80 V CB 1.505 33.236 31.823 -0.153 0.000 0.999 80 V HN 0.808 nan 8.190 nan 0.000 0.423 81 I N 4.205 124.709 120.570 -0.110 0.000 2.330 81 I HA 0.576 4.746 4.170 -0.000 0.000 0.289 81 I C 0.610 176.682 176.117 -0.075 0.000 1.001 81 I CA -0.457 60.704 61.300 -0.232 0.000 1.193 81 I CB 1.666 39.488 38.000 -0.296 0.000 1.345 81 I HN 0.683 nan 8.210 nan 0.000 0.461 82 A N 8.332 131.095 122.820 -0.096 0.000 2.343 82 A HA 0.539 4.859 4.320 -0.000 0.000 0.305 82 A C -0.058 177.561 177.584 0.058 0.000 1.308 82 A CA -0.415 51.677 52.037 0.092 0.000 0.949 82 A CB -0.081 18.942 19.000 0.040 0.000 1.148 82 A HN 0.707 nan 8.150 nan 0.000 0.545 83 L N 4.272 125.549 121.223 0.089 0.000 2.456 83 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 83 L C -1.039 175.880 176.870 0.082 0.000 1.189 83 L CA -1.361 53.521 54.840 0.070 0.000 0.846 83 L CB 0.787 42.888 42.059 0.070 0.000 1.111 83 L HN 0.536 nan 8.230 nan 0.000 0.475 84 P HA 0.081 nan 4.420 nan 0.000 0.236 84 P C -0.121 177.218 177.300 0.065 0.000 1.177 84 P CA 0.570 63.725 63.100 0.091 0.000 0.773 84 P CB 0.545 32.299 31.700 0.090 0.000 0.878 85 A N -1.026 121.823 122.820 0.048 0.000 2.564 85 A HA 0.637 4.957 4.320 -0.000 0.000 0.291 85 A C -3.131 174.452 177.584 -0.000 0.000 1.102 85 A CA -1.552 50.500 52.037 0.025 0.000 0.660 85 A CB 0.320 19.340 19.000 0.032 0.000 1.283 85 A HN -0.278 nan 8.150 nan 0.000 0.430 86 P HA 0.233 nan 4.420 nan 0.000 0.268 86 P C 0.650 177.896 177.300 -0.091 0.000 1.205 86 P CA -0.092 62.967 63.100 -0.068 0.000 0.771 86 P CB 0.682 32.342 31.700 -0.066 0.000 0.858 87 R N 3.262 123.652 120.500 -0.182 0.000 2.140 87 R HA -0.255 4.085 4.340 -0.000 0.000 0.250 87 R C 1.648 177.867 176.300 -0.135 0.000 1.150 87 R CA 2.169 58.116 56.100 -0.255 0.000 0.966 87 R CB -1.069 29.000 30.300 -0.385 0.000 0.869 87 R HN 0.544 nan 8.270 nan 0.000 0.445 88 H N -1.026 117.965 119.070 -0.132 0.000 2.529 88 H HA 0.107 4.663 4.556 -0.000 0.000 0.277 88 H C 1.840 177.120 175.328 -0.079 0.000 0.999 88 H CA 1.285 57.265 56.048 -0.115 0.000 1.256 88 H CB -0.069 29.641 29.762 -0.085 0.000 1.402 88 H HN 0.444 nan 8.280 nan 0.000 0.566 89 S N -0.106 115.634 115.700 0.066 0.000 2.558 89 S HA 0.081 4.551 4.470 -0.000 0.000 0.217 89 S C 0.829 175.450 174.600 0.035 0.000 0.975 89 S CA -0.279 57.945 58.200 0.039 0.000 0.912 89 S CB -0.369 62.847 63.200 0.026 0.000 0.776 89 S HN 0.124 nan 8.310 nan 0.000 0.526 90 I N 3.900 124.489 120.570 0.032 0.000 2.396 90 I HA 0.188 4.358 4.170 -0.000 0.000 0.289 90 I C -0.076 176.083 176.117 0.070 0.000 1.056 90 I CA -0.722 60.616 61.300 0.064 0.000 1.365 90 I CB 0.583 38.643 38.000 0.100 0.000 1.407 90 I HN 0.331 nan 8.210 nan 0.000 0.509 91 D N 7.121 127.571 120.400 0.084 0.000 2.368 91 D HA 0.087 4.727 4.640 -0.000 0.000 0.240 91 D C -2.029 174.348 176.300 0.129 0.000 1.169 91 D CA -1.406 52.642 54.000 0.080 0.000 0.906 91 D CB 0.383 41.218 40.800 0.059 0.000 1.187 91 D HN 0.218 nan 8.370 nan 0.000 0.435 92 P HA -0.137 nan 4.420 nan 0.000 0.218 92 P C 1.114 178.524 177.300 0.182 0.000 1.148 92 P CA 1.023 64.222 63.100 0.164 0.000 0.822 92 P CB 0.128 31.893 31.700 0.109 0.000 0.784 93 S N -1.284 114.489 115.700 0.122 0.000 2.368 93 S HA -0.106 4.364 4.470 -0.000 0.000 0.224 93 S C 1.895 176.558 174.600 0.105 0.000 1.029 93 S CA 1.704 59.960 58.200 0.093 0.000 0.988 93 S CB -1.228 62.010 63.200 0.062 0.000 0.838 93 S HN 0.255 nan 8.310 nan 0.000 0.462 94 T N 1.189 115.821 114.554 0.131 0.000 2.708 94 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 94 T C 1.358 176.175 174.700 0.196 0.000 1.037 94 T CA 0.992 63.175 62.100 0.139 0.000 1.146 94 T CB -0.328 68.623 68.868 0.139 0.000 0.865 94 T HN 0.599 nan 8.240 nan 0.000 0.435 95 W N 1.841 123.169 121.300 0.046 0.000 2.335 95 W HA -0.169 4.491 4.660 0.000 0.000 0.311 95 W C 2.547 179.107 176.519 0.068 0.000 1.213 95 W CA 1.136 58.515 57.345 0.058 0.000 1.274 95 W CB -0.344 29.151 29.460 0.057 0.000 1.148 95 W HN 0.299 nan 8.180 nan 0.000 0.498 96 A N 0.949 123.819 122.820 0.084 0.000 1.908 96 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 96 A C 2.066 179.604 177.584 -0.075 0.000 1.181 96 A CA 2.008 54.027 52.037 -0.030 0.000 0.627 96 A CB -1.065 17.962 19.000 0.045 0.000 0.818 96 A HN 0.445 nan 8.150 nan 0.000 0.445 97 R N -0.334 120.151 120.500 -0.024 0.000 2.090 97 R HA -0.010 4.330 4.340 -0.000 0.000 0.228 97 R C 1.928 178.211 176.300 -0.028 0.000 1.110 97 R CA 1.420 57.504 56.100 -0.026 0.000 0.973 97 R CB -0.376 29.924 30.300 -0.000 0.000 0.869 97 R HN 0.517 nan 8.270 nan 0.000 0.440 98 I N 1.121 121.680 120.570 -0.019 0.000 2.208 98 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 98 I C 2.153 178.271 176.117 0.001 0.000 1.097 98 I CA 1.329 62.668 61.300 0.065 0.000 1.363 98 I CB -0.167 37.808 38.000 -0.042 0.000 1.051 98 I HN 0.259 nan 8.210 nan 0.000 0.413 99 L N 0.027 121.089 121.223 -0.267 0.000 2.093 99 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 99 L C 2.737 179.556 176.870 -0.085 0.000 1.085 99 L CA 1.082 55.795 54.840 -0.212 0.000 0.755 99 L CB -0.608 41.241 42.059 -0.349 0.000 0.904 99 L HN 0.247 nan 8.230 nan 0.000 0.435 100 R N 0.997 121.436 120.500 -0.102 0.000 2.073 100 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 100 R C 2.287 178.513 176.300 -0.123 0.000 1.134 100 R CA 1.529 57.571 56.100 -0.098 0.000 0.952 100 R CB -0.219 30.030 30.300 -0.086 0.000 0.850 100 R HN 0.275 nan 8.270 nan 0.000 0.433 101 I N 0.047 120.526 120.570 -0.152 0.000 2.226 101 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 101 I C 2.473 178.388 176.117 -0.336 0.000 1.100 101 I CA 1.500 62.615 61.300 -0.308 0.000 1.374 101 I CB -0.525 37.198 38.000 -0.463 0.000 1.057 101 I HN 0.358 nan 8.210 nan 0.000 0.413 102 H N 1.511 120.411 119.070 -0.283 0.000 2.352 102 H HA -0.171 4.385 4.556 -0.000 0.000 0.299 102 H C 2.127 177.406 175.328 -0.081 0.000 1.097 102 H CA 1.829 57.816 56.048 -0.103 0.000 1.311 102 H CB -0.156 29.686 29.762 0.132 0.000 1.377 102 H HN 0.300 nan 8.280 nan 0.000 0.504 103 A N 0.549 123.253 122.820 -0.192 0.000 1.933 103 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 103 A C 2.317 179.792 177.584 -0.183 0.000 1.175 103 A CA 1.757 53.657 52.037 -0.228 0.000 0.628 103 A CB -0.471 18.434 19.000 -0.158 0.000 0.814 103 A HN 0.670 nan 8.150 nan 0.000 0.444 104 E N -0.073 120.028 120.200 -0.165 0.000 2.110 104 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 104 E C 1.747 178.270 176.600 -0.128 0.000 0.988 104 E CA 1.141 57.457 56.400 -0.140 0.000 0.804 104 E CB -0.157 29.453 29.700 -0.150 0.000 0.745 104 E HN 0.574 nan 8.360 nan 0.000 0.458 105 N N 0.822 119.432 118.700 -0.151 0.000 2.106 105 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 105 N C 1.905 177.373 175.510 -0.070 0.000 1.029 105 N CA 0.930 53.918 53.050 -0.104 0.000 0.848 105 N CB -0.251 38.193 38.487 -0.072 0.000 1.007 105 N HN 0.164 nan 8.380 nan 0.000 0.423 106 I N 0.918 121.426 120.570 -0.103 0.000 2.208 106 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 106 I C 1.888 177.999 176.117 -0.010 0.000 1.097 106 I CA 1.286 62.567 61.300 -0.032 0.000 1.363 106 I CB -0.280 37.651 38.000 -0.115 0.000 1.051 106 I HN 0.044 nan 8.210 nan 0.000 0.413 107 D N 0.996 121.389 120.400 -0.012 0.000 2.149 107 D HA -0.195 4.445 4.640 -0.000 0.000 0.198 107 D C 2.150 178.465 176.300 0.025 0.000 0.990 107 D CA 1.315 55.352 54.000 0.063 0.000 0.839 107 D CB 0.058 40.848 40.800 -0.016 0.000 0.948 107 D HN 0.157 nan 8.370 nan 0.000 0.460 108 K N -0.408 119.975 120.400 -0.028 0.000 2.209 108 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 108 K C 1.913 178.476 176.600 -0.061 0.000 1.048 108 K CA 0.520 56.783 56.287 -0.039 0.000 0.940 108 K CB -0.035 32.439 32.500 -0.045 0.000 0.729 108 K HN 0.295 nan 8.250 nan 0.000 0.451 109 L N 1.061 122.232 121.223 -0.085 0.000 2.552 109 L HA -0.038 4.302 4.340 -0.000 0.000 0.227 109 L C 0.224 176.939 176.870 -0.259 0.000 1.146 109 L CA 0.084 54.849 54.840 -0.126 0.000 0.858 109 L CB -0.441 41.573 42.059 -0.075 0.000 0.969 109 L HN 0.078 nan 8.230 nan 0.000 0.451 110 S N 0.422 115.930 115.700 -0.319 0.000 3.477 110 S HA -0.219 4.251 4.470 -0.000 0.000 0.371 110 S C 1.255 175.330 174.600 -0.875 0.000 0.965 110 S CA 0.548 58.485 58.200 -0.439 0.000 1.239 110 S CB -1.975 61.140 63.200 -0.142 0.000 0.918 110 S HN 0.854 nan 8.310 nan 0.000 0.498 111 G N 0.870 108.566 108.800 -1.842 0.000 2.194 111 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.236 111 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.236 111 G C 0.558 175.173 174.900 -0.476 0.000 0.987 111 G CA 0.248 44.492 45.100 -1.425 0.000 0.635 111 G HN 0.578 nan 8.290 nan 0.000 0.520 112 N N -0.668 117.825 118.700 -0.345 0.000 2.463 112 N HA 0.111 4.851 4.740 -0.000 0.000 0.181 112 N C 0.090 175.648 175.510 0.080 0.000 1.078 112 N CA 0.836 53.847 53.050 -0.065 0.000 0.902 112 N CB 0.256 38.717 38.487 -0.043 0.000 0.970 112 N HN 0.685 nan 8.380 nan 0.000 0.451 113 Y N -0.596 119.591 120.300 -0.190 0.000 2.433 113 Y HA 0.346 4.895 4.550 -0.001 0.000 0.337 113 Y C -1.863 173.952 175.900 -0.142 0.000 1.026 113 Y CA -1.144 56.926 58.100 -0.049 0.000 1.037 113 Y CB 0.943 39.371 38.460 -0.052 0.000 1.245 113 Y HN -0.187 nan 8.280 nan 0.000 0.443 114 W N 4.924 125.701 121.300 -0.872 0.000 2.656 114 W HA 0.583 5.242 4.660 -0.001 0.000 0.327 114 W C -0.058 175.844 176.519 -1.028 0.000 1.041 114 W CA -0.587 56.255 57.345 -0.838 0.000 1.229 114 W CB 2.184 31.200 29.460 -0.739 0.000 1.397 114 W HN 0.520 nan 8.180 nan 0.000 0.479 115 T N 0.945 115.151 114.554 -0.580 0.000 2.893 115 T HA 0.884 5.234 4.350 -0.000 0.000 0.279 115 T C -0.020 174.737 174.700 0.094 0.000 0.991 115 T CA -0.119 61.869 62.100 -0.186 0.000 0.950 115 T CB 0.908 69.795 68.868 0.032 0.000 1.223 115 T HN 0.653 nan 8.240 nan 0.000 0.585 116 G N 0.723 109.651 108.800 0.214 0.000 2.550 116 G HA2 0.598 4.558 3.960 -0.000 0.000 0.293 116 G HA3 0.598 4.558 3.960 -0.000 0.000 0.293 116 G C -3.296 171.744 174.900 0.234 0.000 1.402 116 G CA -0.958 44.298 45.100 0.259 0.000 0.784 116 G HN 0.567 nan 8.290 nan 0.000 0.482 117 P HA 0.529 nan 4.420 nan 0.000 0.276 117 P C -0.787 176.623 177.300 0.183 0.000 1.244 117 P CA 0.048 63.267 63.100 0.199 0.000 0.801 117 P CB 1.986 33.793 31.700 0.179 0.000 1.006 118 D N -0.473 120.029 120.400 0.171 0.000 3.557 118 D HA 0.169 4.809 4.640 -0.000 0.000 0.331 118 D C -1.054 175.322 176.300 0.127 0.000 1.442 118 D CA -0.471 53.617 54.000 0.146 0.000 0.971 118 D CB 0.591 41.482 40.800 0.152 0.000 1.423 118 D HN -0.024 nan 8.370 nan 0.000 0.604 119 V N 2.678 122.656 119.914 0.106 0.000 2.584 119 V HA 0.097 4.217 4.120 -0.000 0.000 0.303 119 V C 0.248 176.392 176.094 0.083 0.000 1.035 119 V CA 0.786 63.132 62.300 0.076 0.000 1.172 119 V CB -0.045 31.812 31.823 0.056 0.000 0.896 119 V HN 0.679 nan 8.190 nan 0.000 0.486 120 N N 1.726 120.459 118.700 0.055 0.000 2.800 120 N HA -0.155 4.585 4.740 -0.000 0.000 0.250 120 N C 0.303 175.899 175.510 0.142 0.000 1.078 120 N CA 1.530 54.600 53.050 0.034 0.000 0.804 120 N CB -1.131 37.332 38.487 -0.041 0.000 1.135 120 N HN 1.027 nan 8.380 nan 0.000 0.565 121 T N -2.114 112.558 114.554 0.196 0.000 2.900 121 T HA 0.711 5.060 4.350 -0.000 0.000 0.295 121 T C -0.108 174.722 174.700 0.216 0.000 1.044 121 T CA -0.740 61.535 62.100 0.291 0.000 0.995 121 T CB 2.850 71.909 68.868 0.320 0.000 1.072 121 T HN 0.269 nan 8.240 nan 0.000 0.473 122 N N 0.319 119.155 118.700 0.227 0.000 3.102 122 N HA 0.449 5.189 4.740 -0.000 0.000 0.299 122 N C 0.838 176.451 175.510 0.171 0.000 1.482 122 N CA -0.919 52.235 53.050 0.173 0.000 0.785 122 N CB 0.451 39.023 38.487 0.142 0.000 1.680 122 N HN 0.360 nan 8.380 nan 0.000 0.594 123 S N -0.801 114.985 115.700 0.144 0.000 2.383 123 S HA -0.125 4.344 4.470 -0.000 0.000 0.229 123 S C 1.766 176.443 174.600 0.127 0.000 1.030 123 S CA 1.447 59.728 58.200 0.134 0.000 1.002 123 S CB -0.837 62.434 63.200 0.119 0.000 0.829 123 S HN 0.703 nan 8.310 nan 0.000 0.467 124 A N 2.030 124.928 122.820 0.131 0.000 1.902 124 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 124 A C 1.787 179.461 177.584 0.150 0.000 1.181 124 A CA 1.677 53.791 52.037 0.127 0.000 0.623 124 A CB -0.605 18.473 19.000 0.130 0.000 0.818 124 A HN 0.375 nan 8.150 nan 0.000 0.443 125 D N -0.432 120.090 120.400 0.204 0.000 2.178 125 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 125 D C 1.944 178.323 176.300 0.131 0.000 0.974 125 D CA 1.059 55.188 54.000 0.215 0.000 0.841 125 D CB -0.305 40.697 40.800 0.336 0.000 0.953 125 D HN 0.277 nan 8.370 nan 0.000 0.478 126 M N 0.889 120.569 119.600 0.134 0.000 2.117 126 M HA -0.111 4.369 4.480 -0.000 0.000 0.262 126 M C 1.462 177.798 176.300 0.061 0.000 1.065 126 M CA 1.160 56.521 55.300 0.102 0.000 1.114 126 M CB -0.862 31.813 32.600 0.124 0.000 1.361 126 M HN -0.075 nan 8.290 nan 0.000 0.408 127 D N 0.054 120.494 120.400 0.067 0.000 2.117 127 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 127 D C 1.990 178.300 176.300 0.017 0.000 0.987 127 D CA 1.591 55.615 54.000 0.041 0.000 0.829 127 D CB -0.434 40.396 40.800 0.050 0.000 0.961 127 D HN 0.302 nan 8.370 nan 0.000 0.460 128 T N 1.093 115.664 114.554 0.028 0.000 2.708 128 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 128 T C 2.191 176.872 174.700 -0.031 0.000 1.037 128 T CA 0.577 62.679 62.100 0.003 0.000 1.146 128 T CB -0.330 68.543 68.868 0.010 0.000 0.865 128 T HN 0.125 nan 8.240 nan 0.000 0.435 129 L N 1.389 122.595 121.223 -0.028 0.000 2.079 129 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 129 L C 2.620 179.433 176.870 -0.095 0.000 1.081 129 L CA 1.172 55.974 54.840 -0.064 0.000 0.752 129 L CB -0.605 41.425 42.059 -0.049 0.000 0.896 129 L HN 0.392 nan 8.230 nan 0.000 0.433 130 N N -0.037 118.617 118.700 -0.077 0.000 2.520 130 N HA -0.183 4.557 4.740 -0.000 0.000 0.185 130 N C 0.937 176.386 175.510 -0.101 0.000 1.068 130 N CA 0.691 53.678 53.050 -0.104 0.000 0.911 130 N CB 0.098 38.541 38.487 -0.073 0.000 0.961 130 N HN 0.341 nan 8.380 nan 0.000 0.446 131 D N -0.613 119.741 120.400 -0.077 0.000 2.269 131 D HA -0.047 4.593 4.640 -0.000 0.000 0.208 131 D C 1.190 177.435 176.300 -0.091 0.000 0.963 131 D CA 1.069 55.028 54.000 -0.070 0.000 0.864 131 D CB 0.126 40.896 40.800 -0.049 0.000 0.936 131 D HN 0.276 nan 8.370 nan 0.000 0.505 132 T N -1.463 113.023 114.554 -0.113 0.000 3.038 132 T HA 0.062 4.412 4.350 -0.000 0.000 0.244 132 T C 0.934 175.531 174.700 -0.172 0.000 1.016 132 T CA 0.274 62.298 62.100 -0.126 0.000 1.098 132 T CB 1.045 69.842 68.868 -0.118 0.000 0.954 132 T HN 0.001 nan 8.240 nan 0.000 0.469 133 T N 0.537 114.958 114.554 -0.221 0.000 2.903 133 T HA 0.334 4.684 4.350 -0.000 0.000 0.299 133 T C 0.311 174.722 174.700 -0.482 0.000 1.093 133 T CA -0.615 61.283 62.100 -0.337 0.000 1.002 133 T CB 2.301 71.012 68.868 -0.261 0.000 1.127 133 T HN 0.150 nan 8.240 nan 0.000 0.488 134 E N 2.224 121.916 120.200 -0.847 0.000 2.216 134 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 134 E C -0.156 175.829 176.600 -1.026 0.000 0.988 134 E CA 0.634 56.481 56.400 -0.921 0.000 0.834 134 E CB -0.028 28.902 29.700 -1.283 0.000 0.772 134 E HN 0.724 nan 8.360 nan 0.000 0.479 135 F N 1.791 121.279 119.950 -0.769 0.000 2.666 135 F HA 0.198 4.725 4.527 0.000 0.000 0.362 135 F C -0.611 174.728 175.800 -0.769 0.000 1.190 135 F CA -0.573 56.607 58.000 -1.368 0.000 1.328 135 F CB 0.295 38.362 39.000 -1.555 0.000 1.682 135 F HN -0.245 nan 8.300 nan 0.000 0.623 136 V N 1.433 121.164 119.914 -0.305 0.000 2.623 136 V HA 0.404 4.524 4.120 -0.000 0.000 0.304 136 V C -0.374 175.716 176.094 -0.007 0.000 1.054 136 V CA -0.961 61.253 62.300 -0.143 0.000 0.882 136 V CB 1.746 33.513 31.823 -0.092 0.000 1.002 136 V HN 0.087 nan 8.190 nan 0.000 0.424 137 F N 1.482 121.551 119.950 0.198 0.000 2.497 137 F HA 0.791 5.317 4.527 -0.001 0.000 0.331 137 F C 1.279 177.143 175.800 0.107 0.000 1.060 137 F CA -0.301 57.779 58.000 0.133 0.000 0.989 137 F CB 1.573 40.625 39.000 0.087 0.000 1.245 137 F HN 0.754 nan 8.300 nan 0.000 0.486 138 G N 1.248 110.235 108.800 0.312 0.000 2.136 138 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.242 138 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.242 138 G C 0.384 175.390 174.900 0.176 0.000 0.989 138 G CA -0.458 44.779 45.100 0.227 0.000 0.682 138 G HN 0.599 nan 8.290 nan 0.000 0.522 139 R N 0.815 121.409 120.500 0.156 0.000 2.738 139 R HA 0.457 4.797 4.340 -0.000 0.000 0.268 139 R C 1.550 177.915 176.300 0.107 0.000 1.062 139 R CA 0.419 56.588 56.100 0.114 0.000 1.158 139 R CB 0.351 30.704 30.300 0.090 0.000 1.046 139 R HN 0.601 nan 8.270 nan 0.000 0.493 140 S N 1.108 116.862 115.700 0.090 0.000 2.569 140 S HA -0.022 4.448 4.470 -0.000 0.000 0.274 140 S C 1.568 176.213 174.600 0.074 0.000 1.353 140 S CA -0.527 57.722 58.200 0.082 0.000 1.023 140 S CB 0.409 63.650 63.200 0.069 0.000 0.876 140 S HN 0.550 nan 8.310 nan 0.000 0.540 141 L N 0.856 122.121 121.223 0.071 0.000 2.042 141 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 141 L C 2.645 179.544 176.870 0.047 0.000 1.076 141 L CA 1.858 56.734 54.840 0.061 0.000 0.749 141 L CB -0.929 41.164 42.059 0.057 0.000 0.893 141 L HN 0.720 nan 8.230 nan 0.000 0.432 142 E N -0.348 119.878 120.200 0.043 0.000 2.153 142 E HA -0.152 4.197 4.350 -0.000 0.000 0.194 142 E C 1.993 178.612 176.600 0.031 0.000 0.988 142 E CA 0.723 57.143 56.400 0.034 0.000 0.811 142 E CB -0.145 29.573 29.700 0.029 0.000 0.746 142 E HN 0.216 nan 8.360 nan 0.000 0.466 143 R N -0.360 120.162 120.500 0.037 0.000 2.310 143 R HA 0.156 4.496 4.340 -0.000 0.000 0.202 143 R C 0.833 177.153 176.300 0.035 0.000 0.933 143 R CA 0.756 56.875 56.100 0.032 0.000 1.054 143 R CB 0.374 30.694 30.300 0.033 0.000 0.985 143 R HN 0.387 nan 8.270 nan 0.000 0.489 144 G N -0.384 108.441 108.800 0.041 0.000 2.159 144 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.227 144 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.227 144 G C 0.444 175.379 174.900 0.058 0.000 0.986 144 G CA -0.079 45.046 45.100 0.043 0.000 0.651 144 G HN 0.578 nan 8.290 nan 0.000 0.523 145 G N -1.020 107.823 108.800 0.071 0.000 2.537 145 G HA2 0.709 4.668 3.960 -0.000 0.000 0.297 145 G HA3 0.709 4.668 3.960 -0.000 0.000 0.297 145 G C 0.986 175.930 174.900 0.074 0.000 1.310 145 G CA 0.290 45.446 45.100 0.092 0.000 1.027 145 G HN 1.284 nan 8.290 nan 0.000 0.505 146 A N -1.187 121.675 122.820 0.070 0.000 2.345 146 A HA 0.571 4.891 4.320 -0.000 0.000 0.225 146 A C 1.542 179.260 177.584 0.223 0.000 1.243 146 A CA 1.167 53.236 52.037 0.052 0.000 0.875 146 A CB -1.050 17.828 19.000 -0.204 0.000 0.929 146 A HN 2.438 nan 8.150 nan 0.000 0.502 147 G N -0.250 108.664 108.800 0.189 0.000 2.601 147 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.261 147 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.261 147 G C 0.375 175.419 174.900 0.238 0.000 1.289 147 G CA -0.004 45.209 45.100 0.189 0.000 0.920 147 G HN 1.221 nan 8.290 nan 0.000 0.571 148 S N -0.146 115.647 115.700 0.154 0.000 2.546 148 S HA 0.401 4.871 4.470 -0.000 0.000 0.290 148 S C 1.630 176.200 174.600 -0.050 0.000 1.290 148 S CA 0.949 59.201 58.200 0.086 0.000 1.069 148 S CB 0.371 63.605 63.200 0.057 0.000 0.846 148 S HN 2.087 nan 8.310 nan 0.000 0.495 149 S N 3.974 119.654 115.700 -0.034 0.000 2.539 149 S HA 0.289 4.759 4.470 -0.000 0.000 0.221 149 S C 1.707 176.240 174.600 -0.112 0.000 0.987 149 S CA 0.148 58.207 58.200 -0.235 0.000 0.929 149 S CB 0.063 63.316 63.200 0.088 0.000 0.832 149 S HN 0.816 nan 8.310 nan 0.000 0.492 150 A N 1.958 124.767 122.820 -0.018 0.000 1.892 150 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 150 A C 1.797 179.400 177.584 0.030 0.000 1.188 150 A CA 1.686 53.735 52.037 0.021 0.000 0.631 150 A CB -1.184 17.847 19.000 0.051 0.000 0.822 150 A HN 0.638 nan 8.150 nan 0.000 0.447 151 F N 1.151 121.052 119.950 -0.080 0.000 2.171 151 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 151 F C 2.521 178.294 175.800 -0.044 0.000 1.090 151 F CA 2.164 60.130 58.000 -0.056 0.000 1.293 151 F CB -0.336 38.637 39.000 -0.044 0.000 1.013 151 F HN 0.225 nan 8.300 nan 0.000 0.486 152 T N -0.765 113.769 114.554 -0.033 0.000 2.746 152 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 152 T C 1.845 176.472 174.700 -0.122 0.000 1.039 152 T CA 1.937 63.996 62.100 -0.068 0.000 1.142 152 T CB -0.639 68.227 68.868 -0.003 0.000 0.866 152 T HN 0.288 nan 8.240 nan 0.000 0.444 153 T N 1.999 116.497 114.554 -0.093 0.000 2.746 153 T HA -0.028 4.322 4.350 -0.000 0.000 0.267 153 T C 2.427 177.053 174.700 -0.124 0.000 1.039 153 T CA 1.148 63.205 62.100 -0.073 0.000 1.142 153 T CB -0.552 68.296 68.868 -0.033 0.000 0.866 153 T HN 0.448 nan 8.240 nan 0.000 0.444 154 A N 0.974 123.675 122.820 -0.199 0.000 1.902 154 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 154 A C 2.594 180.025 177.584 -0.256 0.000 1.181 154 A CA 1.420 53.313 52.037 -0.240 0.000 0.623 154 A CB -1.074 17.740 19.000 -0.311 0.000 0.818 154 A HN 0.350 nan 8.150 nan 0.000 0.443 155 V N -0.081 119.593 119.914 -0.400 0.000 2.295 155 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 155 V C 2.831 178.873 176.094 -0.087 0.000 1.049 155 V CA 2.072 64.221 62.300 -0.251 0.000 1.024 155 V CB -1.456 30.168 31.823 -0.333 0.000 0.648 155 V HN 0.625 nan 8.190 nan 0.000 0.447 156 G N -0.379 108.347 108.800 -0.123 0.000 2.440 156 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.218 156 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.218 156 G C 1.667 176.527 174.900 -0.066 0.000 1.154 156 G CA 1.257 46.302 45.100 -0.092 0.000 0.767 156 G HN 0.391 nan 8.290 nan 0.000 0.552 157 V N 0.381 120.267 119.914 -0.048 0.000 2.427 157 V HA -0.103 4.017 4.120 -0.000 0.000 0.248 157 V C 2.319 178.423 176.094 0.017 0.000 1.051 157 V CA 1.669 63.949 62.300 -0.033 0.000 1.048 157 V CB -0.598 31.204 31.823 -0.035 0.000 0.666 157 V HN 0.378 nan 8.190 nan 0.000 0.456 158 F N 1.470 121.346 119.950 -0.123 0.000 2.134 158 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 158 F C 2.426 178.179 175.800 -0.079 0.000 1.097 158 F CA 1.719 59.660 58.000 -0.099 0.000 1.264 158 F CB -0.277 38.654 39.000 -0.116 0.000 1.001 158 F HN 0.146 nan 8.300 nan 0.000 0.479 159 E N 0.598 120.682 120.200 -0.194 0.000 2.106 159 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 159 E C 2.439 178.913 176.600 -0.211 0.000 0.984 159 E CA 1.045 57.271 56.400 -0.290 0.000 0.806 159 E CB -0.770 28.831 29.700 -0.166 0.000 0.750 159 E HN 0.491 nan 8.360 nan 0.000 0.458 160 A N 1.665 124.400 122.820 -0.143 0.000 1.877 160 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 160 A C 2.255 179.789 177.584 -0.082 0.000 1.186 160 A CA 1.762 53.732 52.037 -0.111 0.000 0.620 160 A CB -0.599 18.336 19.000 -0.109 0.000 0.822 160 A HN 0.253 nan 8.150 nan 0.000 0.443 161 M N -0.489 119.053 119.600 -0.096 0.000 2.080 161 M HA -0.235 4.245 4.480 -0.000 0.000 0.260 161 M C 2.005 178.237 176.300 -0.112 0.000 1.068 161 M CA 2.242 57.498 55.300 -0.075 0.000 1.109 161 M CB -0.238 32.337 32.600 -0.041 0.000 1.342 161 M HN 0.379 nan 8.290 nan 0.000 0.405 162 K N 0.150 120.407 120.400 -0.239 0.000 2.057 162 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 162 K C 2.004 178.539 176.600 -0.109 0.000 1.049 162 K CA 1.557 57.706 56.287 -0.231 0.000 0.931 162 K CB -0.369 31.894 32.500 -0.395 0.000 0.714 162 K HN 0.467 nan 8.250 nan 0.000 0.440 163 A N 0.875 123.649 122.820 -0.076 0.000 1.930 163 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 163 A C 2.177 179.831 177.584 0.117 0.000 1.175 163 A CA 1.961 54.010 52.037 0.021 0.000 0.627 163 A CB -0.863 18.146 19.000 0.015 0.000 0.815 163 A HN 0.270 nan 8.150 nan 0.000 0.443 164 T N 0.098 114.718 114.554 0.110 0.000 2.777 164 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 164 T C 2.006 176.694 174.700 -0.020 0.000 1.040 164 T CA 1.853 64.000 62.100 0.078 0.000 1.141 164 T CB -0.814 68.111 68.868 0.096 0.000 0.868 164 T HN 0.603 nan 8.240 nan 0.000 0.444 165 V N 1.066 120.970 119.914 -0.017 0.000 2.407 165 V HA -0.008 4.112 4.120 -0.000 0.000 0.248 165 V C 2.693 178.770 176.094 -0.029 0.000 1.055 165 V CA 1.390 63.673 62.300 -0.027 0.000 1.049 165 V CB -1.613 30.195 31.823 -0.023 0.000 0.662 165 V HN 0.430 nan 8.190 nan 0.000 0.455 166 A N 0.260 123.072 122.820 -0.013 0.000 1.877 166 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 166 A C 2.191 179.763 177.584 -0.019 0.000 1.186 166 A CA 2.153 54.183 52.037 -0.011 0.000 0.620 166 A CB -1.148 17.853 19.000 0.002 0.000 0.822 166 A HN 0.803 nan 8.150 nan 0.000 0.443 167 H N -0.933 118.090 119.070 -0.079 0.000 2.456 167 H HA -0.054 4.502 4.556 0.000 0.000 0.296 167 H C 2.014 177.244 175.328 -0.164 0.000 1.079 167 H CA 1.679 57.658 56.048 -0.114 0.000 1.322 167 H CB 0.057 29.726 29.762 -0.155 0.000 1.388 167 H HN 0.328 nan 8.280 nan 0.000 0.538 168 R N 0.204 120.633 120.500 -0.118 0.000 2.307 168 R HA 0.080 4.420 4.340 -0.000 0.000 0.199 168 R C 1.022 177.250 176.300 -0.120 0.000 1.000 168 R CA 0.865 56.888 56.100 -0.129 0.000 1.023 168 R CB -0.266 29.978 30.300 -0.093 0.000 0.908 168 R HN 0.495 nan 8.270 nan 0.000 0.473 169 G N -0.204 108.526 108.800 -0.118 0.000 2.132 169 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.228 169 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.228 169 G C 0.346 175.210 174.900 -0.059 0.000 1.000 169 G CA 0.370 45.414 45.100 -0.093 0.000 0.693 169 G HN 0.341 nan 8.290 nan 0.000 0.515 170 L N -0.096 121.098 121.223 -0.048 0.000 2.640 170 L HA 0.518 4.858 4.340 -0.000 0.000 0.230 170 L C 1.843 178.698 176.870 -0.024 0.000 1.123 170 L CA 0.529 55.350 54.840 -0.031 0.000 0.900 170 L CB -0.117 41.928 42.059 -0.022 0.000 1.146 170 L HN 1.116 nan 8.230 nan 0.000 0.484 171 G N 0.654 109.437 108.800 -0.029 0.000 2.499 171 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.232 171 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.232 171 G C -0.080 174.809 174.900 -0.019 0.000 1.251 171 G CA -0.168 44.919 45.100 -0.021 0.000 0.917 171 G HN 0.389 nan 8.290 nan 0.000 0.580 172 S N -0.688 115.005 115.700 -0.012 0.000 2.669 172 S HA 0.657 5.127 4.470 -0.000 0.000 0.270 172 S C 1.582 176.182 174.600 -0.001 0.000 1.225 172 S CA 0.040 58.234 58.200 -0.011 0.000 0.991 172 S CB 1.542 64.743 63.200 0.000 0.000 0.987 172 S HN 1.067 nan 8.310 nan 0.000 0.552 173 L N 0.242 121.468 121.223 0.004 0.000 2.362 173 L HA 0.039 4.379 4.340 -0.000 0.000 0.219 173 L C 0.802 177.696 176.870 0.040 0.000 1.134 173 L CA 0.568 55.424 54.840 0.026 0.000 0.807 173 L CB -0.627 41.466 42.059 0.056 0.000 0.927 173 L HN 0.763 nan 8.230 nan 0.000 0.447 174 D N 0.507 120.931 120.400 0.039 0.000 2.479 174 D HA 0.173 4.813 4.640 -0.000 0.000 0.257 174 D C 1.188 177.507 176.300 0.031 0.000 1.230 174 D CA 1.293 55.317 54.000 0.040 0.000 0.912 174 D CB 0.404 41.226 40.800 0.037 0.000 1.130 174 D HN 0.312 nan 8.370 nan 0.000 0.515 175 G N 2.979 111.799 108.800 0.035 0.000 2.213 175 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.236 175 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.236 175 G C 0.442 175.357 174.900 0.026 0.000 0.991 175 G CA 0.159 45.276 45.100 0.028 0.000 0.629 175 G HN 0.537 nan 8.290 nan 0.000 0.517 176 L N 1.317 122.556 121.223 0.027 0.000 2.439 176 L HA 0.509 4.849 4.340 -0.000 0.000 0.261 176 L C 0.717 177.605 176.870 0.029 0.000 1.153 176 L CA -0.247 54.608 54.840 0.025 0.000 0.808 176 L CB 0.941 43.014 42.059 0.023 0.000 1.126 176 L HN 0.086 nan 8.230 nan 0.000 0.460 177 T N 1.645 116.216 114.554 0.029 0.000 2.771 177 T HA 0.409 4.759 4.350 -0.000 0.000 0.291 177 T C -0.258 174.465 174.700 0.038 0.000 0.954 177 T CA -0.317 61.803 62.100 0.032 0.000 1.045 177 T CB 1.214 70.100 68.868 0.031 0.000 0.917 177 T HN 0.201 nan 8.240 nan 0.000 0.484 178 V N 4.974 124.907 119.914 0.031 0.000 2.444 178 V HA 0.428 4.548 4.120 -0.000 0.000 0.294 178 V C -0.518 175.599 176.094 0.037 0.000 1.022 178 V CA -0.933 61.389 62.300 0.037 0.000 0.850 178 V CB 1.668 33.502 31.823 0.018 0.000 0.992 178 V HN 0.681 nan 8.190 nan 0.000 0.426 179 L N 7.336 128.614 121.223 0.091 0.000 2.262 179 L HA 0.596 4.936 4.340 -0.000 0.000 0.288 179 L C -0.413 176.514 176.870 0.095 0.000 1.035 179 L CA 0.214 55.127 54.840 0.123 0.000 0.820 179 L CB 1.350 43.543 42.059 0.223 0.000 1.204 179 L HN 0.429 nan 8.230 nan 0.000 0.424 180 V N 5.752 125.681 119.914 0.025 0.000 2.364 180 V HA 0.317 4.437 4.120 -0.000 0.000 0.272 180 V C 0.115 176.217 176.094 0.014 0.000 1.036 180 V CA -0.437 61.849 62.300 -0.024 0.000 0.880 180 V CB 1.101 32.890 31.823 -0.057 0.000 0.991 180 V HN 0.820 nan 8.190 nan 0.000 0.460 181 Q N 4.182 123.984 119.800 0.003 0.000 2.360 181 Q HA 0.564 4.904 4.340 -0.000 0.000 0.254 181 Q C 0.114 176.119 176.000 0.008 0.000 0.975 181 Q CA 0.185 56.024 55.803 0.059 0.000 0.912 181 Q CB 1.124 29.951 28.738 0.149 0.000 1.212 181 Q HN 1.097 nan 8.270 nan 0.000 0.452 182 G N 3.648 112.457 108.800 0.016 0.000 3.445 182 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 182 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 182 G C -0.589 174.308 174.900 -0.005 0.000 1.113 182 G CA -0.709 44.394 45.100 0.006 0.000 0.974 182 G HN 0.696 nan 8.290 nan 0.000 0.492 183 L N 2.885 124.110 121.223 0.002 0.000 3.084 183 L HA 0.451 4.791 4.340 -0.000 0.000 0.238 183 L C 1.606 178.477 176.870 0.002 0.000 1.327 183 L CA 0.068 54.905 54.840 -0.005 0.000 1.094 183 L CB 0.049 42.107 42.059 -0.001 0.000 1.477 183 L HN 0.725 nan 8.230 nan 0.000 0.514 184 G N -0.348 108.456 108.800 0.005 0.000 2.531 184 G HA2 0.364 4.324 3.960 -0.000 0.000 0.253 184 G HA3 0.364 4.324 3.960 -0.000 0.000 0.253 184 G C 1.124 176.034 174.900 0.017 0.000 1.439 184 G CA 0.319 45.428 45.100 0.016 0.000 1.056 184 G HN 0.261 nan 8.290 nan 0.000 0.555 185 A N -1.550 121.287 122.820 0.029 0.000 1.908 185 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 185 A C 2.450 180.053 177.584 0.032 0.000 1.181 185 A CA 2.373 54.433 52.037 0.038 0.000 0.627 185 A CB -0.665 18.364 19.000 0.048 0.000 0.818 185 A HN 0.439 nan 8.150 nan 0.000 0.445 186 V N -0.694 119.229 119.914 0.014 0.000 2.379 186 V HA -0.020 4.100 4.120 -0.000 0.000 0.243 186 V C 2.834 178.912 176.094 -0.027 0.000 1.035 186 V CA 1.545 63.840 62.300 -0.009 0.000 1.035 186 V CB -1.453 30.361 31.823 -0.014 0.000 0.673 186 V HN 0.568 nan 8.190 nan 0.000 0.457 187 G N 0.451 109.237 108.800 -0.024 0.000 2.440 187 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 187 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 187 G C 1.625 176.501 174.900 -0.041 0.000 1.154 187 G CA 1.089 46.167 45.100 -0.037 0.000 0.767 187 G HN 0.580 nan 8.290 nan 0.000 0.552 188 G N 0.477 109.261 108.800 -0.027 0.000 2.418 188 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 188 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 188 G C 2.130 177.013 174.900 -0.028 0.000 1.158 188 G CA 1.422 46.501 45.100 -0.035 0.000 0.771 188 G HN 0.431 nan 8.290 nan 0.000 0.545 189 S N 0.189 115.888 115.700 -0.002 0.000 2.383 189 S HA -0.062 4.408 4.470 -0.000 0.000 0.227 189 S C 2.142 176.692 174.600 -0.083 0.000 1.026 189 S CA 0.977 59.189 58.200 0.021 0.000 0.981 189 S CB -0.231 63.032 63.200 0.105 0.000 0.818 189 S HN 0.262 nan 8.310 nan 0.000 0.472 190 L N 2.111 123.272 121.223 -0.103 0.000 2.046 190 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 190 L C 2.310 179.108 176.870 -0.121 0.000 1.077 190 L CA 1.844 56.610 54.840 -0.123 0.000 0.747 190 L CB -0.969 41.047 42.059 -0.072 0.000 0.896 190 L HN 0.240 nan 8.230 nan 0.000 0.432 191 A N -1.485 121.273 122.820 -0.103 0.000 1.933 191 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 191 A C 2.369 179.883 177.584 -0.117 0.000 1.175 191 A CA 1.969 53.923 52.037 -0.138 0.000 0.628 191 A CB -0.839 18.065 19.000 -0.161 0.000 0.814 191 A HN 0.547 nan 8.150 nan 0.000 0.444 192 S N -0.212 115.444 115.700 -0.072 0.000 2.387 192 S HA -0.012 4.458 4.470 -0.000 0.000 0.226 192 S C 1.797 176.329 174.600 -0.113 0.000 1.026 192 S CA 1.187 59.367 58.200 -0.034 0.000 0.972 192 S CB -0.395 62.804 63.200 -0.002 0.000 0.814 192 S HN 0.510 nan 8.310 nan 0.000 0.477 193 L N 1.240 122.309 121.223 -0.257 0.000 2.046 193 L HA -0.134 4.205 4.340 -0.000 0.000 0.208 193 L C 2.801 179.385 176.870 -0.478 0.000 1.077 193 L CA 1.262 55.757 54.840 -0.575 0.000 0.747 193 L CB -0.687 40.670 42.059 -1.170 0.000 0.896 193 L HN 0.322 nan 8.230 nan 0.000 0.432 194 A N -0.019 122.669 122.820 -0.221 0.000 1.873 194 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 194 A C 2.543 180.151 177.584 0.040 0.000 1.186 194 A CA 1.670 53.740 52.037 0.056 0.000 0.616 194 A CB -0.763 18.272 19.000 0.059 0.000 0.823 194 A HN 0.387 nan 8.150 nan 0.000 0.442 195 A N -0.163 122.651 122.820 -0.010 0.000 1.908 195 A HA -0.220 4.099 4.320 -0.000 0.000 0.218 195 A C 2.056 179.677 177.584 0.062 0.000 1.181 195 A CA 1.877 53.947 52.037 0.054 0.000 0.627 195 A CB -0.593 18.498 19.000 0.153 0.000 0.818 195 A HN 0.703 nan 8.150 nan 0.000 0.445 196 E N -0.044 120.172 120.200 0.027 0.000 2.204 196 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 196 E C 1.685 178.325 176.600 0.067 0.000 0.990 196 E CA 0.868 57.287 56.400 0.032 0.000 0.821 196 E CB -0.208 29.490 29.700 -0.003 0.000 0.750 196 E HN 0.521 nan 8.360 nan 0.000 0.477 197 A N 0.003 122.886 122.820 0.105 0.000 2.238 197 A HA 0.273 4.593 4.320 -0.000 0.000 0.208 197 A C 1.642 179.293 177.584 0.112 0.000 1.177 197 A CA 0.851 52.987 52.037 0.164 0.000 0.804 197 A CB -0.268 18.926 19.000 0.323 0.000 0.823 197 A HN 0.487 nan 8.150 nan 0.000 0.482 198 G N -2.168 106.684 108.800 0.087 0.000 2.176 198 G HA2 0.108 4.068 3.960 -0.000 0.000 0.232 198 G HA3 0.108 4.068 3.960 -0.000 0.000 0.232 198 G C 0.465 175.403 174.900 0.064 0.000 0.986 198 G CA 0.211 45.353 45.100 0.069 0.000 0.643 198 G HN 1.518 nan 8.290 nan 0.000 0.522 199 A N -0.085 122.776 122.820 0.069 0.000 2.366 199 A HA 0.659 4.979 4.320 -0.000 0.000 0.249 199 A C 0.465 178.076 177.584 0.045 0.000 1.084 199 A CA 0.144 52.213 52.037 0.052 0.000 0.794 199 A CB 0.388 19.419 19.000 0.050 0.000 1.034 199 A HN 0.295 nan 8.150 nan 0.000 0.491 200 Q N 0.734 120.557 119.800 0.039 0.000 2.303 200 Q HA 0.441 4.780 4.340 -0.000 0.000 0.257 200 Q C -1.119 174.891 176.000 0.017 0.000 0.941 200 Q CA 0.079 55.910 55.803 0.048 0.000 0.931 200 Q CB 1.445 30.212 28.738 0.047 0.000 1.215 200 Q HN 0.610 nan 8.270 nan 0.000 0.437 201 L N 3.823 125.042 121.223 -0.007 0.000 2.295 201 L HA 0.499 4.839 4.340 -0.000 0.000 0.285 201 L C -0.260 176.596 176.870 -0.023 0.000 1.035 201 L CA -0.555 54.221 54.840 -0.106 0.000 0.806 201 L CB 1.003 42.762 42.059 -0.501 0.000 1.214 201 L HN 0.328 nan 8.230 nan 0.000 0.426 202 L N 4.621 125.839 121.223 -0.008 0.000 2.317 202 L HA 0.739 5.079 4.340 -0.000 0.000 0.281 202 L C -0.348 176.534 176.870 0.020 0.000 1.024 202 L CA -0.898 53.959 54.840 0.029 0.000 0.810 202 L CB 1.898 43.983 42.059 0.043 0.000 1.240 202 L HN 0.389 nan 8.230 nan 0.000 0.427 203 V N -0.159 119.778 119.914 0.038 0.000 3.049 203 V HA 1.026 5.146 4.120 -0.000 0.000 0.309 203 V C -0.783 175.340 176.094 0.048 0.000 1.148 203 V CA -0.610 61.710 62.300 0.033 0.000 0.990 203 V CB 1.828 33.668 31.823 0.028 0.000 1.039 203 V HN 0.887 nan 8.190 nan 0.000 0.430 204 A N 1.738 124.586 122.820 0.048 0.000 2.549 204 A HA 0.915 5.235 4.320 -0.000 0.000 0.297 204 A C -1.390 176.219 177.584 0.042 0.000 1.061 204 A CA -0.283 51.783 52.037 0.049 0.000 0.690 204 A CB 1.970 21.007 19.000 0.062 0.000 1.287 204 A HN 1.148 nan 8.150 nan 0.000 0.402 205 D N 0.135 120.557 120.400 0.037 0.000 2.706 205 D HA 0.275 4.915 4.640 -0.000 0.000 0.227 205 D C 0.843 177.161 176.300 0.029 0.000 1.233 205 D CA 0.529 54.548 54.000 0.032 0.000 0.768 205 D CB 1.991 42.809 40.800 0.031 0.000 1.490 205 D HN 0.576 nan 8.370 nan 0.000 0.458 206 T N -1.012 113.556 114.554 0.023 0.000 3.023 206 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 206 T C 0.661 175.375 174.700 0.022 0.000 1.093 206 T CA 0.396 62.507 62.100 0.018 0.000 1.129 206 T CB 0.083 68.957 68.868 0.010 0.000 0.899 206 T HN 0.206 nan 8.240 nan 0.000 0.491 207 D N 2.890 123.306 120.400 0.027 0.000 2.374 207 D HA 0.120 4.760 4.640 -0.000 0.000 0.240 207 D C 1.557 177.879 176.300 0.037 0.000 1.229 207 D CA 0.190 54.210 54.000 0.033 0.000 0.895 207 D CB 1.317 42.141 40.800 0.038 0.000 1.046 207 D HN 0.394 nan 8.370 nan 0.000 0.498 208 T N 0.674 115.248 114.554 0.033 0.000 2.803 208 T HA -0.213 4.137 4.350 -0.000 0.000 0.269 208 T C 1.487 176.213 174.700 0.044 0.000 1.052 208 T CA 1.131 63.252 62.100 0.035 0.000 1.136 208 T CB -0.057 68.827 68.868 0.026 0.000 0.864 208 T HN 0.510 nan 8.240 nan 0.000 0.467 209 E N 0.984 121.211 120.200 0.045 0.000 2.072 209 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 209 E C 2.511 179.166 176.600 0.091 0.000 0.985 209 E CA 0.739 57.172 56.400 0.054 0.000 0.801 209 E CB -0.019 29.706 29.700 0.042 0.000 0.750 209 E HN 0.524 nan 8.360 nan 0.000 0.452 210 R N -0.220 120.331 120.500 0.085 0.000 2.092 210 R HA -0.089 4.251 4.340 -0.000 0.000 0.231 210 R C 2.413 178.768 176.300 0.093 0.000 1.119 210 R CA 1.189 57.347 56.100 0.096 0.000 0.970 210 R CB -0.191 30.145 30.300 0.060 0.000 0.864 210 R HN 0.078 nan 8.270 nan 0.000 0.440 211 V N 0.807 120.766 119.914 0.074 0.000 2.358 211 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 211 V C 2.337 178.483 176.094 0.087 0.000 1.047 211 V CA 1.922 64.265 62.300 0.072 0.000 1.035 211 V CB -0.663 31.194 31.823 0.055 0.000 0.658 211 V HN 0.425 nan 8.190 nan 0.000 0.452 212 A N -0.899 121.973 122.820 0.087 0.000 1.902 212 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 212 A C 2.145 179.803 177.584 0.125 0.000 1.181 212 A CA 2.200 54.285 52.037 0.080 0.000 0.623 212 A CB -0.931 18.100 19.000 0.053 0.000 0.818 212 A HN 0.751 nan 8.150 nan 0.000 0.443 213 H N -0.675 118.406 119.070 0.018 0.000 2.321 213 H HA -0.046 4.510 4.556 -0.000 0.000 0.300 213 H C 2.334 177.673 175.328 0.017 0.000 1.087 213 H CA 1.116 57.172 56.048 0.014 0.000 1.319 213 H CB -0.028 29.747 29.762 0.021 0.000 1.379 213 H HN 0.463 nan 8.280 nan 0.000 0.501 214 A N 0.311 123.212 122.820 0.135 0.000 1.908 214 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 214 A C 2.619 180.238 177.584 0.058 0.000 1.181 214 A CA 1.704 53.806 52.037 0.108 0.000 0.627 214 A CB -0.874 18.221 19.000 0.157 0.000 0.818 214 A HN 0.340 nan 8.150 nan 0.000 0.445 215 V N -0.213 119.746 119.914 0.075 0.000 2.343 215 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 215 V C 3.017 179.110 176.094 -0.003 0.000 1.051 215 V CA 1.854 64.177 62.300 0.039 0.000 1.036 215 V CB -1.230 30.622 31.823 0.049 0.000 0.654 215 V HN 0.617 nan 8.190 nan 0.000 0.451 216 A N -0.420 122.417 122.820 0.028 0.000 2.024 216 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 216 A C 2.042 179.609 177.584 -0.029 0.000 1.164 216 A CA 1.468 53.512 52.037 0.013 0.000 0.643 216 A CB -0.493 18.533 19.000 0.044 0.000 0.806 216 A HN 0.554 nan 8.150 nan 0.000 0.451 217 L N -1.560 119.610 121.223 -0.088 0.000 2.591 217 L HA 0.224 4.564 4.340 -0.000 0.000 0.228 217 L C 1.610 178.219 176.870 -0.435 0.000 1.133 217 L CA 0.521 55.221 54.840 -0.233 0.000 0.880 217 L CB -0.084 41.807 42.059 -0.281 0.000 1.033 217 L HN 0.571 nan 8.230 nan 0.000 0.450 218 G N -1.277 107.341 108.800 -0.302 0.000 2.176 218 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.232 218 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.232 218 G C 0.196 175.022 174.900 -0.124 0.000 0.986 218 G CA -0.413 44.563 45.100 -0.206 0.000 0.643 218 G HN 0.337 nan 8.290 nan 0.000 0.522 219 H N 0.473 119.557 119.070 0.022 0.000 2.505 219 H HA 0.664 5.220 4.556 -0.000 0.000 0.358 219 H C 0.206 175.548 175.328 0.023 0.000 1.304 219 H CA 0.514 56.574 56.048 0.020 0.000 1.393 219 H CB 0.690 30.460 29.762 0.013 0.000 1.591 219 H HN 0.118 nan 8.280 nan 0.000 0.595 220 T N 0.732 115.387 114.554 0.168 0.000 2.797 220 T HA 0.554 4.904 4.350 -0.000 0.000 0.279 220 T C 0.199 174.947 174.700 0.080 0.000 0.991 220 T CA -0.759 61.398 62.100 0.096 0.000 0.979 220 T CB 1.298 70.208 68.868 0.071 0.000 0.943 220 T HN 0.704 nan 8.240 nan 0.000 0.444 221 A N 2.888 125.747 122.820 0.065 0.000 2.371 221 A HA 0.645 4.965 4.320 -0.000 0.000 0.257 221 A C -0.179 177.431 177.584 0.043 0.000 1.089 221 A CA -0.411 51.658 52.037 0.055 0.000 0.794 221 A CB 0.296 19.324 19.000 0.047 0.000 1.029 221 A HN 0.683 nan 8.150 nan 0.000 0.488 222 V N 1.470 121.409 119.914 0.042 0.000 2.588 222 V HA 0.582 4.702 4.120 -0.000 0.000 0.304 222 V C 0.617 176.729 176.094 0.030 0.000 1.042 222 V CA -0.420 61.901 62.300 0.034 0.000 0.877 222 V CB 1.412 33.258 31.823 0.038 0.000 0.996 222 V HN 1.244 nan 8.190 nan 0.000 0.425 223 A N 4.060 126.893 122.820 0.022 0.000 2.425 223 A HA 0.508 4.828 4.320 -0.000 0.000 0.249 223 A C 1.208 178.802 177.584 0.018 0.000 1.084 223 A CA -0.228 51.820 52.037 0.018 0.000 0.781 223 A CB 0.144 19.151 19.000 0.012 0.000 1.019 223 A HN 0.936 nan 8.150 nan 0.000 0.490 224 L N 1.225 122.460 121.223 0.019 0.000 2.021 224 L HA -0.271 4.069 4.340 -0.000 0.000 0.215 224 L C 2.668 179.544 176.870 0.010 0.000 1.074 224 L CA 2.225 57.077 54.840 0.020 0.000 0.760 224 L CB -0.515 41.554 42.059 0.017 0.000 0.889 224 L HN 1.008 nan 8.230 nan 0.000 0.433 225 E N -0.195 120.007 120.200 0.004 0.000 2.333 225 E HA -0.238 4.111 4.350 -0.000 0.000 0.198 225 E C 0.653 177.246 176.600 -0.011 0.000 1.007 225 E CA 1.478 57.876 56.400 -0.004 0.000 0.845 225 E CB -0.095 29.603 29.700 -0.004 0.000 0.766 225 E HN 0.545 nan 8.360 nan 0.000 0.507 226 D N 0.386 120.781 120.400 -0.008 0.000 2.398 226 D HA 0.049 4.689 4.640 -0.000 0.000 0.210 226 D C 1.872 178.154 176.300 -0.029 0.000 1.094 226 D CA 0.048 54.037 54.000 -0.017 0.000 0.839 226 D CB 0.709 41.504 40.800 -0.008 0.000 0.963 226 D HN 0.049 nan 8.370 nan 0.000 0.506 227 V N 1.215 121.117 119.914 -0.020 0.000 2.252 227 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 227 V C 2.366 178.380 176.094 -0.134 0.000 1.056 227 V CA 1.436 63.720 62.300 -0.027 0.000 1.022 227 V CB -0.432 31.413 31.823 0.037 0.000 0.641 227 V HN 0.268 nan 8.190 nan 0.000 0.445 228 L N 0.223 121.355 121.223 -0.152 0.000 2.610 228 L HA 0.004 4.344 4.340 -0.000 0.000 0.232 228 L C 1.739 178.495 176.870 -0.191 0.000 1.149 228 L CA 0.797 55.491 54.840 -0.244 0.000 0.872 228 L CB -0.329 41.617 42.059 -0.188 0.000 0.992 228 L HN 0.363 nan 8.230 nan 0.000 0.447 229 S N -2.533 113.092 115.700 -0.125 0.000 2.559 229 S HA 0.089 4.559 4.470 -0.000 0.000 0.226 229 S C 0.741 175.297 174.600 -0.073 0.000 1.000 229 S CA -0.312 57.835 58.200 -0.089 0.000 0.948 229 S CB 0.263 63.428 63.200 -0.058 0.000 0.870 229 S HN 0.183 nan 8.310 nan 0.000 0.497 230 T N 5.421 119.926 114.554 -0.080 0.000 2.761 230 T HA 0.341 4.691 4.350 -0.000 0.000 0.296 230 T C -2.653 172.021 174.700 -0.043 0.000 0.934 230 T CA -1.130 60.943 62.100 -0.045 0.000 1.091 230 T CB 0.707 69.562 68.868 -0.021 0.000 0.896 230 T HN 0.042 nan 8.240 nan 0.000 0.515 231 P HA 0.374 nan 4.420 nan 0.000 0.271 231 P C -0.486 176.817 177.300 0.004 0.000 1.216 231 P CA -0.473 62.617 63.100 -0.016 0.000 0.776 231 P CB 0.229 31.923 31.700 -0.010 0.000 0.881 232 C N 0.327 119.636 119.300 0.015 0.000 3.306 232 C HA 0.406 4.866 4.460 -0.000 0.000 0.335 232 C C 0.889 175.903 174.990 0.041 0.000 1.382 232 C CA -0.603 58.438 59.018 0.038 0.000 1.254 232 C CB 1.293 29.075 27.740 0.070 0.000 1.555 232 C HN 0.446 nan 8.230 nan 0.000 0.463 233 D N 0.163 120.590 120.400 0.044 0.000 2.201 233 D HA 0.101 4.741 4.640 -0.000 0.000 0.209 233 D C 0.322 176.658 176.300 0.060 0.000 0.961 233 D CA 1.614 55.637 54.000 0.039 0.000 0.861 233 D CB 0.462 41.279 40.800 0.028 0.000 0.997 233 D HN 0.461 nan 8.370 nan 0.000 0.486 234 V N 1.678 121.639 119.914 0.078 0.000 2.487 234 V HA 0.254 4.374 4.120 -0.000 0.000 0.298 234 V C -0.794 175.405 176.094 0.175 0.000 1.028 234 V CA -0.924 61.437 62.300 0.102 0.000 0.860 234 V CB 2.087 33.946 31.823 0.059 0.000 0.991 234 V HN -0.057 nan 8.190 nan 0.000 0.427 235 F N 4.674 124.641 119.950 0.029 0.000 2.411 235 F HA 0.783 5.310 4.527 -0.000 0.000 0.352 235 F C 0.221 176.046 175.800 0.041 0.000 1.123 235 F CA -1.318 56.699 58.000 0.029 0.000 1.044 235 F CB 1.233 40.251 39.000 0.029 0.000 1.135 235 F HN 0.531 nan 8.300 nan 0.000 0.461 236 A N 8.626 131.151 122.820 -0.492 0.000 2.644 236 A HA 0.535 4.855 4.320 -0.000 0.000 0.343 236 A C -2.848 174.359 177.584 -0.629 0.000 1.324 236 A CA -1.595 50.168 52.037 -0.457 0.000 0.846 236 A CB -0.321 18.572 19.000 -0.179 0.000 1.128 236 A HN 0.475 nan 8.150 nan 0.000 0.484 237 P HA 0.221 nan 4.420 nan 0.000 0.276 237 P C -0.062 177.113 177.300 -0.207 0.000 1.264 237 P CA 0.068 62.863 63.100 -0.508 0.000 0.769 237 P CB 0.632 32.103 31.700 -0.382 0.000 0.840 238 C N 3.407 122.631 119.300 -0.126 0.000 3.101 238 C HA 0.558 5.018 4.460 -0.000 0.000 0.253 238 C C 1.354 176.328 174.990 -0.026 0.000 1.754 238 C CA 0.268 59.247 59.018 -0.065 0.000 1.756 238 C CB -0.745 26.957 27.740 -0.064 0.000 3.227 238 C HN 0.592 nan 8.230 nan 0.000 0.483 239 A N 1.303 124.115 122.820 -0.013 0.000 3.044 239 A HA 0.819 5.138 4.320 -0.000 0.000 0.200 239 A C 0.430 178.022 177.584 0.012 0.000 1.557 239 A CA -0.009 52.031 52.037 0.005 0.000 1.647 239 A CB -0.198 18.811 19.000 0.016 0.000 1.580 239 A HN 0.303 nan 8.150 nan 0.000 0.503 240 M N 0.519 120.129 119.600 0.018 0.000 2.227 240 M HA 0.570 5.050 4.480 -0.000 0.000 0.316 240 M C 0.383 176.704 176.300 0.035 0.000 1.144 240 M CA -0.031 55.281 55.300 0.020 0.000 1.121 240 M CB -0.693 31.911 32.600 0.007 0.000 1.440 240 M HN 0.564 nan 8.290 nan 0.000 0.473 241 G N -0.454 108.370 108.800 0.040 0.000 2.543 241 G HA2 0.483 4.443 3.960 -0.000 0.000 0.290 241 G HA3 0.483 4.443 3.960 -0.000 0.000 0.290 241 G C 0.592 175.523 174.900 0.051 0.000 1.310 241 G CA -0.379 44.754 45.100 0.054 0.000 1.025 241 G HN 1.663 nan 8.290 nan 0.000 0.502 242 G N -2.287 106.546 108.800 0.055 0.000 2.203 242 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.263 242 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.263 242 G C 1.133 176.060 174.900 0.045 0.000 1.012 242 G CA 1.345 46.472 45.100 0.045 0.000 0.749 242 G HN 1.745 nan 8.290 nan 0.000 0.512 243 V N -2.230 117.725 119.914 0.068 0.000 2.488 243 V HA 0.303 4.423 4.120 -0.000 0.000 0.246 243 V C 1.683 177.819 176.094 0.070 0.000 1.046 243 V CA 1.404 63.758 62.300 0.089 0.000 1.053 243 V CB -0.181 31.744 31.823 0.170 0.000 0.679 243 V HN 0.449 nan 8.190 nan 0.000 0.458 244 I N 3.646 124.252 120.570 0.060 0.000 2.256 244 I HA 0.240 4.410 4.170 -0.000 0.000 0.294 244 I C 0.823 176.935 176.117 -0.008 0.000 1.127 244 I CA -0.017 61.295 61.300 0.019 0.000 1.247 244 I CB 0.361 38.361 38.000 0.000 0.000 1.460 244 I HN 0.395 nan 8.210 nan 0.000 0.511 245 T N 0.089 114.640 114.554 -0.005 0.000 2.824 245 T HA 0.152 4.502 4.350 -0.000 0.000 0.277 245 T C 1.325 176.016 174.700 -0.013 0.000 0.975 245 T CA -0.524 61.572 62.100 -0.007 0.000 0.966 245 T CB 1.298 70.164 68.868 -0.004 0.000 1.054 245 T HN 0.410 nan 8.240 nan 0.000 0.533 246 T N 0.752 115.302 114.554 -0.008 0.000 2.720 246 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 246 T C 1.850 176.542 174.700 -0.012 0.000 1.037 246 T CA 2.010 64.106 62.100 -0.008 0.000 1.144 246 T CB -0.501 68.366 68.868 -0.001 0.000 0.864 246 T HN 0.748 nan 8.240 nan 0.000 0.444 247 E N 0.368 120.561 120.200 -0.013 0.000 2.051 247 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 247 E C 2.325 178.909 176.600 -0.027 0.000 0.991 247 E CA 0.752 57.141 56.400 -0.017 0.000 0.799 247 E CB -0.444 29.247 29.700 -0.016 0.000 0.748 247 E HN 0.214 nan 8.360 nan 0.000 0.449 248 V N 0.974 120.869 119.914 -0.032 0.000 2.407 248 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 248 V C 2.190 178.253 176.094 -0.052 0.000 1.055 248 V CA 1.720 63.989 62.300 -0.051 0.000 1.049 248 V CB -0.759 31.032 31.823 -0.053 0.000 0.662 248 V HN 0.362 nan 8.190 nan 0.000 0.455 249 A N -0.222 122.577 122.820 -0.036 0.000 1.972 249 A HA -0.217 4.102 4.320 -0.000 0.000 0.219 249 A C 2.363 179.932 177.584 -0.024 0.000 1.169 249 A CA 1.604 53.623 52.037 -0.029 0.000 0.635 249 A CB -0.462 18.524 19.000 -0.022 0.000 0.810 249 A HN 0.513 nan 8.150 nan 0.000 0.446 250 R N -0.882 119.604 120.500 -0.023 0.000 2.148 250 R HA -0.053 4.287 4.340 -0.000 0.000 0.223 250 R C 1.759 178.043 176.300 -0.027 0.000 1.088 250 R CA 1.607 57.695 56.100 -0.020 0.000 0.985 250 R CB -0.191 30.099 30.300 -0.017 0.000 0.880 250 R HN 0.733 nan 8.270 nan 0.000 0.451 251 T N -2.449 112.081 114.554 -0.039 0.000 3.010 251 T HA 0.147 4.497 4.350 -0.000 0.000 0.257 251 T C 0.545 175.208 174.700 -0.063 0.000 1.020 251 T CA -0.457 61.615 62.100 -0.046 0.000 0.938 251 T CB 0.130 68.970 68.868 -0.047 0.000 1.049 251 T HN -0.102 nan 8.240 nan 0.000 0.522 252 L N 3.350 124.528 121.223 -0.075 0.000 2.601 252 L HA 0.238 4.578 4.340 -0.000 0.000 0.277 252 L C 0.061 176.889 176.870 -0.071 0.000 1.219 252 L CA 0.530 55.306 54.840 -0.107 0.000 0.915 252 L CB 0.225 42.223 42.059 -0.102 0.000 1.160 252 L HN 0.138 nan 8.230 nan 0.000 0.494 253 D N 4.523 124.875 120.400 -0.079 0.000 2.622 253 D HA 0.288 4.928 4.640 -0.000 0.000 0.262 253 D C -0.835 175.448 176.300 -0.027 0.000 1.189 253 D CA -0.177 53.795 54.000 -0.045 0.000 0.985 253 D CB -0.036 40.737 40.800 -0.045 0.000 0.994 253 D HN 0.605 nan 8.370 nan 0.000 0.513 254 C N -1.204 118.093 119.300 -0.006 0.000 3.323 254 C HA 0.683 5.143 4.460 -0.000 0.000 0.324 254 C C 1.344 176.354 174.990 0.033 0.000 1.428 254 C CA -0.627 58.408 59.018 0.028 0.000 1.368 254 C CB 1.619 29.404 27.740 0.075 0.000 1.731 254 C HN 0.150 nan 8.230 nan 0.000 0.455 255 S N -0.443 115.279 115.700 0.038 0.000 2.497 255 S HA 0.304 4.774 4.470 -0.000 0.000 0.218 255 S C 0.293 174.914 174.600 0.036 0.000 1.023 255 S CA 0.280 58.494 58.200 0.024 0.000 0.913 255 S CB 0.148 63.352 63.200 0.007 0.000 0.800 255 S HN 0.711 nan 8.310 nan 0.000 0.505 256 V N 1.533 121.486 119.914 0.065 0.000 2.925 256 V HA 0.528 4.648 4.120 -0.000 0.000 0.311 256 V C -1.124 175.057 176.094 0.146 0.000 1.104 256 V CA -0.686 61.662 62.300 0.080 0.000 0.954 256 V CB 2.264 34.113 31.823 0.043 0.000 1.022 256 V HN -0.028 nan 8.190 nan 0.000 0.427 257 V N 2.850 122.877 119.914 0.189 0.000 2.407 257 V HA 0.888 5.008 4.120 -0.000 0.000 0.291 257 V C -0.091 176.109 176.094 0.176 0.000 1.018 257 V CA -0.278 62.169 62.300 0.245 0.000 0.842 257 V CB 1.479 33.525 31.823 0.371 0.000 0.996 257 V HN 1.072 nan 8.190 nan 0.000 0.426 258 A N 3.750 126.601 122.820 0.052 0.000 2.547 258 A HA 0.893 5.213 4.320 -0.000 0.000 0.279 258 A C -0.161 177.383 177.584 -0.067 0.000 1.088 258 A CA 0.197 52.229 52.037 -0.009 0.000 0.796 258 A CB 1.314 20.306 19.000 -0.013 0.000 1.308 258 A HN 1.152 nan 8.150 nan 0.000 0.415 259 G N -0.392 108.364 108.800 -0.072 0.000 2.921 259 G HA2 0.700 4.660 3.960 -0.000 0.000 0.291 259 G HA3 0.700 4.660 3.960 -0.000 0.000 0.291 259 G C 0.474 175.336 174.900 -0.063 0.000 1.370 259 G CA 0.224 45.260 45.100 -0.106 0.000 0.847 259 G HN 1.438 nan 8.290 nan 0.000 0.532 260 A N -1.060 121.724 122.820 -0.060 0.000 2.147 260 A HA 0.684 5.003 4.320 -0.000 0.000 0.211 260 A C 1.580 179.163 177.584 -0.002 0.000 1.160 260 A CA 1.295 53.314 52.037 -0.029 0.000 0.781 260 A CB -0.551 18.432 19.000 -0.029 0.000 0.842 260 A HN 1.805 nan 8.150 nan 0.000 0.475 261 A N 1.012 123.829 122.820 -0.005 0.000 2.531 261 A HA 0.359 4.679 4.320 -0.000 0.000 0.236 261 A C 0.040 177.661 177.584 0.061 0.000 1.062 261 A CA -0.239 51.813 52.037 0.025 0.000 0.760 261 A CB -0.082 18.928 19.000 0.018 0.000 0.995 261 A HN 0.431 nan 8.150 nan 0.000 0.501 262 N N 1.351 120.096 118.700 0.075 0.000 2.513 262 N HA 0.131 4.871 4.740 -0.000 0.000 0.274 262 N C -0.161 175.414 175.510 0.108 0.000 1.189 262 N CA 0.040 53.152 53.050 0.103 0.000 0.975 262 N CB 0.439 38.988 38.487 0.103 0.000 1.157 262 N HN 0.595 nan 8.380 nan 0.000 0.465 263 N N 0.074 118.857 118.700 0.138 0.000 2.688 263 N HA -0.149 4.591 4.740 -0.000 0.000 0.258 263 N C 0.942 176.517 175.510 0.108 0.000 1.016 263 N CA 0.208 53.338 53.050 0.133 0.000 0.747 263 N CB -1.178 37.373 38.487 0.107 0.000 0.895 263 N HN 0.289 nan 8.380 nan 0.000 0.543 264 V N -0.401 119.588 119.914 0.125 0.000 2.295 264 V HA -0.158 3.961 4.120 -0.000 0.000 0.246 264 V C 1.452 177.563 176.094 0.028 0.000 1.049 264 V CA 1.118 63.471 62.300 0.089 0.000 1.024 264 V CB -0.092 31.818 31.823 0.145 0.000 0.648 264 V HN 0.436 nan 8.190 nan 0.000 0.447 265 I N 0.854 121.418 120.570 -0.009 0.000 2.379 265 I HA 0.201 4.370 4.170 -0.000 0.000 0.290 265 I C 1.300 177.419 176.117 0.003 0.000 1.063 265 I CA 0.295 61.555 61.300 -0.066 0.000 1.351 265 I CB 0.320 38.246 38.000 -0.124 0.000 1.410 265 I HN 0.133 nan 8.210 nan 0.000 0.505 266 A N 5.943 128.764 122.820 0.003 0.000 1.970 266 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 266 A C 0.435 178.032 177.584 0.021 0.000 1.170 266 A CA 0.889 52.938 52.037 0.020 0.000 0.645 266 A CB -0.314 18.697 19.000 0.018 0.000 0.816 266 A HN 0.810 nan 8.150 nan 0.000 0.447 267 D N -3.215 117.192 120.400 0.012 0.000 2.645 267 D HA 0.360 5.000 4.640 -0.000 0.000 0.228 267 D C 0.265 176.576 176.300 0.018 0.000 1.148 267 D CA -0.339 53.672 54.000 0.018 0.000 0.860 267 D CB 0.985 41.794 40.800 0.015 0.000 1.548 267 D HN 0.096 nan 8.370 nan 0.000 0.460 268 E N 1.012 121.229 120.200 0.029 0.000 2.160 268 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 268 E C 1.792 178.408 176.600 0.028 0.000 0.991 268 E CA 1.292 57.712 56.400 0.034 0.000 0.810 268 E CB -0.159 29.566 29.700 0.040 0.000 0.742 268 E HN 0.560 nan 8.360 nan 0.000 0.466 269 A N 1.183 124.017 122.820 0.023 0.000 1.940 269 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 269 A C 2.414 180.008 177.584 0.017 0.000 1.176 269 A CA 1.758 53.809 52.037 0.022 0.000 0.631 269 A CB -0.788 18.222 19.000 0.017 0.000 0.814 269 A HN 0.442 nan 8.150 nan 0.000 0.446 270 A N -0.669 122.153 122.820 0.003 0.000 1.933 270 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 270 A C 2.475 180.046 177.584 -0.021 0.000 1.175 270 A CA 2.184 54.212 52.037 -0.016 0.000 0.628 270 A CB -0.955 18.025 19.000 -0.034 0.000 0.814 270 A HN 0.630 nan 8.150 nan 0.000 0.444 271 S N -0.134 115.557 115.700 -0.016 0.000 2.356 271 S HA -0.207 4.263 4.470 -0.000 0.000 0.223 271 S C 1.679 176.322 174.600 0.071 0.000 1.032 271 S CA 1.791 59.994 58.200 0.004 0.000 1.005 271 S CB -0.541 62.679 63.200 0.034 0.000 0.867 271 S HN 0.576 nan 8.310 nan 0.000 0.449 272 D N 1.140 121.583 120.400 0.072 0.000 2.117 272 D HA -0.045 4.595 4.640 -0.000 0.000 0.197 272 D C 1.941 178.311 176.300 0.117 0.000 0.987 272 D CA 1.221 55.287 54.000 0.110 0.000 0.829 272 D CB -0.415 40.431 40.800 0.078 0.000 0.961 272 D HN 0.479 nan 8.370 nan 0.000 0.460 273 I N 0.686 121.295 120.570 0.066 0.000 2.179 273 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 273 I C 2.497 178.644 176.117 0.051 0.000 1.088 273 I CA 0.688 62.014 61.300 0.044 0.000 1.357 273 I CB -0.208 37.803 38.000 0.019 0.000 1.051 273 I HN -0.037 nan 8.210 nan 0.000 0.409 274 L N -0.124 121.134 121.223 0.057 0.000 2.042 274 L HA -0.293 4.047 4.340 -0.000 0.000 0.210 274 L C 2.773 179.715 176.870 0.120 0.000 1.076 274 L CA 1.699 56.582 54.840 0.071 0.000 0.749 274 L CB -1.014 41.087 42.059 0.070 0.000 0.893 274 L HN 0.353 nan 8.230 nan 0.000 0.432 275 H N 0.197 119.298 119.070 0.052 0.000 2.319 275 H HA -0.147 4.409 4.556 0.000 0.000 0.299 275 H C 2.109 177.460 175.328 0.038 0.000 1.092 275 H CA 1.684 57.768 56.048 0.059 0.000 1.302 275 H CB 0.008 29.813 29.762 0.073 0.000 1.373 275 H HN 0.280 nan 8.280 nan 0.000 0.497 276 A N 0.629 123.432 122.820 -0.028 0.000 1.969 276 A HA -0.092 4.227 4.320 -0.000 0.000 0.218 276 A C 2.317 179.852 177.584 -0.082 0.000 1.169 276 A CA 1.339 53.314 52.037 -0.102 0.000 0.635 276 A CB -0.298 18.692 19.000 -0.017 0.000 0.810 276 A HN 0.485 nan 8.150 nan 0.000 0.445 277 R N -1.388 119.089 120.500 -0.037 0.000 2.307 277 R HA 0.148 4.488 4.340 -0.000 0.000 0.199 277 R C 1.221 177.500 176.300 -0.036 0.000 1.000 277 R CA 0.536 56.618 56.100 -0.028 0.000 1.023 277 R CB -0.121 30.173 30.300 -0.010 0.000 0.908 277 R HN 0.685 nan 8.270 nan 0.000 0.473 278 G N 1.422 110.191 108.800 -0.053 0.000 2.136 278 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 278 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 278 G C 0.100 174.994 174.900 -0.009 0.000 0.989 278 G CA -0.302 44.770 45.100 -0.047 0.000 0.682 278 G HN 0.244 nan 8.290 nan 0.000 0.522 279 I N 0.950 121.534 120.570 0.024 0.000 2.297 279 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 279 I C 0.389 176.560 176.117 0.090 0.000 1.033 279 I CA -0.939 60.392 61.300 0.051 0.000 1.253 279 I CB 1.192 39.229 38.000 0.062 0.000 1.396 279 I HN 0.052 nan 8.210 nan 0.000 0.476 280 L N 9.202 130.455 121.223 0.050 0.000 2.385 280 L HA 0.155 4.495 4.340 -0.000 0.000 0.281 280 L C -0.766 176.183 176.870 0.131 0.000 1.106 280 L CA 0.150 55.004 54.840 0.023 0.000 0.856 280 L CB -0.011 41.945 42.059 -0.171 0.000 1.186 280 L HN 0.402 nan 8.230 nan 0.000 0.453 281 Y N 4.976 125.331 120.300 0.092 0.000 2.328 281 Y HA 0.664 5.214 4.550 -0.000 0.000 0.337 281 Y C -0.035 175.979 175.900 0.190 0.000 1.008 281 Y CA -0.995 57.176 58.100 0.118 0.000 1.129 281 Y CB 1.180 39.703 38.460 0.104 0.000 1.185 281 Y HN 0.757 nan 8.280 nan 0.000 0.476 282 A N 8.751 131.378 122.820 -0.321 0.000 2.279 282 A HA 0.466 4.786 4.320 -0.000 0.000 0.306 282 A C -2.723 174.258 177.584 -1.005 0.000 1.300 282 A CA -1.949 49.854 52.037 -0.390 0.000 0.925 282 A CB -0.284 18.628 19.000 -0.147 0.000 1.152 282 A HN 0.642 nan 8.150 nan 0.000 0.544 283 P HA -0.022 nan 4.420 nan 0.000 0.261 283 P C 0.169 177.088 177.300 -0.636 0.000 1.183 283 P CA 0.330 62.836 63.100 -0.989 0.000 0.761 283 P CB 0.711 31.904 31.700 -0.844 0.000 0.785 284 D N 4.502 124.751 120.400 -0.251 0.000 2.154 284 D HA -0.301 4.339 4.640 -0.000 0.000 0.190 284 D C 1.427 177.686 176.300 -0.068 0.000 1.003 284 D CA 1.840 55.814 54.000 -0.044 0.000 0.849 284 D CB -1.587 39.309 40.800 0.160 0.000 0.942 284 D HN 0.502 nan 8.370 nan 0.000 0.446 285 F N -0.045 119.909 119.950 0.007 0.000 2.408 285 F HA 0.032 4.559 4.527 -0.000 0.000 0.300 285 F C 1.789 177.571 175.800 -0.031 0.000 1.090 285 F CA 0.437 58.440 58.000 0.004 0.000 1.427 285 F CB -0.614 38.401 39.000 0.025 0.000 1.070 285 F HN -0.028 nan 8.300 nan 0.000 0.549 286 V N 0.593 120.211 119.914 -0.494 0.000 2.521 286 V HA 0.102 4.222 4.120 -0.000 0.000 0.239 286 V C 2.797 178.760 176.094 -0.218 0.000 1.053 286 V CA 1.157 63.251 62.300 -0.342 0.000 1.073 286 V CB -0.845 30.664 31.823 -0.523 0.000 0.746 286 V HN 0.430 nan 8.190 nan 0.000 0.476 287 A N 1.980 124.649 122.820 -0.253 0.000 1.933 287 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 287 A C 1.795 179.320 177.584 -0.098 0.000 1.175 287 A CA 2.123 54.056 52.037 -0.173 0.000 0.628 287 A CB -0.669 18.222 19.000 -0.181 0.000 0.814 287 A HN 0.755 nan 8.150 nan 0.000 0.444 288 N N -0.400 118.264 118.700 -0.061 0.000 2.268 288 N HA 0.324 5.064 4.740 -0.000 0.000 0.204 288 N C 0.938 176.452 175.510 0.007 0.000 1.124 288 N CA 0.790 53.828 53.050 -0.020 0.000 0.838 288 N CB -0.360 38.131 38.487 0.007 0.000 0.994 288 N HN 0.238 nan 8.380 nan 0.000 0.489 289 A N 0.104 122.927 122.820 0.005 0.000 2.225 289 A HA 0.125 4.445 4.320 -0.000 0.000 0.215 289 A C 2.129 179.734 177.584 0.036 0.000 1.164 289 A CA 1.030 53.088 52.037 0.034 0.000 0.710 289 A CB -1.253 17.769 19.000 0.036 0.000 0.780 289 A HN 0.428 nan 8.150 nan 0.000 0.473 290 G N -0.050 108.757 108.800 0.012 0.000 2.442 290 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.219 290 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.219 290 G C 1.475 176.416 174.900 0.068 0.000 1.141 290 G CA 1.181 46.295 45.100 0.022 0.000 0.763 290 G HN 0.643 nan 8.290 nan 0.000 0.554 291 G N 1.051 109.887 108.800 0.060 0.000 2.421 291 G HA2 0.045 4.005 3.960 -0.000 0.000 0.216 291 G HA3 0.045 4.005 3.960 -0.000 0.000 0.216 291 G C 2.054 177.022 174.900 0.113 0.000 1.171 291 G CA 1.512 46.669 45.100 0.096 0.000 0.775 291 G HN 0.638 nan 8.290 nan 0.000 0.543 292 A N 0.623 123.486 122.820 0.072 0.000 1.930 292 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 292 A C 2.397 179.970 177.584 -0.018 0.000 1.175 292 A CA 1.188 53.238 52.037 0.021 0.000 0.627 292 A CB -0.348 18.671 19.000 0.031 0.000 0.815 292 A HN 0.372 nan 8.150 nan 0.000 0.443 293 I N -1.219 119.384 120.570 0.054 0.000 2.208 293 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 293 I C 2.512 178.688 176.117 0.098 0.000 1.097 293 I CA 1.916 63.279 61.300 0.106 0.000 1.363 293 I CB -0.393 37.713 38.000 0.176 0.000 1.051 293 I HN 0.620 nan 8.210 nan 0.000 0.413 294 H N 1.111 120.198 119.070 0.028 0.000 2.293 294 H HA -0.128 4.428 4.556 0.000 0.000 0.300 294 H C 2.140 177.424 175.328 -0.074 0.000 1.082 294 H CA 1.851 57.916 56.048 0.029 0.000 1.308 294 H CB -0.157 29.637 29.762 0.054 0.000 1.375 294 H HN 0.149 nan 8.280 nan 0.000 0.495 295 L N -0.495 120.623 121.223 -0.174 0.000 1.976 295 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 295 L C 2.607 179.071 176.870 -0.678 0.000 1.071 295 L CA 1.339 55.948 54.840 -0.385 0.000 0.746 295 L CB -0.522 41.400 42.059 -0.229 0.000 0.890 295 L HN 0.226 nan 8.230 nan 0.000 0.432 296 V N 0.140 119.659 119.914 -0.658 0.000 2.358 296 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 296 V C 2.632 178.288 176.094 -0.730 0.000 1.047 296 V CA 1.905 63.741 62.300 -0.772 0.000 1.035 296 V CB -1.333 30.149 31.823 -0.568 0.000 0.658 296 V HN 0.572 nan 8.190 nan 0.000 0.452 297 G N 0.071 108.458 108.800 -0.690 0.000 2.459 297 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 297 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 297 G C 1.752 176.341 174.900 -0.519 0.000 1.183 297 G CA 0.602 45.144 45.100 -0.931 0.000 0.776 297 G HN 0.311 nan 8.290 nan 0.000 0.552 298 R N 0.682 120.978 120.500 -0.341 0.000 2.062 298 R HA 0.007 4.347 4.340 -0.000 0.000 0.231 298 R C 2.456 178.606 176.300 -0.251 0.000 1.136 298 R CA 1.379 57.332 56.100 -0.244 0.000 0.948 298 R CB -0.698 29.413 30.300 -0.316 0.000 0.845 298 R HN 0.550 nan 8.270 nan 0.000 0.430 299 E N 0.119 120.121 120.200 -0.331 0.000 2.299 299 E HA -0.010 4.340 4.350 -0.000 0.000 0.193 299 E C 1.657 178.112 176.600 -0.241 0.000 0.998 299 E CA 0.686 56.950 56.400 -0.226 0.000 0.851 299 E CB 0.381 30.010 29.700 -0.118 0.000 0.795 299 E HN 0.073 nan 8.360 nan 0.000 0.492 300 V N 0.346 120.019 119.914 -0.401 0.000 3.219 300 V HA 0.013 4.133 4.120 -0.000 0.000 0.240 300 V C 1.782 177.665 176.094 -0.353 0.000 1.222 300 V CA 0.306 62.391 62.300 -0.358 0.000 1.181 300 V CB 0.218 31.776 31.823 -0.443 0.000 0.941 300 V HN 0.148 nan 8.190 nan 0.000 0.471 301 L N 0.894 121.805 121.223 -0.520 0.000 2.529 301 L HA 0.366 4.705 4.340 -0.000 0.000 0.223 301 L C 1.693 178.370 176.870 -0.321 0.000 1.113 301 L CA 0.948 55.457 54.840 -0.552 0.000 0.861 301 L CB -0.296 41.041 42.059 -1.204 0.000 1.012 301 L HN 0.579 nan 8.230 nan 0.000 0.461 302 G N -0.695 107.965 108.800 -0.234 0.000 2.176 302 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 302 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 302 G C -0.243 174.738 174.900 0.136 0.000 1.024 302 G CA -0.366 44.710 45.100 -0.041 0.000 0.755 302 G HN 0.159 nan 8.290 nan 0.000 0.507 303 W N 1.460 122.727 121.300 -0.055 0.000 2.202 303 W HA 0.613 5.272 4.660 -0.001 0.000 0.332 303 W C 1.273 177.777 176.519 -0.024 0.000 1.263 303 W CA -0.793 56.531 57.345 -0.036 0.000 1.223 303 W CB 0.526 29.963 29.460 -0.039 0.000 1.128 303 W HN 0.545 nan 8.180 nan 0.000 0.573 304 S N 0.663 116.492 115.700 0.214 0.000 2.608 304 S HA 0.098 4.568 4.470 -0.000 0.000 0.261 304 S C 0.888 175.574 174.600 0.144 0.000 1.314 304 S CA -0.313 57.964 58.200 0.127 0.000 0.992 304 S CB 1.122 64.365 63.200 0.071 0.000 0.935 304 S HN 0.553 nan 8.310 nan 0.000 0.564 305 E N 0.565 120.837 120.200 0.120 0.000 2.110 305 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 305 E C 2.269 178.960 176.600 0.153 0.000 0.988 305 E CA 1.287 57.777 56.400 0.150 0.000 0.804 305 E CB -0.210 29.565 29.700 0.125 0.000 0.745 305 E HN 0.775 nan 8.360 nan 0.000 0.458 306 S N 0.416 116.172 115.700 0.095 0.000 2.368 306 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 306 S C 2.191 176.837 174.600 0.076 0.000 1.029 306 S CA 1.096 59.342 58.200 0.075 0.000 0.988 306 S CB -0.276 62.939 63.200 0.025 0.000 0.838 306 S HN 0.080 nan 8.310 nan 0.000 0.462 307 V N 1.537 121.460 119.914 0.014 0.000 2.343 307 V HA -0.100 4.020 4.120 -0.000 0.000 0.247 307 V C 2.677 178.718 176.094 -0.089 0.000 1.051 307 V CA 1.616 63.843 62.300 -0.123 0.000 1.036 307 V CB -0.740 30.917 31.823 -0.276 0.000 0.654 307 V HN 0.463 nan 8.190 nan 0.000 0.451 308 V N -0.182 119.799 119.914 0.111 0.000 2.287 308 V HA -0.357 3.763 4.120 -0.000 0.000 0.248 308 V C 2.404 178.590 176.094 0.154 0.000 1.053 308 V CA 2.704 65.140 62.300 0.226 0.000 1.027 308 V CB -0.804 31.212 31.823 0.322 0.000 0.646 308 V HN 0.743 nan 8.190 nan 0.000 0.447 309 H N 0.059 119.184 119.070 0.091 0.000 2.319 309 H HA -0.222 4.334 4.556 -0.000 0.000 0.297 309 H C 2.402 177.744 175.328 0.025 0.000 1.097 309 H CA 2.351 58.444 56.048 0.075 0.000 1.285 309 H CB -0.047 29.767 29.762 0.087 0.000 1.368 309 H HN 0.504 nan 8.280 nan 0.000 0.495 310 E N 0.048 120.293 120.200 0.074 0.000 2.051 310 E HA -0.218 4.131 4.350 -0.000 0.000 0.192 310 E C 2.146 178.684 176.600 -0.103 0.000 0.991 310 E CA 0.876 57.266 56.400 -0.015 0.000 0.799 310 E CB 0.098 29.779 29.700 -0.031 0.000 0.748 310 E HN 0.386 nan 8.360 nan 0.000 0.449 311 R N 0.137 120.561 120.500 -0.126 0.000 2.096 311 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 311 R C 2.211 178.471 176.300 -0.068 0.000 1.127 311 R CA 1.134 57.166 56.100 -0.114 0.000 0.968 311 R CB -0.966 29.274 30.300 -0.101 0.000 0.861 311 R HN 0.257 nan 8.270 nan 0.000 0.440 312 A N 0.520 123.292 122.820 -0.080 0.000 1.930 312 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 312 A C 2.450 179.944 177.584 -0.150 0.000 1.175 312 A CA 1.277 53.252 52.037 -0.104 0.000 0.627 312 A CB -0.443 18.480 19.000 -0.128 0.000 0.815 312 A HN 0.095 nan 8.150 nan 0.000 0.443 313 V N -0.054 119.737 119.914 -0.205 0.000 2.490 313 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 313 V C 2.906 178.931 176.094 -0.115 0.000 1.061 313 V CA 1.679 63.880 62.300 -0.166 0.000 1.064 313 V CB -1.080 30.655 31.823 -0.146 0.000 0.670 313 V HN 0.590 nan 8.190 nan 0.000 0.461 314 A N -0.400 122.358 122.820 -0.102 0.000 2.225 314 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 314 A C 2.092 179.621 177.584 -0.093 0.000 1.164 314 A CA 1.124 53.109 52.037 -0.088 0.000 0.710 314 A CB -0.640 18.311 19.000 -0.082 0.000 0.780 314 A HN 0.551 nan 8.150 nan 0.000 0.473 315 I N -0.381 120.129 120.570 -0.100 0.000 2.335 315 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 315 I C 2.619 178.653 176.117 -0.138 0.000 1.129 315 I CA 1.065 62.296 61.300 -0.114 0.000 1.402 315 I CB -0.426 37.507 38.000 -0.111 0.000 1.069 315 I HN 0.420 nan 8.210 nan 0.000 0.424 316 G N 0.450 109.176 108.800 -0.123 0.000 2.418 316 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.217 316 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.217 316 G C 1.268 176.101 174.900 -0.111 0.000 1.158 316 G CA 1.289 46.319 45.100 -0.116 0.000 0.771 316 G HN 0.433 nan 8.290 nan 0.000 0.545 317 D N -0.248 120.093 120.400 -0.099 0.000 2.144 317 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 317 D C 2.487 178.714 176.300 -0.122 0.000 0.978 317 D CA 1.664 55.611 54.000 -0.088 0.000 0.833 317 D CB -0.189 40.569 40.800 -0.069 0.000 0.961 317 D HN 0.216 nan 8.370 nan 0.000 0.470 318 T N 0.079 114.549 114.554 -0.139 0.000 2.720 318 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 318 T C 1.964 176.499 174.700 -0.275 0.000 1.037 318 T CA 0.903 62.902 62.100 -0.168 0.000 1.144 318 T CB -0.291 68.489 68.868 -0.146 0.000 0.864 318 T HN 0.171 nan 8.240 nan 0.000 0.444 319 L N 1.040 122.060 121.223 -0.337 0.000 2.093 319 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 319 L C 2.556 179.032 176.870 -0.658 0.000 1.085 319 L CA 0.869 55.337 54.840 -0.620 0.000 0.755 319 L CB -0.535 41.203 42.059 -0.534 0.000 0.904 319 L HN 0.203 nan 8.230 nan 0.000 0.435 320 N N -0.076 118.459 118.700 -0.275 0.000 2.166 320 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 320 N C 1.835 177.248 175.510 -0.161 0.000 1.019 320 N CA 1.174 54.150 53.050 -0.123 0.000 0.856 320 N CB -0.193 38.283 38.487 -0.018 0.000 0.993 320 N HN 0.483 nan 8.380 nan 0.000 0.426 321 Q N 0.190 119.881 119.800 -0.183 0.000 2.119 321 Q HA -0.032 4.308 4.340 -0.000 0.000 0.201 321 Q C 2.101 177.992 176.000 -0.183 0.000 0.972 321 Q CA 0.901 56.620 55.803 -0.141 0.000 0.847 321 Q CB -0.024 28.648 28.738 -0.109 0.000 0.903 321 Q HN 0.152 nan 8.270 nan 0.000 0.433 322 V N 0.610 120.323 119.914 -0.335 0.000 2.261 322 V HA -0.251 3.868 4.120 -0.000 0.000 0.246 322 V C 1.954 177.882 176.094 -0.276 0.000 1.047 322 V CA 1.807 63.886 62.300 -0.368 0.000 1.015 322 V CB -0.639 30.831 31.823 -0.588 0.000 0.642 322 V HN 0.246 nan 8.190 nan 0.000 0.446 323 F N 0.730 120.540 119.950 -0.233 0.000 2.161 323 F HA -0.163 4.364 4.527 0.000 0.000 0.300 323 F C 2.462 178.163 175.800 -0.166 0.000 1.089 323 F CA 1.578 59.380 58.000 -0.329 0.000 1.282 323 F CB -0.949 37.508 39.000 -0.905 0.000 1.010 323 F HN 0.301 nan 8.300 nan 0.000 0.485 324 E N 0.834 121.055 120.200 0.035 0.000 2.051 324 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 324 E C 2.237 178.868 176.600 0.052 0.000 0.991 324 E CA 1.554 57.995 56.400 0.068 0.000 0.799 324 E CB -0.330 29.393 29.700 0.039 0.000 0.748 324 E HN 0.428 nan 8.360 nan 0.000 0.449 325 I N 0.645 121.223 120.570 0.014 0.000 2.252 325 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 325 I C 2.748 178.889 176.117 0.040 0.000 1.102 325 I CA 1.120 62.430 61.300 0.016 0.000 1.385 325 I CB -0.365 37.628 38.000 -0.012 0.000 1.064 325 I HN 0.189 nan 8.210 nan 0.000 0.414 326 S N 0.701 116.433 115.700 0.053 0.000 2.359 326 S HA -0.243 4.227 4.470 -0.000 0.000 0.224 326 S C 1.753 176.430 174.600 0.129 0.000 1.035 326 S CA 2.023 60.271 58.200 0.080 0.000 1.018 326 S CB -0.300 62.977 63.200 0.128 0.000 0.876 326 S HN 0.365 nan 8.310 nan 0.000 0.448 327 D N 1.294 121.785 120.400 0.152 0.000 2.097 327 D HA -0.041 4.599 4.640 -0.000 0.000 0.195 327 D C 1.920 178.283 176.300 0.105 0.000 0.989 327 D CA 1.047 55.138 54.000 0.152 0.000 0.827 327 D CB -0.673 40.232 40.800 0.175 0.000 0.966 327 D HN 0.426 nan 8.370 nan 0.000 0.456 328 N N 0.872 119.622 118.700 0.083 0.000 2.142 328 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 328 N C 0.920 176.462 175.510 0.053 0.000 1.023 328 N CA 0.949 54.035 53.050 0.060 0.000 0.852 328 N CB -0.147 38.368 38.487 0.047 0.000 0.998 328 N HN 0.211 nan 8.380 nan 0.000 0.424 329 D N -0.826 119.606 120.400 0.053 0.000 2.360 329 D HA 0.174 4.814 4.640 -0.000 0.000 0.210 329 D C 0.664 176.998 176.300 0.056 0.000 1.047 329 D CA 0.291 54.318 54.000 0.045 0.000 0.854 329 D CB 0.021 40.840 40.800 0.031 0.000 0.936 329 D HN 0.245 nan 8.370 nan 0.000 0.514 330 G N 1.255 110.103 108.800 0.081 0.000 2.298 330 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.287 330 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.287 330 G C 0.285 175.242 174.900 0.095 0.000 1.075 330 G CA 0.565 45.732 45.100 0.112 0.000 0.960 330 G HN 0.449 nan 8.290 nan 0.000 0.502 331 V N -3.210 116.724 119.914 0.033 0.000 3.141 331 V HA 0.962 5.082 4.120 -0.000 0.000 0.312 331 V C 0.797 176.702 176.094 -0.314 0.000 1.157 331 V CA -0.189 62.071 62.300 -0.066 0.000 1.041 331 V CB 1.449 33.254 31.823 -0.030 0.000 1.071 331 V HN 1.285 nan 8.190 nan 0.000 0.441 332 T N -1.082 113.237 114.554 -0.392 0.000 2.802 332 T HA 0.331 4.681 4.350 -0.000 0.000 0.305 332 T C -1.721 172.878 174.700 -0.168 0.000 1.053 332 T CA -0.533 61.262 62.100 -0.509 0.000 1.058 332 T CB 0.631 69.384 68.868 -0.192 0.000 0.988 332 T HN 0.639 nan 8.240 nan 0.000 0.539 333 P HA 0.020 nan 4.420 nan 0.000 0.219 333 P C 1.044 178.348 177.300 0.006 0.000 1.150 333 P CA 0.892 64.017 63.100 0.042 0.000 0.814 333 P CB -0.045 31.764 31.700 0.182 0.000 0.787 334 D N -0.582 119.875 120.400 0.095 0.000 2.117 334 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 334 D C 1.931 178.319 176.300 0.147 0.000 0.987 334 D CA 1.013 55.108 54.000 0.158 0.000 0.829 334 D CB -0.105 40.852 40.800 0.262 0.000 0.961 334 D HN -0.083 nan 8.370 nan 0.000 0.460 335 E N -0.029 120.217 120.200 0.077 0.000 2.072 335 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 335 E C 2.088 178.714 176.600 0.044 0.000 0.985 335 E CA 0.934 57.369 56.400 0.057 0.000 0.801 335 E CB -0.458 29.253 29.700 0.017 0.000 0.750 335 E HN 0.383 nan 8.360 nan 0.000 0.452 336 A N 1.177 124.004 122.820 0.011 0.000 1.972 336 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 336 A C 2.367 179.947 177.584 -0.007 0.000 1.169 336 A CA 1.891 53.923 52.037 -0.009 0.000 0.635 336 A CB -0.436 18.545 19.000 -0.032 0.000 0.810 336 A HN 0.255 nan 8.150 nan 0.000 0.446 337 A N -0.155 122.668 122.820 0.005 0.000 1.930 337 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 337 A C 2.225 179.956 177.584 0.245 0.000 1.175 337 A CA 1.403 53.468 52.037 0.045 0.000 0.627 337 A CB -0.399 18.516 19.000 -0.143 0.000 0.815 337 A HN 0.542 nan 8.150 nan 0.000 0.443 338 R N -0.988 119.668 120.500 0.260 0.000 2.092 338 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 338 R C 2.212 178.552 176.300 0.068 0.000 1.119 338 R CA 1.724 57.911 56.100 0.146 0.000 0.970 338 R CB -0.636 29.715 30.300 0.085 0.000 0.864 338 R HN 0.483 nan 8.270 nan 0.000 0.440 339 T N 1.534 116.119 114.554 0.051 0.000 2.777 339 T HA -0.112 4.237 4.350 -0.000 0.000 0.266 339 T C 1.690 176.402 174.700 0.020 0.000 1.040 339 T CA 1.029 63.143 62.100 0.024 0.000 1.141 339 T CB -0.159 68.718 68.868 0.015 0.000 0.868 339 T HN 0.080 nan 8.240 nan 0.000 0.444 340 L N 1.304 122.539 121.223 0.021 0.000 2.083 340 L HA 0.083 4.423 4.340 -0.000 0.000 0.209 340 L C 2.579 179.466 176.870 0.027 0.000 1.083 340 L CA 1.765 56.610 54.840 0.009 0.000 0.752 340 L CB -0.881 41.165 42.059 -0.022 0.000 0.899 340 L HN 0.212 nan 8.230 nan 0.000 0.433 341 A N -0.458 122.398 122.820 0.060 0.000 1.908 341 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 341 A C 2.344 179.940 177.584 0.019 0.000 1.181 341 A CA 1.698 53.768 52.037 0.055 0.000 0.627 341 A CB -1.628 17.411 19.000 0.065 0.000 0.818 341 A HN 0.527 nan 8.150 nan 0.000 0.445 342 G N -0.655 108.151 108.800 0.010 0.000 2.418 342 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 342 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 342 G C 1.768 176.669 174.900 0.001 0.000 1.158 342 G CA 0.879 45.978 45.100 -0.001 0.000 0.771 342 G HN 0.586 nan 8.290 nan 0.000 0.545 343 R N -0.026 120.476 120.500 0.004 0.000 2.073 343 R HA 0.031 4.371 4.340 -0.000 0.000 0.234 343 R C 2.792 179.094 176.300 0.003 0.000 1.134 343 R CA 1.124 57.225 56.100 0.002 0.000 0.952 343 R CB -0.311 29.989 30.300 0.000 0.000 0.850 343 R HN 0.247 nan 8.270 nan 0.000 0.433 344 R N 0.460 120.964 120.500 0.006 0.000 2.081 344 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 344 R C 2.410 178.715 176.300 0.009 0.000 1.131 344 R CA 1.295 57.400 56.100 0.009 0.000 0.960 344 R CB -0.410 29.898 30.300 0.014 0.000 0.856 344 R HN 0.223 nan 8.270 nan 0.000 0.436 345 A N 1.492 124.316 122.820 0.008 0.000 1.883 345 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 345 A C 2.113 179.698 177.584 0.002 0.000 1.186 345 A CA 1.497 53.536 52.037 0.004 0.000 0.624 345 A CB -0.425 18.574 19.000 -0.002 0.000 0.822 345 A HN 0.255 nan 8.150 nan 0.000 0.444 346 R N -0.815 119.686 120.500 0.000 0.000 2.081 346 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 346 R C 2.223 178.524 176.300 0.002 0.000 1.131 346 R CA 1.506 57.606 56.100 -0.000 0.000 0.960 346 R CB -0.366 29.933 30.300 -0.002 0.000 0.856 346 R HN 0.681 nan 8.270 nan 0.000 0.436 347 E N 0.620 120.822 120.200 0.003 0.000 2.118 347 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 347 E C 0.531 177.134 176.600 0.006 0.000 0.992 347 E CA 1.026 57.429 56.400 0.004 0.000 0.804 347 E CB 0.081 29.783 29.700 0.005 0.000 0.741 347 E HN 0.333 nan 8.360 nan 0.000 0.458 348 A N 0.000 122.825 122.820 0.008 0.000 2.254 348 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 348 A CA 0.000 52.044 52.037 0.011 0.000 0.836 348 A CB 0.000 19.009 19.000 0.015 0.000 0.831 348 A HN 0.000 nan 8.150 nan 0.000 0.486