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 2cpo_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPGSGIGYPY DNNTLPYVAP GPTDSRAPCP ALNALANHGY IPHDGRAISR DATA SEQUENCE ETLQNAFLNH MGIANSVIEL ALTNAFVVcE YVTGSDcGDS LVNLTLLAEP DATA SEQUENCE HAFEHDHSFS RKDYKQGVAN SNDFIDNRNF DAETFQTSLD VVAGKTHFDY DATA SEQUENCE ADMNEIRLQR ESLSNELDFP GWFTESKPIQ NVESGFIFAL VSDFNLPDND DATA SEQUENCE ENPLVRIDWW KYWFTNESFP YHLGWHPPSP AREIEFVTSA SSAVLAASVT DATA SEQUENCE STPSSLPSGA IGPGAEAVPL SFASTMTPFL LATNAPYYAQ DPTLGPND 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 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.635 176.600 0.058 0.000 1.382 1 E CA 0.000 56.440 56.400 0.067 0.000 0.976 1 E CB 0.000 29.729 29.700 0.049 0.000 0.812 2 P HA -0.182 nan 4.420 nan 0.000 0.216 2 P C 1.301 178.613 177.300 0.019 0.000 1.157 2 P CA 2.028 65.156 63.100 0.047 0.000 0.880 2 P CB 0.146 31.872 31.700 0.044 0.000 0.791 3 G N -0.836 107.970 108.800 0.010 0.000 2.679 3 G HA2 -0.151 3.822 3.960 0.022 0.000 0.212 3 G HA3 -0.151 3.822 3.960 0.022 0.000 0.212 3 G C 1.515 176.406 174.900 -0.016 0.000 1.137 3 G CA 0.793 45.887 45.100 -0.010 0.000 0.787 3 G HN 0.395 nan 8.290 nan 0.000 0.534 4 S N -0.230 115.471 115.700 0.002 0.000 2.406 4 S HA 0.222 4.705 4.470 0.022 0.000 0.228 4 S C 2.092 176.683 174.600 -0.014 0.000 1.020 4 S CA 1.189 59.393 58.200 0.006 0.000 0.965 4 S CB -0.426 62.794 63.200 0.034 0.000 0.798 4 S HN 1.458 nan 8.310 nan 0.000 0.488 5 G N 1.183 109.966 108.800 -0.028 0.000 2.153 5 G HA2 -0.256 3.717 3.960 0.022 0.000 0.252 5 G HA3 -0.256 3.717 3.960 0.022 0.000 0.252 5 G C 0.557 175.458 174.900 0.000 0.000 0.994 5 G CA 0.481 45.558 45.100 -0.039 0.000 0.698 5 G HN 0.572 nan 8.290 nan 0.000 0.521 6 I N 0.411 120.953 120.570 -0.047 0.000 2.226 6 I HA -0.066 4.117 4.170 0.022 0.000 0.245 6 I C 2.739 178.688 176.117 -0.280 0.000 1.100 6 I CA 1.786 63.016 61.300 -0.118 0.000 1.374 6 I CB -0.293 37.617 38.000 -0.150 0.000 1.057 6 I HN 0.301 nan 8.210 nan 0.000 0.413 7 G N -0.816 107.770 108.800 -0.356 0.000 2.985 7 G HA2 -0.149 3.824 3.960 0.022 0.000 0.209 7 G HA3 -0.149 3.824 3.960 0.022 0.000 0.209 7 G C 0.456 175.383 174.900 0.045 0.000 1.165 7 G CA -0.267 44.650 45.100 -0.307 0.000 0.776 7 G HN 0.247 nan 8.290 nan 0.000 0.541 8 Y N 2.428 122.683 120.300 -0.075 0.000 2.511 8 Y HA 0.293 4.856 4.550 0.021 0.000 0.332 8 Y C -1.340 174.502 175.900 -0.097 0.000 1.177 8 Y CA -1.772 56.276 58.100 -0.088 0.000 1.422 8 Y CB 1.451 39.863 38.460 -0.080 0.000 1.271 8 Y HN -0.018 nan 8.280 nan 0.000 0.550 9 P HA 0.091 nan 4.420 nan 0.000 0.266 9 P C -0.329 176.508 177.300 -0.772 0.000 1.561 9 P CA 0.362 62.792 63.100 -1.118 0.000 1.089 9 P CB -0.016 30.805 31.700 -1.466 0.000 1.534 10 Y N -0.018 120.078 120.300 -0.339 0.000 2.347 10 Y HA 0.155 4.717 4.550 0.020 0.000 0.294 10 Y C 0.985 176.759 175.900 -0.210 0.000 1.117 10 Y CA 0.664 58.578 58.100 -0.309 0.000 1.184 10 Y CB 0.228 38.464 38.460 -0.372 0.000 1.047 10 Y HN -0.013 nan 8.280 nan 0.000 0.546 11 D N -0.725 119.679 120.400 0.007 0.000 2.402 11 D HA 0.165 4.818 4.640 0.022 0.000 0.252 11 D C -0.553 175.760 176.300 0.022 0.000 1.294 11 D CA -0.186 53.809 54.000 -0.008 0.000 0.948 11 D CB 0.275 41.107 40.800 0.053 0.000 1.202 11 D HN -0.045 nan 8.370 nan 0.000 0.561 12 N N 2.480 121.187 118.700 0.011 0.000 2.398 12 N HA 0.066 4.819 4.740 0.022 0.000 0.188 12 N C -0.604 174.945 175.510 0.064 0.000 1.122 12 N CA 0.163 53.253 53.050 0.066 0.000 0.866 12 N CB 0.049 38.578 38.487 0.069 0.000 0.970 12 N HN 0.393 nan 8.380 nan 0.000 0.462 13 N N -0.295 118.453 118.700 0.081 0.000 2.752 13 N HA 0.089 4.842 4.740 0.022 0.000 0.260 13 N C -0.832 174.816 175.510 0.230 0.000 1.562 13 N CA -0.293 52.835 53.050 0.131 0.000 0.788 13 N CB 1.129 39.687 38.487 0.117 0.000 1.192 13 N HN 0.004 nan 8.380 nan 0.000 0.503 14 T N -1.321 113.349 114.554 0.193 0.000 2.902 14 T HA 0.660 5.023 4.350 0.022 0.000 0.280 14 T C -0.063 174.796 174.700 0.264 0.000 0.992 14 T CA -0.595 61.667 62.100 0.269 0.000 1.015 14 T CB 1.264 70.245 68.868 0.189 0.000 1.044 14 T HN 0.045 nan 8.240 nan 0.000 0.520 15 L N 1.242 122.659 121.223 0.324 0.000 2.354 15 L HA 0.541 4.894 4.340 0.022 0.000 0.264 15 L C -2.499 174.486 176.870 0.191 0.000 1.008 15 L CA -2.859 52.075 54.840 0.157 0.000 0.819 15 L CB 2.564 44.637 42.059 0.023 0.000 1.339 15 L HN 0.479 nan 8.230 nan 0.000 0.420 16 P HA 0.009 nan 4.420 nan 0.000 0.272 16 P C -1.415 175.766 177.300 -0.198 0.000 1.230 16 P CA -0.086 63.030 63.100 0.026 0.000 0.788 16 P CB 0.307 31.998 31.700 -0.014 0.000 0.949 17 Y N 1.740 121.816 120.300 -0.372 0.000 2.304 17 Y HA 0.458 5.021 4.550 0.022 0.000 0.328 17 Y C -0.939 174.780 175.900 -0.302 0.000 1.123 17 Y CA -0.132 57.615 58.100 -0.589 0.000 1.218 17 Y CB 0.639 38.871 38.460 -0.381 0.000 1.207 17 Y HN 0.043 nan 8.280 nan 0.000 0.495 18 V N 6.343 125.700 119.914 -0.928 0.000 2.569 18 V HA 0.576 4.709 4.120 0.022 0.000 0.301 18 V C -0.221 175.423 176.094 -0.749 0.000 1.044 18 V CA -0.942 60.965 62.300 -0.655 0.000 0.874 18 V CB 1.113 32.573 31.823 -0.605 0.000 1.002 18 V HN 1.074 nan 8.190 nan 0.000 0.424 19 A N 7.855 130.331 122.820 -0.574 0.000 2.498 19 A HA 0.585 4.918 4.320 0.022 0.000 0.239 19 A C -1.960 175.452 177.584 -0.285 0.000 1.068 19 A CA -0.706 51.088 52.037 -0.405 0.000 0.766 19 A CB -0.140 18.713 19.000 -0.245 0.000 1.003 19 A HN 0.622 nan 8.150 nan 0.000 0.497 20 P HA 0.296 nan 4.420 nan 0.000 0.274 20 P C 0.262 177.386 177.300 -0.294 0.000 1.231 20 P CA 0.173 63.098 63.100 -0.292 0.000 0.790 20 P CB 1.019 32.564 31.700 -0.258 0.000 0.951 21 G N 1.303 109.987 108.800 -0.193 0.000 2.521 21 G HA2 0.413 4.386 3.960 0.022 0.000 0.323 21 G HA3 0.413 4.386 3.960 0.022 0.000 0.323 21 G C -1.933 172.903 174.900 -0.107 0.000 1.211 21 G CA -1.622 43.380 45.100 -0.164 0.000 0.979 21 G HN 0.197 nan 8.290 nan 0.000 0.490 22 P HA -0.093 nan 4.420 nan 0.000 0.218 22 P C 1.875 179.156 177.300 -0.031 0.000 1.146 22 P CA 2.146 65.228 63.100 -0.031 0.000 0.813 22 P CB 0.187 31.875 31.700 -0.021 0.000 0.778 23 T N -6.132 108.397 114.554 -0.041 0.000 3.060 23 T HA 0.082 4.445 4.350 0.022 0.000 0.249 23 T C 0.582 175.253 174.700 -0.049 0.000 1.079 23 T CA -0.193 61.886 62.100 -0.036 0.000 1.013 23 T CB -0.458 68.392 68.868 -0.030 0.000 0.975 23 T HN -0.093 nan 8.240 nan 0.000 0.518 24 D N 2.446 122.801 120.400 -0.075 0.000 2.362 24 D HA 0.300 4.953 4.640 0.022 0.000 0.242 24 D C -0.326 175.920 176.300 -0.090 0.000 1.132 24 D CA 0.169 54.103 54.000 -0.109 0.000 0.907 24 D CB 1.468 42.148 40.800 -0.201 0.000 1.195 24 D HN 0.233 nan 8.370 nan 0.000 0.429 25 S N 1.337 116.982 115.700 -0.091 0.000 2.442 25 S HA 0.437 4.920 4.470 0.022 0.000 0.297 25 S C -0.401 174.153 174.600 -0.076 0.000 1.131 25 S CA -0.762 57.399 58.200 -0.066 0.000 1.092 25 S CB 0.447 63.616 63.200 -0.051 0.000 0.998 25 S HN 0.206 nan 8.310 nan 0.000 0.478 26 R N 1.800 122.269 120.500 -0.052 0.000 2.888 26 R HA 0.805 5.158 4.340 0.022 0.000 0.266 26 R C -0.356 175.926 176.300 -0.031 0.000 1.020 26 R CA -0.723 55.351 56.100 -0.043 0.000 0.963 26 R CB 1.517 31.804 30.300 -0.023 0.000 1.197 26 R HN 0.683 nan 8.270 nan 0.000 0.481 27 A N 1.556 124.358 122.820 -0.031 0.000 2.312 27 A HA 0.674 5.007 4.320 0.022 0.000 0.310 27 A C -2.118 175.433 177.584 -0.055 0.000 1.139 27 A CA -1.318 50.693 52.037 -0.043 0.000 0.886 27 A CB 1.103 20.077 19.000 -0.043 0.000 1.350 27 A HN 0.503 nan 8.150 nan 0.000 0.479 28 P HA 0.165 nan 4.420 nan 0.000 0.249 28 P C -0.353 176.873 177.300 -0.124 0.000 1.544 28 P CA 0.246 63.283 63.100 -0.105 0.000 0.932 28 P CB -0.418 31.211 31.700 -0.119 0.000 1.524 29 C N 2.621 121.866 119.300 -0.092 0.000 2.340 29 C HA 0.471 4.944 4.460 0.022 0.000 0.323 29 C C -1.164 173.797 174.990 -0.048 0.000 1.260 29 C CA -2.608 56.379 59.018 -0.052 0.000 1.464 29 C CB 1.445 29.196 27.740 0.019 0.000 2.156 29 C HN 0.111 nan 8.230 nan 0.000 0.476 30 P HA -0.059 nan 4.420 nan 0.000 0.220 30 P C 1.244 178.736 177.300 0.320 0.000 1.148 30 P CA 1.864 64.844 63.100 -0.201 0.000 0.803 30 P CB 0.164 31.280 31.700 -0.973 0.000 0.782 31 A N 0.370 123.491 122.820 0.501 0.000 1.872 31 A HA -0.078 4.255 4.320 0.022 0.000 0.214 31 A C 2.432 180.202 177.584 0.310 0.000 1.187 31 A CA 1.091 53.477 52.037 0.581 0.000 0.614 31 A CB -1.505 17.905 19.000 0.682 0.000 0.826 31 A HN 0.094 nan 8.150 nan 0.000 0.442 32 L N -0.135 121.238 121.223 0.250 0.000 2.046 32 L HA -0.206 4.147 4.340 0.022 0.000 0.208 32 L C 2.263 179.174 176.870 0.068 0.000 1.077 32 L CA 1.258 56.177 54.840 0.131 0.000 0.747 32 L CB -0.682 41.450 42.059 0.122 0.000 0.896 32 L HN 0.361 nan 8.230 nan 0.000 0.432 33 N N 0.353 119.091 118.700 0.064 0.000 2.166 33 N HA -0.145 4.608 4.740 0.022 0.000 0.186 33 N C 1.863 177.394 175.510 0.035 0.000 1.019 33 N CA 1.520 54.585 53.050 0.025 0.000 0.856 33 N CB -0.347 38.150 38.487 0.015 0.000 0.993 33 N HN 0.310 nan 8.380 nan 0.000 0.426 34 A N 1.095 123.955 122.820 0.068 0.000 1.898 34 A HA -0.033 4.300 4.320 0.022 0.000 0.216 34 A C 2.365 180.016 177.584 0.111 0.000 1.181 34 A CA 0.862 52.900 52.037 0.001 0.000 0.620 34 A CB -0.725 18.121 19.000 -0.258 0.000 0.819 34 A HN 0.201 nan 8.150 nan 0.000 0.442 35 L N -0.779 120.538 121.223 0.156 0.000 2.017 35 L HA -0.212 4.141 4.340 0.022 0.000 0.208 35 L C 3.117 180.036 176.870 0.083 0.000 1.073 35 L CA 1.207 56.175 54.840 0.213 0.000 0.745 35 L CB -0.554 41.542 42.059 0.061 0.000 0.894 35 L HN 0.440 nan 8.230 nan 0.000 0.432 36 A N -0.029 122.804 122.820 0.021 0.000 1.933 36 A HA -0.195 4.138 4.320 0.022 0.000 0.218 36 A C 1.995 179.536 177.584 -0.070 0.000 1.175 36 A CA 1.730 53.742 52.037 -0.042 0.000 0.628 36 A CB -0.551 18.394 19.000 -0.091 0.000 0.814 36 A HN 0.429 nan 8.150 nan 0.000 0.444 37 N N -0.366 118.281 118.700 -0.088 0.000 2.289 37 N HA -0.115 4.638 4.740 0.022 0.000 0.184 37 N C 1.230 176.578 175.510 -0.270 0.000 1.016 37 N CA 1.133 54.068 53.050 -0.190 0.000 0.872 37 N CB -0.433 37.918 38.487 -0.226 0.000 0.973 37 N HN 0.657 nan 8.380 nan 0.000 0.433 38 H N -1.170 117.753 119.070 -0.245 0.000 2.575 38 H HA 0.185 4.754 4.556 0.021 0.000 0.267 38 H C 0.919 175.898 175.328 -0.582 0.000 0.966 38 H CA 0.695 56.453 56.048 -0.483 0.000 1.165 38 H CB 0.641 29.910 29.762 -0.821 0.000 1.433 38 H HN 0.253 nan 8.280 nan 0.000 0.544 39 G N 1.008 109.670 108.800 -0.229 0.000 2.136 39 G HA2 -0.318 3.655 3.960 0.022 0.000 0.242 39 G HA3 -0.318 3.655 3.960 0.022 0.000 0.242 39 G C 0.361 175.226 174.900 -0.059 0.000 0.989 39 G CA 0.347 45.375 45.100 -0.119 0.000 0.682 39 G HN 0.364 nan 8.290 nan 0.000 0.522 40 Y N -0.029 120.285 120.300 0.023 0.000 2.373 40 Y HA 0.304 4.867 4.550 0.022 0.000 0.293 40 Y C 1.988 177.903 175.900 0.024 0.000 1.129 40 Y CA 0.565 58.652 58.100 -0.021 0.000 1.226 40 Y CB -0.046 38.361 38.460 -0.090 0.000 1.000 40 Y HN 0.701 nan 8.280 nan 0.000 0.549 41 I N -3.842 116.815 120.570 0.145 0.000 2.892 41 I HA 0.527 4.710 4.170 0.022 0.000 0.306 41 I C -2.850 173.304 176.117 0.062 0.000 1.078 41 I CA -2.934 58.423 61.300 0.096 0.000 1.032 41 I CB 2.109 40.152 38.000 0.072 0.000 1.229 41 I HN -0.393 nan 8.210 nan 0.000 0.435 42 P HA -0.130 nan 4.420 nan 0.000 0.257 42 P C 0.414 177.729 177.300 0.024 0.000 1.153 42 P CA 0.603 63.729 63.100 0.043 0.000 0.762 42 P CB 0.004 31.725 31.700 0.035 0.000 0.743 43 H N 3.914 122.947 119.070 -0.061 0.000 2.489 43 H HA -0.184 4.384 4.556 0.020 0.000 0.295 43 H C 1.091 176.367 175.328 -0.088 0.000 1.082 43 H CA 1.840 57.828 56.048 -0.100 0.000 1.295 43 H CB 0.256 29.939 29.762 -0.132 0.000 1.380 43 H HN 0.455 nan 8.280 nan 0.000 0.548 44 D N -1.003 119.355 120.400 -0.071 0.000 2.339 44 D HA 0.035 4.688 4.640 0.022 0.000 0.217 44 D C 1.364 177.605 176.300 -0.099 0.000 1.050 44 D CA 0.731 54.669 54.000 -0.103 0.000 0.856 44 D CB -0.503 40.278 40.800 -0.030 0.000 0.922 44 D HN 0.424 nan 8.370 nan 0.000 0.518 45 G N 0.745 109.492 108.800 -0.088 0.000 2.249 45 G HA2 -0.323 3.650 3.960 0.022 0.000 0.273 45 G HA3 -0.323 3.650 3.960 0.022 0.000 0.273 45 G C 0.027 174.909 174.900 -0.030 0.000 1.036 45 G CA 0.214 45.278 45.100 -0.060 0.000 0.824 45 G HN 0.493 nan 8.290 nan 0.000 0.504 46 R N -0.950 119.543 120.500 -0.013 0.000 2.854 46 R HA 0.711 5.064 4.340 0.022 0.000 0.271 46 R C 0.644 176.958 176.300 0.023 0.000 0.994 46 R CA -0.525 55.576 56.100 0.001 0.000 0.945 46 R CB 1.641 31.939 30.300 -0.003 0.000 1.194 46 R HN 1.551 nan 8.270 nan 0.000 0.476 47 A N 1.930 124.770 122.820 0.034 0.000 2.183 47 A HA -0.172 4.161 4.320 0.022 0.000 0.278 47 A C -0.278 177.354 177.584 0.080 0.000 1.404 47 A CA 0.567 52.640 52.037 0.060 0.000 0.737 47 A CB -1.756 17.275 19.000 0.052 0.000 1.172 47 A HN 0.569 nan 8.150 nan 0.000 0.338 48 I N 1.719 122.348 120.570 0.099 0.000 2.378 48 I HA 0.462 4.645 4.170 0.022 0.000 0.291 48 I C 0.878 177.126 176.117 0.219 0.000 0.992 48 I CA -0.066 61.312 61.300 0.129 0.000 1.154 48 I CB 2.041 40.102 38.000 0.101 0.000 1.315 48 I HN 0.674 nan 8.210 nan 0.000 0.448 49 S N 5.292 121.113 115.700 0.202 0.000 2.632 49 S HA 0.421 4.904 4.470 0.022 0.000 0.271 49 S C 0.997 175.750 174.600 0.256 0.000 1.260 49 S CA -0.713 57.625 58.200 0.229 0.000 1.010 49 S CB 1.791 65.073 63.200 0.135 0.000 0.965 49 S HN 0.647 nan 8.310 nan 0.000 0.534 50 R N 0.811 121.453 120.500 0.236 0.000 2.091 50 R HA -0.124 4.229 4.340 0.022 0.000 0.238 50 R C 1.941 178.346 176.300 0.175 0.000 1.136 50 R CA 2.058 58.294 56.100 0.227 0.000 0.959 50 R CB -0.477 29.880 30.300 0.095 0.000 0.856 50 R HN 0.738 nan 8.270 nan 0.000 0.437 51 E N -0.487 119.786 120.200 0.122 0.000 2.153 51 E HA -0.109 4.254 4.350 0.022 0.000 0.194 51 E C 1.905 178.576 176.600 0.118 0.000 0.988 51 E CA 1.521 57.982 56.400 0.103 0.000 0.811 51 E CB -0.166 29.576 29.700 0.070 0.000 0.746 51 E HN 0.238 nan 8.360 nan 0.000 0.466 52 T N 0.985 115.618 114.554 0.132 0.000 2.777 52 T HA -0.081 4.282 4.350 0.022 0.000 0.266 52 T C 1.531 176.325 174.700 0.155 0.000 1.040 52 T CA 0.551 62.730 62.100 0.132 0.000 1.141 52 T CB -0.102 68.843 68.868 0.128 0.000 0.868 52 T HN -0.006 nan 8.240 nan 0.000 0.444 53 L N 1.486 122.829 121.223 0.199 0.000 1.994 53 L HA -0.068 4.285 4.340 0.022 0.000 0.208 53 L C 2.593 179.664 176.870 0.336 0.000 1.071 53 L CA 1.711 56.716 54.840 0.275 0.000 0.745 53 L CB -1.439 40.828 42.059 0.346 0.000 0.892 53 L HN 0.347 nan 8.230 nan 0.000 0.431 54 Q N -0.682 119.274 119.800 0.260 0.000 2.096 54 Q HA -0.240 4.113 4.340 0.022 0.000 0.204 54 Q C 1.963 178.065 176.000 0.170 0.000 0.982 54 Q CA 2.089 58.022 55.803 0.216 0.000 0.850 54 Q CB -0.253 28.568 28.738 0.139 0.000 0.901 54 Q HN 0.646 nan 8.270 nan 0.000 0.422 55 N N 0.138 118.911 118.700 0.121 0.000 2.216 55 N HA -0.089 4.664 4.740 0.022 0.000 0.183 55 N C 1.737 177.272 175.510 0.041 0.000 1.017 55 N CA 0.760 53.846 53.050 0.060 0.000 0.861 55 N CB -0.097 38.419 38.487 0.049 0.000 0.986 55 N HN 0.198 nan 8.380 nan 0.000 0.428 56 A N 0.782 123.656 122.820 0.091 0.000 1.877 56 A HA -0.121 4.212 4.320 0.022 0.000 0.216 56 A C 1.780 179.355 177.584 -0.015 0.000 1.186 56 A CA 1.175 53.261 52.037 0.082 0.000 0.620 56 A CB -0.851 18.177 19.000 0.047 0.000 0.822 56 A HN 0.179 nan 8.150 nan 0.000 0.443 57 F N -0.691 119.299 119.950 0.066 0.000 2.075 57 F HA -0.126 4.407 4.527 0.010 0.000 0.297 57 F C 2.118 177.891 175.800 -0.044 0.000 1.113 57 F CA 1.622 59.636 58.000 0.024 0.000 1.218 57 F CB -0.647 38.369 39.000 0.028 0.000 0.984 57 F HN 0.263 nan 8.300 nan 0.000 0.472 58 L N 0.492 121.796 121.223 0.136 0.000 1.994 58 L HA -0.212 4.141 4.340 0.022 0.000 0.208 58 L C 1.719 178.524 176.870 -0.109 0.000 1.071 58 L CA 2.122 56.970 54.840 0.012 0.000 0.745 58 L CB -1.104 40.957 42.059 0.004 0.000 0.892 58 L HN 0.099 nan 8.230 nan 0.000 0.431 59 N N -2.020 116.549 118.700 -0.218 0.000 2.331 59 N HA -0.103 4.650 4.740 0.022 0.000 0.180 59 N C 1.107 176.234 175.510 -0.638 0.000 1.019 59 N CA 1.070 53.852 53.050 -0.446 0.000 0.881 59 N CB -0.037 38.098 38.487 -0.587 0.000 0.972 59 N HN 0.481 nan 8.380 nan 0.000 0.435 60 H N -1.286 117.609 119.070 -0.291 0.000 2.874 60 H HA 0.299 4.868 4.556 0.021 0.000 0.264 60 H C 0.891 175.991 175.328 -0.380 0.000 1.007 60 H CA 0.356 56.148 56.048 -0.426 0.000 1.207 60 H CB 0.710 29.983 29.762 -0.815 0.000 1.487 60 H HN 0.208 nan 8.280 nan 0.000 0.505 61 M N -0.775 118.743 119.600 -0.137 0.000 2.289 61 M HA 0.232 4.725 4.480 0.022 0.000 0.335 61 M C 0.830 177.102 176.300 -0.047 0.000 0.961 61 M CA 0.266 55.521 55.300 -0.074 0.000 1.018 61 M CB 1.833 34.477 32.600 0.073 0.000 1.678 61 M HN 0.260 nan 8.290 nan 0.000 0.589 62 G N 2.298 111.048 108.800 -0.085 0.000 2.221 62 G HA2 -0.207 3.766 3.960 0.022 0.000 0.265 62 G HA3 -0.207 3.766 3.960 0.022 0.000 0.265 62 G C -0.258 174.616 174.900 -0.043 0.000 1.041 62 G CA -0.098 44.945 45.100 -0.095 0.000 0.807 62 G HN 0.390 nan 8.290 nan 0.000 0.502 63 I N 0.899 121.481 120.570 0.020 0.000 2.354 63 I HA 0.603 4.786 4.170 0.022 0.000 0.286 63 I C 0.948 177.079 176.117 0.023 0.000 1.007 63 I CA -0.925 60.389 61.300 0.022 0.000 1.167 63 I CB 0.773 38.799 38.000 0.042 0.000 1.320 63 I HN 0.332 nan 8.210 nan 0.000 0.458 64 A N 5.782 128.606 122.820 0.006 0.000 2.386 64 A HA 0.221 4.554 4.320 0.022 0.000 0.246 64 A C 1.235 178.831 177.584 0.020 0.000 1.089 64 A CA -0.155 51.891 52.037 0.015 0.000 0.790 64 A CB 0.201 19.210 19.000 0.015 0.000 1.042 64 A HN 0.730 nan 8.150 nan 0.000 0.497 65 N N 0.776 119.495 118.700 0.032 0.000 2.104 65 N HA -0.187 4.566 4.740 0.022 0.000 0.190 65 N C 2.088 177.623 175.510 0.041 0.000 1.024 65 N CA 1.963 55.037 53.050 0.040 0.000 0.853 65 N CB -0.642 37.872 38.487 0.044 0.000 1.008 65 N HN 0.794 nan 8.380 nan 0.000 0.424 66 S N 0.150 115.878 115.700 0.046 0.000 2.400 66 S HA -0.106 4.377 4.470 0.022 0.000 0.232 66 S C 2.129 176.778 174.600 0.082 0.000 1.025 66 S CA 1.202 59.438 58.200 0.060 0.000 0.993 66 S CB -0.834 62.403 63.200 0.062 0.000 0.808 66 S HN 0.084 nan 8.310 nan 0.000 0.478 67 V N 2.976 122.936 119.914 0.077 0.000 2.407 67 V HA -0.079 4.054 4.120 0.022 0.000 0.248 67 V C 2.228 178.391 176.094 0.114 0.000 1.055 67 V CA 1.887 64.260 62.300 0.121 0.000 1.049 67 V CB -0.939 30.919 31.823 0.058 0.000 0.662 67 V HN 0.829 nan 8.190 nan 0.000 0.455 68 I N -2.772 117.800 120.570 0.002 0.000 3.904 68 I HA 0.287 4.470 4.170 0.022 0.000 0.333 68 I C 1.843 178.016 176.117 0.093 0.000 1.361 68 I CA 0.255 61.556 61.300 0.001 0.000 1.116 68 I CB -0.002 37.884 38.000 -0.191 0.000 1.028 68 I HN 0.088 nan 8.210 nan 0.000 0.398 69 E N 1.938 122.196 120.200 0.096 0.000 2.038 69 E HA -0.231 4.132 4.350 0.022 0.000 0.195 69 E C 1.927 178.592 176.600 0.108 0.000 1.000 69 E CA 1.835 58.292 56.400 0.095 0.000 0.803 69 E CB -0.214 29.530 29.700 0.074 0.000 0.750 69 E HN 0.553 nan 8.360 nan 0.000 0.448 70 L N 0.014 121.301 121.223 0.106 0.000 2.093 70 L HA 0.021 4.374 4.340 0.022 0.000 0.208 70 L C 2.095 179.023 176.870 0.098 0.000 1.085 70 L CA 2.046 56.931 54.840 0.076 0.000 0.755 70 L CB -0.880 41.207 42.059 0.046 0.000 0.904 70 L HN 0.176 nan 8.230 nan 0.000 0.435 71 A N -0.812 122.130 122.820 0.205 0.000 1.940 71 A HA -0.193 4.140 4.320 0.022 0.000 0.219 71 A C 2.158 179.959 177.584 0.362 0.000 1.176 71 A CA 1.879 54.136 52.037 0.365 0.000 0.631 71 A CB -0.805 18.472 19.000 0.462 0.000 0.814 71 A HN 0.412 nan 8.150 nan 0.000 0.446 72 L N -0.374 121.017 121.223 0.281 0.000 2.005 72 L HA -0.108 4.245 4.340 0.022 0.000 0.207 72 L C 2.741 179.843 176.870 0.387 0.000 1.072 72 L CA 2.530 57.576 54.840 0.343 0.000 0.744 72 L CB -1.413 40.812 42.059 0.276 0.000 0.895 72 L HN 0.396 nan 8.230 nan 0.000 0.433 73 T N -0.259 114.441 114.554 0.244 0.000 2.684 73 T HA -0.178 4.185 4.350 0.022 0.000 0.267 73 T C 1.719 176.536 174.700 0.194 0.000 1.036 73 T CA 1.612 63.831 62.100 0.199 0.000 1.148 73 T CB -0.262 68.662 68.868 0.094 0.000 0.863 73 T HN 0.270 nan 8.240 nan 0.000 0.436 74 N N 1.193 119.945 118.700 0.087 0.000 2.244 74 N HA 0.037 4.790 4.740 0.022 0.000 0.183 74 N C 2.056 177.698 175.510 0.220 0.000 1.016 74 N CA 1.145 54.191 53.050 -0.006 0.000 0.866 74 N CB -0.558 37.613 38.487 -0.526 0.000 0.980 74 N HN 0.437 nan 8.380 nan 0.000 0.430 75 A N 0.175 123.196 122.820 0.336 0.000 1.902 75 A HA -0.082 4.251 4.320 0.022 0.000 0.217 75 A C 1.935 179.529 177.584 0.018 0.000 1.181 75 A CA 1.048 53.231 52.037 0.243 0.000 0.623 75 A CB -0.857 18.218 19.000 0.124 0.000 0.818 75 A HN 0.210 nan 8.150 nan 0.000 0.443 76 F N -0.523 119.538 119.950 0.186 0.000 2.259 76 F HA -0.064 4.481 4.527 0.031 0.000 0.298 76 F C 2.347 178.239 175.800 0.154 0.000 1.088 76 F CA 1.080 59.167 58.000 0.146 0.000 1.358 76 F CB -0.287 38.782 39.000 0.115 0.000 1.040 76 F HN 0.017 nan 8.300 nan 0.000 0.505 77 V N -0.810 119.287 119.914 0.305 0.000 2.358 77 V HA -0.241 3.892 4.120 0.022 0.000 0.246 77 V C 2.237 178.527 176.094 0.327 0.000 1.047 77 V CA 1.472 63.947 62.300 0.292 0.000 1.035 77 V CB -0.605 31.373 31.823 0.258 0.000 0.658 77 V HN 0.143 nan 8.190 nan 0.000 0.452 78 V N -1.118 118.978 119.914 0.304 0.000 2.427 78 V HA -0.275 3.858 4.120 0.022 0.000 0.248 78 V C 2.522 178.689 176.094 0.122 0.000 1.051 78 V CA 1.978 64.419 62.300 0.235 0.000 1.048 78 V CB -0.610 31.367 31.823 0.256 0.000 0.666 78 V HN 0.765 nan 8.190 nan 0.000 0.456 79 c N 0.264 118.915 118.600 0.086 0.000 2.413 79 c HA -0.205 4.378 4.570 0.022 0.000 0.276 79 c C 2.831 176.957 174.090 0.061 0.000 1.248 79 c CA 1.923 58.268 56.329 0.028 0.000 1.742 79 c CB -0.716 41.783 42.510 -0.018 0.000 2.017 79 c HN 0.743 nan 8.230 nan 0.000 0.481 80 E N -1.378 118.900 120.200 0.130 0.000 2.072 80 E HA -0.259 4.104 4.350 0.022 0.000 0.191 80 E C 2.072 178.742 176.600 0.117 0.000 0.985 80 E CA 1.561 58.038 56.400 0.130 0.000 0.801 80 E CB -0.566 29.235 29.700 0.169 0.000 0.750 80 E HN 0.789 nan 8.360 nan 0.000 0.452 81 Y N 0.722 121.008 120.300 -0.022 0.000 2.165 81 Y HA -0.197 4.365 4.550 0.020 0.000 0.286 81 Y C 1.877 177.691 175.900 -0.143 0.000 1.155 81 Y CA 1.525 59.548 58.100 -0.128 0.000 1.164 81 Y CB -0.472 37.742 38.460 -0.409 0.000 0.978 81 Y HN -0.048 nan 8.280 nan 0.000 0.513 82 V N -0.081 119.638 119.914 -0.325 0.000 2.346 82 V HA -0.215 3.918 4.120 0.022 0.000 0.244 82 V C 2.532 178.499 176.094 -0.212 0.000 1.037 82 V CA 2.326 64.392 62.300 -0.390 0.000 1.029 82 V CB -1.183 30.479 31.823 -0.268 0.000 0.663 82 V HN 0.632 nan 8.190 nan 0.000 0.454 83 T N -2.468 112.022 114.554 -0.107 0.000 2.985 83 T HA 0.187 4.550 4.350 0.022 0.000 0.266 83 T C 1.657 176.332 174.700 -0.043 0.000 1.076 83 T CA 1.366 63.430 62.100 -0.060 0.000 1.135 83 T CB 0.372 69.229 68.868 -0.019 0.000 0.890 83 T HN 0.996 nan 8.240 nan 0.000 0.480 84 G N 0.860 109.643 108.800 -0.029 0.000 2.194 84 G HA2 -0.165 3.808 3.960 0.022 0.000 0.236 84 G HA3 -0.165 3.808 3.960 0.022 0.000 0.236 84 G C 0.218 175.135 174.900 0.027 0.000 0.987 84 G CA 0.255 45.353 45.100 -0.003 0.000 0.635 84 G HN 1.497 nan 8.290 nan 0.000 0.520 85 S N -0.750 114.972 115.700 0.036 0.000 2.588 85 S HA 0.600 5.083 4.470 0.022 0.000 0.275 85 S C -0.907 173.737 174.600 0.073 0.000 1.130 85 S CA -0.102 58.127 58.200 0.050 0.000 0.855 85 S CB 2.446 65.669 63.200 0.038 0.000 1.116 85 S HN 0.427 nan 8.310 nan 0.000 0.472 86 D N -0.165 120.283 120.400 0.080 0.000 2.488 86 D HA 0.155 4.808 4.640 0.022 0.000 0.238 86 D C 0.483 176.854 176.300 0.118 0.000 1.138 86 D CA 0.008 54.070 54.000 0.103 0.000 0.873 86 D CB 0.459 41.308 40.800 0.081 0.000 1.183 86 D HN 0.588 nan 8.370 nan 0.000 0.458 87 c N 3.594 122.302 118.600 0.181 0.000 2.791 87 c HA 0.437 5.021 4.570 0.022 0.000 0.270 87 c C 1.650 175.876 174.090 0.228 0.000 1.257 87 c CA 0.099 56.558 56.329 0.216 0.000 1.699 87 c CB -1.412 41.261 42.510 0.273 0.000 1.904 87 c HN 0.941 nan 8.230 nan 0.000 0.603 88 G N 1.785 110.670 108.800 0.142 0.000 2.634 88 G HA2 -0.361 3.612 3.960 0.022 0.000 0.318 88 G HA3 -0.361 3.612 3.960 0.022 0.000 0.318 88 G C 0.173 175.035 174.900 -0.063 0.000 1.207 88 G CA 1.141 46.265 45.100 0.040 0.000 0.987 88 G HN 0.449 nan 8.290 nan 0.000 0.547 89 D N 0.226 120.619 120.400 -0.012 0.000 2.891 89 D HA 0.513 5.166 4.640 0.022 0.000 0.332 89 D C -0.286 176.120 176.300 0.178 0.000 1.369 89 D CA 0.797 54.760 54.000 -0.062 0.000 0.827 89 D CB -0.009 40.740 40.800 -0.085 0.000 1.141 89 D HN 0.475 nan 8.370 nan 0.000 0.464 90 S N 0.953 116.852 115.700 0.332 0.000 2.381 90 S HA 0.253 4.736 4.470 0.022 0.000 0.193 90 S C -1.028 173.738 174.600 0.277 0.000 1.287 90 S CA -0.687 57.673 58.200 0.266 0.000 1.199 90 S CB -0.070 63.219 63.200 0.149 0.000 1.214 90 S HN 0.238 nan 8.310 nan 0.000 0.444 91 L N 6.607 127.973 121.223 0.238 0.000 2.597 91 L HA 0.204 4.557 4.340 0.022 0.000 0.271 91 L C 1.418 178.288 176.870 0.001 0.000 1.157 91 L CA 0.740 55.548 54.840 -0.053 0.000 0.928 91 L CB 0.273 42.187 42.059 -0.241 0.000 1.216 91 L HN 0.534 nan 8.230 nan 0.000 0.481 92 V N 3.840 123.754 119.914 0.000 0.000 2.250 92 V HA -0.269 3.864 4.120 0.022 0.000 0.253 92 V C 0.812 176.900 176.094 -0.010 0.000 1.065 92 V CA 2.279 64.582 62.300 0.005 0.000 1.039 92 V CB -1.020 30.802 31.823 -0.001 0.000 0.647 92 V HN 1.106 nan 8.190 nan 0.000 0.446 93 N N -3.162 115.519 118.700 -0.031 0.000 3.046 93 N HA 0.289 5.042 4.740 0.022 0.000 0.243 93 N C -0.322 175.161 175.510 -0.045 0.000 1.452 93 N CA -0.717 52.313 53.050 -0.032 0.000 0.882 93 N CB 0.810 39.279 38.487 -0.029 0.000 1.425 93 N HN -0.073 nan 8.380 nan 0.000 0.517 94 L N -0.495 120.704 121.223 -0.041 0.000 2.209 94 L HA 0.049 4.402 4.340 0.022 0.000 0.207 94 L C 1.554 178.396 176.870 -0.046 0.000 1.094 94 L CA 1.117 55.932 54.840 -0.042 0.000 0.790 94 L CB -0.550 41.488 42.059 -0.035 0.000 0.932 94 L HN 0.706 nan 8.230 nan 0.000 0.447 95 T N 1.558 116.087 114.554 -0.041 0.000 2.720 95 T HA -0.181 4.182 4.350 0.022 0.000 0.268 95 T C 1.778 176.451 174.700 -0.045 0.000 1.037 95 T CA 1.760 63.838 62.100 -0.037 0.000 1.144 95 T CB -0.388 68.463 68.868 -0.028 0.000 0.864 95 T HN 0.329 nan 8.240 nan 0.000 0.444 96 L N 0.060 121.253 121.223 -0.050 0.000 2.353 96 L HA 0.126 4.479 4.340 0.022 0.000 0.220 96 L C 1.926 178.768 176.870 -0.047 0.000 1.133 96 L CA 1.356 56.161 54.840 -0.059 0.000 0.798 96 L CB -1.216 40.804 42.059 -0.065 0.000 0.922 96 L HN 0.163 nan 8.230 nan 0.000 0.445 97 L N 0.352 121.547 121.223 -0.046 0.000 2.362 97 L HA 0.003 4.356 4.340 0.022 0.000 0.219 97 L C 2.370 179.207 176.870 -0.055 0.000 1.134 97 L CA 0.700 55.514 54.840 -0.044 0.000 0.807 97 L CB -0.557 41.447 42.059 -0.091 0.000 0.927 97 L HN 0.483 nan 8.230 nan 0.000 0.447 98 A N -0.352 122.432 122.820 -0.061 0.000 2.359 98 A HA 0.021 4.354 4.320 0.022 0.000 0.240 98 A C 0.641 178.173 177.584 -0.086 0.000 1.306 98 A CA -0.215 51.781 52.037 -0.069 0.000 0.898 98 A CB -0.489 18.478 19.000 -0.056 0.000 0.956 98 A HN 0.228 nan 8.150 nan 0.000 0.497 99 E N 2.553 122.716 120.200 -0.062 0.000 2.328 99 E HA 0.164 4.527 4.350 0.022 0.000 0.265 99 E C -2.274 174.291 176.600 -0.058 0.000 1.057 99 E CA -2.270 54.083 56.400 -0.079 0.000 0.916 99 E CB 0.409 30.091 29.700 -0.029 0.000 0.993 99 E HN 0.292 nan 8.360 nan 0.000 0.446 100 P HA -0.050 nan 4.420 nan 0.000 0.269 100 P C -0.713 176.603 177.300 0.026 0.000 1.215 100 P CA 0.305 63.254 63.100 -0.251 0.000 0.780 100 P CB 0.185 31.395 31.700 -0.817 0.000 0.898 101 H N -0.531 118.541 119.070 0.003 0.000 2.692 101 H HA -0.175 4.394 4.556 0.021 0.000 0.316 101 H C 0.588 176.021 175.328 0.175 0.000 1.176 101 H CA 0.148 56.199 56.048 0.004 0.000 1.142 101 H CB -1.385 28.307 29.762 -0.118 0.000 1.475 101 H HN 0.676 nan 8.280 nan 0.000 0.423 102 A N 0.142 123.164 122.820 0.336 0.000 2.254 102 A HA 0.329 4.662 4.320 0.022 0.000 0.186 102 A C 0.720 178.550 177.584 0.410 0.000 1.413 102 A CA 0.087 52.396 52.037 0.454 0.000 1.742 102 A CB -0.393 18.863 19.000 0.426 0.000 2.016 102 A HN 0.141 nan 8.150 nan 0.000 0.796 103 F N 1.305 121.395 119.950 0.232 0.000 2.262 103 F HA 0.267 4.804 4.527 0.018 0.000 0.292 103 F C 0.935 176.832 175.800 0.163 0.000 1.081 103 F CA 0.998 59.113 58.000 0.192 0.000 1.355 103 F CB -0.039 39.063 39.000 0.171 0.000 1.069 103 F HN 0.347 nan 8.300 nan 0.000 0.506 104 E N 1.498 121.864 120.200 0.276 0.000 2.344 104 E HA 0.069 4.432 4.350 0.022 0.000 0.270 104 E C -1.099 175.537 176.600 0.060 0.000 1.021 104 E CA 0.148 56.555 56.400 0.012 0.000 0.887 104 E CB 0.352 30.024 29.700 -0.046 0.000 0.997 104 E HN 0.540 nan 8.360 nan 0.000 0.429 105 H N 1.046 120.142 119.070 0.043 0.000 2.864 105 H HA 0.474 5.042 4.556 0.021 0.000 0.354 105 H C -0.466 174.798 175.328 -0.106 0.000 1.208 105 H CA -1.023 55.007 56.048 -0.030 0.000 1.191 105 H CB 0.549 30.247 29.762 -0.106 0.000 1.889 105 H HN 0.218 nan 8.280 nan 0.000 0.574 106 D N -0.361 120.019 120.400 -0.033 0.000 2.414 106 D HA 0.067 4.720 4.640 0.022 0.000 0.251 106 D C 0.062 176.178 176.300 -0.306 0.000 1.252 106 D CA 0.632 54.607 54.000 -0.041 0.000 0.999 106 D CB -0.092 40.708 40.800 -0.002 0.000 1.093 106 D HN 1.052 nan 8.370 nan 0.000 0.515 107 H N -2.719 116.518 119.070 0.279 0.000 2.604 107 H HA -0.146 4.423 4.556 0.022 0.000 0.321 107 H C -0.659 174.727 175.328 0.096 0.000 1.132 107 H CA 0.491 56.683 56.048 0.240 0.000 1.129 107 H CB -2.324 27.635 29.762 0.328 0.000 1.526 107 H HN -0.000 nan 8.280 nan 0.000 0.415 108 S N -0.482 115.245 115.700 0.045 0.000 2.608 108 S HA 0.286 4.769 4.470 0.022 0.000 0.261 108 S C 1.101 175.740 174.600 0.065 0.000 1.314 108 S CA -0.206 57.982 58.200 -0.020 0.000 0.992 108 S CB 0.253 63.432 63.200 -0.035 0.000 0.935 108 S HN 0.360 nan 8.310 nan 0.000 0.564 109 F N 1.043 121.197 119.950 0.340 0.000 2.293 109 F HA 0.042 4.581 4.527 0.020 0.000 0.297 109 F C 2.221 178.250 175.800 0.380 0.000 1.089 109 F CA 0.744 58.993 58.000 0.415 0.000 1.377 109 F CB -0.169 39.203 39.000 0.620 0.000 1.051 109 F HN 0.588 nan 8.300 nan 0.000 0.511 110 S N -1.968 113.988 115.700 0.426 0.000 2.960 110 S HA 0.449 4.932 4.470 0.022 0.000 0.256 110 S C 0.175 174.730 174.600 -0.075 0.000 1.017 110 S CA -0.602 57.708 58.200 0.185 0.000 1.144 110 S CB 0.310 63.605 63.200 0.159 0.000 1.109 110 S HN 0.002 nan 8.310 nan 0.000 0.638 111 R N 1.440 121.924 120.500 -0.026 0.000 2.807 111 R HA 0.604 4.957 4.340 0.022 0.000 0.276 111 R C -0.826 175.454 176.300 -0.034 0.000 0.979 111 R CA -0.537 55.511 56.100 -0.086 0.000 0.928 111 R CB 1.170 31.419 30.300 -0.085 0.000 1.191 111 R HN 0.138 nan 8.270 nan 0.000 0.471 112 K N 0.784 121.157 120.400 -0.046 0.000 2.138 112 K HA 0.195 4.528 4.320 0.022 0.000 0.251 112 K C -0.502 176.119 176.600 0.035 0.000 1.015 112 K CA -0.526 55.759 56.287 -0.004 0.000 0.917 112 K CB 0.503 32.984 32.500 -0.033 0.000 1.021 112 K HN 0.442 nan 8.250 nan 0.000 0.485 113 D N 0.304 120.754 120.400 0.083 0.000 2.329 113 D HA -0.008 4.645 4.640 0.022 0.000 0.246 113 D C 0.768 177.105 176.300 0.062 0.000 1.111 113 D CA -0.102 53.987 54.000 0.148 0.000 0.941 113 D CB 0.433 41.409 40.800 0.293 0.000 1.169 113 D HN 0.414 nan 8.370 nan 0.000 0.441 114 Y N 1.189 121.411 120.300 -0.130 0.000 2.151 114 Y HA -0.196 4.368 4.550 0.023 0.000 0.284 114 Y C 1.062 176.655 175.900 -0.511 0.000 1.166 114 Y CA 1.715 59.600 58.100 -0.359 0.000 1.163 114 Y CB 0.271 38.395 38.460 -0.559 0.000 0.974 114 Y HN 0.204 nan 8.280 nan 0.000 0.511 115 K N 0.949 120.905 120.400 -0.740 0.000 3.135 115 K HA 0.103 4.436 4.320 0.022 0.000 0.210 115 K C -0.455 176.029 176.600 -0.192 0.000 1.176 115 K CA -0.194 55.734 56.287 -0.599 0.000 1.064 115 K CB 0.456 32.484 32.500 -0.787 0.000 1.009 115 K HN 0.250 nan 8.250 nan 0.000 0.472 116 Q N 0.368 120.104 119.800 -0.106 0.000 2.295 116 Q HA 0.130 4.483 4.340 0.022 0.000 0.259 116 Q C 0.631 176.627 176.000 -0.007 0.000 0.976 116 Q CA 0.441 56.249 55.803 0.009 0.000 0.923 116 Q CB 0.636 29.391 28.738 0.028 0.000 1.185 116 Q HN 0.627 nan 8.270 nan 0.000 0.410 117 G N 2.791 111.613 108.800 0.037 0.000 2.258 117 G HA2 -0.267 3.706 3.960 0.022 0.000 0.274 117 G HA3 -0.267 3.706 3.960 0.022 0.000 0.274 117 G C 0.038 174.951 174.900 0.022 0.000 1.021 117 G CA 0.455 45.572 45.100 0.027 0.000 0.798 117 G HN 0.853 nan 8.290 nan 0.000 0.507 118 V N -3.226 116.715 119.914 0.045 0.000 2.567 118 V HA 0.843 4.976 4.120 0.022 0.000 0.289 118 V C 1.274 177.450 176.094 0.136 0.000 1.049 118 V CA 0.286 62.590 62.300 0.007 0.000 0.969 118 V CB 1.277 33.026 31.823 -0.123 0.000 0.995 118 V HN 1.144 nan 8.190 nan 0.000 0.471 119 A N 3.757 126.617 122.820 0.066 0.000 2.016 119 A HA 0.170 4.503 4.320 0.022 0.000 0.217 119 A C 0.919 178.601 177.584 0.163 0.000 1.162 119 A CA 0.793 52.901 52.037 0.119 0.000 0.662 119 A CB -0.785 18.241 19.000 0.042 0.000 0.812 119 A HN 0.951 nan 8.150 nan 0.000 0.450 120 N N -1.064 117.631 118.700 -0.008 0.000 2.314 120 N HA 0.324 5.077 4.740 0.022 0.000 0.304 120 N C 0.871 176.082 175.510 -0.499 0.000 1.073 120 N CA 0.223 53.199 53.050 -0.124 0.000 0.822 120 N CB 1.838 40.263 38.487 -0.104 0.000 1.280 120 N HN 0.146 nan 8.380 nan 0.000 0.489 121 S N 1.322 116.591 115.700 -0.719 0.000 2.400 121 S HA -0.218 4.265 4.470 0.022 0.000 0.232 121 S C 1.098 175.419 174.600 -0.464 0.000 1.025 121 S CA 1.221 58.823 58.200 -0.996 0.000 0.993 121 S CB -0.401 62.498 63.200 -0.501 0.000 0.808 121 S HN 0.576 nan 8.310 nan 0.000 0.478 122 N N 1.637 120.182 118.700 -0.258 0.000 2.494 122 N HA 0.078 4.831 4.740 0.022 0.000 0.182 122 N C -0.571 174.868 175.510 -0.118 0.000 1.076 122 N CA 0.501 53.480 53.050 -0.118 0.000 0.908 122 N CB 0.032 38.484 38.487 -0.058 0.000 0.967 122 N HN 0.416 nan 8.380 nan 0.000 0.449 123 D N -0.178 120.079 120.400 -0.239 0.000 2.329 123 D HA 0.273 4.926 4.640 0.022 0.000 0.246 123 D C -0.320 175.772 176.300 -0.346 0.000 1.111 123 D CA 0.101 53.917 54.000 -0.307 0.000 0.941 123 D CB 0.690 41.309 40.800 -0.300 0.000 1.169 123 D HN 0.073 nan 8.370 nan 0.000 0.441 124 F N -1.269 118.374 119.950 -0.513 0.000 2.693 124 F HA 0.622 5.163 4.527 0.022 0.000 0.309 124 F C -1.224 174.242 175.800 -0.556 0.000 1.129 124 F CA -1.202 56.295 58.000 -0.838 0.000 0.948 124 F CB 0.658 38.775 39.000 -1.472 0.000 1.315 124 F HN 0.299 nan 8.300 nan 0.000 0.447 125 I N -1.901 118.481 120.570 -0.314 0.000 3.457 125 I HA 0.593 4.776 4.170 0.022 0.000 0.307 125 I C -1.038 175.083 176.117 0.007 0.000 1.138 125 I CA -1.044 60.146 61.300 -0.182 0.000 0.974 125 I CB 1.685 39.580 38.000 -0.176 0.000 1.324 125 I HN 0.592 nan 8.210 nan 0.000 0.485 126 D N 2.800 123.195 120.400 -0.009 0.000 2.346 126 D HA 0.023 4.676 4.640 0.022 0.000 0.267 126 D C 0.078 176.389 176.300 0.018 0.000 1.320 126 D CA 0.232 54.248 54.000 0.028 0.000 0.951 126 D CB 0.086 40.881 40.800 -0.008 0.000 1.079 126 D HN 0.675 nan 8.370 nan 0.000 0.509 127 N N 3.278 122.016 118.700 0.064 0.000 2.238 127 N HA 0.001 4.754 4.740 0.022 0.000 0.222 127 N C 0.998 176.501 175.510 -0.013 0.000 1.133 127 N CA -0.218 52.854 53.050 0.036 0.000 0.854 127 N CB 0.355 38.902 38.487 0.100 0.000 1.041 127 N HN 0.404 nan 8.380 nan 0.000 0.510 128 R N -0.029 120.463 120.500 -0.014 0.000 2.167 128 R HA 0.229 4.582 4.340 0.022 0.000 0.195 128 R C -0.273 175.997 176.300 -0.050 0.000 1.027 128 R CA -0.124 55.955 56.100 -0.035 0.000 1.114 128 R CB 0.122 30.415 30.300 -0.012 0.000 1.075 128 R HN -0.010 nan 8.270 nan 0.000 0.538 129 N N 1.107 119.785 118.700 -0.037 0.000 2.482 129 N HA -0.034 4.719 4.740 0.022 0.000 0.260 129 N C -0.832 174.577 175.510 -0.168 0.000 1.236 129 N CA -0.056 52.967 53.050 -0.044 0.000 0.938 129 N CB 0.414 38.914 38.487 0.023 0.000 1.128 129 N HN 0.043 nan 8.380 nan 0.000 0.448 130 F N 1.152 120.814 119.950 -0.480 0.000 2.578 130 F HA -0.010 4.530 4.527 0.022 0.000 0.376 130 F C 0.340 175.809 175.800 -0.553 0.000 1.085 130 F CA -0.181 57.431 58.000 -0.648 0.000 1.260 130 F CB 0.283 38.651 39.000 -1.054 0.000 1.095 130 F HN 0.366 nan 8.300 nan 0.000 0.573 131 D N 5.105 124.810 120.400 -1.158 0.000 2.453 131 D HA 0.467 5.120 4.640 0.022 0.000 0.238 131 D C 0.602 176.262 176.300 -1.067 0.000 1.088 131 D CA 0.037 53.534 54.000 -0.838 0.000 0.854 131 D CB 1.613 42.167 40.800 -0.411 0.000 1.076 131 D HN 0.669 nan 8.370 nan 0.000 0.533 132 A N 3.960 126.263 122.820 -0.862 0.000 1.917 132 A HA -0.219 4.114 4.320 0.022 0.000 0.219 132 A C 1.920 179.399 177.584 -0.175 0.000 1.182 132 A CA 1.290 53.085 52.037 -0.403 0.000 0.633 132 A CB -0.446 18.535 19.000 -0.033 0.000 0.819 132 A HN 0.681 nan 8.150 nan 0.000 0.448 133 E N -0.393 119.709 120.200 -0.163 0.000 2.077 133 E HA -0.160 4.203 4.350 0.022 0.000 0.193 133 E C 2.051 178.606 176.600 -0.074 0.000 0.989 133 E CA 1.845 58.190 56.400 -0.092 0.000 0.800 133 E CB -0.360 29.292 29.700 -0.080 0.000 0.746 133 E HN 0.557 nan 8.360 nan 0.000 0.452 134 T N 1.022 115.514 114.554 -0.102 0.000 2.746 134 T HA -0.146 4.217 4.350 0.022 0.000 0.267 134 T C 1.491 176.229 174.700 0.062 0.000 1.039 134 T CA 1.213 63.295 62.100 -0.030 0.000 1.142 134 T CB -0.473 68.364 68.868 -0.052 0.000 0.866 134 T HN 0.163 nan 8.240 nan 0.000 0.444 135 F N 2.085 121.931 119.950 -0.174 0.000 2.171 135 F HA -0.063 4.478 4.527 0.023 0.000 0.300 135 F C 2.453 178.203 175.800 -0.085 0.000 1.090 135 F CA 0.978 58.924 58.000 -0.091 0.000 1.293 135 F CB -0.698 38.276 39.000 -0.044 0.000 1.013 135 F HN 0.024 nan 8.300 nan 0.000 0.486 136 Q N 0.148 119.895 119.800 -0.088 0.000 2.135 136 Q HA -0.177 4.176 4.340 0.022 0.000 0.204 136 Q C 2.367 178.283 176.000 -0.141 0.000 0.981 136 Q CA 2.589 58.295 55.803 -0.163 0.000 0.856 136 Q CB -0.821 27.869 28.738 -0.080 0.000 0.902 136 Q HN 0.524 nan 8.270 nan 0.000 0.425 137 T N -3.280 111.236 114.554 -0.064 0.000 2.962 137 T HA -0.024 4.339 4.350 0.022 0.000 0.270 137 T C 1.930 176.618 174.700 -0.019 0.000 1.088 137 T CA 1.358 63.441 62.100 -0.027 0.000 1.127 137 T CB -0.203 68.673 68.868 0.014 0.000 0.883 137 T HN 0.101 nan 8.240 nan 0.000 0.493 138 S N 1.058 116.732 115.700 -0.042 0.000 2.371 138 S HA 0.284 4.767 4.470 0.022 0.000 0.221 138 S C 1.889 176.391 174.600 -0.163 0.000 1.036 138 S CA 0.547 58.743 58.200 -0.006 0.000 0.965 138 S CB -0.357 62.906 63.200 0.104 0.000 0.845 138 S HN 0.425 nan 8.310 nan 0.000 0.475 139 L N 1.604 122.598 121.223 -0.383 0.000 2.131 139 L HA -0.132 4.221 4.340 0.022 0.000 0.210 139 L C 1.937 178.695 176.870 -0.186 0.000 1.092 139 L CA 0.910 55.534 54.840 -0.360 0.000 0.759 139 L CB -0.655 41.096 42.059 -0.514 0.000 0.903 139 L HN 0.199 nan 8.230 nan 0.000 0.435 140 D N -0.091 120.223 120.400 -0.143 0.000 2.149 140 D HA -0.153 4.500 4.640 0.022 0.000 0.198 140 D C 2.314 178.574 176.300 -0.067 0.000 0.990 140 D CA 1.108 55.056 54.000 -0.087 0.000 0.839 140 D CB -0.161 40.601 40.800 -0.064 0.000 0.948 140 D HN 0.124 nan 8.370 nan 0.000 0.460 141 V N 0.752 120.625 119.914 -0.069 0.000 2.469 141 V HA -0.177 3.956 4.120 0.022 0.000 0.251 141 V C 1.927 177.979 176.094 -0.071 0.000 1.064 141 V CA 1.562 63.827 62.300 -0.059 0.000 1.066 141 V CB -0.446 31.344 31.823 -0.056 0.000 0.667 141 V HN 0.198 nan 8.190 nan 0.000 0.461 142 V N -2.282 117.576 119.914 -0.094 0.000 2.887 142 V HA 0.736 4.869 4.120 0.022 0.000 0.370 142 V C 0.504 176.581 176.094 -0.028 0.000 1.322 142 V CA -0.544 61.717 62.300 -0.066 0.000 1.267 142 V CB -0.231 31.522 31.823 -0.117 0.000 1.344 142 V HN 0.225 nan 8.190 nan 0.000 0.573 143 A N 0.740 123.539 122.820 -0.035 0.000 2.511 143 A HA 0.534 4.867 4.320 0.022 0.000 0.242 143 A C 1.675 179.257 177.584 -0.004 0.000 1.069 143 A CA 0.921 52.943 52.037 -0.026 0.000 0.763 143 A CB -0.398 18.583 19.000 -0.031 0.000 1.001 143 A HN 2.145 nan 8.150 nan 0.000 0.498 144 G N 1.524 110.325 108.800 0.002 0.000 2.179 144 G HA2 -0.228 3.745 3.960 0.022 0.000 0.260 144 G HA3 -0.228 3.745 3.960 0.022 0.000 0.260 144 G C 0.211 175.128 174.900 0.027 0.000 0.977 144 G CA 0.870 45.978 45.100 0.012 0.000 0.641 144 G HN 0.884 nan 8.290 nan 0.000 0.533 145 K N -0.489 119.936 120.400 0.041 0.000 2.185 145 K HA 0.668 5.001 4.320 0.022 0.000 0.240 145 K C 1.448 178.094 176.600 0.076 0.000 0.983 145 K CA -0.120 56.209 56.287 0.069 0.000 0.873 145 K CB 1.367 33.925 32.500 0.096 0.000 1.118 145 K HN 0.186 nan 8.250 nan 0.000 0.441 146 T N -2.918 111.699 114.554 0.104 0.000 2.990 146 T HA 0.146 4.509 4.350 0.022 0.000 0.249 146 T C 0.207 174.865 174.700 -0.071 0.000 1.039 146 T CA 0.275 62.406 62.100 0.052 0.000 1.036 146 T CB -0.061 68.878 68.868 0.117 0.000 0.994 146 T HN 0.504 nan 8.240 nan 0.000 0.489 147 H N 0.392 119.453 119.070 -0.016 0.000 2.946 147 H HA 0.685 5.254 4.556 0.022 0.000 0.365 147 H C -1.227 174.149 175.328 0.079 0.000 1.197 147 H CA -1.430 54.575 56.048 -0.071 0.000 1.131 147 H CB 1.646 31.327 29.762 -0.134 0.000 1.849 147 H HN 0.353 nan 8.280 nan 0.000 0.555 148 F N -0.916 119.061 119.950 0.045 0.000 2.654 148 F HA 0.570 5.110 4.527 0.022 0.000 0.308 148 F C -1.318 174.520 175.800 0.062 0.000 1.108 148 F CA -1.130 56.884 58.000 0.024 0.000 0.957 148 F CB 1.164 40.155 39.000 -0.016 0.000 1.309 148 F HN 0.538 nan 8.300 nan 0.000 0.446 149 D N 0.390 121.001 120.400 0.352 0.000 2.616 149 D HA 0.282 4.935 4.640 0.022 0.000 0.260 149 D C 0.686 177.244 176.300 0.431 0.000 1.158 149 D CA -0.434 53.708 54.000 0.236 0.000 1.085 149 D CB 0.075 40.907 40.800 0.053 0.000 1.222 149 D HN 0.463 nan 8.370 nan 0.000 0.626 150 Y N -0.226 120.177 120.300 0.173 0.000 2.151 150 Y HA -0.080 4.482 4.550 0.021 0.000 0.284 150 Y C 2.671 178.651 175.900 0.133 0.000 1.166 150 Y CA 1.607 59.737 58.100 0.051 0.000 1.163 150 Y CB -1.279 37.088 38.460 -0.154 0.000 0.974 150 Y HN 0.537 nan 8.280 nan 0.000 0.511 151 A N 0.094 123.073 122.820 0.266 0.000 1.902 151 A HA -0.190 4.143 4.320 0.022 0.000 0.217 151 A C 2.035 179.716 177.584 0.161 0.000 1.181 151 A CA 1.989 54.129 52.037 0.171 0.000 0.623 151 A CB -0.715 18.357 19.000 0.120 0.000 0.818 151 A HN 0.400 nan 8.150 nan 0.000 0.443 152 D N -0.882 119.633 120.400 0.191 0.000 2.117 152 D HA -0.155 4.498 4.640 0.022 0.000 0.197 152 D C 1.828 178.157 176.300 0.049 0.000 0.987 152 D CA 1.761 55.822 54.000 0.103 0.000 0.829 152 D CB -0.367 40.502 40.800 0.114 0.000 0.961 152 D HN 0.419 nan 8.370 nan 0.000 0.460 153 M N 1.331 121.056 119.600 0.208 0.000 2.159 153 M HA -0.152 4.341 4.480 0.022 0.000 0.263 153 M C 1.508 177.934 176.300 0.209 0.000 1.063 153 M CA 1.287 56.709 55.300 0.204 0.000 1.110 153 M CB -0.459 32.470 32.600 0.548 0.000 1.374 153 M HN -0.168 nan 8.290 nan 0.000 0.411 154 N N 0.072 118.891 118.700 0.199 0.000 2.166 154 N HA -0.158 4.595 4.740 0.022 0.000 0.186 154 N C 1.512 177.092 175.510 0.116 0.000 1.019 154 N CA 1.441 54.581 53.050 0.151 0.000 0.856 154 N CB -0.136 38.418 38.487 0.111 0.000 0.993 154 N HN 0.400 nan 8.380 nan 0.000 0.426 155 E N 0.397 120.650 120.200 0.089 0.000 2.077 155 E HA -0.110 4.253 4.350 0.022 0.000 0.193 155 E C 2.168 178.813 176.600 0.075 0.000 0.989 155 E CA 0.654 57.090 56.400 0.059 0.000 0.800 155 E CB -0.257 29.462 29.700 0.031 0.000 0.746 155 E HN 0.506 nan 8.360 nan 0.000 0.452 156 I N 1.241 121.861 120.570 0.083 0.000 2.127 156 I HA -0.328 3.855 4.170 0.022 0.000 0.241 156 I C 2.624 178.912 176.117 0.284 0.000 1.075 156 I CA 1.770 63.160 61.300 0.150 0.000 1.334 156 I CB -0.357 37.706 38.000 0.104 0.000 1.040 156 I HN 0.090 nan 8.210 nan 0.000 0.405 157 R N 1.577 122.288 120.500 0.352 0.000 2.152 157 R HA -0.114 4.239 4.340 0.022 0.000 0.232 157 R C 1.962 178.336 176.300 0.123 0.000 1.117 157 R CA 1.434 57.714 56.100 0.300 0.000 0.981 157 R CB -0.985 29.495 30.300 0.299 0.000 0.870 157 R HN 0.319 nan 8.270 nan 0.000 0.451 158 L N 0.368 121.648 121.223 0.095 0.000 2.072 158 L HA -0.099 4.254 4.340 0.022 0.000 0.205 158 L C 2.949 179.837 176.870 0.030 0.000 1.079 158 L CA 1.735 56.597 54.840 0.036 0.000 0.752 158 L CB -0.476 41.601 42.059 0.031 0.000 0.906 158 L HN 0.385 nan 8.230 nan 0.000 0.436 159 Q N -0.219 119.616 119.800 0.058 0.000 2.084 159 Q HA -0.197 4.156 4.340 0.022 0.000 0.202 159 Q C 2.361 178.397 176.000 0.061 0.000 0.978 159 Q CA 1.345 57.176 55.803 0.047 0.000 0.844 159 Q CB 0.128 28.898 28.738 0.053 0.000 0.898 159 Q HN 0.218 nan 8.270 nan 0.000 0.426 160 R N 0.543 121.111 120.500 0.112 0.000 2.096 160 R HA -0.101 4.252 4.340 0.022 0.000 0.235 160 R C 2.003 178.381 176.300 0.130 0.000 1.127 160 R CA 1.545 57.732 56.100 0.145 0.000 0.968 160 R CB -0.384 30.038 30.300 0.204 0.000 0.861 160 R HN 0.534 nan 8.270 nan 0.000 0.440 161 E N 0.211 120.435 120.200 0.040 0.000 2.072 161 E HA -0.126 4.237 4.350 0.022 0.000 0.191 161 E C 1.956 178.468 176.600 -0.147 0.000 0.985 161 E CA 1.245 57.629 56.400 -0.027 0.000 0.801 161 E CB -0.091 29.519 29.700 -0.149 0.000 0.750 161 E HN 0.166 nan 8.360 nan 0.000 0.452 162 S N 0.833 116.471 115.700 -0.103 0.000 2.348 162 S HA -0.144 4.339 4.470 0.022 0.000 0.221 162 S C 2.073 176.594 174.600 -0.131 0.000 1.033 162 S CA 0.887 59.010 58.200 -0.129 0.000 1.010 162 S CB -0.235 62.925 63.200 -0.066 0.000 0.891 162 S HN 0.153 nan 8.310 nan 0.000 0.442 163 L N 0.968 122.157 121.223 -0.056 0.000 1.989 163 L HA -0.109 4.244 4.340 0.022 0.000 0.211 163 L C 2.862 179.713 176.870 -0.031 0.000 1.071 163 L CA 1.655 56.478 54.840 -0.027 0.000 0.749 163 L CB -0.679 41.392 42.059 0.020 0.000 0.890 163 L HN 0.321 nan 8.230 nan 0.000 0.431 164 S N -0.281 115.423 115.700 0.007 0.000 2.368 164 S HA -0.200 4.283 4.470 0.022 0.000 0.225 164 S C 1.743 176.256 174.600 -0.146 0.000 1.030 164 S CA 1.599 59.855 58.200 0.093 0.000 0.999 164 S CB -0.456 62.999 63.200 0.426 0.000 0.844 164 S HN 0.420 nan 8.310 nan 0.000 0.459 165 N N 1.258 119.547 118.700 -0.685 0.000 2.223 165 N HA -0.120 4.633 4.740 0.022 0.000 0.185 165 N C 1.528 176.867 175.510 -0.285 0.000 1.016 165 N CA 1.322 53.854 53.050 -0.863 0.000 0.863 165 N CB -0.085 37.839 38.487 -0.940 0.000 0.983 165 N HN 0.530 nan 8.380 nan 0.000 0.429 166 E N -0.699 119.392 120.200 -0.183 0.000 2.140 166 E HA 0.023 4.386 4.350 0.022 0.000 0.191 166 E C 1.750 178.327 176.600 -0.037 0.000 0.973 166 E CA 0.479 56.824 56.400 -0.091 0.000 0.829 166 E CB 0.093 29.747 29.700 -0.077 0.000 0.781 166 E HN 0.367 nan 8.360 nan 0.000 0.466 167 L N 1.106 122.325 121.223 -0.007 0.000 2.270 167 L HA 0.018 4.371 4.340 0.022 0.000 0.210 167 L C 0.386 177.303 176.870 0.078 0.000 1.104 167 L CA 0.115 54.972 54.840 0.028 0.000 0.804 167 L CB -0.036 42.043 42.059 0.033 0.000 0.937 167 L HN -0.044 nan 8.230 nan 0.000 0.450 168 D N 0.318 120.806 120.400 0.147 0.000 2.399 168 D HA 0.023 4.676 4.640 0.022 0.000 0.241 168 D C -0.217 176.230 176.300 0.245 0.000 1.133 168 D CA -0.137 54.018 54.000 0.258 0.000 0.890 168 D CB 0.575 41.668 40.800 0.488 0.000 1.201 168 D HN -0.190 nan 8.370 nan 0.000 0.432 169 F N 2.162 122.191 119.950 0.133 0.000 2.629 169 F HA 0.092 4.632 4.527 0.022 0.000 0.377 169 F C -1.715 174.207 175.800 0.203 0.000 1.101 169 F CA -1.306 56.766 58.000 0.120 0.000 1.301 169 F CB 0.303 39.344 39.000 0.069 0.000 1.062 169 F HN 0.157 nan 8.300 nan 0.000 0.583 170 P HA 0.113 nan 4.420 nan 0.000 0.258 170 P C 0.343 177.762 177.300 0.198 0.000 1.172 170 P CA 1.753 64.799 63.100 -0.091 0.000 0.762 170 P CB 0.169 31.692 31.700 -0.294 0.000 0.764 171 G N 2.613 111.560 108.800 0.245 0.000 2.213 171 G HA2 -0.247 3.726 3.960 0.022 0.000 0.236 171 G HA3 -0.247 3.726 3.960 0.022 0.000 0.236 171 G C 0.902 176.020 174.900 0.363 0.000 0.991 171 G CA 0.037 45.305 45.100 0.280 0.000 0.629 171 G HN 0.555 nan 8.290 nan 0.000 0.517 172 W N 0.826 122.309 121.300 0.304 0.000 2.488 172 W HA 0.378 5.050 4.660 0.021 0.000 0.304 172 W C 1.025 177.764 176.519 0.366 0.000 1.175 172 W CA 0.663 58.207 57.345 0.331 0.000 1.365 172 W CB -0.236 29.402 29.460 0.296 0.000 1.131 172 W HN 0.174 nan 8.180 nan 0.000 0.520 173 F N 3.364 123.432 119.950 0.196 0.000 2.604 173 F HA -0.019 4.521 4.527 0.022 0.000 0.390 173 F C -0.353 175.415 175.800 -0.052 0.000 1.053 173 F CA 1.565 59.626 58.000 0.103 0.000 1.256 173 F CB 0.628 39.726 39.000 0.164 0.000 0.996 173 F HN -0.340 nan 8.300 nan 0.000 0.564 174 T N 6.259 120.281 114.554 -0.887 0.000 3.031 174 T HA 0.132 4.495 4.350 0.022 0.000 0.305 174 T C -0.724 173.495 174.700 -0.801 0.000 0.985 174 T CA -0.774 60.890 62.100 -0.726 0.000 1.008 174 T CB 1.137 69.524 68.868 -0.801 0.000 1.005 174 T HN 0.664 nan 8.240 nan 0.000 0.444 175 E N 1.682 121.564 120.200 -0.529 0.000 2.398 175 E HA 0.289 4.652 4.350 0.022 0.000 0.263 175 E C -0.330 176.227 176.600 -0.072 0.000 1.046 175 E CA -0.053 56.239 56.400 -0.179 0.000 0.908 175 E CB 0.532 30.227 29.700 -0.008 0.000 0.963 175 E HN 0.524 nan 8.360 nan 0.000 0.431 176 S N 3.598 119.370 115.700 0.121 0.000 2.359 176 S HA 0.189 4.672 4.470 0.022 0.000 0.148 176 S C 0.367 174.925 174.600 -0.071 0.000 1.610 176 S CA -0.566 57.591 58.200 -0.071 0.000 1.274 176 S CB 0.177 63.261 63.200 -0.193 0.000 1.380 176 S HN 0.536 nan 8.310 nan 0.000 0.380 177 K N 1.571 121.959 120.400 -0.021 0.000 2.057 177 K HA -0.033 4.300 4.320 0.022 0.000 0.207 177 K C -1.130 175.437 176.600 -0.056 0.000 1.049 177 K CA 1.525 57.799 56.287 -0.022 0.000 0.931 177 K CB -0.783 31.706 32.500 -0.019 0.000 0.714 177 K HN 0.413 nan 8.250 nan 0.000 0.440 178 P HA -0.156 nan 4.420 nan 0.000 0.214 178 P C 1.354 178.605 177.300 -0.081 0.000 1.163 178 P CA 1.299 64.356 63.100 -0.072 0.000 0.883 178 P CB 0.025 31.680 31.700 -0.075 0.000 0.788 179 I N -0.990 119.514 120.570 -0.110 0.000 2.233 179 I HA -0.236 3.947 4.170 0.022 0.000 0.243 179 I C 2.759 178.811 176.117 -0.107 0.000 1.093 179 I CA 1.323 62.579 61.300 -0.072 0.000 1.380 179 I CB -0.743 37.261 38.000 0.006 0.000 1.067 179 I HN -0.023 nan 8.210 nan 0.000 0.413 180 Q N 1.433 121.049 119.800 -0.306 0.000 2.096 180 Q HA -0.217 4.136 4.340 0.022 0.000 0.204 180 Q C 1.767 177.807 176.000 0.067 0.000 0.982 180 Q CA 1.784 57.481 55.803 -0.176 0.000 0.850 180 Q CB -0.023 28.596 28.738 -0.197 0.000 0.901 180 Q HN 0.469 nan 8.270 nan 0.000 0.422 181 N N -0.339 118.382 118.700 0.035 0.000 2.494 181 N HA -0.058 4.695 4.740 0.022 0.000 0.182 181 N C 1.475 176.999 175.510 0.023 0.000 1.076 181 N CA 0.648 53.749 53.050 0.086 0.000 0.908 181 N CB 0.399 38.923 38.487 0.063 0.000 0.967 181 N HN 0.138 nan 8.380 nan 0.000 0.449 182 V N 1.400 121.264 119.914 -0.082 0.000 2.488 182 V HA -0.139 3.994 4.120 0.022 0.000 0.246 182 V C 1.933 177.730 176.094 -0.494 0.000 1.046 182 V CA 1.421 63.558 62.300 -0.272 0.000 1.053 182 V CB -0.247 31.388 31.823 -0.313 0.000 0.679 182 V HN 0.211 nan 8.190 nan 0.000 0.458 183 E N -0.087 119.985 120.200 -0.214 0.000 2.150 183 E HA -0.147 4.216 4.350 0.022 0.000 0.193 183 E C 2.382 179.209 176.600 0.379 0.000 0.985 183 E CA 1.378 57.841 56.400 0.105 0.000 0.814 183 E CB -0.145 29.802 29.700 0.412 0.000 0.752 183 E HN 0.486 nan 8.360 nan 0.000 0.466 184 S N 0.172 116.099 115.700 0.379 0.000 2.356 184 S HA -0.137 4.346 4.470 0.022 0.000 0.223 184 S C 2.064 176.949 174.600 0.474 0.000 1.032 184 S CA 1.106 59.574 58.200 0.446 0.000 1.005 184 S CB -0.537 62.923 63.200 0.433 0.000 0.867 184 S HN 0.498 nan 8.310 nan 0.000 0.449 185 G N 1.010 110.009 108.800 0.333 0.000 2.422 185 G HA2 -0.162 3.811 3.960 0.022 0.000 0.218 185 G HA3 -0.162 3.811 3.960 0.022 0.000 0.218 185 G C 1.096 176.340 174.900 0.575 0.000 1.146 185 G CA 0.574 45.906 45.100 0.388 0.000 0.769 185 G HN 0.398 nan 8.290 nan 0.000 0.547 186 F N 1.156 121.354 119.950 0.413 0.000 2.095 186 F HA 0.008 4.549 4.527 0.024 0.000 0.298 186 F C 2.704 178.772 175.800 0.447 0.000 1.104 186 F CA 0.074 58.320 58.000 0.410 0.000 1.232 186 F CB -0.878 38.382 39.000 0.434 0.000 0.987 186 F HN 0.096 nan 8.300 nan 0.000 0.475 187 I N -1.374 119.569 120.570 0.622 0.000 2.163 187 I HA -0.345 3.838 4.170 0.022 0.000 0.243 187 I C 2.382 178.617 176.117 0.196 0.000 1.085 187 I CA 1.471 62.994 61.300 0.371 0.000 1.347 187 I CB -0.667 37.296 38.000 -0.062 0.000 1.044 187 I HN -0.037 nan 8.210 nan 0.000 0.408 188 F N 0.882 120.994 119.950 0.270 0.000 2.234 188 F HA -0.164 4.376 4.527 0.020 0.000 0.299 188 F C 2.580 178.635 175.800 0.425 0.000 1.087 188 F CA 1.319 59.491 58.000 0.287 0.000 1.340 188 F CB -0.624 38.582 39.000 0.343 0.000 1.031 188 F HN -0.002 nan 8.300 nan 0.000 0.500 189 A N -0.527 122.676 122.820 0.639 0.000 1.898 189 A HA -0.128 4.205 4.320 0.022 0.000 0.216 189 A C 2.056 179.714 177.584 0.123 0.000 1.181 189 A CA 1.555 53.742 52.037 0.250 0.000 0.620 189 A CB -0.837 18.352 19.000 0.314 0.000 0.819 189 A HN 0.346 nan 8.150 nan 0.000 0.442 190 L N -0.269 121.085 121.223 0.218 0.000 2.145 190 L HA 0.064 4.417 4.340 0.022 0.000 0.201 190 L C 1.705 178.746 176.870 0.285 0.000 1.075 190 L CA 1.857 56.798 54.840 0.167 0.000 0.773 190 L CB 0.245 42.283 42.059 -0.035 0.000 0.936 190 L HN 0.319 nan 8.230 nan 0.000 0.451 191 V N -2.435 117.633 119.914 0.258 0.000 3.121 191 V HA 0.385 4.518 4.120 0.022 0.000 0.344 191 V C 0.610 176.848 176.094 0.240 0.000 1.390 191 V CA -0.016 62.490 62.300 0.344 0.000 1.177 191 V CB -1.124 30.911 31.823 0.353 0.000 1.163 191 V HN 0.360 nan 8.190 nan 0.000 0.484 192 S N -0.261 115.539 115.700 0.166 0.000 2.603 192 S HA 0.315 4.798 4.470 0.022 0.000 0.268 192 S C -0.048 174.565 174.600 0.021 0.000 1.317 192 S CA -0.256 57.987 58.200 0.071 0.000 1.012 192 S CB 1.335 64.681 63.200 0.243 0.000 0.926 192 S HN 0.427 nan 8.310 nan 0.000 0.539 193 D N 1.699 122.031 120.400 -0.113 0.000 2.383 193 D HA 0.159 4.812 4.640 0.022 0.000 0.245 193 D C 0.648 176.862 176.300 -0.143 0.000 1.263 193 D CA -0.758 53.075 54.000 -0.277 0.000 0.936 193 D CB -0.308 40.370 40.800 -0.203 0.000 1.053 193 D HN 0.544 nan 8.370 nan 0.000 0.507 194 F N 1.963 121.981 119.950 0.113 0.000 2.699 194 F HA 0.105 4.646 4.527 0.022 0.000 0.298 194 F C 1.295 177.127 175.800 0.052 0.000 1.154 194 F CA -0.093 57.936 58.000 0.049 0.000 1.457 194 F CB -1.068 37.911 39.000 -0.035 0.000 1.106 194 F HN 0.183 nan 8.300 nan 0.000 0.585 195 N N 0.355 119.162 118.700 0.179 0.000 2.446 195 N HA 0.111 4.864 4.740 0.022 0.000 0.179 195 N C 0.186 175.748 175.510 0.087 0.000 1.054 195 N CA 0.004 53.161 53.050 0.179 0.000 0.905 195 N CB 0.104 38.662 38.487 0.118 0.000 0.973 195 N HN 0.240 nan 8.380 nan 0.000 0.448 196 L N 1.014 122.263 121.223 0.044 0.000 2.371 196 L HA 0.199 4.552 4.340 0.022 0.000 0.272 196 L C -1.241 175.654 176.870 0.042 0.000 1.124 196 L CA -1.617 53.230 54.840 0.012 0.000 0.816 196 L CB 0.707 42.746 42.059 -0.033 0.000 1.129 196 L HN -0.147 nan 8.230 nan 0.000 0.448 197 P HA -0.194 nan 4.420 nan 0.000 0.216 197 P C 0.222 177.546 177.300 0.040 0.000 1.157 197 P CA 1.334 64.454 63.100 0.033 0.000 0.880 197 P CB 0.070 31.781 31.700 0.017 0.000 0.791 198 D N -1.930 118.488 120.400 0.031 0.000 2.894 198 D HA -0.008 4.645 4.640 0.022 0.000 0.273 198 D C 0.808 177.141 176.300 0.055 0.000 1.328 198 D CA -0.421 53.602 54.000 0.039 0.000 0.845 198 D CB -1.618 39.195 40.800 0.021 0.000 1.072 198 D HN 0.140 nan 8.370 nan 0.000 0.484 199 N N 1.086 119.836 118.700 0.083 0.000 2.205 199 N HA -0.199 4.554 4.740 0.022 0.000 0.186 199 N C 0.323 175.951 175.510 0.196 0.000 1.015 199 N CA 1.067 54.191 53.050 0.125 0.000 0.862 199 N CB 0.210 38.790 38.487 0.155 0.000 0.986 199 N HN 0.039 nan 8.380 nan 0.000 0.429 200 D N 0.351 120.865 120.400 0.191 0.000 2.224 200 D HA -0.115 4.538 4.640 0.022 0.000 0.205 200 D C 1.868 178.267 176.300 0.165 0.000 0.965 200 D CA 0.888 55.044 54.000 0.261 0.000 0.852 200 D CB -0.051 40.871 40.800 0.203 0.000 0.947 200 D HN 0.624 nan 8.370 nan 0.000 0.494 201 E N -0.641 119.612 120.200 0.089 0.000 2.251 201 E HA -0.003 4.360 4.350 0.022 0.000 0.194 201 E C 0.490 177.098 176.600 0.013 0.000 0.964 201 E CA 0.296 56.722 56.400 0.043 0.000 0.868 201 E CB 0.139 29.859 29.700 0.034 0.000 0.828 201 E HN 0.009 nan 8.360 nan 0.000 0.481 202 N N 2.020 120.713 118.700 -0.012 0.000 2.752 202 N HA 0.204 4.957 4.740 0.022 0.000 0.260 202 N C -2.731 172.703 175.510 -0.127 0.000 1.562 202 N CA -1.363 51.629 53.050 -0.096 0.000 0.788 202 N CB 1.632 40.082 38.487 -0.061 0.000 1.192 202 N HN -0.020 nan 8.380 nan 0.000 0.503 203 P HA 0.153 nan 4.420 nan 0.000 0.271 203 P C -0.601 176.676 177.300 -0.039 0.000 1.216 203 P CA -0.061 63.034 63.100 -0.008 0.000 0.771 203 P CB 1.365 33.183 31.700 0.197 0.000 0.864 204 L N 3.254 124.484 121.223 0.011 0.000 2.349 204 L HA 0.359 4.712 4.340 0.022 0.000 0.278 204 L C 0.237 176.993 176.870 -0.190 0.000 0.996 204 L CA -1.350 53.462 54.840 -0.047 0.000 0.825 204 L CB 2.150 44.201 42.059 -0.014 0.000 1.243 204 L HN 0.101 nan 8.230 nan 0.000 0.412 205 V N 3.566 123.112 119.914 -0.612 0.000 2.637 205 V HA 0.185 4.318 4.120 0.022 0.000 0.296 205 V C 0.608 176.269 176.094 -0.722 0.000 1.046 205 V CA -0.262 61.513 62.300 -0.876 0.000 1.066 205 V CB 1.055 31.805 31.823 -1.788 0.000 0.968 205 V HN 0.667 nan 8.190 nan 0.000 0.483 206 R N 3.902 124.054 120.500 -0.580 0.000 2.202 206 R HA 0.381 4.734 4.340 0.022 0.000 0.334 206 R C 0.977 177.096 176.300 -0.302 0.000 1.036 206 R CA -0.341 55.304 56.100 -0.758 0.000 0.878 206 R CB 0.733 30.324 30.300 -1.182 0.000 1.067 206 R HN 0.672 nan 8.270 nan 0.000 0.457 207 I N 2.331 122.798 120.570 -0.172 0.000 2.286 207 I HA -0.330 3.853 4.170 0.022 0.000 0.248 207 I C 1.857 178.083 176.117 0.182 0.000 1.115 207 I CA 1.305 62.704 61.300 0.166 0.000 1.392 207 I CB -0.252 37.860 38.000 0.187 0.000 1.065 207 I HN 0.669 nan 8.210 nan 0.000 0.418 208 D N 0.352 120.783 120.400 0.051 0.000 2.178 208 D HA -0.243 4.410 4.640 0.022 0.000 0.201 208 D C 1.867 178.380 176.300 0.355 0.000 0.980 208 D CA 1.208 55.303 54.000 0.158 0.000 0.842 208 D CB -0.695 40.162 40.800 0.095 0.000 0.948 208 D HN 0.348 nan 8.370 nan 0.000 0.472 209 W N 0.317 121.676 121.300 0.098 0.000 2.381 209 W HA 0.039 4.713 4.660 0.024 0.000 0.301 209 W C 2.146 178.818 176.519 0.256 0.000 1.205 209 W CA -0.479 56.919 57.345 0.088 0.000 1.285 209 W CB -1.520 27.939 29.460 -0.002 0.000 1.133 209 W HN 0.113 nan 8.180 nan 0.000 0.521 210 W N 1.583 123.061 121.300 0.296 0.000 2.355 210 W HA -0.183 4.489 4.660 0.021 0.000 0.309 210 W C 2.157 178.793 176.519 0.195 0.000 1.206 210 W CA 1.913 59.380 57.345 0.204 0.000 1.284 210 W CB -0.647 28.853 29.460 0.065 0.000 1.145 210 W HN -0.139 nan 8.180 nan 0.000 0.502 211 K N -1.325 119.236 120.400 0.269 0.000 2.026 211 K HA -0.267 4.066 4.320 0.022 0.000 0.208 211 K C 2.090 178.787 176.600 0.162 0.000 1.048 211 K CA 1.935 58.336 56.287 0.190 0.000 0.929 211 K CB -1.003 31.606 32.500 0.183 0.000 0.713 211 K HN 0.112 nan 8.250 nan 0.000 0.439 212 Y N 0.360 120.739 120.300 0.132 0.000 2.097 212 Y HA -0.309 4.254 4.550 0.021 0.000 0.282 212 Y C 2.228 178.175 175.900 0.079 0.000 1.152 212 Y CA 1.790 59.944 58.100 0.089 0.000 1.136 212 Y CB -0.481 38.046 38.460 0.113 0.000 0.975 212 Y HN 0.264 nan 8.280 nan 0.000 0.498 213 W N 0.229 121.659 121.300 0.218 0.000 2.317 213 W HA -0.297 4.376 4.660 0.022 0.000 0.318 213 W C 1.929 178.482 176.519 0.056 0.000 1.227 213 W CA 2.071 59.477 57.345 0.101 0.000 1.269 213 W CB -1.440 28.093 29.460 0.122 0.000 1.155 213 W HN 0.122 nan 8.180 nan 0.000 0.484 214 F N 0.915 120.563 119.950 -0.503 0.000 2.102 214 F HA -0.176 4.364 4.527 0.021 0.000 0.298 214 F C 2.666 177.823 175.800 -1.072 0.000 1.105 214 F CA 2.384 59.839 58.000 -0.907 0.000 1.239 214 F CB -1.289 36.947 39.000 -1.274 0.000 0.991 214 F HN -0.201 nan 8.300 nan 0.000 0.474 215 T N -0.435 113.672 114.554 -0.745 0.000 2.770 215 T HA -0.117 4.246 4.350 0.022 0.000 0.263 215 T C 1.685 176.094 174.700 -0.484 0.000 1.039 215 T CA 1.426 62.978 62.100 -0.913 0.000 1.142 215 T CB -0.212 68.421 68.868 -0.392 0.000 0.868 215 T HN 0.091 nan 8.240 nan 0.000 0.435 216 N N 0.646 119.137 118.700 -0.349 0.000 2.415 216 N HA 0.044 4.797 4.740 0.022 0.000 0.176 216 N C 0.105 175.540 175.510 -0.125 0.000 1.042 216 N CA 0.197 53.074 53.050 -0.288 0.000 0.902 216 N CB 0.026 38.200 38.487 -0.523 0.000 0.986 216 N HN 0.488 nan 8.380 nan 0.000 0.447 217 E N -0.136 120.018 120.200 -0.077 0.000 2.320 217 E HA -0.172 4.191 4.350 0.022 0.000 0.234 217 E C -0.799 175.828 176.600 0.044 0.000 1.183 217 E CA 0.314 56.726 56.400 0.020 0.000 0.713 217 E CB -1.306 28.423 29.700 0.048 0.000 1.226 217 E HN 0.137 nan 8.360 nan 0.000 0.382 218 S N -1.012 114.671 115.700 -0.029 0.000 2.672 218 S HA 0.696 5.179 4.470 0.022 0.000 0.271 218 S C -1.407 173.003 174.600 -0.316 0.000 1.171 218 S CA -0.885 57.228 58.200 -0.146 0.000 0.817 218 S CB 0.863 64.130 63.200 0.111 0.000 1.150 218 S HN 0.168 nan 8.310 nan 0.000 0.478 219 F N 2.738 122.734 119.950 0.076 0.000 2.394 219 F HA 0.423 4.962 4.527 0.021 0.000 0.340 219 F C -1.568 173.907 175.800 -0.541 0.000 1.105 219 F CA -2.114 55.654 58.000 -0.388 0.000 1.124 219 F CB 0.743 39.465 39.000 -0.464 0.000 1.145 219 F HN 0.275 nan 8.300 nan 0.000 0.505 220 P HA -0.020 nan 4.420 nan 0.000 0.249 220 P C 0.377 177.366 177.300 -0.518 0.000 1.686 220 P CA 0.359 62.841 63.100 -1.030 0.000 0.873 220 P CB -0.501 30.723 31.700 -0.794 0.000 1.828 221 Y N 0.424 120.570 120.300 -0.258 0.000 2.224 221 Y HA -0.197 4.364 4.550 0.020 0.000 0.289 221 Y C 2.571 178.458 175.900 -0.021 0.000 1.146 221 Y CA 1.571 59.644 58.100 -0.047 0.000 1.182 221 Y CB -0.909 37.537 38.460 -0.023 0.000 0.983 221 Y HN 0.292 nan 8.280 nan 0.000 0.524 222 H N -1.466 117.682 119.070 0.130 0.000 2.518 222 H HA -0.062 4.507 4.556 0.023 0.000 0.289 222 H C 1.481 176.896 175.328 0.144 0.000 1.051 222 H CA 0.911 57.040 56.048 0.134 0.000 1.280 222 H CB -0.062 29.781 29.762 0.135 0.000 1.380 222 H HN 0.231 nan 8.280 nan 0.000 0.566 223 L N -0.696 120.655 121.223 0.212 0.000 2.628 223 L HA 0.241 4.594 4.340 0.022 0.000 0.229 223 L C 1.626 178.796 176.870 0.501 0.000 1.137 223 L CA 0.830 55.876 54.840 0.344 0.000 0.909 223 L CB -0.004 42.308 42.059 0.422 0.000 1.137 223 L HN 0.445 nan 8.230 nan 0.000 0.470 224 G N -2.012 107.003 108.800 0.358 0.000 2.176 224 G HA2 -0.326 3.647 3.960 0.022 0.000 0.232 224 G HA3 -0.326 3.647 3.960 0.022 0.000 0.232 224 G C 0.168 175.234 174.900 0.278 0.000 0.986 224 G CA 0.060 45.396 45.100 0.393 0.000 0.643 224 G HN 0.291 nan 8.290 nan 0.000 0.522 225 W N 2.500 123.555 121.300 -0.408 0.000 2.126 225 W HA 0.592 5.263 4.660 0.018 0.000 0.346 225 W C 0.577 176.766 176.519 -0.550 0.000 1.279 225 W CA 1.008 57.729 57.345 -1.041 0.000 1.259 225 W CB 0.480 28.933 29.460 -1.678 0.000 1.133 225 W HN 0.663 nan 8.180 nan 0.000 0.592 226 H N 1.143 119.284 119.070 -1.549 0.000 3.068 226 H HA 0.483 5.051 4.556 0.021 0.000 0.342 226 H C -2.959 170.995 175.328 -2.289 0.000 1.284 226 H CA -2.602 52.460 56.048 -1.644 0.000 1.181 226 H CB 0.674 29.755 29.762 -1.136 0.000 1.898 226 H HN 0.079 nan 8.280 nan 0.000 0.540 227 P HA 0.062 nan 4.420 nan 0.000 0.264 227 P C -2.432 174.469 177.300 -0.664 0.000 1.183 227 P CA -0.577 61.933 63.100 -0.983 0.000 0.763 227 P CB 0.026 31.433 31.700 -0.490 0.000 0.807 228 P HA 0.001 nan 4.420 nan 0.000 0.268 228 P C -0.510 176.637 177.300 -0.255 0.000 1.205 228 P CA 0.466 63.336 63.100 -0.384 0.000 0.771 228 P CB 0.605 32.174 31.700 -0.218 0.000 0.858 229 S N 2.653 118.227 115.700 -0.211 0.000 2.672 229 S HA 0.527 5.010 4.470 0.022 0.000 0.291 229 S C -2.246 172.302 174.600 -0.086 0.000 1.145 229 S CA -1.222 56.912 58.200 -0.110 0.000 1.013 229 S CB 0.337 63.524 63.200 -0.022 0.000 1.017 229 S HN 0.334 nan 8.310 nan 0.000 0.487 230 P HA 0.412 nan 4.420 nan 0.000 0.273 230 P C -0.451 176.800 177.300 -0.082 0.000 1.250 230 P CA -0.562 62.498 63.100 -0.068 0.000 0.793 230 P CB 0.328 32.001 31.700 -0.045 0.000 1.011 231 A N 2.198 124.974 122.820 -0.073 0.000 2.540 231 A HA 0.087 4.420 4.320 0.022 0.000 0.239 231 A C 0.779 178.326 177.584 -0.061 0.000 1.061 231 A CA -0.217 51.777 52.037 -0.072 0.000 0.758 231 A CB -0.181 18.788 19.000 -0.051 0.000 0.991 231 A HN 0.407 nan 8.150 nan 0.000 0.502 232 R N 1.939 122.389 120.500 -0.083 0.000 2.623 232 R HA 0.178 4.531 4.340 0.022 0.000 0.271 232 R C -0.030 176.274 176.300 0.008 0.000 1.043 232 R CA 0.156 56.204 56.100 -0.086 0.000 1.083 232 R CB 0.282 30.496 30.300 -0.144 0.000 0.974 232 R HN 0.748 nan 8.270 nan 0.000 0.436 233 E N 1.274 121.513 120.200 0.065 0.000 2.264 233 E HA 0.105 4.468 4.350 0.022 0.000 0.260 233 E C 1.153 177.852 176.600 0.164 0.000 0.961 233 E CA -0.934 55.524 56.400 0.098 0.000 0.834 233 E CB 1.322 31.073 29.700 0.086 0.000 1.230 233 E HN 0.302 nan 8.360 nan 0.000 0.412 234 I N 1.530 122.187 120.570 0.145 0.000 2.315 234 I HA -0.286 3.897 4.170 0.022 0.000 0.251 234 I C 1.591 177.808 176.117 0.168 0.000 1.125 234 I CA 1.647 63.048 61.300 0.168 0.000 1.392 234 I CB -0.056 38.019 38.000 0.125 0.000 1.065 234 I HN 0.441 nan 8.210 nan 0.000 0.424 235 E N -0.100 120.189 120.200 0.148 0.000 2.070 235 E HA -0.286 4.077 4.350 0.022 0.000 0.197 235 E C 2.025 178.722 176.600 0.160 0.000 1.004 235 E CA 1.885 58.361 56.400 0.126 0.000 0.805 235 E CB -0.673 29.094 29.700 0.112 0.000 0.744 235 E HN 0.587 nan 8.360 nan 0.000 0.451 236 F N 0.380 120.377 119.950 0.080 0.000 2.102 236 F HA -0.218 4.322 4.527 0.022 0.000 0.298 236 F C 2.030 177.899 175.800 0.116 0.000 1.105 236 F CA 1.086 59.145 58.000 0.099 0.000 1.239 236 F CB -0.283 38.790 39.000 0.121 0.000 0.991 236 F HN -0.132 nan 8.300 nan 0.000 0.474 237 V N 0.287 120.456 119.914 0.425 0.000 2.295 237 V HA -0.338 3.795 4.120 0.022 0.000 0.246 237 V C 2.611 178.772 176.094 0.112 0.000 1.049 237 V CA 2.490 64.988 62.300 0.330 0.000 1.024 237 V CB -1.458 30.596 31.823 0.384 0.000 0.648 237 V HN 0.622 nan 8.190 nan 0.000 0.447 238 T N -2.961 111.634 114.554 0.068 0.000 2.904 238 T HA -0.166 4.197 4.350 0.022 0.000 0.267 238 T C 2.028 176.684 174.700 -0.074 0.000 1.059 238 T CA 1.598 63.695 62.100 -0.005 0.000 1.137 238 T CB -0.330 68.541 68.868 0.005 0.000 0.879 238 T HN 0.382 nan 8.240 nan 0.000 0.467 239 S N 1.371 117.012 115.700 -0.098 0.000 2.368 239 S HA 0.087 4.570 4.470 0.022 0.000 0.224 239 S C 2.478 176.885 174.600 -0.323 0.000 1.029 239 S CA 1.141 59.231 58.200 -0.183 0.000 0.988 239 S CB -0.921 62.174 63.200 -0.175 0.000 0.838 239 S HN 0.725 nan 8.310 nan 0.000 0.462 240 A N 0.660 123.271 122.820 -0.348 0.000 1.902 240 A HA -0.044 4.289 4.320 0.022 0.000 0.217 240 A C 2.415 179.754 177.584 -0.408 0.000 1.181 240 A CA 2.125 53.874 52.037 -0.479 0.000 0.623 240 A CB -1.445 17.432 19.000 -0.206 0.000 0.818 240 A HN 0.626 nan 8.150 nan 0.000 0.443 241 S N -0.600 114.995 115.700 -0.176 0.000 2.359 241 S HA -0.184 4.299 4.470 0.022 0.000 0.224 241 S C 2.337 176.839 174.600 -0.163 0.000 1.035 241 S CA 2.199 60.337 58.200 -0.103 0.000 1.018 241 S CB -0.495 62.671 63.200 -0.057 0.000 0.876 241 S HN 0.619 nan 8.310 nan 0.000 0.448 242 S N 0.443 116.024 115.700 -0.199 0.000 2.368 242 S HA 0.065 4.548 4.470 0.022 0.000 0.224 242 S C 2.084 176.523 174.600 -0.270 0.000 1.029 242 S CA 1.307 59.393 58.200 -0.190 0.000 0.988 242 S CB -0.763 62.341 63.200 -0.161 0.000 0.838 242 S HN 0.714 nan 8.310 nan 0.000 0.462 243 A N 0.680 123.216 122.820 -0.472 0.000 1.972 243 A HA 0.020 4.353 4.320 0.022 0.000 0.219 243 A C 2.279 179.549 177.584 -0.524 0.000 1.169 243 A CA 1.603 53.255 52.037 -0.642 0.000 0.635 243 A CB -0.851 17.369 19.000 -1.299 0.000 0.810 243 A HN 0.445 nan 8.150 nan 0.000 0.446 244 V N 0.056 119.695 119.914 -0.459 0.000 2.307 244 V HA -0.224 3.909 4.120 0.022 0.000 0.245 244 V C 2.458 178.522 176.094 -0.050 0.000 1.045 244 V CA 1.900 64.119 62.300 -0.136 0.000 1.024 244 V CB -0.673 31.163 31.823 0.021 0.000 0.651 244 V HN 0.583 nan 8.190 nan 0.000 0.449 245 L N -0.063 121.119 121.223 -0.068 0.000 2.362 245 L HA -0.040 4.313 4.340 0.022 0.000 0.219 245 L C 2.374 179.218 176.870 -0.045 0.000 1.134 245 L CA 1.078 55.896 54.840 -0.036 0.000 0.807 245 L CB -0.541 41.495 42.059 -0.039 0.000 0.927 245 L HN 0.365 nan 8.230 nan 0.000 0.447 246 A N -0.031 122.743 122.820 -0.076 0.000 2.147 246 A HA 0.354 4.687 4.320 0.022 0.000 0.211 246 A C 1.375 178.937 177.584 -0.038 0.000 1.160 246 A CA 0.361 52.360 52.037 -0.063 0.000 0.781 246 A CB -0.191 18.755 19.000 -0.090 0.000 0.842 246 A HN 0.241 nan 8.150 nan 0.000 0.475 247 A N 0.453 123.257 122.820 -0.026 0.000 2.540 247 A HA 0.406 4.739 4.320 0.022 0.000 0.239 247 A C 0.749 178.346 177.584 0.021 0.000 1.061 247 A CA 0.503 52.550 52.037 0.016 0.000 0.758 247 A CB -0.178 18.859 19.000 0.062 0.000 0.991 247 A HN 0.514 nan 8.150 nan 0.000 0.502 248 S N 1.409 117.123 115.700 0.024 0.000 2.549 248 S HA 0.340 4.823 4.470 0.022 0.000 0.279 248 S C -0.036 174.580 174.600 0.027 0.000 1.321 248 S CA -0.517 57.695 58.200 0.020 0.000 1.054 248 S CB -0.000 63.210 63.200 0.016 0.000 0.899 248 S HN 0.692 nan 8.310 nan 0.000 0.497 249 V N 5.571 125.498 119.914 0.021 0.000 2.406 249 V HA 0.268 4.401 4.120 0.022 0.000 0.272 249 V C 1.345 177.450 176.094 0.018 0.000 1.043 249 V CA -0.021 62.293 62.300 0.022 0.000 0.915 249 V CB 0.944 32.777 31.823 0.017 0.000 0.988 249 V HN 1.086 nan 8.190 nan 0.000 0.466 250 T N -0.450 114.115 114.554 0.020 0.000 3.069 250 T HA 0.194 4.557 4.350 0.022 0.000 0.252 250 T C 0.535 175.242 174.700 0.011 0.000 1.053 250 T CA 0.201 62.310 62.100 0.015 0.000 0.964 250 T CB 0.284 69.162 68.868 0.017 0.000 1.005 250 T HN 0.550 nan 8.240 nan 0.000 0.532 251 S N 0.999 116.706 115.700 0.011 0.000 2.653 251 S HA 0.440 4.923 4.470 0.022 0.000 0.268 251 S C -1.082 173.522 174.600 0.006 0.000 1.153 251 S CA -0.527 57.677 58.200 0.007 0.000 1.036 251 S CB 1.079 64.283 63.200 0.006 0.000 1.103 251 S HN 0.299 nan 8.310 nan 0.000 0.466 252 T N 6.476 121.031 114.554 0.002 0.000 2.733 252 T HA 0.507 4.870 4.350 0.022 0.000 0.294 252 T C -2.347 172.350 174.700 -0.006 0.000 0.956 252 T CA -0.781 61.319 62.100 -0.001 0.000 0.987 252 T CB 0.881 69.747 68.868 -0.003 0.000 0.920 252 T HN 0.438 nan 8.240 nan 0.000 0.470 253 P HA 0.352 nan 4.420 nan 0.000 0.272 253 P C -0.086 177.200 177.300 -0.023 0.000 1.230 253 P CA -0.467 62.625 63.100 -0.015 0.000 0.788 253 P CB 0.584 32.275 31.700 -0.015 0.000 0.949 254 S N -0.209 115.475 115.700 -0.027 0.000 2.655 254 S HA 0.190 4.673 4.470 0.022 0.000 0.265 254 S C 0.287 174.858 174.600 -0.048 0.000 1.240 254 S CA -0.291 57.890 58.200 -0.032 0.000 0.986 254 S CB 0.097 63.280 63.200 -0.029 0.000 0.985 254 S HN 0.515 nan 8.310 nan 0.000 0.562 255 S N -0.035 115.635 115.700 -0.051 0.000 3.521 255 S HA -0.172 4.311 4.470 0.022 0.000 0.362 255 S C -0.299 174.242 174.600 -0.098 0.000 1.044 255 S CA 0.127 58.284 58.200 -0.072 0.000 1.091 255 S CB -1.345 61.806 63.200 -0.083 0.000 0.908 255 S HN 0.477 nan 8.310 nan 0.000 0.473 256 L N 2.921 124.102 121.223 -0.071 0.000 2.331 256 L HA 0.412 4.765 4.340 0.022 0.000 0.278 256 L C -1.285 175.553 176.870 -0.052 0.000 1.106 256 L CA -1.503 53.295 54.840 -0.070 0.000 0.824 256 L CB 0.061 42.096 42.059 -0.040 0.000 1.142 256 L HN 0.018 nan 8.230 nan 0.000 0.443 257 P HA 0.007 nan 4.420 nan 0.000 0.270 257 P C -0.502 176.817 177.300 0.030 0.000 1.223 257 P CA -0.343 62.778 63.100 0.035 0.000 0.785 257 P CB 0.545 32.360 31.700 0.191 0.000 0.923 258 S N 0.322 116.042 115.700 0.035 0.000 2.552 258 S HA 0.315 4.798 4.470 0.022 0.000 0.289 258 S C 1.498 176.108 174.600 0.016 0.000 1.304 258 S CA 0.959 59.170 58.200 0.018 0.000 1.063 258 S CB -1.186 62.024 63.200 0.017 0.000 0.848 258 S HN 0.899 nan 8.310 nan 0.000 0.499 259 G N 3.155 111.958 108.800 0.004 0.000 2.166 259 G HA2 -0.292 3.681 3.960 0.022 0.000 0.260 259 G HA3 -0.292 3.681 3.960 0.022 0.000 0.260 259 G C 0.977 175.876 174.900 -0.002 0.000 0.986 259 G CA 0.543 45.642 45.100 -0.001 0.000 0.683 259 G HN 1.296 nan 8.290 nan 0.000 0.527 260 A N -0.575 122.245 122.820 0.001 0.000 1.940 260 A HA 0.291 4.624 4.320 0.022 0.000 0.219 260 A C 1.390 178.969 177.584 -0.008 0.000 1.176 260 A CA 1.326 53.360 52.037 -0.006 0.000 0.631 260 A CB -0.086 18.908 19.000 -0.009 0.000 0.814 260 A HN 0.829 nan 8.150 nan 0.000 0.446 261 I N -0.275 120.291 120.570 -0.006 0.000 2.371 261 I HA 0.516 4.699 4.170 0.022 0.000 0.290 261 I C 0.750 176.863 176.117 -0.008 0.000 1.028 261 I CA 0.469 61.766 61.300 -0.004 0.000 1.345 261 I CB 0.718 38.717 38.000 -0.003 0.000 1.407 261 I HN 0.462 nan 8.210 nan 0.000 0.501 262 G N 7.349 116.143 108.800 -0.010 0.000 2.353 262 G HA2 0.008 3.981 3.960 0.022 0.000 0.424 262 G HA3 0.008 3.981 3.960 0.022 0.000 0.424 262 G C -3.201 171.687 174.900 -0.021 0.000 1.320 262 G CA -1.051 44.040 45.100 -0.015 0.000 0.995 262 G HN 0.421 nan 8.290 nan 0.000 0.580 263 P HA 0.488 nan 4.420 nan 0.000 0.272 263 P C 0.421 177.701 177.300 -0.033 0.000 1.230 263 P CA 0.583 63.662 63.100 -0.035 0.000 0.788 263 P CB 1.322 33.000 31.700 -0.037 0.000 0.949 264 G N -0.139 108.639 108.800 -0.037 0.000 2.511 264 G HA2 0.593 4.566 3.960 0.022 0.000 0.318 264 G HA3 0.593 4.566 3.960 0.022 0.000 0.318 264 G C -0.849 174.025 174.900 -0.042 0.000 1.210 264 G CA -0.689 44.389 45.100 -0.038 0.000 0.969 264 G HN 0.635 nan 8.290 nan 0.000 0.484 265 A N 0.198 122.991 122.820 -0.045 0.000 2.332 265 A HA 0.549 4.882 4.320 0.022 0.000 0.258 265 A C 0.689 178.244 177.584 -0.050 0.000 1.087 265 A CA -0.369 51.640 52.037 -0.047 0.000 0.802 265 A CB 0.109 19.079 19.000 -0.050 0.000 1.042 265 A HN 0.813 nan 8.150 nan 0.000 0.489 266 E N 1.068 121.239 120.200 -0.047 0.000 2.383 266 E HA 0.481 4.844 4.350 0.022 0.000 0.264 266 E C 0.125 176.693 176.600 -0.053 0.000 1.050 266 E CA -0.251 56.121 56.400 -0.046 0.000 0.896 266 E CB 0.694 30.371 29.700 -0.038 0.000 0.982 266 E HN 0.694 nan 8.360 nan 0.000 0.424 267 A N 2.529 125.316 122.820 -0.054 0.000 2.477 267 A HA 0.391 4.724 4.320 0.022 0.000 0.246 267 A C 0.265 177.809 177.584 -0.067 0.000 1.078 267 A CA -0.314 51.683 52.037 -0.066 0.000 0.770 267 A CB 0.154 19.117 19.000 -0.062 0.000 1.011 267 A HN 0.662 nan 8.150 nan 0.000 0.494 268 V N -0.306 119.555 119.914 -0.088 0.000 3.102 268 V HA 0.786 4.919 4.120 0.022 0.000 0.312 268 V C -2.757 173.267 176.094 -0.117 0.000 1.135 268 V CA -2.398 59.850 62.300 -0.087 0.000 1.022 268 V CB 1.558 33.331 31.823 -0.084 0.000 1.056 268 V HN 0.779 nan 8.190 nan 0.000 0.436 269 P HA 0.278 nan 4.420 nan 0.000 0.268 269 P C -0.371 176.828 177.300 -0.169 0.000 1.205 269 P CA -0.047 62.981 63.100 -0.119 0.000 0.771 269 P CB 0.689 32.347 31.700 -0.071 0.000 0.858 270 L N 1.259 122.355 121.223 -0.211 0.000 2.475 270 L HA 0.418 4.771 4.340 0.022 0.000 0.253 270 L C 1.045 177.660 176.870 -0.426 0.000 1.198 270 L CA 0.132 54.754 54.840 -0.362 0.000 0.814 270 L CB 0.298 42.133 42.059 -0.373 0.000 1.134 270 L HN 0.445 nan 8.230 nan 0.000 0.478 271 S N 0.187 115.441 115.700 -0.743 0.000 2.562 271 S HA 0.643 5.126 4.470 0.022 0.000 0.274 271 S C -1.381 172.710 174.600 -0.849 0.000 1.160 271 S CA -0.564 57.298 58.200 -0.563 0.000 0.933 271 S CB 0.618 63.642 63.200 -0.294 0.000 1.100 271 S HN 0.301 nan 8.310 nan 0.000 0.468 272 F N 2.551 122.397 119.950 -0.174 0.000 2.507 272 F HA 0.718 5.256 4.527 0.019 0.000 0.325 272 F C 0.652 176.368 175.800 -0.140 0.000 1.116 272 F CA -0.796 57.045 58.000 -0.264 0.000 0.930 272 F CB 1.725 40.360 39.000 -0.609 0.000 1.146 272 F HN 0.711 nan 8.300 nan 0.000 0.447 273 A N 1.230 124.081 122.820 0.052 0.000 2.511 273 A HA 0.322 4.655 4.320 0.022 0.000 0.242 273 A C 1.222 178.856 177.584 0.084 0.000 1.069 273 A CA 0.267 52.331 52.037 0.046 0.000 0.763 273 A CB 0.011 19.028 19.000 0.028 0.000 1.001 273 A HN 0.977 nan 8.150 nan 0.000 0.498 274 S N 1.486 117.229 115.700 0.072 0.000 2.442 274 S HA -0.181 4.302 4.470 0.022 0.000 0.236 274 S C 1.600 176.241 174.600 0.068 0.000 1.007 274 S CA 1.622 59.869 58.200 0.080 0.000 0.965 274 S CB -0.956 62.279 63.200 0.058 0.000 0.773 274 S HN 1.164 nan 8.310 nan 0.000 0.504 275 T N -0.659 113.927 114.554 0.053 0.000 2.995 275 T HA 0.152 4.515 4.350 0.022 0.000 0.269 275 T C 0.701 175.428 174.700 0.045 0.000 1.091 275 T CA 0.191 62.316 62.100 0.040 0.000 1.128 275 T CB -0.557 68.328 68.868 0.029 0.000 0.891 275 T HN 0.471 nan 8.240 nan 0.000 0.492 276 M N 2.966 122.610 119.600 0.073 0.000 2.188 276 M HA 0.287 4.780 4.480 0.022 0.000 0.354 276 M C -0.101 176.269 176.300 0.116 0.000 1.342 276 M CA -0.128 55.224 55.300 0.087 0.000 1.117 276 M CB 1.026 33.695 32.600 0.114 0.000 1.670 276 M HN 0.136 nan 8.290 nan 0.000 0.466 277 T N 6.609 121.167 114.554 0.006 0.000 2.845 277 T HA 0.601 4.964 4.350 0.022 0.000 0.288 277 T C -2.381 172.205 174.700 -0.189 0.000 0.980 277 T CA -1.584 60.467 62.100 -0.081 0.000 1.071 277 T CB 0.839 69.640 68.868 -0.111 0.000 0.941 277 T HN 0.591 nan 8.240 nan 0.000 0.487 278 P HA 0.285 nan 4.420 nan 0.000 0.274 278 P C -0.650 176.439 177.300 -0.353 0.000 1.237 278 P CA -0.484 62.319 63.100 -0.494 0.000 0.793 278 P CB 0.470 31.667 31.700 -0.839 0.000 0.977 279 F N 0.103 119.942 119.950 -0.184 0.000 2.410 279 F HA 0.189 4.729 4.527 0.021 0.000 0.334 279 F C 1.312 176.953 175.800 -0.264 0.000 1.134 279 F CA -0.313 57.573 58.000 -0.190 0.000 1.227 279 F CB 0.069 38.900 39.000 -0.281 0.000 1.194 279 F HN 0.067 nan 8.300 nan 0.000 0.571 280 L N 3.136 124.316 121.223 -0.072 0.000 2.456 280 L HA 0.044 4.397 4.340 0.022 0.000 0.272 280 L C -0.320 176.410 176.870 -0.233 0.000 1.189 280 L CA -0.526 54.213 54.840 -0.169 0.000 0.846 280 L CB 0.224 42.184 42.059 -0.165 0.000 1.111 280 L HN 0.303 nan 8.230 nan 0.000 0.475 281 L N 2.732 123.885 121.223 -0.118 0.000 2.371 281 L HA 0.343 4.696 4.340 0.022 0.000 0.272 281 L C 0.551 177.463 176.870 0.070 0.000 1.124 281 L CA 0.089 54.897 54.840 -0.053 0.000 0.816 281 L CB 0.958 42.992 42.059 -0.041 0.000 1.129 281 L HN 0.665 nan 8.230 nan 0.000 0.448 282 A N 1.563 124.478 122.820 0.159 0.000 2.477 282 A HA 0.382 4.715 4.320 0.022 0.000 0.246 282 A C 0.915 178.584 177.584 0.142 0.000 1.078 282 A CA 0.378 52.578 52.037 0.272 0.000 0.770 282 A CB -0.149 18.985 19.000 0.224 0.000 1.011 282 A HN 0.877 nan 8.150 nan 0.000 0.494 283 T N 0.152 114.784 114.554 0.130 0.000 3.145 283 T HA 0.112 4.475 4.350 0.022 0.000 0.255 283 T C 0.338 175.066 174.700 0.046 0.000 1.039 283 T CA -0.424 61.718 62.100 0.070 0.000 0.928 283 T CB -0.661 68.245 68.868 0.063 0.000 1.029 283 T HN 0.614 nan 8.240 nan 0.000 0.554 284 N N 2.235 120.964 118.700 0.048 0.000 2.454 284 N HA 0.333 5.086 4.740 0.022 0.000 0.254 284 N C 0.457 175.992 175.510 0.041 0.000 1.228 284 N CA 0.077 53.149 53.050 0.037 0.000 0.900 284 N CB 0.769 39.278 38.487 0.036 0.000 1.089 284 N HN 0.536 nan 8.380 nan 0.000 0.449 285 A N 3.141 125.987 122.820 0.044 0.000 2.448 285 A HA 0.230 4.563 4.320 0.022 0.000 0.239 285 A C -2.024 175.607 177.584 0.078 0.000 1.080 285 A CA -0.813 51.254 52.037 0.050 0.000 0.779 285 A CB -0.429 18.604 19.000 0.055 0.000 1.026 285 A HN 0.429 nan 8.150 nan 0.000 0.499 286 P HA 0.137 nan 4.420 nan 0.000 0.267 286 P C -0.768 176.656 177.300 0.205 0.000 1.205 286 P CA 0.357 63.517 63.100 0.101 0.000 0.765 286 P CB 0.121 31.835 31.700 0.024 0.000 0.828 287 Y N 5.565 125.928 120.300 0.104 0.000 2.336 287 Y HA 0.379 4.941 4.550 0.021 0.000 0.331 287 Y C -0.558 175.464 175.900 0.203 0.000 1.211 287 Y CA -0.076 58.092 58.100 0.113 0.000 1.346 287 Y CB 0.370 38.871 38.460 0.069 0.000 1.271 287 Y HN 0.456 nan 8.280 nan 0.000 0.538 288 Y N 2.502 122.228 120.300 -0.956 0.000 2.552 288 Y HA 0.754 5.317 4.550 0.022 0.000 0.337 288 Y C -0.993 174.383 175.900 -0.873 0.000 1.094 288 Y CA -1.908 55.751 58.100 -0.735 0.000 1.028 288 Y CB 0.298 38.602 38.460 -0.259 0.000 1.321 288 Y HN 0.892 nan 8.280 nan 0.000 0.456 289 A N 2.745 125.242 122.820 -0.538 0.000 2.548 289 A HA 0.218 4.551 4.320 0.022 0.000 0.247 289 A C 0.327 177.728 177.584 -0.305 0.000 1.067 289 A CA 0.143 51.956 52.037 -0.375 0.000 0.757 289 A CB 0.075 18.944 19.000 -0.218 0.000 0.996 289 A HN 0.943 nan 8.150 nan 0.000 0.504 290 Q N 0.469 120.094 119.800 -0.292 0.000 2.214 290 Q HA 0.092 4.445 4.340 0.022 0.000 0.229 290 Q C -0.665 175.275 176.000 -0.101 0.000 0.835 290 Q CA 0.252 55.928 55.803 -0.211 0.000 0.953 290 Q CB 0.739 29.306 28.738 -0.285 0.000 1.131 290 Q HN 0.892 nan 8.270 nan 0.000 0.501 291 D N 2.062 122.414 120.400 -0.079 0.000 2.443 291 D HA 0.172 4.825 4.640 0.022 0.000 0.281 291 D C -2.138 174.136 176.300 -0.043 0.000 1.210 291 D CA -1.297 52.676 54.000 -0.044 0.000 0.875 291 D CB 0.951 41.738 40.800 -0.022 0.000 1.125 291 D HN 0.019 nan 8.370 nan 0.000 0.503 292 P HA 0.370 nan 4.420 nan 0.000 0.284 292 P C -0.287 176.976 177.300 -0.062 0.000 1.287 292 P CA -0.544 62.530 63.100 -0.044 0.000 0.824 292 P CB 0.880 32.562 31.700 -0.029 0.000 1.180 293 T N -1.441 113.095 114.554 -0.030 0.000 2.899 293 T HA 0.438 4.801 4.350 0.022 0.000 0.295 293 T C 0.613 175.291 174.700 -0.037 0.000 1.033 293 T CA -0.778 61.320 62.100 -0.003 0.000 1.084 293 T CB 0.216 69.125 68.868 0.068 0.000 0.979 293 T HN 0.240 nan 8.240 nan 0.000 0.532 294 L N 1.792 122.963 121.223 -0.088 0.000 2.375 294 L HA 0.604 4.957 4.340 0.022 0.000 0.271 294 L C 1.247 178.089 176.870 -0.046 0.000 1.107 294 L CA -0.988 53.732 54.840 -0.199 0.000 0.806 294 L CB 0.640 42.283 42.059 -0.694 0.000 1.146 294 L HN 0.963 nan 8.230 nan 0.000 0.447 295 G N 0.782 109.577 108.800 -0.009 0.000 2.535 295 G HA2 0.376 4.349 3.960 0.022 0.000 0.303 295 G HA3 0.376 4.349 3.960 0.022 0.000 0.303 295 G C -1.696 173.272 174.900 0.115 0.000 1.237 295 G CA -0.925 44.215 45.100 0.067 0.000 0.986 295 G HN 0.497 nan 8.290 nan 0.000 0.494 296 P HA -0.100 nan 4.420 nan 0.000 0.220 296 P C 0.634 178.032 177.300 0.163 0.000 1.148 296 P CA 1.102 64.281 63.100 0.131 0.000 0.803 296 P CB 0.222 31.966 31.700 0.073 0.000 0.782 297 N N -0.706 118.100 118.700 0.176 0.000 2.268 297 N HA 0.049 4.802 4.740 0.022 0.000 0.204 297 N C 0.020 175.706 175.510 0.292 0.000 1.124 297 N CA -0.225 52.962 53.050 0.228 0.000 0.838 297 N CB 0.124 38.747 38.487 0.226 0.000 0.994 297 N HN 0.121 nan 8.380 nan 0.000 0.489 298 D N 0.000 120.547 120.400 0.246 0.000 6.856 298 D HA 0.000 4.653 4.640 0.022 0.000 0.175 298 D CA 0.000 54.153 54.000 0.254 0.000 0.868 298 D CB 0.000 40.893 40.800 0.155 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683