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 2yvw_1_A DATA FIRST_RESID 9 DATA SEQUENCE YRDYFVIRGG KPLTGKVKIS GAKNAALPIM FATILTEEPC TITNVPDLLD DATA SEQUENCE VRNTLLLLRE LGAELEFLNN TVFINPSINS FITNQEIIRR MRASVLSLGP DATA SEQUENCE LLGRFGRAVV GLPGGCSIGA RPIDQHLKFF KEAGADVEVR EGYVYVNLKE DATA SEQUENCE KRRVHFKFDL VTVTGTENAL LYLASVPEES ILENIALEPE VMDLIEVLKK DATA SEQUENCE MGAHVKVEGR SAYVKGSENL KGFTHSVIPD RIEAGTFMVG AVLTDGEILL DATA SEQUENCE ENARINHLRA VVEKLKLIGG EVVEENGNLR VFRKESLRAC DIETQVYPGF DATA SEQUENCE PTDMQAQFMA LLSVAKGKSR IKENIFEHRF HHAQELNRLG ANITVRGNTA DATA SEQUENCE YVEGVERLYG SEVYSTDLRA SASLVLAGLV AQGETVVRDV YHLDRGYEKL DATA SEQUENCE EEKLKKLGAD IERVSE 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 9 Y HA 0.000 nan 4.550 nan 0.000 0.201 9 Y C 0.000 175.885 175.900 -0.025 0.000 1.272 9 Y CA 0.000 58.073 58.100 -0.045 0.000 1.940 9 Y CB 0.000 38.468 38.460 0.013 0.000 1.050 10 R N 0.573 121.211 120.500 0.230 0.000 2.586 10 R HA 0.182 4.522 4.340 -0.000 0.000 0.306 10 R C -1.144 175.314 176.300 0.262 0.000 1.079 10 R CA -0.465 55.746 56.100 0.185 0.000 1.083 10 R CB -0.150 30.237 30.300 0.144 0.000 1.306 10 R HN 0.640 nan 8.270 nan 0.000 0.567 11 D N 1.563 122.157 120.400 0.323 0.000 2.443 11 D HA -0.031 4.609 4.640 -0.000 0.000 0.234 11 D C -0.073 176.316 176.300 0.150 0.000 1.172 11 D CA 1.002 55.102 54.000 0.167 0.000 0.878 11 D CB 0.327 41.212 40.800 0.142 0.000 1.204 11 D HN 0.148 nan 8.370 nan 0.000 0.453 12 Y N -1.415 118.880 120.300 -0.007 0.000 2.625 12 Y HA 0.641 5.191 4.550 -0.000 0.000 0.338 12 Y C -1.598 174.346 175.900 0.073 0.000 1.123 12 Y CA -1.503 56.542 58.100 -0.090 0.000 1.046 12 Y CB 0.672 39.093 38.460 -0.065 0.000 1.299 12 Y HN 0.062 nan 8.280 nan 0.000 0.464 13 F N 1.054 121.131 119.950 0.212 0.000 2.458 13 F HA 0.701 5.228 4.527 -0.000 0.000 0.330 13 F C -0.457 175.455 175.800 0.187 0.000 1.082 13 F CA -2.038 56.028 58.000 0.111 0.000 0.995 13 F CB 1.975 41.017 39.000 0.069 0.000 1.170 13 F HN 0.372 nan 8.300 nan 0.000 0.478 14 V N 4.660 124.763 119.914 0.314 0.000 2.407 14 V HA 0.428 4.548 4.120 -0.000 0.000 0.291 14 V C -0.246 175.919 176.094 0.119 0.000 1.018 14 V CA -0.568 61.861 62.300 0.215 0.000 0.842 14 V CB 1.486 33.417 31.823 0.180 0.000 0.996 14 V HN 0.491 nan 8.190 nan 0.000 0.426 15 I N 5.470 126.103 120.570 0.104 0.000 2.355 15 I HA 0.519 4.689 4.170 -0.000 0.000 0.288 15 I C 0.172 176.314 176.117 0.041 0.000 0.999 15 I CA -0.571 60.759 61.300 0.050 0.000 1.163 15 I CB 1.483 39.513 38.000 0.050 0.000 1.316 15 I HN 0.426 nan 8.210 nan 0.000 0.454 16 R N 5.004 125.519 120.500 0.023 0.000 2.233 16 R HA 0.384 4.724 4.340 -0.000 0.000 0.334 16 R C 0.443 176.749 176.300 0.010 0.000 1.037 16 R CA -0.468 55.646 56.100 0.022 0.000 0.920 16 R CB 1.271 31.583 30.300 0.020 0.000 1.137 16 R HN 0.798 nan 8.270 nan 0.000 0.492 17 G N 0.037 108.843 108.800 0.010 0.000 2.684 17 G HA2 0.336 4.296 3.960 -0.000 0.000 0.255 17 G HA3 0.336 4.296 3.960 -0.000 0.000 0.255 17 G C 0.778 175.675 174.900 -0.004 0.000 1.219 17 G CA 0.358 45.457 45.100 -0.001 0.000 0.901 17 G HN 0.708 nan 8.290 nan 0.000 0.548 18 G N -1.103 107.690 108.800 -0.010 0.000 2.159 18 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.170 18 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.170 18 G C 0.146 175.042 174.900 -0.007 0.000 1.007 18 G CA 0.120 45.214 45.100 -0.010 0.000 0.672 18 G HN 0.646 nan 8.290 nan 0.000 0.507 19 K N 1.068 121.464 120.400 -0.006 0.000 2.324 19 K HA 0.556 4.876 4.320 -0.000 0.000 0.253 19 K C -2.621 173.979 176.600 -0.001 0.000 0.932 19 K CA -1.787 54.498 56.287 -0.004 0.000 0.799 19 K CB 2.981 35.478 32.500 -0.005 0.000 1.154 19 K HN 0.158 nan 8.250 nan 0.000 0.425 20 P HA 0.278 nan 4.420 nan 0.000 0.284 20 P C -0.355 176.954 177.300 0.015 0.000 1.253 20 P CA -0.494 62.612 63.100 0.010 0.000 0.800 20 P CB 0.890 32.597 31.700 0.011 0.000 0.961 21 L N 3.142 124.380 121.223 0.026 0.000 2.360 21 L HA 0.341 4.681 4.340 -0.000 0.000 0.276 21 L C 1.015 177.906 176.870 0.036 0.000 1.121 21 L CA 0.256 55.118 54.840 0.038 0.000 0.845 21 L CB 0.477 42.576 42.059 0.067 0.000 1.143 21 L HN 0.534 nan 8.230 nan 0.000 0.452 22 T N -0.073 114.494 114.554 0.021 0.000 2.933 22 T HA 0.842 5.192 4.350 -0.000 0.000 0.305 22 T C -0.163 174.536 174.700 -0.001 0.000 1.092 22 T CA -0.140 61.968 62.100 0.013 0.000 1.008 22 T CB 2.269 71.139 68.868 0.003 0.000 1.102 22 T HN 1.059 nan 8.240 nan 0.000 0.469 23 G N 1.895 110.692 108.800 -0.005 0.000 2.373 23 G HA2 0.133 4.093 3.960 -0.000 0.000 0.634 23 G HA3 0.133 4.093 3.960 -0.000 0.000 0.634 23 G C -1.459 173.421 174.900 -0.034 0.000 1.267 23 G CA -1.047 44.041 45.100 -0.021 0.000 1.008 23 G HN 0.875 nan 8.290 nan 0.000 0.497 24 K N -1.053 119.318 120.400 -0.049 0.000 2.098 24 K HA 0.723 5.043 4.320 -0.000 0.000 0.261 24 K C -0.644 175.884 176.600 -0.119 0.000 0.987 24 K CA -0.695 55.551 56.287 -0.069 0.000 0.916 24 K CB 2.368 34.834 32.500 -0.056 0.000 1.039 24 K HN 0.963 nan 8.250 nan 0.000 0.455 25 V N 1.820 121.635 119.914 -0.164 0.000 2.777 25 V HA 0.249 4.369 4.120 -0.000 0.000 0.306 25 V C -1.607 174.357 176.094 -0.217 0.000 1.112 25 V CA -0.819 61.318 62.300 -0.271 0.000 0.917 25 V CB 1.878 33.367 31.823 -0.557 0.000 1.018 25 V HN 0.717 nan 8.190 nan 0.000 0.426 26 K N 6.708 127.003 120.400 -0.175 0.000 2.253 26 K HA 0.515 4.835 4.320 -0.000 0.000 0.277 26 K C -0.487 176.056 176.600 -0.095 0.000 1.053 26 K CA -0.724 55.500 56.287 -0.106 0.000 0.892 26 K CB 0.840 33.299 32.500 -0.067 0.000 1.102 26 K HN 0.620 nan 8.250 nan 0.000 0.469 27 I N 3.081 123.619 120.570 -0.054 0.000 2.529 27 I HA 0.036 4.206 4.170 -0.000 0.000 0.284 27 I C 0.727 176.864 176.117 0.034 0.000 1.082 27 I CA 0.178 61.483 61.300 0.009 0.000 1.406 27 I CB 1.126 39.152 38.000 0.043 0.000 1.405 27 I HN 0.637 nan 8.210 nan 0.000 0.548 28 S N 3.873 119.615 115.700 0.071 0.000 2.655 28 S HA 0.491 4.961 4.470 -0.000 0.000 0.265 28 S C 0.626 175.264 174.600 0.062 0.000 1.240 28 S CA -0.572 57.668 58.200 0.067 0.000 0.986 28 S CB 1.147 64.403 63.200 0.092 0.000 0.985 28 S HN 0.841 nan 8.310 nan 0.000 0.562 29 G N -0.006 108.826 108.800 0.054 0.000 2.594 29 G HA2 0.456 4.416 3.960 -0.000 0.000 0.243 29 G HA3 0.456 4.416 3.960 -0.000 0.000 0.243 29 G C -0.178 174.746 174.900 0.039 0.000 1.229 29 G CA -0.428 44.699 45.100 0.045 0.000 0.843 29 G HN 0.882 nan 8.290 nan 0.000 0.578 30 A N 1.199 124.036 122.820 0.028 0.000 2.438 30 A HA 0.273 4.592 4.320 -0.000 0.000 0.280 30 A C 1.587 179.163 177.584 -0.012 0.000 1.160 30 A CA 0.030 52.071 52.037 0.005 0.000 0.821 30 A CB 0.269 19.264 19.000 -0.008 0.000 1.101 30 A HN 0.886 nan 8.150 nan 0.000 0.515 31 K N 2.529 122.911 120.400 -0.031 0.000 2.044 31 K HA -0.192 4.127 4.320 -0.000 0.000 0.210 31 K C 0.712 177.288 176.600 -0.040 0.000 1.049 31 K CA 2.015 58.275 56.287 -0.045 0.000 0.927 31 K CB -0.083 32.369 32.500 -0.079 0.000 0.713 31 K HN 0.741 nan 8.250 nan 0.000 0.443 32 N N -0.031 118.642 118.700 -0.045 0.000 2.521 32 N HA -0.015 4.724 4.740 -0.000 0.000 0.188 32 N C 0.790 176.280 175.510 -0.033 0.000 1.146 32 N CA 0.758 53.787 53.050 -0.035 0.000 0.893 32 N CB 0.552 39.011 38.487 -0.047 0.000 0.975 32 N HN 0.324 nan 8.380 nan 0.000 0.451 33 A N 0.177 122.979 122.820 -0.031 0.000 1.963 33 A HA 0.397 4.717 4.320 -0.000 0.000 0.207 33 A C 2.195 179.777 177.584 -0.003 0.000 1.243 33 A CA 0.772 52.794 52.037 -0.024 0.000 0.728 33 A CB -0.430 18.561 19.000 -0.014 0.000 0.895 33 A HN 0.187 nan 8.150 nan 0.000 0.467 34 A N -0.085 122.733 122.820 -0.004 0.000 1.933 34 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 34 A C 2.004 179.561 177.584 -0.045 0.000 1.175 34 A CA 1.687 53.713 52.037 -0.018 0.000 0.628 34 A CB -0.561 18.414 19.000 -0.041 0.000 0.814 34 A HN 0.370 nan 8.150 nan 0.000 0.444 35 L N 0.310 121.518 121.223 -0.025 0.000 1.955 35 L HA -0.106 4.234 4.340 -0.000 0.000 0.213 35 L C -0.225 176.719 176.870 0.124 0.000 1.072 35 L CA 2.709 57.552 54.840 0.006 0.000 0.755 35 L CB -1.380 40.737 42.059 0.097 0.000 0.888 35 L HN 0.260 nan 8.230 nan 0.000 0.432 36 P HA -0.161 nan 4.420 nan 0.000 0.218 36 P C 1.919 179.295 177.300 0.126 0.000 1.149 36 P CA 1.365 64.587 63.100 0.203 0.000 0.817 36 P CB -0.009 31.740 31.700 0.083 0.000 0.785 37 I N -0.640 119.952 120.570 0.038 0.000 2.315 37 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 37 I C 2.640 178.813 176.117 0.093 0.000 1.117 37 I CA 1.386 62.694 61.300 0.014 0.000 1.404 37 I CB -1.243 36.761 38.000 0.007 0.000 1.071 37 I HN -0.019 nan 8.210 nan 0.000 0.419 38 M N -0.665 118.931 119.600 -0.008 0.000 2.132 38 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 38 M C 2.228 178.465 176.300 -0.105 0.000 1.065 38 M CA 1.759 56.993 55.300 -0.109 0.000 1.122 38 M CB -0.433 31.976 32.600 -0.318 0.000 1.365 38 M HN 0.020 nan 8.290 nan 0.000 0.411 39 F N 0.419 120.399 119.950 0.049 0.000 2.293 39 F HA -0.060 4.467 4.527 -0.000 0.000 0.300 39 F C 2.569 178.413 175.800 0.072 0.000 1.086 39 F CA 1.100 59.134 58.000 0.057 0.000 1.375 39 F CB -0.940 38.090 39.000 0.050 0.000 1.045 39 F HN 0.107 nan 8.300 nan 0.000 0.516 40 A N -0.125 122.830 122.820 0.226 0.000 2.019 40 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 40 A C 2.274 179.983 177.584 0.209 0.000 1.164 40 A CA 1.921 54.056 52.037 0.162 0.000 0.644 40 A CB -1.394 17.631 19.000 0.042 0.000 0.805 40 A HN 0.423 nan 8.150 nan 0.000 0.449 41 T N -1.509 113.189 114.554 0.239 0.000 2.929 41 T HA -0.078 4.272 4.350 -0.000 0.000 0.271 41 T C 1.676 176.452 174.700 0.126 0.000 1.085 41 T CA 1.350 63.568 62.100 0.197 0.000 1.125 41 T CB -0.685 68.231 68.868 0.079 0.000 0.874 41 T HN 0.412 nan 8.240 nan 0.000 0.494 42 I N 0.764 121.416 120.570 0.136 0.000 2.454 42 I HA -0.057 4.113 4.170 -0.000 0.000 0.254 42 I C 2.201 178.352 176.117 0.056 0.000 1.156 42 I CA 1.023 62.391 61.300 0.114 0.000 1.433 42 I CB -0.399 37.704 38.000 0.170 0.000 1.082 42 I HN 0.269 nan 8.210 nan 0.000 0.432 43 L N -0.303 120.963 121.223 0.071 0.000 2.456 43 L HA -0.063 4.277 4.340 -0.000 0.000 0.224 43 L C 1.217 178.095 176.870 0.014 0.000 1.148 43 L CA 0.634 55.491 54.840 0.029 0.000 0.825 43 L CB -0.478 41.607 42.059 0.044 0.000 0.937 43 L HN 0.240 nan 8.230 nan 0.000 0.450 44 T N -1.775 112.802 114.554 0.039 0.000 2.916 44 T HA 0.254 4.604 4.350 -0.000 0.000 0.292 44 T C 0.470 175.181 174.700 0.017 0.000 1.064 44 T CA -0.556 61.562 62.100 0.030 0.000 1.011 44 T CB 1.835 70.743 68.868 0.067 0.000 1.152 44 T HN 0.089 nan 8.240 nan 0.000 0.510 45 E N 0.410 120.617 120.200 0.011 0.000 2.476 45 E HA 0.153 4.503 4.350 -0.000 0.000 0.199 45 E C -0.044 176.564 176.600 0.014 0.000 1.021 45 E CA 0.032 56.440 56.400 0.014 0.000 0.907 45 E CB 0.663 30.370 29.700 0.012 0.000 0.974 45 E HN 0.591 nan 8.360 nan 0.000 0.489 46 E N 1.872 122.080 120.200 0.013 0.000 2.343 46 E HA 0.163 4.513 4.350 -0.000 0.000 0.269 46 E C -2.499 174.089 176.600 -0.019 0.000 1.047 46 E CA -2.196 54.207 56.400 0.005 0.000 0.874 46 E CB 0.747 30.455 29.700 0.014 0.000 1.033 46 E HN -0.118 nan 8.360 nan 0.000 0.409 47 P HA -0.021 nan 4.420 nan 0.000 0.268 47 P C -0.978 176.245 177.300 -0.129 0.000 1.205 47 P CA 0.017 63.089 63.100 -0.047 0.000 0.771 47 P CB 0.523 32.215 31.700 -0.013 0.000 0.858 48 C N 1.797 120.970 119.300 -0.212 0.000 2.802 48 C HA 0.657 5.117 4.460 -0.000 0.000 0.307 48 C C -0.213 174.571 174.990 -0.344 0.000 1.222 48 C CA -0.170 58.559 59.018 -0.483 0.000 1.580 48 C CB 1.882 29.086 27.740 -0.894 0.000 2.119 48 C HN 0.446 nan 8.230 nan 0.000 0.479 49 T N 2.640 116.970 114.554 -0.374 0.000 2.881 49 T HA 0.614 4.964 4.350 -0.000 0.000 0.291 49 T C -0.795 173.788 174.700 -0.196 0.000 0.990 49 T CA -0.090 61.867 62.100 -0.239 0.000 0.976 49 T CB 0.571 69.387 68.868 -0.087 0.000 0.970 49 T HN 0.464 nan 8.240 nan 0.000 0.438 50 I N 2.485 122.938 120.570 -0.195 0.000 2.410 50 I HA 0.440 4.610 4.170 -0.000 0.000 0.286 50 I C 0.394 176.459 176.117 -0.087 0.000 1.009 50 I CA -0.662 60.620 61.300 -0.031 0.000 1.111 50 I CB 1.964 39.978 38.000 0.024 0.000 1.262 50 I HN 0.463 nan 8.210 nan 0.000 0.443 51 T N 3.339 117.869 114.554 -0.039 0.000 2.948 51 T HA 0.342 4.692 4.350 -0.000 0.000 0.285 51 T C 0.541 175.238 174.700 -0.005 0.000 1.019 51 T CA -0.155 61.917 62.100 -0.047 0.000 1.013 51 T CB 0.873 69.709 68.868 -0.054 0.000 1.117 51 T HN 0.756 nan 8.240 nan 0.000 0.533 52 N N 0.438 119.143 118.700 0.008 0.000 2.747 52 N HA -0.142 4.598 4.740 -0.000 0.000 0.249 52 N C -0.848 174.694 175.510 0.053 0.000 1.107 52 N CA 0.699 53.764 53.050 0.023 0.000 0.707 52 N CB -1.571 36.917 38.487 0.002 0.000 1.054 52 N HN 0.327 nan 8.380 nan 0.000 0.555 53 V N 1.842 121.812 119.914 0.092 0.000 2.406 53 V HA 0.402 4.522 4.120 -0.000 0.000 0.272 53 V C -1.608 174.608 176.094 0.202 0.000 1.043 53 V CA -1.113 61.252 62.300 0.109 0.000 0.915 53 V CB 1.374 33.239 31.823 0.070 0.000 0.988 53 V HN 0.152 nan 8.190 nan 0.000 0.466 54 P HA 0.097 nan 4.420 nan 0.000 0.275 54 P C -0.807 176.653 177.300 0.266 0.000 1.227 54 P CA -0.248 62.950 63.100 0.162 0.000 0.781 54 P CB 0.996 32.750 31.700 0.090 0.000 0.906 55 D N 3.665 124.231 120.400 0.278 0.000 2.468 55 D HA 0.348 4.988 4.640 -0.000 0.000 0.218 55 D C -0.637 175.776 176.300 0.188 0.000 1.155 55 D CA -0.123 54.081 54.000 0.340 0.000 0.924 55 D CB -0.799 40.109 40.800 0.180 0.000 1.029 55 D HN 0.128 nan 8.370 nan 0.000 0.515 56 L N 0.233 121.541 121.223 0.141 0.000 2.415 56 L HA 0.445 4.785 4.340 -0.000 0.000 0.256 56 L C 1.095 177.986 176.870 0.035 0.000 1.010 56 L CA -1.007 53.878 54.840 0.075 0.000 0.826 56 L CB 0.734 42.817 42.059 0.039 0.000 1.405 56 L HN 0.010 nan 8.230 nan 0.000 0.410 57 L N -0.599 120.626 121.223 0.003 0.000 2.051 57 L HA -0.214 4.126 4.340 -0.000 0.000 0.214 57 L C 1.549 178.397 176.870 -0.035 0.000 1.076 57 L CA 1.775 56.603 54.840 -0.021 0.000 0.758 57 L CB -0.420 41.572 42.059 -0.112 0.000 0.890 57 L HN 0.858 nan 8.230 nan 0.000 0.433 58 D N -0.585 119.780 120.400 -0.058 0.000 2.144 58 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 58 D C 2.289 178.551 176.300 -0.064 0.000 0.984 58 D CA 0.954 54.925 54.000 -0.049 0.000 0.834 58 D CB -0.150 40.618 40.800 -0.052 0.000 0.955 58 D HN 0.068 nan 8.370 nan 0.000 0.465 59 V N 0.648 120.508 119.914 -0.090 0.000 2.307 59 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 59 V C 2.430 178.405 176.094 -0.199 0.000 1.045 59 V CA 1.507 63.700 62.300 -0.178 0.000 1.024 59 V CB -0.274 31.416 31.823 -0.221 0.000 0.651 59 V HN 0.154 nan 8.190 nan 0.000 0.449 60 R N 0.092 120.529 120.500 -0.104 0.000 2.096 60 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 60 R C 2.187 178.463 176.300 -0.041 0.000 1.127 60 R CA 1.503 57.570 56.100 -0.055 0.000 0.968 60 R CB -0.422 29.905 30.300 0.045 0.000 0.861 60 R HN 0.528 nan 8.270 nan 0.000 0.440 61 N N -0.155 118.532 118.700 -0.023 0.000 2.244 61 N HA -0.091 4.649 4.740 -0.000 0.000 0.183 61 N C 1.575 177.075 175.510 -0.017 0.000 1.016 61 N CA 1.430 54.482 53.050 0.003 0.000 0.866 61 N CB -0.222 38.281 38.487 0.027 0.000 0.980 61 N HN 0.176 nan 8.380 nan 0.000 0.430 62 T N 1.881 116.389 114.554 -0.075 0.000 2.777 62 T HA 0.025 4.375 4.350 -0.000 0.000 0.266 62 T C 2.135 176.718 174.700 -0.194 0.000 1.040 62 T CA 0.570 62.571 62.100 -0.165 0.000 1.141 62 T CB -0.135 68.534 68.868 -0.331 0.000 0.868 62 T HN 0.149 nan 8.240 nan 0.000 0.444 63 L N 0.400 121.512 121.223 -0.185 0.000 2.083 63 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 63 L C 2.429 179.260 176.870 -0.065 0.000 1.083 63 L CA 0.642 55.391 54.840 -0.152 0.000 0.752 63 L CB -0.550 41.406 42.059 -0.172 0.000 0.899 63 L HN 0.220 nan 8.230 nan 0.000 0.433 64 L N -0.126 121.077 121.223 -0.034 0.000 2.046 64 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 64 L C 2.303 179.183 176.870 0.017 0.000 1.077 64 L CA 1.552 56.395 54.840 0.004 0.000 0.747 64 L CB -0.494 41.577 42.059 0.020 0.000 0.896 64 L HN 0.126 nan 8.230 nan 0.000 0.432 65 L N -0.808 120.431 121.223 0.026 0.000 2.017 65 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 65 L C 2.298 179.208 176.870 0.065 0.000 1.073 65 L CA 1.828 56.710 54.840 0.070 0.000 0.745 65 L CB -0.714 41.432 42.059 0.144 0.000 0.894 65 L HN 0.294 nan 8.230 nan 0.000 0.432 66 L N -0.877 120.358 121.223 0.021 0.000 2.083 66 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 66 L C 2.778 179.667 176.870 0.031 0.000 1.083 66 L CA 1.337 56.191 54.840 0.023 0.000 0.752 66 L CB -0.496 41.535 42.059 -0.048 0.000 0.899 66 L HN 0.250 nan 8.230 nan 0.000 0.433 67 R N -0.267 120.243 120.500 0.017 0.000 2.092 67 R HA -0.169 4.171 4.340 -0.000 0.000 0.231 67 R C 2.212 178.528 176.300 0.026 0.000 1.119 67 R CA 1.149 57.262 56.100 0.022 0.000 0.970 67 R CB -0.131 30.180 30.300 0.019 0.000 0.864 67 R HN 0.203 nan 8.270 nan 0.000 0.440 68 E N 0.678 120.895 120.200 0.029 0.000 2.153 68 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 68 E C 1.596 178.209 176.600 0.021 0.000 0.988 68 E CA 0.873 57.287 56.400 0.023 0.000 0.811 68 E CB 0.004 29.721 29.700 0.029 0.000 0.746 68 E HN 0.254 nan 8.360 nan 0.000 0.466 69 L N -1.593 119.657 121.223 0.046 0.000 2.552 69 L HA 0.115 4.454 4.340 -0.000 0.000 0.227 69 L C 1.394 178.300 176.870 0.061 0.000 1.146 69 L CA 0.623 55.500 54.840 0.061 0.000 0.858 69 L CB 0.001 42.132 42.059 0.120 0.000 0.969 69 L HN 0.395 nan 8.230 nan 0.000 0.451 70 G N -0.848 107.979 108.800 0.046 0.000 2.211 70 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.201 70 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.201 70 G C 0.386 175.316 174.900 0.050 0.000 0.997 70 G CA -0.180 44.947 45.100 0.045 0.000 0.652 70 G HN 0.418 nan 8.290 nan 0.000 0.500 71 A N 0.229 123.080 122.820 0.052 0.000 2.386 71 A HA 0.611 4.931 4.320 -0.000 0.000 0.248 71 A C 0.360 177.963 177.584 0.032 0.000 1.082 71 A CA 0.816 52.878 52.037 0.043 0.000 0.789 71 A CB 0.490 19.512 19.000 0.036 0.000 1.025 71 A HN 0.694 nan 8.150 nan 0.000 0.490 72 E N 0.756 120.975 120.200 0.031 0.000 2.145 72 E HA 0.542 4.892 4.350 -0.000 0.000 0.270 72 E C -1.288 175.335 176.600 0.039 0.000 0.906 72 E CA -0.598 55.821 56.400 0.032 0.000 0.761 72 E CB 0.637 30.354 29.700 0.028 0.000 1.116 72 E HN 0.645 nan 8.360 nan 0.000 0.408 73 L N 0.933 122.185 121.223 0.049 0.000 2.600 73 L HA 0.681 5.021 4.340 -0.000 0.000 0.257 73 L C -1.234 175.703 176.870 0.111 0.000 1.048 73 L CA -0.820 54.065 54.840 0.075 0.000 0.869 73 L CB 1.922 44.006 42.059 0.042 0.000 1.482 73 L HN 0.427 nan 8.230 nan 0.000 0.408 74 E N 0.512 120.824 120.200 0.187 0.000 2.356 74 E HA 0.552 4.902 4.350 -0.000 0.000 0.275 74 E C -2.073 174.745 176.600 0.365 0.000 0.904 74 E CA -0.533 56.013 56.400 0.243 0.000 0.757 74 E CB 3.099 32.935 29.700 0.226 0.000 1.232 74 E HN 0.531 nan 8.360 nan 0.000 0.442 75 F N 3.999 124.017 119.950 0.114 0.000 2.513 75 F HA 0.489 5.016 4.527 -0.000 0.000 0.358 75 F C -1.827 174.027 175.800 0.090 0.000 1.118 75 F CA -0.825 57.217 58.000 0.069 0.000 1.037 75 F CB 0.291 39.304 39.000 0.021 0.000 1.276 75 F HN 0.300 nan 8.300 nan 0.000 0.446 76 L N 5.419 126.658 121.223 0.027 0.000 2.455 76 L HA 0.374 4.713 4.340 -0.000 0.000 0.264 76 L C -0.203 176.610 176.870 -0.095 0.000 0.968 76 L CA -1.148 53.645 54.840 -0.079 0.000 0.827 76 L CB 2.076 44.195 42.059 0.100 0.000 1.317 76 L HN 0.444 nan 8.230 nan 0.000 0.407 77 N N 2.386 120.984 118.700 -0.170 0.000 2.725 77 N HA -0.243 4.497 4.740 -0.000 0.000 0.251 77 N C -0.156 175.287 175.510 -0.111 0.000 1.031 77 N CA 1.209 54.194 53.050 -0.108 0.000 0.720 77 N CB -1.089 37.390 38.487 -0.012 0.000 0.930 77 N HN 0.912 nan 8.380 nan 0.000 0.543 78 N N -2.357 116.204 118.700 -0.232 0.000 2.725 78 N HA -0.193 4.546 4.740 -0.000 0.000 0.249 78 N C -1.125 174.445 175.510 0.100 0.000 1.103 78 N CA 1.736 54.768 53.050 -0.031 0.000 0.707 78 N CB -0.759 37.737 38.487 0.014 0.000 1.043 78 N HN 0.437 nan 8.380 nan 0.000 0.553 79 T N -0.277 114.309 114.554 0.054 0.000 2.881 79 T HA 0.527 4.877 4.350 -0.000 0.000 0.290 79 T C -0.233 174.388 174.700 -0.132 0.000 1.000 79 T CA -0.559 61.468 62.100 -0.122 0.000 0.978 79 T CB 2.294 70.948 68.868 -0.358 0.000 0.997 79 T HN -0.102 nan 8.240 nan 0.000 0.443 80 V N 4.151 123.921 119.914 -0.240 0.000 2.370 80 V HA 0.505 4.625 4.120 -0.000 0.000 0.279 80 V C -0.946 174.901 176.094 -0.412 0.000 1.029 80 V CA -0.672 61.515 62.300 -0.189 0.000 0.870 80 V CB 0.467 32.186 31.823 -0.174 0.000 0.984 80 V HN 0.778 nan 8.190 nan 0.000 0.451 81 F N 6.062 126.030 119.950 0.031 0.000 2.375 81 F HA 0.666 5.193 4.527 -0.000 0.000 0.361 81 F C -0.158 175.624 175.800 -0.030 0.000 1.117 81 F CA -0.642 57.351 58.000 -0.013 0.000 1.037 81 F CB 1.505 40.508 39.000 0.004 0.000 1.192 81 F HN 0.329 nan 8.300 nan 0.000 0.452 82 I N 3.698 124.306 120.570 0.062 0.000 2.545 82 I HA 0.453 4.623 4.170 -0.000 0.000 0.292 82 I C -1.110 175.008 176.117 0.001 0.000 1.040 82 I CA -0.728 60.582 61.300 0.017 0.000 1.068 82 I CB 1.728 39.704 38.000 -0.040 0.000 1.251 82 I HN 0.484 nan 8.210 nan 0.000 0.424 83 N N 8.750 127.460 118.700 0.017 0.000 2.609 83 N HA 0.479 5.218 4.740 -0.000 0.000 0.234 83 N C -2.469 173.052 175.510 0.018 0.000 1.001 83 N CA -2.441 50.617 53.050 0.014 0.000 0.926 83 N CB 1.262 39.762 38.487 0.021 0.000 1.130 83 N HN 0.319 nan 8.380 nan 0.000 0.510 84 P HA 0.019 nan 4.420 nan 0.000 0.237 84 P C -0.637 176.695 177.300 0.052 0.000 1.701 84 P CA -0.024 63.096 63.100 0.034 0.000 0.955 84 P CB -0.993 30.724 31.700 0.030 0.000 1.937 85 S N 0.171 115.904 115.700 0.055 0.000 4.069 85 S HA 0.201 4.671 4.470 -0.000 0.000 0.192 85 S C 0.446 175.107 174.600 0.102 0.000 1.441 85 S CA -0.730 57.512 58.200 0.069 0.000 0.994 85 S CB -1.194 62.038 63.200 0.052 0.000 1.456 85 S HN 0.020 nan 8.310 nan 0.000 0.458 86 I N 3.695 124.352 120.570 0.144 0.000 2.618 86 I HA 0.127 4.297 4.170 -0.000 0.000 0.284 86 I C 1.237 177.536 176.117 0.305 0.000 1.146 86 I CA 0.097 61.532 61.300 0.224 0.000 1.425 86 I CB 0.217 38.397 38.000 0.301 0.000 1.383 86 I HN 0.618 nan 8.210 nan 0.000 0.562 87 N N 3.226 122.034 118.700 0.180 0.000 2.240 87 N HA 0.136 4.876 4.740 -0.000 0.000 0.240 87 N C -0.392 175.044 175.510 -0.123 0.000 1.277 87 N CA -0.223 52.877 53.050 0.083 0.000 0.873 87 N CB 0.973 39.484 38.487 0.041 0.000 1.222 87 N HN 0.473 nan 8.380 nan 0.000 0.507 88 S N 0.103 115.708 115.700 -0.158 0.000 2.550 88 S HA 0.622 5.092 4.470 -0.000 0.000 0.270 88 S C -1.606 172.828 174.600 -0.276 0.000 1.145 88 S CA -0.750 57.224 58.200 -0.376 0.000 0.852 88 S CB 0.340 63.390 63.200 -0.251 0.000 1.119 88 S HN 0.196 nan 8.310 nan 0.000 0.465 89 F N 1.536 121.336 119.950 -0.251 0.000 2.835 89 F HA 0.618 5.145 4.527 -0.000 0.000 0.342 89 F C -0.634 175.120 175.800 -0.077 0.000 1.202 89 F CA -0.784 57.146 58.000 -0.116 0.000 1.240 89 F CB -0.245 38.657 39.000 -0.164 0.000 1.005 89 F HN 0.240 nan 8.300 nan 0.000 0.507 90 I N 1.517 122.027 120.570 -0.100 0.000 2.355 90 I HA 0.308 4.478 4.170 -0.000 0.000 0.288 90 I C -0.352 175.771 176.117 0.011 0.000 0.999 90 I CA -0.523 60.737 61.300 -0.066 0.000 1.163 90 I CB 1.910 39.787 38.000 -0.204 0.000 1.316 90 I HN 0.039 nan 8.210 nan 0.000 0.454 91 T N 5.230 119.828 114.554 0.074 0.000 2.832 91 T HA 0.191 4.541 4.350 -0.000 0.000 0.313 91 T C 0.104 174.899 174.700 0.158 0.000 1.035 91 T CA -0.687 61.468 62.100 0.092 0.000 0.950 91 T CB 0.012 68.918 68.868 0.064 0.000 0.984 91 T HN 0.665 nan 8.240 nan 0.000 0.486 92 N N 2.475 121.264 118.700 0.148 0.000 2.416 92 N HA -0.003 4.736 4.740 -0.000 0.000 0.246 92 N C 1.227 176.790 175.510 0.089 0.000 1.260 92 N CA -0.284 52.897 53.050 0.219 0.000 0.897 92 N CB 0.658 39.227 38.487 0.137 0.000 1.110 92 N HN 0.264 nan 8.380 nan 0.000 0.439 93 Q N 0.192 120.002 119.800 0.018 0.000 2.135 93 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 93 Q C 1.600 177.561 176.000 -0.066 0.000 0.981 93 Q CA 1.916 57.617 55.803 -0.171 0.000 0.856 93 Q CB -0.335 28.259 28.738 -0.239 0.000 0.902 93 Q HN 0.867 nan 8.270 nan 0.000 0.425 94 E N -0.517 119.680 120.200 -0.005 0.000 2.058 94 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 94 E C 1.863 178.466 176.600 0.005 0.000 0.997 94 E CA 1.512 57.913 56.400 0.002 0.000 0.801 94 E CB -0.232 29.479 29.700 0.019 0.000 0.746 94 E HN 0.522 nan 8.360 nan 0.000 0.450 95 I N 0.975 121.556 120.570 0.019 0.000 2.315 95 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 95 I C 2.348 178.475 176.117 0.016 0.000 1.117 95 I CA 0.485 61.803 61.300 0.031 0.000 1.404 95 I CB -0.200 37.832 38.000 0.053 0.000 1.071 95 I HN 0.262 nan 8.210 nan 0.000 0.419 96 I N 0.639 121.200 120.570 -0.015 0.000 2.226 96 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 96 I C 2.636 178.729 176.117 -0.040 0.000 1.100 96 I CA 1.396 62.670 61.300 -0.042 0.000 1.374 96 I CB -0.985 36.956 38.000 -0.099 0.000 1.057 96 I HN 0.228 nan 8.210 nan 0.000 0.413 97 R N 1.110 121.586 120.500 -0.041 0.000 2.148 97 R HA -0.134 4.205 4.340 -0.000 0.000 0.227 97 R C 2.294 178.591 176.300 -0.006 0.000 1.103 97 R CA 1.235 57.316 56.100 -0.032 0.000 0.983 97 R CB -0.438 29.840 30.300 -0.036 0.000 0.874 97 R HN 0.229 nan 8.270 nan 0.000 0.451 98 R N -1.166 119.339 120.500 0.008 0.000 2.161 98 R HA 0.163 4.503 4.340 -0.000 0.000 0.213 98 R C -0.023 176.301 176.300 0.041 0.000 1.055 98 R CA 1.036 57.157 56.100 0.035 0.000 0.996 98 R CB 0.205 30.531 30.300 0.044 0.000 0.901 98 R HN 0.184 nan 8.270 nan 0.000 0.456 99 M N 1.124 120.740 119.600 0.026 0.000 2.295 99 M HA 0.139 4.619 4.480 -0.000 0.000 0.219 99 M C 0.139 176.445 176.300 0.010 0.000 0.981 99 M CA -0.510 54.805 55.300 0.025 0.000 1.019 99 M CB 1.058 33.685 32.600 0.045 0.000 2.528 99 M HN 0.078 nan 8.290 nan 0.000 0.445 100 R N 1.891 122.384 120.500 -0.012 0.000 2.200 100 R HA -0.046 4.294 4.340 -0.000 0.000 0.234 100 R C 1.060 177.335 176.300 -0.041 0.000 1.127 100 R CA 1.760 57.837 56.100 -0.038 0.000 0.989 100 R CB -0.483 29.788 30.300 -0.048 0.000 0.869 100 R HN 0.650 nan 8.270 nan 0.000 0.459 101 A N 1.090 123.907 122.820 -0.005 0.000 2.216 101 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 101 A C 1.892 179.458 177.584 -0.029 0.000 1.160 101 A CA 1.117 53.160 52.037 0.009 0.000 0.725 101 A CB -0.326 18.713 19.000 0.064 0.000 0.784 101 A HN 0.430 nan 8.150 nan 0.000 0.472 102 S N -0.485 115.206 115.700 -0.014 0.000 2.500 102 S HA -0.087 4.382 4.470 -0.000 0.000 0.239 102 S C 1.564 176.003 174.600 -0.268 0.000 0.989 102 S CA 1.011 59.176 58.200 -0.058 0.000 0.951 102 S CB -0.262 62.966 63.200 0.047 0.000 0.759 102 S HN 0.404 nan 8.310 nan 0.000 0.523 103 V N 1.782 121.574 119.914 -0.203 0.000 2.867 103 V HA -0.096 4.023 4.120 -0.000 0.000 0.260 103 V C 1.800 177.757 176.094 -0.228 0.000 1.099 103 V CA 1.134 63.319 62.300 -0.192 0.000 1.122 103 V CB -0.675 31.034 31.823 -0.189 0.000 0.708 103 V HN 0.519 nan 8.190 nan 0.000 0.490 104 L N 0.676 121.656 121.223 -0.404 0.000 2.456 104 L HA -0.104 4.236 4.340 -0.000 0.000 0.224 104 L C 2.466 178.956 176.870 -0.634 0.000 1.148 104 L CA 1.320 55.887 54.840 -0.455 0.000 0.825 104 L CB -0.467 41.304 42.059 -0.480 0.000 0.937 104 L HN 0.563 nan 8.230 nan 0.000 0.450 105 S N -0.670 114.574 115.700 -0.761 0.000 2.489 105 S HA -0.116 4.353 4.470 -0.000 0.000 0.228 105 S C 1.807 176.347 174.600 -0.100 0.000 0.995 105 S CA 0.205 58.186 58.200 -0.364 0.000 0.934 105 S CB -0.219 62.878 63.200 -0.172 0.000 0.771 105 S HN 0.296 nan 8.310 nan 0.000 0.522 106 L N 2.859 124.010 121.223 -0.120 0.000 1.994 106 L HA 0.168 4.508 4.340 -0.000 0.000 0.208 106 L C 2.482 179.294 176.870 -0.097 0.000 1.071 106 L CA 2.151 56.910 54.840 -0.136 0.000 0.745 106 L CB -1.511 40.431 42.059 -0.193 0.000 0.892 106 L HN 0.350 nan 8.230 nan 0.000 0.431 107 G N -0.592 108.284 108.800 0.126 0.000 2.459 107 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 107 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 107 G C -0.659 174.407 174.900 0.277 0.000 1.183 107 G CA 0.987 46.306 45.100 0.365 0.000 0.776 107 G HN 0.386 nan 8.290 nan 0.000 0.552 108 P HA -0.024 nan 4.420 nan 0.000 0.215 108 P C 2.129 179.507 177.300 0.131 0.000 1.157 108 P CA 0.673 63.867 63.100 0.156 0.000 0.863 108 P CB -0.132 31.669 31.700 0.168 0.000 0.787 109 L N -1.644 119.668 121.223 0.148 0.000 2.042 109 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 109 L C 2.376 179.350 176.870 0.173 0.000 1.076 109 L CA 1.073 56.047 54.840 0.223 0.000 0.749 109 L CB -0.927 41.288 42.059 0.259 0.000 0.893 109 L HN 0.001 nan 8.230 nan 0.000 0.432 110 L N 0.007 121.283 121.223 0.089 0.000 2.093 110 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 110 L C 2.352 179.338 176.870 0.194 0.000 1.085 110 L CA 1.958 56.834 54.840 0.060 0.000 0.755 110 L CB -0.921 41.077 42.059 -0.102 0.000 0.904 110 L HN 0.137 nan 8.230 nan 0.000 0.435 111 G N -1.313 107.649 108.800 0.269 0.000 2.443 111 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 111 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 111 G C 1.823 176.722 174.900 -0.001 0.000 1.131 111 G CA 0.701 45.906 45.100 0.175 0.000 0.775 111 G HN 0.393 nan 8.290 nan 0.000 0.547 112 R N -1.210 119.229 120.500 -0.102 0.000 2.112 112 R HA 0.208 4.548 4.340 -0.000 0.000 0.216 112 R C 1.436 177.440 176.300 -0.494 0.000 1.080 112 R CA 0.694 56.566 56.100 -0.379 0.000 0.996 112 R CB -0.033 29.882 30.300 -0.642 0.000 0.902 112 R HN 0.345 nan 8.270 nan 0.000 0.449 113 F N -1.325 118.643 119.950 0.030 0.000 2.727 113 F HA 0.418 4.945 4.527 -0.000 0.000 0.302 113 F C 1.411 177.158 175.800 -0.089 0.000 1.107 113 F CA 0.364 58.351 58.000 -0.022 0.000 1.277 113 F CB 1.055 40.031 39.000 -0.041 0.000 1.079 113 F HN 0.248 nan 8.300 nan 0.000 0.594 114 G N 1.069 109.916 108.800 0.078 0.000 2.184 114 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 114 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 114 G C 0.385 175.231 174.900 -0.091 0.000 0.975 114 G CA 0.030 45.141 45.100 0.018 0.000 0.642 114 G HN 0.365 nan 8.290 nan 0.000 0.536 115 R N -0.732 119.653 120.500 -0.191 0.000 2.707 115 R HA 0.778 5.117 4.340 -0.000 0.000 0.272 115 R C -0.750 175.260 176.300 -0.483 0.000 1.011 115 R CA -0.151 55.692 56.100 -0.428 0.000 0.893 115 R CB 2.119 31.968 30.300 -0.752 0.000 1.233 115 R HN 1.117 nan 8.270 nan 0.000 0.464 116 A N 1.081 123.698 122.820 -0.339 0.000 2.594 116 A HA 0.558 4.878 4.320 -0.000 0.000 0.296 116 A C -1.643 175.926 177.584 -0.026 0.000 1.061 116 A CA -0.588 51.398 52.037 -0.085 0.000 0.689 116 A CB 1.911 20.859 19.000 -0.087 0.000 1.280 116 A HN 0.295 nan 8.150 nan 0.000 0.406 117 V N 2.024 121.979 119.914 0.068 0.000 2.398 117 V HA 0.524 4.644 4.120 -0.000 0.000 0.282 117 V C -0.665 175.417 176.094 -0.020 0.000 1.014 117 V CA -0.497 61.719 62.300 -0.141 0.000 0.838 117 V CB 1.163 32.837 31.823 -0.248 0.000 1.018 117 V HN 0.762 nan 8.190 nan 0.000 0.432 118 V N 3.095 123.002 119.914 -0.011 0.000 2.487 118 V HA 0.685 4.804 4.120 -0.000 0.000 0.298 118 V C 0.945 177.037 176.094 -0.004 0.000 1.028 118 V CA -0.547 61.772 62.300 0.032 0.000 0.860 118 V CB 1.964 33.755 31.823 -0.054 0.000 0.991 118 V HN 0.874 nan 8.190 nan 0.000 0.427 119 G N 3.249 111.976 108.800 -0.121 0.000 2.414 119 G HA2 0.315 4.275 3.960 -0.000 0.000 0.236 119 G HA3 0.315 4.275 3.960 -0.000 0.000 0.236 119 G C -0.575 174.153 174.900 -0.286 0.000 1.293 119 G CA -0.102 44.682 45.100 -0.526 0.000 0.869 119 G HN 0.605 nan 8.290 nan 0.000 0.556 120 L N 4.452 125.511 121.223 -0.275 0.000 2.319 120 L HA 0.408 4.748 4.340 -0.000 0.000 0.280 120 L C -1.831 174.952 176.870 -0.145 0.000 1.099 120 L CA -1.580 53.165 54.840 -0.159 0.000 0.828 120 L CB 1.071 43.067 42.059 -0.105 0.000 1.150 120 L HN 0.274 nan 8.230 nan 0.000 0.442 121 P HA 0.194 nan 4.420 nan 0.000 0.267 121 P C -0.222 177.035 177.300 -0.071 0.000 1.200 121 P CA -0.072 62.972 63.100 -0.094 0.000 0.772 121 P CB 0.585 32.232 31.700 -0.088 0.000 0.855 122 G N 0.921 109.686 108.800 -0.058 0.000 2.606 122 G HA2 0.536 4.496 3.960 -0.000 0.000 0.262 122 G HA3 0.536 4.496 3.960 -0.000 0.000 0.262 122 G C 0.090 174.975 174.900 -0.024 0.000 1.394 122 G CA -0.522 44.555 45.100 -0.039 0.000 1.044 122 G HN 0.609 nan 8.290 nan 0.000 0.553 123 G N -2.132 106.662 108.800 -0.010 0.000 2.634 123 G HA2 0.409 4.369 3.960 -0.000 0.000 0.255 123 G HA3 0.409 4.369 3.960 -0.000 0.000 0.255 123 G C -0.428 174.466 174.900 -0.010 0.000 1.205 123 G CA 0.324 45.425 45.100 0.002 0.000 0.884 123 G HN 0.913 nan 8.290 nan 0.000 0.549 124 C N -0.266 119.023 119.300 -0.018 0.000 2.889 124 C HA 0.628 5.088 4.460 -0.000 0.000 0.307 124 C C 1.990 176.953 174.990 -0.045 0.000 1.251 124 C CA 0.188 59.175 59.018 -0.052 0.000 1.593 124 C CB 1.152 28.827 27.740 -0.109 0.000 2.104 124 C HN 1.037 nan 8.230 nan 0.000 0.476 125 S N 2.522 118.189 115.700 -0.055 0.000 2.447 125 S HA -0.103 4.367 4.470 -0.000 0.000 0.233 125 S C 1.303 175.842 174.600 -0.102 0.000 1.006 125 S CA 1.189 59.385 58.200 -0.007 0.000 0.957 125 S CB -0.287 62.876 63.200 -0.062 0.000 0.773 125 S HN 0.722 nan 8.310 nan 0.000 0.507 126 I N 1.865 122.223 120.570 -0.354 0.000 2.761 126 I HA 0.331 4.501 4.170 -0.000 0.000 0.261 126 I C 1.466 176.932 176.117 -1.086 0.000 1.198 126 I CA 0.459 61.347 61.300 -0.685 0.000 1.482 126 I CB -1.738 35.799 38.000 -0.771 0.000 1.100 126 I HN 0.589 nan 8.210 nan 0.000 0.445 127 G N -0.996 107.410 108.800 -0.656 0.000 2.339 127 G HA2 0.357 4.316 3.960 -0.000 0.000 0.302 127 G HA3 0.357 4.316 3.960 -0.000 0.000 0.302 127 G C 0.432 175.317 174.900 -0.025 0.000 1.425 127 G CA -0.188 44.734 45.100 -0.296 0.000 0.899 127 G HN 0.031 nan 8.290 nan 0.000 0.619 128 A N -0.123 122.745 122.820 0.080 0.000 1.908 128 A HA 0.130 4.450 4.320 -0.000 0.000 0.218 128 A C 1.622 179.231 177.584 0.042 0.000 1.181 128 A CA 2.158 54.233 52.037 0.064 0.000 0.627 128 A CB -0.630 18.416 19.000 0.077 0.000 0.818 128 A HN 1.609 nan 8.150 nan 0.000 0.445 129 R N -1.183 119.358 120.500 0.069 0.000 3.127 129 R HA -0.120 4.220 4.340 -0.000 0.000 0.247 129 R C -2.387 173.948 176.300 0.059 0.000 0.896 129 R CA 0.388 56.541 56.100 0.089 0.000 0.624 129 R CB -1.903 28.440 30.300 0.072 0.000 1.154 129 R HN 0.564 nan 8.270 nan 0.000 0.474 130 P HA 0.075 nan 4.420 nan 0.000 0.274 130 P C 0.575 177.912 177.300 0.062 0.000 1.246 130 P CA -0.075 63.055 63.100 0.049 0.000 0.795 130 P CB 0.471 32.207 31.700 0.060 0.000 1.006 131 I N -2.441 118.152 120.570 0.039 0.000 3.654 131 I HA 0.161 4.331 4.170 -0.000 0.000 0.337 131 I C 1.083 177.308 176.117 0.178 0.000 1.568 131 I CA -0.458 60.880 61.300 0.065 0.000 1.115 131 I CB -0.312 37.554 38.000 -0.224 0.000 1.300 131 I HN 0.119 nan 8.210 nan 0.000 0.471 132 D N 0.899 121.394 120.400 0.157 0.000 2.158 132 D HA -0.275 4.365 4.640 -0.000 0.000 0.197 132 D C 1.425 177.852 176.300 0.211 0.000 0.995 132 D CA 1.398 55.491 54.000 0.155 0.000 0.846 132 D CB -0.055 40.818 40.800 0.122 0.000 0.941 132 D HN 0.474 nan 8.370 nan 0.000 0.456 133 Q N 0.184 120.151 119.800 0.278 0.000 2.119 133 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 133 Q C 2.303 178.477 176.000 0.290 0.000 0.972 133 Q CA 0.950 56.955 55.803 0.337 0.000 0.847 133 Q CB -0.574 28.410 28.738 0.411 0.000 0.903 133 Q HN 0.710 nan 8.270 nan 0.000 0.433 134 H N 0.295 119.476 119.070 0.184 0.000 2.299 134 H HA -0.026 4.530 4.556 -0.000 0.000 0.302 134 H C 2.316 177.756 175.328 0.186 0.000 1.078 134 H CA 1.027 57.177 56.048 0.171 0.000 1.323 134 H CB 0.057 29.945 29.762 0.211 0.000 1.381 134 H HN 0.161 nan 8.280 nan 0.000 0.498 135 L N 0.736 122.157 121.223 0.331 0.000 2.083 135 L HA -0.176 4.163 4.340 -0.000 0.000 0.209 135 L C 2.694 179.622 176.870 0.096 0.000 1.083 135 L CA 1.146 56.129 54.840 0.238 0.000 0.752 135 L CB -0.353 41.797 42.059 0.151 0.000 0.899 135 L HN 0.189 nan 8.230 nan 0.000 0.433 136 K N 0.183 120.616 120.400 0.054 0.000 2.057 136 K HA -0.236 4.084 4.320 -0.000 0.000 0.207 136 K C 2.196 178.588 176.600 -0.347 0.000 1.049 136 K CA 1.497 57.768 56.287 -0.027 0.000 0.931 136 K CB -0.179 32.398 32.500 0.128 0.000 0.714 136 K HN 0.117 nan 8.250 nan 0.000 0.440 137 F N 0.719 120.175 119.950 -0.824 0.000 2.102 137 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 137 F C 1.514 176.800 175.800 -0.856 0.000 1.105 137 F CA 1.455 58.562 58.000 -1.489 0.000 1.239 137 F CB -0.432 37.667 39.000 -1.503 0.000 0.991 137 F HN -0.047 nan 8.300 nan 0.000 0.474 138 F N 1.090 120.693 119.950 -0.579 0.000 2.216 138 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 138 F C 2.287 177.794 175.800 -0.487 0.000 1.085 138 F CA 1.444 59.087 58.000 -0.596 0.000 1.326 138 F CB -0.864 37.967 39.000 -0.282 0.000 1.027 138 F HN -0.044 nan 8.300 nan 0.000 0.497 139 K N -0.194 120.085 120.400 -0.202 0.000 2.062 139 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 139 K C 1.964 178.437 176.600 -0.212 0.000 1.051 139 K CA 1.396 57.593 56.287 -0.149 0.000 0.941 139 K CB -0.227 32.226 32.500 -0.079 0.000 0.719 139 K HN 0.045 nan 8.250 nan 0.000 0.440 140 E N 1.224 121.232 120.200 -0.320 0.000 2.268 140 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 140 E C 1.402 177.808 176.600 -0.324 0.000 0.995 140 E CA 1.080 57.322 56.400 -0.262 0.000 0.836 140 E CB -0.044 29.530 29.700 -0.211 0.000 0.763 140 E HN 0.283 nan 8.360 nan 0.000 0.491 141 A N -0.578 121.922 122.820 -0.533 0.000 2.235 141 A HA 0.346 4.666 4.320 -0.000 0.000 0.208 141 A C 1.765 179.234 177.584 -0.192 0.000 1.172 141 A CA 0.876 52.658 52.037 -0.425 0.000 0.786 141 A CB -0.580 18.006 19.000 -0.690 0.000 0.804 141 A HN 0.512 nan 8.150 nan 0.000 0.479 142 G N -2.364 106.336 108.800 -0.168 0.000 2.141 142 G HA2 0.134 4.094 3.960 -0.000 0.000 0.231 142 G HA3 0.134 4.094 3.960 -0.000 0.000 0.231 142 G C 0.333 175.183 174.900 -0.083 0.000 0.984 142 G CA 0.215 45.260 45.100 -0.091 0.000 0.660 142 G HN 1.518 nan 8.290 nan 0.000 0.525 143 A N 0.011 122.762 122.820 -0.115 0.000 2.302 143 A HA 0.610 4.930 4.320 -0.000 0.000 0.285 143 A C -0.013 177.530 177.584 -0.068 0.000 1.105 143 A CA -0.258 51.721 52.037 -0.097 0.000 0.816 143 A CB 0.545 19.465 19.000 -0.134 0.000 1.067 143 A HN 0.206 nan 8.150 nan 0.000 0.489 144 D N 1.287 121.654 120.400 -0.055 0.000 2.295 144 D HA 0.403 5.043 4.640 -0.000 0.000 0.248 144 D C -0.789 175.496 176.300 -0.024 0.000 1.154 144 D CA 0.297 54.276 54.000 -0.034 0.000 0.857 144 D CB 1.519 42.303 40.800 -0.028 0.000 1.117 144 D HN 0.128 nan 8.370 nan 0.000 0.468 145 V N 3.240 123.149 119.914 -0.008 0.000 2.487 145 V HA 0.334 4.454 4.120 -0.000 0.000 0.298 145 V C -0.063 176.054 176.094 0.039 0.000 1.028 145 V CA -0.651 61.658 62.300 0.014 0.000 0.860 145 V CB 1.893 33.726 31.823 0.016 0.000 0.991 145 V HN 0.410 nan 8.190 nan 0.000 0.427 146 E N 3.150 123.398 120.200 0.080 0.000 2.308 146 E HA 0.584 4.933 4.350 -0.000 0.000 0.275 146 E C -1.619 175.081 176.600 0.166 0.000 0.890 146 E CA -0.793 55.661 56.400 0.090 0.000 0.754 146 E CB 3.019 32.749 29.700 0.051 0.000 1.207 146 E HN 0.385 nan 8.360 nan 0.000 0.426 147 V N 3.622 123.614 119.914 0.129 0.000 2.350 147 V HA 0.488 4.607 4.120 -0.000 0.000 0.276 147 V C -0.190 176.005 176.094 0.168 0.000 1.028 147 V CA -0.545 61.849 62.300 0.156 0.000 0.860 147 V CB 0.614 32.490 31.823 0.088 0.000 0.990 147 V HN 0.532 nan 8.190 nan 0.000 0.453 148 R N 3.395 124.065 120.500 0.283 0.000 2.626 148 R HA 0.422 4.761 4.340 -0.000 0.000 0.274 148 R C -0.197 176.304 176.300 0.336 0.000 1.031 148 R CA -0.686 55.552 56.100 0.230 0.000 0.898 148 R CB 1.805 32.165 30.300 0.100 0.000 1.222 148 R HN 0.709 nan 8.270 nan 0.000 0.455 149 E N 0.586 120.919 120.200 0.222 0.000 2.722 149 E HA -0.238 4.112 4.350 -0.000 0.000 0.265 149 E C 0.603 177.363 176.600 0.266 0.000 1.081 149 E CA 1.361 57.909 56.400 0.248 0.000 0.781 149 E CB -1.346 28.541 29.700 0.312 0.000 1.372 149 E HN 1.155 nan 8.360 nan 0.000 0.423 150 G N -1.070 107.817 108.800 0.145 0.000 2.155 150 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.257 150 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.257 150 G C -0.102 174.712 174.900 -0.143 0.000 0.983 150 G CA 0.866 45.962 45.100 -0.007 0.000 0.676 150 G HN 0.323 nan 8.290 nan 0.000 0.528 151 Y N -1.646 118.661 120.300 0.012 0.000 2.509 151 Y HA 0.595 5.144 4.550 -0.000 0.000 0.341 151 Y C 0.335 176.176 175.900 -0.098 0.000 1.038 151 Y CA -0.829 57.203 58.100 -0.113 0.000 1.089 151 Y CB 2.334 40.617 38.460 -0.295 0.000 1.241 151 Y HN 0.196 nan 8.280 nan 0.000 0.468 152 V N 4.654 124.562 119.914 -0.010 0.000 2.350 152 V HA 0.349 4.468 4.120 -0.000 0.000 0.276 152 V C -1.471 174.570 176.094 -0.089 0.000 1.028 152 V CA -0.558 61.744 62.300 0.003 0.000 0.860 152 V CB -0.147 31.661 31.823 -0.026 0.000 0.990 152 V HN 0.640 nan 8.190 nan 0.000 0.453 153 Y N 5.028 125.347 120.300 0.031 0.000 2.367 153 Y HA 0.565 5.115 4.550 -0.000 0.000 0.342 153 Y C 0.247 176.116 175.900 -0.051 0.000 0.979 153 Y CA -0.412 57.688 58.100 0.000 0.000 1.161 153 Y CB 1.696 40.159 38.460 0.005 0.000 1.155 153 Y HN 0.429 nan 8.280 nan 0.000 0.503 154 V N 4.497 124.411 119.914 0.000 0.000 2.448 154 V HA 0.368 4.488 4.120 -0.000 0.000 0.295 154 V C -0.534 175.497 176.094 -0.105 0.000 1.025 154 V CA -1.046 61.200 62.300 -0.090 0.000 0.859 154 V CB 1.618 33.299 31.823 -0.237 0.000 0.988 154 V HN 0.760 nan 8.190 nan 0.000 0.431 155 N N 3.921 122.570 118.700 -0.084 0.000 2.295 155 N HA 0.494 5.234 4.740 -0.000 0.000 0.293 155 N C -1.936 173.527 175.510 -0.078 0.000 1.040 155 N CA -0.476 52.522 53.050 -0.086 0.000 0.840 155 N CB 2.487 40.943 38.487 -0.052 0.000 1.468 155 N HN 0.589 nan 8.380 nan 0.000 0.478 156 L N 4.013 125.193 121.223 -0.071 0.000 2.319 156 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 156 L C 1.167 178.028 176.870 -0.015 0.000 1.005 156 L CA -0.217 54.599 54.840 -0.040 0.000 0.828 156 L CB 1.164 43.214 42.059 -0.016 0.000 1.227 156 L HN 0.562 nan 8.230 nan 0.000 0.415 157 K N 2.822 123.216 120.400 -0.011 0.000 2.103 157 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 157 K C -0.409 176.197 176.600 0.011 0.000 1.052 157 K CA 1.339 57.624 56.287 -0.003 0.000 0.945 157 K CB 0.158 32.655 32.500 -0.006 0.000 0.722 157 K HN 0.777 nan 8.250 nan 0.000 0.443 158 E N -0.166 120.047 120.200 0.021 0.000 2.388 158 E HA 0.239 4.589 4.350 -0.000 0.000 0.282 158 E C -1.630 175.006 176.600 0.059 0.000 1.026 158 E CA -0.922 55.498 56.400 0.034 0.000 0.820 158 E CB 1.144 30.857 29.700 0.022 0.000 1.226 158 E HN -0.194 nan 8.360 nan 0.000 0.432 159 K N 2.098 122.541 120.400 0.071 0.000 2.298 159 K HA 0.353 4.673 4.320 -0.000 0.000 0.280 159 K C -0.047 176.590 176.600 0.062 0.000 1.032 159 K CA -0.226 56.121 56.287 0.100 0.000 0.958 159 K CB 0.793 33.326 32.500 0.055 0.000 0.978 159 K HN 0.604 nan 8.250 nan 0.000 0.472 160 R N 1.039 121.585 120.500 0.078 0.000 2.764 160 R HA 0.341 4.681 4.340 -0.000 0.000 0.270 160 R C -0.921 175.414 176.300 0.058 0.000 1.014 160 R CA -1.276 54.853 56.100 0.049 0.000 0.904 160 R CB 0.981 31.304 30.300 0.039 0.000 1.236 160 R HN 0.628 nan 8.270 nan 0.000 0.466 161 R N 0.827 121.354 120.500 0.045 0.000 2.734 161 R HA 0.351 4.690 4.340 -0.000 0.000 0.266 161 R C -0.753 175.594 176.300 0.078 0.000 1.044 161 R CA -0.545 55.588 56.100 0.055 0.000 1.128 161 R CB 0.464 30.791 30.300 0.046 0.000 1.010 161 R HN 0.281 nan 8.270 nan 0.000 0.461 162 V N 1.395 121.373 119.914 0.108 0.000 2.789 162 V HA 0.276 4.395 4.120 -0.000 0.000 0.311 162 V C -0.831 175.388 176.094 0.209 0.000 1.073 162 V CA -0.791 61.589 62.300 0.134 0.000 0.921 162 V CB 1.726 33.630 31.823 0.135 0.000 1.009 162 V HN 0.915 nan 8.190 nan 0.000 0.426 163 H N 3.951 123.077 119.070 0.093 0.000 2.991 163 H HA 0.591 5.147 4.556 -0.000 0.000 0.304 163 H C -2.072 173.335 175.328 0.130 0.000 1.040 163 H CA -0.545 55.556 56.048 0.088 0.000 1.410 163 H CB 1.126 30.917 29.762 0.048 0.000 1.529 163 H HN 0.589 nan 8.280 nan 0.000 0.509 164 F N 4.764 124.808 119.950 0.157 0.000 2.556 164 F HA 0.395 4.922 4.527 -0.000 0.000 0.314 164 F C -1.529 174.200 175.800 -0.118 0.000 1.106 164 F CA -0.833 57.139 58.000 -0.046 0.000 0.911 164 F CB 1.624 40.618 39.000 -0.010 0.000 1.190 164 F HN 0.355 nan 8.300 nan 0.000 0.448 165 K N 6.136 125.871 120.400 -1.109 0.000 2.358 165 K HA 0.413 4.733 4.320 -0.000 0.000 0.260 165 K C -1.468 174.424 176.600 -1.179 0.000 0.956 165 K CA -0.543 55.264 56.287 -0.799 0.000 0.834 165 K CB 0.821 33.062 32.500 -0.433 0.000 1.102 165 K HN 0.557 nan 8.250 nan 0.000 0.431 166 F N 2.719 122.334 119.950 -0.559 0.000 2.529 166 F HA 0.005 4.532 4.527 -0.000 0.000 0.365 166 F C 1.475 177.152 175.800 -0.206 0.000 1.102 166 F CA 0.162 57.997 58.000 -0.275 0.000 1.271 166 F CB 0.732 39.700 39.000 -0.054 0.000 1.120 166 F HN 0.637 nan 8.300 nan 0.000 0.579 167 D N 2.163 122.593 120.400 0.050 0.000 2.312 167 D HA 0.004 4.644 4.640 -0.000 0.000 0.211 167 D C 0.047 176.373 176.300 0.044 0.000 0.964 167 D CA 1.142 55.153 54.000 0.018 0.000 0.877 167 D CB 0.065 40.887 40.800 0.036 0.000 0.924 167 D HN 0.284 nan 8.370 nan 0.000 0.515 168 L N -3.512 117.765 121.223 0.090 0.000 2.540 168 L HA 0.441 4.781 4.340 -0.000 0.000 0.256 168 L C -0.726 176.141 176.870 -0.005 0.000 1.001 168 L CA -1.293 53.565 54.840 0.031 0.000 0.843 168 L CB 1.687 43.758 42.059 0.020 0.000 1.436 168 L HN -0.434 nan 8.230 nan 0.000 0.410 169 V N 0.973 120.844 119.914 -0.073 0.000 2.439 169 V HA 0.476 4.596 4.120 -0.000 0.000 0.271 169 V C 0.468 176.436 176.094 -0.210 0.000 1.040 169 V CA 0.509 62.712 62.300 -0.160 0.000 1.002 169 V CB 0.558 32.304 31.823 -0.128 0.000 1.000 169 V HN 0.913 nan 8.190 nan 0.000 0.477 170 T N 4.337 118.681 114.554 -0.349 0.000 2.841 170 T HA 0.418 4.768 4.350 -0.000 0.000 0.285 170 T C 0.749 175.237 174.700 -0.353 0.000 0.991 170 T CA -0.473 61.447 62.100 -0.301 0.000 0.966 170 T CB 1.657 70.375 68.868 -0.250 0.000 0.962 170 T HN 0.185 nan 8.240 nan 0.000 0.438 171 V N 4.357 124.142 119.914 -0.216 0.000 2.223 171 V HA -0.122 3.998 4.120 -0.000 0.000 0.244 171 V C 3.009 178.997 176.094 -0.176 0.000 1.045 171 V CA 2.701 64.891 62.300 -0.183 0.000 1.000 171 V CB -1.047 30.712 31.823 -0.108 0.000 0.635 171 V HN 1.058 nan 8.190 nan 0.000 0.445 172 T N -1.576 112.931 114.554 -0.079 0.000 2.962 172 T HA -0.024 4.326 4.350 -0.000 0.000 0.270 172 T C 1.873 176.467 174.700 -0.177 0.000 1.088 172 T CA 1.246 63.338 62.100 -0.015 0.000 1.127 172 T CB -0.542 68.421 68.868 0.158 0.000 0.883 172 T HN 0.496 nan 8.240 nan 0.000 0.493 173 G N 1.310 109.832 108.800 -0.464 0.000 2.402 173 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 173 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 173 G C 1.671 176.239 174.900 -0.554 0.000 1.162 173 G CA 1.203 45.779 45.100 -0.873 0.000 0.777 173 G HN 0.501 nan 8.290 nan 0.000 0.539 174 T N 0.988 115.159 114.554 -0.638 0.000 2.746 174 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 174 T C 2.235 176.778 174.700 -0.260 0.000 1.039 174 T CA 1.605 63.412 62.100 -0.489 0.000 1.142 174 T CB -0.171 68.423 68.868 -0.456 0.000 0.866 174 T HN 0.491 nan 8.240 nan 0.000 0.444 175 E N 0.981 121.055 120.200 -0.210 0.000 2.077 175 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 175 E C 2.321 178.875 176.600 -0.076 0.000 0.989 175 E CA 0.703 57.033 56.400 -0.116 0.000 0.800 175 E CB -0.137 29.522 29.700 -0.068 0.000 0.746 175 E HN 0.238 nan 8.360 nan 0.000 0.452 176 N N 0.721 119.376 118.700 -0.076 0.000 2.120 176 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 176 N C 1.676 177.161 175.510 -0.041 0.000 1.024 176 N CA 1.362 54.439 53.050 0.045 0.000 0.852 176 N CB -0.174 38.420 38.487 0.178 0.000 1.003 176 N HN 0.160 nan 8.380 nan 0.000 0.424 177 A N 0.887 123.474 122.820 -0.388 0.000 1.873 177 A HA -0.050 4.270 4.320 -0.000 0.000 0.215 177 A C 2.467 179.885 177.584 -0.277 0.000 1.186 177 A CA 0.897 52.430 52.037 -0.839 0.000 0.616 177 A CB -0.752 17.476 19.000 -1.288 0.000 0.823 177 A HN 0.293 nan 8.150 nan 0.000 0.442 178 L N -0.677 120.446 121.223 -0.166 0.000 2.046 178 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 178 L C 2.573 179.439 176.870 -0.007 0.000 1.077 178 L CA 1.047 55.845 54.840 -0.070 0.000 0.747 178 L CB -0.562 41.451 42.059 -0.077 0.000 0.896 178 L HN 0.367 nan 8.230 nan 0.000 0.432 179 L N -1.529 119.714 121.223 0.032 0.000 2.042 179 L HA -0.282 4.058 4.340 -0.000 0.000 0.210 179 L C 2.625 179.582 176.870 0.145 0.000 1.076 179 L CA 1.476 56.367 54.840 0.084 0.000 0.749 179 L CB -0.630 41.502 42.059 0.122 0.000 0.893 179 L HN 0.236 nan 8.230 nan 0.000 0.432 180 Y N 0.456 120.838 120.300 0.138 0.000 2.184 180 Y HA -0.172 4.378 4.550 -0.000 0.000 0.290 180 Y C 2.287 178.279 175.900 0.153 0.000 1.129 180 Y CA 1.334 59.562 58.100 0.215 0.000 1.144 180 Y CB -0.282 38.453 38.460 0.459 0.000 0.995 180 Y HN -0.035 nan 8.280 nan 0.000 0.513 181 L N 0.153 121.351 121.223 -0.042 0.000 2.187 181 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 181 L C 2.643 179.419 176.870 -0.156 0.000 1.100 181 L CA 1.033 55.790 54.840 -0.138 0.000 0.765 181 L CB -0.975 41.113 42.059 0.050 0.000 0.904 181 L HN 0.370 nan 8.230 nan 0.000 0.437 182 A N -0.119 122.639 122.820 -0.103 0.000 2.125 182 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 182 A C 2.383 179.898 177.584 -0.115 0.000 1.156 182 A CA 1.689 53.675 52.037 -0.084 0.000 0.671 182 A CB -0.385 18.584 19.000 -0.052 0.000 0.794 182 A HN 0.521 nan 8.150 nan 0.000 0.459 183 S N -1.439 114.152 115.700 -0.181 0.000 2.556 183 S HA 0.260 4.730 4.470 -0.000 0.000 0.216 183 S C 0.175 174.648 174.600 -0.213 0.000 0.970 183 S CA 0.005 58.100 58.200 -0.175 0.000 0.912 183 S CB -0.127 62.979 63.200 -0.158 0.000 0.790 183 S HN 0.066 nan 8.310 nan 0.000 0.504 184 V N 5.026 124.780 119.914 -0.267 0.000 2.348 184 V HA 0.360 4.480 4.120 -0.000 0.000 0.270 184 V C -1.921 174.101 176.094 -0.119 0.000 1.037 184 V CA -1.873 60.302 62.300 -0.208 0.000 0.872 184 V CB 1.120 32.794 31.823 -0.248 0.000 1.002 184 V HN 0.267 nan 8.190 nan 0.000 0.464 185 P HA 0.140 nan 4.420 nan 0.000 0.277 185 P C -0.055 177.214 177.300 -0.052 0.000 1.617 185 P CA 0.411 63.469 63.100 -0.072 0.000 0.829 185 P CB 0.231 31.897 31.700 -0.057 0.000 1.774 186 E N -0.205 119.967 120.200 -0.047 0.000 2.449 186 E HA 0.288 4.638 4.350 -0.000 0.000 0.278 186 E C -0.771 175.824 176.600 -0.009 0.000 0.992 186 E CA -0.920 55.467 56.400 -0.021 0.000 0.807 186 E CB 1.507 31.203 29.700 -0.006 0.000 1.350 186 E HN 0.098 nan 8.360 nan 0.000 0.462 187 E N 0.975 121.181 120.200 0.011 0.000 2.152 187 E HA 0.332 4.682 4.350 -0.000 0.000 0.285 187 E C -0.939 175.689 176.600 0.047 0.000 1.043 187 E CA -0.126 56.295 56.400 0.035 0.000 0.839 187 E CB 1.381 31.105 29.700 0.040 0.000 1.069 187 E HN 0.185 nan 8.360 nan 0.000 0.399 188 S N 2.280 118.015 115.700 0.059 0.000 2.689 188 S HA 0.646 5.116 4.470 -0.000 0.000 0.306 188 S C -0.517 174.104 174.600 0.036 0.000 1.104 188 S CA -0.687 57.551 58.200 0.063 0.000 0.973 188 S CB 0.954 64.211 63.200 0.095 0.000 1.121 188 S HN 0.287 nan 8.310 nan 0.000 0.523 189 I N 1.249 121.814 120.570 -0.008 0.000 2.569 189 I HA 0.457 4.626 4.170 -0.000 0.000 0.290 189 I C -1.162 174.949 176.117 -0.009 0.000 1.088 189 I CA -0.196 61.014 61.300 -0.150 0.000 1.047 189 I CB 1.520 39.287 38.000 -0.389 0.000 1.237 189 I HN 0.389 nan 8.210 nan 0.000 0.421 190 L N 5.218 126.396 121.223 -0.075 0.000 2.341 190 L HA 0.627 4.967 4.340 -0.000 0.000 0.278 190 L C -0.383 176.479 176.870 -0.013 0.000 1.005 190 L CA -0.596 54.273 54.840 0.049 0.000 0.818 190 L CB 1.900 44.018 42.059 0.099 0.000 1.259 190 L HN 0.588 nan 8.230 nan 0.000 0.418 191 E N 1.746 121.965 120.200 0.033 0.000 2.244 191 E HA 0.253 4.602 4.350 -0.000 0.000 0.266 191 E C -0.511 176.137 176.600 0.078 0.000 0.914 191 E CA -0.804 55.600 56.400 0.006 0.000 0.794 191 E CB 1.621 31.310 29.700 -0.018 0.000 1.210 191 E HN 0.543 nan 8.360 nan 0.000 0.414 192 N N 1.299 120.024 118.700 0.041 0.000 2.756 192 N HA -0.168 4.571 4.740 -0.000 0.000 0.248 192 N C -0.772 174.764 175.510 0.044 0.000 1.062 192 N CA 0.546 53.621 53.050 0.042 0.000 0.696 192 N CB -1.416 37.096 38.487 0.041 0.000 0.946 192 N HN 0.572 nan 8.380 nan 0.000 0.548 193 I N -2.824 117.746 120.570 -0.000 0.000 2.970 193 I HA 0.691 4.861 4.170 -0.000 0.000 0.310 193 I C 0.854 176.874 176.117 -0.163 0.000 1.010 193 I CA -0.784 60.438 61.300 -0.130 0.000 1.228 193 I CB 1.181 39.132 38.000 -0.081 0.000 1.433 193 I HN 0.179 nan 8.210 nan 0.000 0.573 194 A N 3.932 126.613 122.820 -0.232 0.000 2.340 194 A HA 0.551 4.871 4.320 -0.000 0.000 0.268 194 A C 0.346 177.866 177.584 -0.107 0.000 1.100 194 A CA -0.591 51.345 52.037 -0.168 0.000 0.803 194 A CB 0.471 19.345 19.000 -0.209 0.000 1.043 194 A HN 0.863 nan 8.150 nan 0.000 0.488 195 L N 0.735 121.934 121.223 -0.041 0.000 2.808 195 L HA 0.168 4.508 4.340 -0.000 0.000 0.246 195 L C 0.056 176.907 176.870 -0.032 0.000 1.153 195 L CA -0.177 54.665 54.840 0.004 0.000 0.956 195 L CB -0.142 41.967 42.059 0.084 0.000 1.270 195 L HN 0.663 nan 8.230 nan 0.000 0.528 196 E N 1.133 121.257 120.200 -0.128 0.000 2.534 196 E HA -0.086 4.263 4.350 -0.000 0.000 0.264 196 E C -1.489 174.799 176.600 -0.520 0.000 0.981 196 E CA -0.730 55.432 56.400 -0.396 0.000 0.948 196 E CB 0.340 29.885 29.700 -0.259 0.000 0.934 196 E HN -0.070 nan 8.360 nan 0.000 0.459 197 P HA -0.188 nan 4.420 nan 0.000 0.217 197 P C 0.350 177.407 177.300 -0.405 0.000 1.148 197 P CA 1.293 63.962 63.100 -0.718 0.000 0.828 197 P CB 0.286 31.295 31.700 -1.153 0.000 0.783 198 E N -1.020 118.983 120.200 -0.329 0.000 2.106 198 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 198 E C 1.962 178.469 176.600 -0.156 0.000 0.984 198 E CA 0.808 57.093 56.400 -0.191 0.000 0.806 198 E CB -1.156 28.454 29.700 -0.151 0.000 0.750 198 E HN 0.062 nan 8.360 nan 0.000 0.458 199 V N 0.649 120.457 119.914 -0.176 0.000 2.358 199 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 199 V C 2.064 178.080 176.094 -0.130 0.000 1.047 199 V CA 1.383 63.597 62.300 -0.144 0.000 1.035 199 V CB -0.382 31.351 31.823 -0.150 0.000 0.658 199 V HN 0.325 nan 8.190 nan 0.000 0.452 200 M N -0.278 119.238 119.600 -0.141 0.000 2.229 200 M HA -0.137 4.342 4.480 -0.000 0.000 0.264 200 M C 1.985 178.235 176.300 -0.085 0.000 1.063 200 M CA 1.565 56.805 55.300 -0.101 0.000 1.114 200 M CB -1.293 31.250 32.600 -0.094 0.000 1.387 200 M HN 0.365 nan 8.290 nan 0.000 0.420 201 D N 0.542 120.889 120.400 -0.089 0.000 2.117 201 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 201 D C 1.978 178.186 176.300 -0.154 0.000 0.982 201 D CA 0.726 54.698 54.000 -0.047 0.000 0.828 201 D CB -0.010 40.794 40.800 0.007 0.000 0.967 201 D HN 0.223 nan 8.370 nan 0.000 0.464 202 L N 0.353 121.486 121.223 -0.149 0.000 2.046 202 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 202 L C 1.993 178.742 176.870 -0.202 0.000 1.077 202 L CA 1.412 56.141 54.840 -0.184 0.000 0.747 202 L CB -0.541 41.447 42.059 -0.120 0.000 0.896 202 L HN 0.051 nan 8.230 nan 0.000 0.432 203 I N 0.149 120.632 120.570 -0.145 0.000 2.208 203 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 203 I C 2.569 178.604 176.117 -0.136 0.000 1.097 203 I CA 1.822 63.052 61.300 -0.118 0.000 1.363 203 I CB -1.239 36.715 38.000 -0.076 0.000 1.051 203 I HN 0.559 nan 8.210 nan 0.000 0.413 204 E N 0.957 121.071 120.200 -0.144 0.000 2.085 204 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 204 E C 2.336 178.783 176.600 -0.254 0.000 0.994 204 E CA 1.523 57.843 56.400 -0.133 0.000 0.801 204 E CB 0.097 29.768 29.700 -0.047 0.000 0.743 204 E HN 0.217 nan 8.360 nan 0.000 0.453 205 V N 1.269 120.900 119.914 -0.471 0.000 2.332 205 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 205 V C 2.451 178.251 176.094 -0.491 0.000 1.055 205 V CA 1.684 63.564 62.300 -0.700 0.000 1.038 205 V CB -0.431 30.803 31.823 -0.981 0.000 0.651 205 V HN 0.371 nan 8.190 nan 0.000 0.450 206 L N -0.647 120.387 121.223 -0.316 0.000 2.083 206 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 206 L C 2.555 179.359 176.870 -0.110 0.000 1.083 206 L CA 1.620 56.349 54.840 -0.186 0.000 0.752 206 L CB -0.619 41.367 42.059 -0.122 0.000 0.899 206 L HN 0.312 nan 8.230 nan 0.000 0.433 207 K N 0.190 120.534 120.400 -0.094 0.000 2.103 207 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 207 K C 2.103 178.694 176.600 -0.015 0.000 1.052 207 K CA 0.982 57.256 56.287 -0.022 0.000 0.945 207 K CB -0.038 32.452 32.500 -0.017 0.000 0.722 207 K HN 0.244 nan 8.250 nan 0.000 0.443 208 K N 0.588 120.951 120.400 -0.061 0.000 2.147 208 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 208 K C 1.966 178.585 176.600 0.032 0.000 1.049 208 K CA 1.288 57.571 56.287 -0.007 0.000 0.936 208 K CB -0.043 32.447 32.500 -0.017 0.000 0.722 208 K HN 0.152 nan 8.250 nan 0.000 0.446 209 M N -1.111 118.483 119.600 -0.010 0.000 2.476 209 M HA -0.011 4.468 4.480 -0.000 0.000 0.262 209 M C 1.179 177.500 176.300 0.036 0.000 1.079 209 M CA 1.196 56.524 55.300 0.046 0.000 1.104 209 M CB 0.544 33.157 32.600 0.022 0.000 1.409 209 M HN 0.481 nan 8.290 nan 0.000 0.467 210 G N -0.326 108.492 108.800 0.030 0.000 2.367 210 G HA2 -0.056 3.903 3.960 -0.000 0.000 0.181 210 G HA3 -0.056 3.903 3.960 -0.000 0.000 0.181 210 G C 0.137 175.050 174.900 0.023 0.000 1.000 210 G CA -0.219 44.902 45.100 0.035 0.000 0.693 210 G HN 0.605 nan 8.290 nan 0.000 0.480 211 A N 0.341 123.169 122.820 0.014 0.000 2.332 211 A HA 0.720 5.040 4.320 -0.000 0.000 0.258 211 A C -0.124 177.556 177.584 0.159 0.000 1.087 211 A CA -0.112 51.925 52.037 -0.000 0.000 0.802 211 A CB 0.255 19.242 19.000 -0.022 0.000 1.042 211 A HN 0.532 nan 8.150 nan 0.000 0.489 212 H N -0.540 118.521 119.070 -0.015 0.000 2.459 212 H HA 0.556 5.112 4.556 -0.000 0.000 0.332 212 H C -1.218 174.112 175.328 0.004 0.000 1.094 212 H CA -0.823 55.222 56.048 -0.005 0.000 1.224 212 H CB 1.677 31.440 29.762 0.001 0.000 1.449 212 H HN 0.351 nan 8.280 nan 0.000 0.484 213 V N 3.917 123.900 119.914 0.114 0.000 2.612 213 V HA 0.198 4.318 4.120 -0.000 0.000 0.301 213 V C -0.455 175.679 176.094 0.067 0.000 1.059 213 V CA -0.871 61.474 62.300 0.076 0.000 0.886 213 V CB 1.974 33.813 31.823 0.028 0.000 1.007 213 V HN 0.663 nan 8.190 nan 0.000 0.426 214 K N 3.738 124.206 120.400 0.113 0.000 2.323 214 K HA 0.789 5.109 4.320 -0.000 0.000 0.259 214 K C -1.606 175.086 176.600 0.152 0.000 0.947 214 K CA -0.497 55.862 56.287 0.121 0.000 0.819 214 K CB 2.128 34.710 32.500 0.136 0.000 1.109 214 K HN 0.477 nan 8.250 nan 0.000 0.429 215 V N 4.658 124.629 119.914 0.095 0.000 2.384 215 V HA 0.298 4.417 4.120 -0.000 0.000 0.287 215 V C -0.867 175.280 176.094 0.088 0.000 1.020 215 V CA -0.617 61.727 62.300 0.073 0.000 0.850 215 V CB 1.227 33.068 31.823 0.030 0.000 0.987 215 V HN 0.903 nan 8.190 nan 0.000 0.436 216 E N 4.020 124.286 120.200 0.110 0.000 2.265 216 E HA 0.694 5.044 4.350 -0.000 0.000 0.262 216 E C 0.403 177.046 176.600 0.072 0.000 0.889 216 E CA -0.197 56.265 56.400 0.103 0.000 0.789 216 E CB 1.759 31.556 29.700 0.160 0.000 1.221 216 E HN 0.913 nan 8.360 nan 0.000 0.414 217 G N 3.951 112.779 108.800 0.045 0.000 2.583 217 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.292 217 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.292 217 G C 0.350 175.259 174.900 0.015 0.000 1.203 217 G CA 0.252 45.368 45.100 0.028 0.000 0.987 217 G HN 0.599 nan 8.290 nan 0.000 0.554 218 R N 0.605 121.107 120.500 0.004 0.000 2.609 218 R HA 0.458 4.797 4.340 -0.000 0.000 0.326 218 R C -0.103 176.181 176.300 -0.027 0.000 1.090 218 R CA 0.218 56.311 56.100 -0.012 0.000 1.072 218 R CB 0.472 30.763 30.300 -0.015 0.000 1.330 218 R HN 0.284 nan 8.270 nan 0.000 0.572 219 S N 0.462 116.136 115.700 -0.043 0.000 2.509 219 S HA 0.688 5.158 4.470 -0.000 0.000 0.297 219 S C -0.620 173.866 174.600 -0.190 0.000 1.118 219 S CA -0.660 57.452 58.200 -0.146 0.000 1.074 219 S CB 2.056 65.141 63.200 -0.191 0.000 1.038 219 S HN 0.328 nan 8.310 nan 0.000 0.498 220 A N 2.492 125.141 122.820 -0.286 0.000 2.335 220 A HA 0.701 5.020 4.320 -0.000 0.000 0.304 220 A C -1.679 175.708 177.584 -0.329 0.000 1.118 220 A CA -0.559 51.362 52.037 -0.193 0.000 0.757 220 A CB 0.444 19.396 19.000 -0.081 0.000 1.188 220 A HN 0.744 nan 8.150 nan 0.000 0.460 221 Y N 1.637 121.942 120.300 0.008 0.000 2.335 221 Y HA 0.511 5.061 4.550 -0.000 0.000 0.339 221 Y C 0.157 176.066 175.900 0.015 0.000 0.987 221 Y CA -0.407 57.694 58.100 0.003 0.000 1.140 221 Y CB 1.821 40.278 38.460 -0.005 0.000 1.173 221 Y HN 0.416 nan 8.280 nan 0.000 0.486 222 V N 3.487 123.475 119.914 0.122 0.000 2.680 222 V HA 0.529 4.649 4.120 -0.000 0.000 0.309 222 V C -0.761 175.372 176.094 0.064 0.000 1.052 222 V CA -1.186 61.162 62.300 0.080 0.000 0.908 222 V CB 2.022 33.866 31.823 0.034 0.000 1.001 222 V HN 0.525 nan 8.190 nan 0.000 0.431 223 K N 2.695 123.120 120.400 0.042 0.000 2.616 223 K HA 0.669 4.989 4.320 -0.000 0.000 0.241 223 K C 0.020 176.563 176.600 -0.096 0.000 0.961 223 K CA -0.009 56.262 56.287 -0.026 0.000 0.942 223 K CB 1.116 33.597 32.500 -0.031 0.000 1.153 223 K HN 0.855 nan 8.250 nan 0.000 0.452 224 G N 0.720 109.464 108.800 -0.094 0.000 2.525 224 G HA2 0.469 4.429 3.960 -0.000 0.000 0.287 224 G HA3 0.469 4.429 3.960 -0.000 0.000 0.287 224 G C -0.979 173.845 174.900 -0.128 0.000 1.350 224 G CA -0.504 44.528 45.100 -0.113 0.000 1.039 224 G HN 0.548 nan 8.290 nan 0.000 0.513 225 S N -2.163 113.471 115.700 -0.109 0.000 2.537 225 S HA 0.324 4.794 4.470 -0.000 0.000 0.270 225 S C 0.080 174.636 174.600 -0.074 0.000 1.142 225 S CA -0.558 57.587 58.200 -0.093 0.000 0.870 225 S CB 1.854 65.001 63.200 -0.089 0.000 1.112 225 S HN 0.574 nan 8.310 nan 0.000 0.466 226 E N 1.536 121.699 120.200 -0.061 0.000 2.479 226 E HA 0.169 4.519 4.350 -0.000 0.000 0.193 226 E C -0.301 176.276 176.600 -0.038 0.000 1.049 226 E CA 0.034 56.403 56.400 -0.051 0.000 0.870 226 E CB 0.159 29.834 29.700 -0.041 0.000 0.944 226 E HN 0.397 nan 8.360 nan 0.000 0.492 227 N N 1.291 119.971 118.700 -0.033 0.000 2.757 227 N HA 0.182 4.922 4.740 -0.000 0.000 0.296 227 N C -0.736 174.768 175.510 -0.010 0.000 1.874 227 N CA -0.057 52.982 53.050 -0.019 0.000 0.885 227 N CB 0.949 39.428 38.487 -0.013 0.000 1.242 227 N HN 0.034 nan 8.380 nan 0.000 0.488 228 L N 0.895 122.113 121.223 -0.009 0.000 2.426 228 L HA 0.183 4.523 4.340 -0.000 0.000 0.271 228 L C 0.890 177.781 176.870 0.036 0.000 1.169 228 L CA 0.127 54.973 54.840 0.011 0.000 0.836 228 L CB 0.593 42.658 42.059 0.011 0.000 1.112 228 L HN -0.008 nan 8.230 nan 0.000 0.465 229 K N 1.086 121.521 120.400 0.057 0.000 2.109 229 K HA 0.492 4.811 4.320 -0.000 0.000 0.243 229 K C 0.326 177.001 176.600 0.124 0.000 1.006 229 K CA -0.598 55.733 56.287 0.074 0.000 0.917 229 K CB 0.738 33.281 32.500 0.072 0.000 1.081 229 K HN 0.674 nan 8.250 nan 0.000 0.468 230 G N 0.295 109.151 108.800 0.094 0.000 2.562 230 G HA2 0.490 4.450 3.960 -0.000 0.000 0.275 230 G HA3 0.490 4.450 3.960 -0.000 0.000 0.275 230 G C -0.842 174.150 174.900 0.153 0.000 1.196 230 G CA -0.395 44.746 45.100 0.069 0.000 0.908 230 G HN 0.521 nan 8.290 nan 0.000 0.524 231 F N -2.202 117.763 119.950 0.026 0.000 2.685 231 F HA 0.789 5.315 4.527 -0.000 0.000 0.315 231 F C -0.604 175.225 175.800 0.049 0.000 1.126 231 F CA -1.287 56.733 58.000 0.034 0.000 0.950 231 F CB 1.493 40.505 39.000 0.020 0.000 1.360 231 F HN 0.447 nan 8.300 nan 0.000 0.469 232 T N 0.919 115.640 114.554 0.278 0.000 2.841 232 T HA 0.530 4.880 4.350 -0.000 0.000 0.285 232 T C -1.931 173.002 174.700 0.388 0.000 0.991 232 T CA -0.441 61.772 62.100 0.189 0.000 0.966 232 T CB 0.847 69.780 68.868 0.108 0.000 0.962 232 T HN 0.909 nan 8.240 nan 0.000 0.438 233 H N 0.607 119.813 119.070 0.228 0.000 3.046 233 H HA 0.588 5.144 4.556 -0.000 0.000 0.363 233 H C -1.233 174.153 175.328 0.098 0.000 1.203 233 H CA -0.402 55.757 56.048 0.185 0.000 1.169 233 H CB 1.788 31.699 29.762 0.249 0.000 1.851 233 H HN 0.541 nan 8.280 nan 0.000 0.546 234 S N 3.943 119.358 115.700 -0.475 0.000 2.498 234 S HA 0.444 4.913 4.470 -0.000 0.000 0.324 234 S C -0.394 173.984 174.600 -0.372 0.000 1.071 234 S CA -0.404 57.627 58.200 -0.282 0.000 1.113 234 S CB -0.305 62.778 63.200 -0.195 0.000 0.976 234 S HN 0.681 nan 8.310 nan 0.000 0.462 235 V N 5.242 125.117 119.914 -0.066 0.000 2.963 235 V HA 0.409 4.529 4.120 -0.000 0.000 0.306 235 V C 0.732 176.835 176.094 0.015 0.000 1.077 235 V CA -0.624 61.707 62.300 0.051 0.000 1.124 235 V CB -0.331 31.547 31.823 0.091 0.000 0.987 235 V HN 0.836 nan 8.190 nan 0.000 0.487 236 I N 0.744 121.350 120.570 0.060 0.000 3.112 236 I HA 0.433 4.603 4.170 -0.000 0.000 0.284 236 I C -2.197 173.959 176.117 0.065 0.000 1.227 236 I CA -1.647 59.699 61.300 0.075 0.000 1.369 236 I CB -0.426 37.655 38.000 0.135 0.000 1.376 236 I HN 0.410 nan 8.210 nan 0.000 0.608 237 P HA 0.023 nan 4.420 nan 0.000 0.272 237 P C -1.041 176.308 177.300 0.081 0.000 1.240 237 P CA -0.110 63.032 63.100 0.068 0.000 0.791 237 P CB 0.394 32.130 31.700 0.060 0.000 0.978 238 D N 1.720 122.164 120.400 0.074 0.000 2.365 238 D HA 0.012 4.652 4.640 -0.000 0.000 0.237 238 D C 1.269 177.625 176.300 0.093 0.000 1.190 238 D CA -0.118 53.922 54.000 0.066 0.000 0.867 238 D CB 0.565 41.404 40.800 0.066 0.000 1.050 238 D HN 0.335 nan 8.370 nan 0.000 0.491 239 R N 3.703 124.250 120.500 0.079 0.000 2.189 239 R HA -0.097 4.243 4.340 -0.000 0.000 0.223 239 R C 1.294 177.650 176.300 0.094 0.000 1.092 239 R CA 0.476 56.635 56.100 0.098 0.000 0.989 239 R CB -0.048 30.307 30.300 0.091 0.000 0.876 239 R HN 0.343 nan 8.270 nan 0.000 0.457 240 I N 1.892 122.506 120.570 0.073 0.000 2.286 240 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 240 I C 2.542 178.777 176.117 0.196 0.000 1.104 240 I CA 1.226 62.582 61.300 0.093 0.000 1.397 240 I CB -1.154 36.869 38.000 0.038 0.000 1.072 240 I HN 0.360 nan 8.210 nan 0.000 0.417 241 E N 1.417 121.761 120.200 0.241 0.000 2.072 241 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 241 E C 2.314 179.122 176.600 0.348 0.000 0.985 241 E CA 1.377 58.002 56.400 0.374 0.000 0.801 241 E CB 0.121 30.062 29.700 0.401 0.000 0.750 241 E HN 0.378 nan 8.360 nan 0.000 0.452 242 A N 0.934 123.912 122.820 0.264 0.000 1.883 242 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 242 A C 2.463 180.174 177.584 0.212 0.000 1.186 242 A CA 1.917 54.096 52.037 0.237 0.000 0.624 242 A CB -1.363 17.729 19.000 0.154 0.000 0.822 242 A HN 0.467 nan 8.150 nan 0.000 0.444 243 G N -1.436 107.465 108.800 0.169 0.000 2.422 243 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.218 243 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.218 243 G C 1.539 176.510 174.900 0.119 0.000 1.146 243 G CA 1.627 46.823 45.100 0.159 0.000 0.769 243 G HN 0.442 nan 8.290 nan 0.000 0.547 244 T N 0.917 115.517 114.554 0.077 0.000 2.746 244 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 244 T C 2.008 176.594 174.700 -0.189 0.000 1.039 244 T CA 0.967 63.013 62.100 -0.089 0.000 1.142 244 T CB -0.301 68.447 68.868 -0.201 0.000 0.866 244 T HN 0.226 nan 8.240 nan 0.000 0.444 245 F N 1.001 120.952 119.950 0.002 0.000 2.259 245 F HA 0.132 4.659 4.527 -0.000 0.000 0.298 245 F C 2.366 178.157 175.800 -0.016 0.000 1.088 245 F CA 0.710 58.702 58.000 -0.014 0.000 1.358 245 F CB -0.608 38.393 39.000 0.002 0.000 1.040 245 F HN 0.103 nan 8.300 nan 0.000 0.505 246 M N -0.857 118.835 119.600 0.153 0.000 2.117 246 M HA -0.201 4.279 4.480 -0.000 0.000 0.262 246 M C 2.189 178.479 176.300 -0.017 0.000 1.065 246 M CA 1.315 56.661 55.300 0.077 0.000 1.114 246 M CB -0.725 31.924 32.600 0.082 0.000 1.361 246 M HN -0.039 nan 8.290 nan 0.000 0.408 247 V N 0.388 120.247 119.914 -0.092 0.000 2.343 247 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 247 V C 2.606 178.617 176.094 -0.138 0.000 1.051 247 V CA 2.186 64.352 62.300 -0.223 0.000 1.036 247 V CB -1.584 30.044 31.823 -0.324 0.000 0.654 247 V HN 0.641 nan 8.190 nan 0.000 0.451 248 G N -0.359 108.384 108.800 -0.094 0.000 2.440 248 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 248 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 248 G C 1.775 176.670 174.900 -0.007 0.000 1.154 248 G CA 1.155 46.219 45.100 -0.060 0.000 0.767 248 G HN 0.614 nan 8.290 nan 0.000 0.552 249 A N 0.046 122.884 122.820 0.030 0.000 1.877 249 A HA 0.065 4.385 4.320 -0.000 0.000 0.216 249 A C 2.627 180.226 177.584 0.025 0.000 1.186 249 A CA 1.978 54.044 52.037 0.049 0.000 0.620 249 A CB -0.672 18.375 19.000 0.078 0.000 0.822 249 A HN 0.281 nan 8.150 nan 0.000 0.443 250 V N -0.258 119.646 119.914 -0.015 0.000 2.358 250 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 250 V C 2.488 178.562 176.094 -0.034 0.000 1.047 250 V CA 1.842 64.123 62.300 -0.032 0.000 1.035 250 V CB -0.845 30.930 31.823 -0.080 0.000 0.658 250 V HN 0.582 nan 8.190 nan 0.000 0.452 251 L N 1.279 122.468 121.223 -0.057 0.000 2.046 251 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 251 L C 2.464 179.317 176.870 -0.027 0.000 1.077 251 L CA 2.791 57.599 54.840 -0.052 0.000 0.747 251 L CB -0.938 41.078 42.059 -0.072 0.000 0.896 251 L HN 0.578 nan 8.230 nan 0.000 0.432 252 T N -4.323 110.221 114.554 -0.016 0.000 3.129 252 T HA 0.088 4.438 4.350 -0.000 0.000 0.251 252 T C 0.822 175.528 174.700 0.010 0.000 1.117 252 T CA 0.396 62.493 62.100 -0.005 0.000 1.034 252 T CB -0.557 68.311 68.868 -0.000 0.000 0.968 252 T HN 0.430 nan 8.240 nan 0.000 0.526 253 D N 0.464 120.876 120.400 0.020 0.000 2.689 253 D HA -0.093 4.547 4.640 -0.000 0.000 0.237 253 D C 0.516 176.847 176.300 0.052 0.000 1.148 253 D CA 0.935 54.960 54.000 0.041 0.000 0.656 253 D CB -1.217 39.601 40.800 0.030 0.000 1.050 253 D HN 0.718 nan 8.370 nan 0.000 0.426 254 G N -0.256 108.581 108.800 0.061 0.000 2.890 254 G HA2 0.642 4.601 3.960 -0.000 0.000 0.189 254 G HA3 0.642 4.601 3.960 -0.000 0.000 0.189 254 G C -0.835 174.125 174.900 0.101 0.000 1.342 254 G CA -0.239 44.898 45.100 0.061 0.000 1.026 254 G HN 0.244 nan 8.290 nan 0.000 0.579 255 E N -0.568 119.681 120.200 0.083 0.000 2.334 255 E HA 0.376 4.725 4.350 -0.000 0.000 0.280 255 E C -1.098 175.548 176.600 0.076 0.000 0.899 255 E CA -0.491 55.974 56.400 0.109 0.000 0.813 255 E CB 1.374 31.094 29.700 0.034 0.000 1.318 255 E HN 0.602 nan 8.360 nan 0.000 0.399 256 I N 1.003 121.631 120.570 0.096 0.000 2.846 256 I HA 0.650 4.819 4.170 -0.000 0.000 0.307 256 I C -1.577 174.573 176.117 0.054 0.000 1.053 256 I CA -1.310 60.024 61.300 0.056 0.000 1.050 256 I CB 1.856 39.889 38.000 0.054 0.000 1.239 256 I HN 0.415 nan 8.210 nan 0.000 0.439 257 L N 4.922 126.154 121.223 0.014 0.000 2.345 257 L HA 0.532 4.872 4.340 -0.000 0.000 0.274 257 L C -1.240 175.617 176.870 -0.020 0.000 0.999 257 L CA -0.329 54.518 54.840 0.011 0.000 0.849 257 L CB 1.246 43.306 42.059 0.002 0.000 1.220 257 L HN 0.559 nan 8.230 nan 0.000 0.422 258 L N 4.662 125.880 121.223 -0.008 0.000 2.319 258 L HA 0.397 4.737 4.340 -0.000 0.000 0.280 258 L C 0.253 177.108 176.870 -0.026 0.000 1.099 258 L CA 0.403 55.224 54.840 -0.031 0.000 0.828 258 L CB 0.765 42.828 42.059 0.006 0.000 1.150 258 L HN 0.567 nan 8.230 nan 0.000 0.442 259 E N 2.864 123.037 120.200 -0.045 0.000 2.191 259 E HA 0.375 4.725 4.350 -0.000 0.000 0.274 259 E C -0.229 176.355 176.600 -0.026 0.000 0.948 259 E CA -0.591 55.790 56.400 -0.033 0.000 0.802 259 E CB 0.835 30.512 29.700 -0.040 0.000 1.137 259 E HN 0.567 nan 8.360 nan 0.000 0.397 260 N N -0.130 118.560 118.700 -0.017 0.000 2.776 260 N HA -0.215 4.525 4.740 -0.000 0.000 0.250 260 N C -0.799 174.710 175.510 -0.002 0.000 1.112 260 N CA 0.164 53.206 53.050 -0.012 0.000 0.733 260 N CB -0.736 37.744 38.487 -0.012 0.000 1.097 260 N HN 0.470 nan 8.380 nan 0.000 0.558 261 A N 0.503 123.323 122.820 -0.000 0.000 2.282 261 A HA 0.801 5.121 4.320 -0.000 0.000 0.324 261 A C 0.020 177.593 177.584 -0.020 0.000 1.119 261 A CA -0.408 51.637 52.037 0.013 0.000 0.880 261 A CB 1.034 20.053 19.000 0.033 0.000 1.294 261 A HN 0.170 nan 8.150 nan 0.000 0.493 262 R N 1.062 121.540 120.500 -0.037 0.000 2.435 262 R HA 0.285 4.624 4.340 -0.000 0.000 0.308 262 R C 0.483 176.728 176.300 -0.092 0.000 0.975 262 R CA -0.412 55.604 56.100 -0.140 0.000 0.867 262 R CB 0.997 31.061 30.300 -0.394 0.000 1.171 262 R HN 0.839 nan 8.270 nan 0.000 0.470 263 I N 2.111 122.647 120.570 -0.056 0.000 2.361 263 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 263 I C 0.685 176.805 176.117 0.005 0.000 1.133 263 I CA 1.280 62.577 61.300 -0.006 0.000 1.413 263 I CB 0.315 38.315 38.000 -0.000 0.000 1.073 263 I HN 0.396 nan 8.210 nan 0.000 0.424 264 N N 0.233 118.899 118.700 -0.055 0.000 2.571 264 N HA -0.113 4.627 4.740 -0.000 0.000 0.189 264 N C 0.719 176.347 175.510 0.198 0.000 1.154 264 N CA 0.913 53.972 53.050 0.015 0.000 0.907 264 N CB -0.397 38.073 38.487 -0.028 0.000 0.977 264 N HN 0.632 nan 8.380 nan 0.000 0.449 265 H N -1.169 117.971 119.070 0.116 0.000 2.672 265 H HA 0.309 4.865 4.556 -0.000 0.000 0.277 265 H C 0.618 176.061 175.328 0.192 0.000 1.074 265 H CA -0.036 56.117 56.048 0.175 0.000 1.173 265 H CB 0.828 30.618 29.762 0.047 0.000 1.558 265 H HN -0.002 nan 8.280 nan 0.000 0.539 266 L N 0.079 121.436 121.223 0.224 0.000 3.229 266 L HA 0.215 4.555 4.340 -0.000 0.000 0.286 266 L C 2.033 178.953 176.870 0.084 0.000 1.239 266 L CA 0.008 54.932 54.840 0.140 0.000 1.035 266 L CB 0.419 42.546 42.059 0.113 0.000 1.408 266 L HN 0.100 nan 8.230 nan 0.000 0.593 267 R N 1.540 122.079 120.500 0.064 0.000 2.115 267 R HA -0.247 4.093 4.340 -0.000 0.000 0.239 267 R C 2.216 178.523 176.300 0.012 0.000 1.133 267 R CA 2.220 58.333 56.100 0.021 0.000 0.935 267 R CB -0.116 30.175 30.300 -0.016 0.000 0.853 267 R HN 0.394 nan 8.270 nan 0.000 0.433 268 A N -0.001 122.806 122.820 -0.022 0.000 1.933 268 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 268 A C 2.296 179.921 177.584 0.069 0.000 1.175 268 A CA 1.614 53.657 52.037 0.010 0.000 0.628 268 A CB -0.425 18.563 19.000 -0.020 0.000 0.814 268 A HN 0.267 nan 8.150 nan 0.000 0.444 269 V N -0.537 119.388 119.914 0.018 0.000 2.307 269 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 269 V C 2.561 178.786 176.094 0.219 0.000 1.045 269 V CA 1.927 64.277 62.300 0.082 0.000 1.024 269 V CB -0.745 31.117 31.823 0.065 0.000 0.651 269 V HN 0.363 nan 8.190 nan 0.000 0.449 270 V N 0.041 120.040 119.914 0.142 0.000 2.407 270 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 270 V C 2.451 178.612 176.094 0.112 0.000 1.055 270 V CA 2.331 64.704 62.300 0.123 0.000 1.049 270 V CB -0.578 31.288 31.823 0.072 0.000 0.662 270 V HN 0.690 nan 8.190 nan 0.000 0.455 271 E N 0.116 120.370 120.200 0.090 0.000 2.038 271 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 271 E C 2.275 178.929 176.600 0.090 0.000 1.000 271 E CA 1.354 57.794 56.400 0.067 0.000 0.803 271 E CB 0.002 29.728 29.700 0.043 0.000 0.750 271 E HN 0.395 nan 8.360 nan 0.000 0.448 272 K N 0.424 120.899 120.400 0.125 0.000 2.097 272 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 272 K C 2.242 179.022 176.600 0.299 0.000 1.050 272 K CA 0.504 56.879 56.287 0.146 0.000 0.938 272 K CB -0.563 31.940 32.500 0.006 0.000 0.718 272 K HN 0.198 nan 8.250 nan 0.000 0.442 273 L N 2.030 123.488 121.223 0.393 0.000 2.042 273 L HA -0.171 4.168 4.340 -0.000 0.000 0.210 273 L C 2.005 178.942 176.870 0.111 0.000 1.076 273 L CA 1.822 56.833 54.840 0.285 0.000 0.749 273 L CB -0.214 41.975 42.059 0.218 0.000 0.893 273 L HN 0.064 nan 8.230 nan 0.000 0.432 274 K N -0.965 119.482 120.400 0.078 0.000 2.097 274 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 274 K C 2.052 178.670 176.600 0.030 0.000 1.050 274 K CA 1.213 57.513 56.287 0.021 0.000 0.938 274 K CB -0.234 32.272 32.500 0.011 0.000 0.718 274 K HN 0.326 nan 8.250 nan 0.000 0.442 275 L N 0.966 122.221 121.223 0.053 0.000 2.131 275 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 275 L C 2.073 178.970 176.870 0.045 0.000 1.092 275 L CA 0.592 55.458 54.840 0.042 0.000 0.759 275 L CB -0.287 41.797 42.059 0.042 0.000 0.903 275 L HN 0.182 nan 8.230 nan 0.000 0.435 276 I N -0.637 119.972 120.570 0.066 0.000 2.761 276 I HA -0.012 4.158 4.170 -0.000 0.000 0.261 276 I C 1.718 177.848 176.117 0.022 0.000 1.198 276 I CA 1.381 62.713 61.300 0.053 0.000 1.482 276 I CB -0.841 37.205 38.000 0.076 0.000 1.100 276 I HN 0.431 nan 8.210 nan 0.000 0.445 277 G N -0.161 108.645 108.800 0.010 0.000 2.273 277 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.162 277 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.162 277 G C 0.671 175.546 174.900 -0.042 0.000 1.006 277 G CA -0.210 44.886 45.100 -0.007 0.000 0.704 277 G HN 0.589 nan 8.290 nan 0.000 0.487 278 G N -0.403 108.360 108.800 -0.061 0.000 2.547 278 G HA2 0.610 4.569 3.960 -0.000 0.000 0.291 278 G HA3 0.610 4.569 3.960 -0.000 0.000 0.291 278 G C -0.503 174.260 174.900 -0.229 0.000 1.211 278 G CA 0.383 45.400 45.100 -0.138 0.000 0.950 278 G HN 0.501 nan 8.290 nan 0.000 0.504 279 E N -1.610 118.322 120.200 -0.448 0.000 2.356 279 E HA 0.554 4.903 4.350 -0.000 0.000 0.275 279 E C -1.446 174.875 176.600 -0.465 0.000 0.904 279 E CA -0.606 55.476 56.400 -0.530 0.000 0.757 279 E CB 2.289 31.451 29.700 -0.898 0.000 1.232 279 E HN 0.306 nan 8.360 nan 0.000 0.442 280 V N 3.815 123.595 119.914 -0.223 0.000 2.482 280 V HA 0.480 4.600 4.120 -0.000 0.000 0.295 280 V C -0.896 175.186 176.094 -0.019 0.000 1.026 280 V CA -0.815 61.431 62.300 -0.091 0.000 0.856 280 V CB 1.705 33.511 31.823 -0.028 0.000 1.001 280 V HN 0.586 nan 8.190 nan 0.000 0.424 281 V N 4.018 123.960 119.914 0.047 0.000 2.417 281 V HA 0.416 4.536 4.120 -0.000 0.000 0.291 281 V C 0.094 176.227 176.094 0.064 0.000 1.024 281 V CA -0.633 61.715 62.300 0.080 0.000 0.861 281 V CB 1.839 33.755 31.823 0.154 0.000 0.985 281 V HN 0.932 nan 8.190 nan 0.000 0.436 282 E N 3.696 123.922 120.200 0.044 0.000 2.259 282 E HA 0.330 4.680 4.350 -0.000 0.000 0.281 282 E C -0.628 175.991 176.600 0.030 0.000 1.027 282 E CA -0.302 56.117 56.400 0.032 0.000 0.838 282 E CB 0.819 30.531 29.700 0.020 0.000 1.066 282 E HN 0.711 nan 8.360 nan 0.000 0.401 283 E N 4.516 124.731 120.200 0.025 0.000 2.331 283 E HA 0.179 4.529 4.350 -0.000 0.000 0.243 283 E C -0.416 176.190 176.600 0.010 0.000 0.925 283 E CA -0.487 55.925 56.400 0.019 0.000 0.760 283 E CB 0.887 30.599 29.700 0.021 0.000 1.254 283 E HN 0.632 nan 8.360 nan 0.000 0.419 284 N N 1.527 120.231 118.700 0.006 0.000 1.504 284 N HA -0.275 4.465 4.740 -0.000 0.000 0.155 284 N C 1.109 176.618 175.510 -0.002 0.000 0.736 284 N CA 2.180 55.231 53.050 0.001 0.000 1.095 284 N CB -1.152 37.334 38.487 -0.001 0.000 1.315 284 N HN 0.559 nan 8.380 nan 0.000 0.467 285 G N -0.546 108.251 108.800 -0.006 0.000 2.796 285 G HA2 0.098 4.058 3.960 -0.000 0.000 0.210 285 G HA3 0.098 4.058 3.960 -0.000 0.000 0.210 285 G C 0.101 174.997 174.900 -0.006 0.000 1.146 285 G CA 0.090 45.184 45.100 -0.010 0.000 0.779 285 G HN 0.421 nan 8.290 nan 0.000 0.535 286 N N 0.519 119.218 118.700 -0.001 0.000 2.503 286 N HA 0.344 5.084 4.740 -0.000 0.000 0.267 286 N C -0.671 174.849 175.510 0.016 0.000 1.214 286 N CA 0.130 53.183 53.050 0.004 0.000 0.959 286 N CB 1.606 40.095 38.487 0.003 0.000 1.142 286 N HN -0.005 nan 8.380 nan 0.000 0.455 287 L N 1.250 122.487 121.223 0.023 0.000 2.342 287 L HA 0.417 4.757 4.340 -0.000 0.000 0.276 287 L C 0.453 177.357 176.870 0.055 0.000 0.997 287 L CA -0.608 54.254 54.840 0.038 0.000 0.838 287 L CB 1.653 43.735 42.059 0.038 0.000 1.224 287 L HN 0.285 nan 8.230 nan 0.000 0.416 288 R N 2.975 123.525 120.500 0.082 0.000 2.221 288 R HA 0.653 4.992 4.340 -0.000 0.000 0.327 288 R C -1.316 175.089 176.300 0.175 0.000 1.033 288 R CA -0.387 55.794 56.100 0.134 0.000 0.887 288 R CB 1.163 31.560 30.300 0.161 0.000 1.057 288 R HN 0.426 nan 8.270 nan 0.000 0.455 289 V N 6.432 126.453 119.914 0.178 0.000 2.656 289 V HA 0.642 4.762 4.120 -0.000 0.000 0.307 289 V C -0.668 175.559 176.094 0.221 0.000 1.051 289 V CA -0.643 61.718 62.300 0.102 0.000 0.893 289 V CB 1.306 33.158 31.823 0.049 0.000 0.999 289 V HN 0.802 nan 8.190 nan 0.000 0.426 290 F N 1.025 120.986 119.950 0.018 0.000 2.779 290 F HA 0.688 5.215 4.527 -0.000 0.000 0.316 290 F C -0.786 175.020 175.800 0.010 0.000 1.164 290 F CA -1.385 56.622 58.000 0.011 0.000 0.924 290 F CB 1.696 40.702 39.000 0.009 0.000 1.348 290 F HN 0.400 nan 8.300 nan 0.000 0.467 291 R N 2.013 122.633 120.500 0.200 0.000 2.221 291 R HA 0.332 4.672 4.340 -0.000 0.000 0.327 291 R C 0.251 176.665 176.300 0.190 0.000 1.033 291 R CA -0.422 55.724 56.100 0.078 0.000 0.887 291 R CB 1.462 31.807 30.300 0.074 0.000 1.057 291 R HN 1.007 nan 8.270 nan 0.000 0.455 292 K N 2.409 122.837 120.400 0.048 0.000 2.244 292 K HA 0.083 4.403 4.320 -0.000 0.000 0.200 292 K C -0.258 176.395 176.600 0.088 0.000 1.052 292 K CA 0.627 56.993 56.287 0.132 0.000 0.980 292 K CB 0.523 33.044 32.500 0.034 0.000 0.838 292 K HN 0.503 nan 8.250 nan 0.000 0.481 293 E N 0.679 120.904 120.200 0.042 0.000 2.359 293 E HA 0.127 4.477 4.350 -0.000 0.000 0.266 293 E C -0.955 175.662 176.600 0.027 0.000 0.920 293 E CA -0.573 55.848 56.400 0.035 0.000 0.788 293 E CB 1.799 31.513 29.700 0.024 0.000 1.279 293 E HN 0.242 nan 8.360 nan 0.000 0.438 294 S N 0.502 116.217 115.700 0.025 0.000 2.563 294 S HA 0.146 4.616 4.470 -0.000 0.000 0.284 294 S C 0.704 175.312 174.600 0.015 0.000 1.331 294 S CA -0.541 57.670 58.200 0.019 0.000 1.047 294 S CB 0.011 63.221 63.200 0.017 0.000 0.859 294 S HN 0.376 nan 8.310 nan 0.000 0.514 295 L N 3.444 124.673 121.223 0.011 0.000 2.499 295 L HA 0.270 4.610 4.340 -0.000 0.000 0.273 295 L C 1.045 177.923 176.870 0.014 0.000 1.195 295 L CA 0.075 54.921 54.840 0.009 0.000 0.882 295 L CB -0.254 41.806 42.059 0.002 0.000 1.133 295 L HN 0.813 nan 8.230 nan 0.000 0.483 296 R N 2.896 123.408 120.500 0.019 0.000 2.771 296 R HA 0.791 5.131 4.340 -0.000 0.000 0.274 296 R C -0.843 175.475 176.300 0.030 0.000 0.987 296 R CA -0.885 55.229 56.100 0.023 0.000 0.908 296 R CB 1.484 31.796 30.300 0.021 0.000 1.213 296 R HN 0.519 nan 8.270 nan 0.000 0.468 297 A N 1.071 123.909 122.820 0.030 0.000 2.492 297 A HA 0.366 4.686 4.320 -0.000 0.000 0.236 297 A C -0.133 177.471 177.584 0.033 0.000 1.078 297 A CA 0.035 52.093 52.037 0.036 0.000 0.773 297 A CB 0.126 19.147 19.000 0.036 0.000 1.023 297 A HN 0.893 nan 8.150 nan 0.000 0.504 298 C N 1.313 120.632 119.300 0.031 0.000 3.181 298 C HA 0.535 4.994 4.460 -0.000 0.000 0.362 298 C C -1.663 173.320 174.990 -0.012 0.000 1.125 298 C CA -0.949 58.078 59.018 0.014 0.000 1.265 298 C CB 0.887 28.643 27.740 0.027 0.000 1.632 298 C HN 0.923 nan 8.230 nan 0.000 0.525 299 D N 3.105 123.487 120.400 -0.031 0.000 2.255 299 D HA 0.682 5.321 4.640 -0.000 0.000 0.249 299 D C -0.342 175.878 176.300 -0.133 0.000 1.078 299 D CA 0.375 54.339 54.000 -0.060 0.000 0.896 299 D CB 1.043 41.821 40.800 -0.036 0.000 1.194 299 D HN 0.571 nan 8.370 nan 0.000 0.429 300 I N 1.192 121.649 120.570 -0.188 0.000 2.569 300 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 300 I C -0.259 175.703 176.117 -0.259 0.000 1.088 300 I CA -0.667 60.425 61.300 -0.346 0.000 1.047 300 I CB 2.206 39.839 38.000 -0.611 0.000 1.237 300 I HN 0.036 nan 8.210 nan 0.000 0.421 301 E N 3.834 123.896 120.200 -0.230 0.000 2.224 301 E HA 0.335 4.685 4.350 -0.000 0.000 0.265 301 E C -0.745 175.828 176.600 -0.046 0.000 0.878 301 E CA -0.676 55.661 56.400 -0.104 0.000 0.759 301 E CB 2.539 32.203 29.700 -0.059 0.000 1.164 301 E HN 0.666 nan 8.360 nan 0.000 0.414 302 T N 0.915 115.489 114.554 0.033 0.000 2.913 302 T HA 0.351 4.701 4.350 -0.000 0.000 0.297 302 T C 0.069 174.802 174.700 0.055 0.000 1.029 302 T CA -0.458 61.726 62.100 0.139 0.000 1.104 302 T CB 1.275 70.226 68.868 0.138 0.000 0.964 302 T HN 0.418 nan 8.240 nan 0.000 0.532 303 Q N 0.305 120.136 119.800 0.052 0.000 2.534 303 Q HA 0.538 4.878 4.340 -0.000 0.000 0.290 303 Q C -0.574 175.411 176.000 -0.025 0.000 0.991 303 Q CA -1.339 54.460 55.803 -0.007 0.000 0.783 303 Q CB 2.382 31.114 28.738 -0.010 0.000 1.470 303 Q HN 0.834 nan 8.270 nan 0.000 0.406 304 V N -1.261 118.626 119.914 -0.046 0.000 3.096 304 V HA 0.191 4.310 4.120 -0.000 0.000 0.306 304 V C -0.145 175.949 176.094 -0.001 0.000 1.088 304 V CA -0.474 61.804 62.300 -0.036 0.000 1.129 304 V CB -0.017 31.773 31.823 -0.055 0.000 1.014 304 V HN 0.729 nan 8.190 nan 0.000 0.486 305 Y N 5.347 125.593 120.300 -0.090 0.000 2.702 305 Y HA 0.244 4.794 4.550 -0.000 0.000 0.336 305 Y C -1.056 174.806 175.900 -0.063 0.000 1.235 305 Y CA -1.104 56.949 58.100 -0.080 0.000 1.492 305 Y CB 0.765 39.167 38.460 -0.097 0.000 1.308 305 Y HN 0.624 nan 8.280 nan 0.000 0.589 306 P HA 0.091 nan 4.420 nan 0.000 0.256 306 P C 0.315 177.296 177.300 -0.532 0.000 1.335 306 P CA 0.412 62.835 63.100 -1.129 0.000 0.808 306 P CB -0.182 31.035 31.700 -0.805 0.000 1.305 307 G N 0.285 108.930 108.800 -0.259 0.000 2.553 307 G HA2 0.170 4.130 3.960 -0.000 0.000 0.278 307 G HA3 0.170 4.130 3.960 -0.000 0.000 0.278 307 G C -1.012 173.855 174.900 -0.055 0.000 1.349 307 G CA -0.668 44.367 45.100 -0.109 0.000 1.037 307 G HN 0.137 nan 8.290 nan 0.000 0.508 308 F N 1.388 121.265 119.950 -0.121 0.000 2.541 308 F HA 0.361 4.888 4.527 -0.000 0.000 0.378 308 F C -1.687 174.066 175.800 -0.079 0.000 1.068 308 F CA -1.761 56.164 58.000 -0.125 0.000 1.199 308 F CB 0.860 39.757 39.000 -0.173 0.000 1.091 308 F HN 0.064 nan 8.300 nan 0.000 0.555 309 P HA -0.003 nan 4.420 nan 0.000 0.271 309 P C 0.554 177.783 177.300 -0.118 0.000 1.220 309 P CA 0.115 63.061 63.100 -0.257 0.000 0.768 309 P CB 1.081 32.617 31.700 -0.274 0.000 0.848 310 T N 0.795 115.365 114.554 0.026 0.000 2.833 310 T HA -0.141 4.208 4.350 -0.000 0.000 0.269 310 T C 1.038 175.803 174.700 0.109 0.000 1.054 310 T CA 1.510 63.682 62.100 0.120 0.000 1.135 310 T CB -0.732 68.224 68.868 0.147 0.000 0.869 310 T HN 0.284 nan 8.240 nan 0.000 0.466 311 D N 0.438 120.869 120.400 0.052 0.000 2.378 311 D HA 0.020 4.659 4.640 -0.000 0.000 0.222 311 D C 1.380 177.699 176.300 0.032 0.000 0.980 311 D CA 0.592 54.616 54.000 0.039 0.000 0.907 311 D CB 0.075 40.884 40.800 0.015 0.000 0.899 311 D HN 0.415 nan 8.370 nan 0.000 0.527 312 M N -0.347 119.247 119.600 -0.009 0.000 2.308 312 M HA 0.045 4.524 4.480 -0.000 0.000 0.269 312 M C 1.699 178.206 176.300 0.346 0.000 1.040 312 M CA 0.093 55.430 55.300 0.062 0.000 1.024 312 M CB 0.256 32.695 32.600 -0.269 0.000 1.465 312 M HN -0.025 nan 8.290 nan 0.000 0.517 313 Q N 1.212 121.228 119.800 0.361 0.000 2.030 313 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 313 Q C 1.760 177.923 176.000 0.272 0.000 0.986 313 Q CA 2.399 58.452 55.803 0.417 0.000 0.843 313 Q CB 0.014 28.927 28.738 0.292 0.000 0.904 313 Q HN 0.445 nan 8.270 nan 0.000 0.420 314 A N 0.545 123.376 122.820 0.018 0.000 1.908 314 A HA -0.257 4.062 4.320 -0.000 0.000 0.218 314 A C 2.013 179.597 177.584 0.000 0.000 1.181 314 A CA 1.863 53.733 52.037 -0.278 0.000 0.627 314 A CB -0.592 17.870 19.000 -0.897 0.000 0.818 314 A HN 0.517 nan 8.150 nan 0.000 0.445 315 Q N -1.173 118.676 119.800 0.082 0.000 2.096 315 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 315 Q C 1.675 177.741 176.000 0.111 0.000 0.982 315 Q CA 1.795 57.647 55.803 0.081 0.000 0.850 315 Q CB -0.470 28.322 28.738 0.090 0.000 0.901 315 Q HN 0.692 nan 8.270 nan 0.000 0.422 316 F N -0.238 119.787 119.950 0.126 0.000 2.325 316 F HA -0.040 4.487 4.527 -0.000 0.000 0.299 316 F C 2.131 177.981 175.800 0.083 0.000 1.090 316 F CA 0.879 58.953 58.000 0.124 0.000 1.392 316 F CB -0.226 38.883 39.000 0.182 0.000 1.053 316 F HN 0.121 nan 8.300 nan 0.000 0.521 317 M N -0.401 119.359 119.600 0.266 0.000 2.175 317 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 317 M C 2.287 178.670 176.300 0.139 0.000 1.063 317 M CA 1.796 57.221 55.300 0.208 0.000 1.119 317 M CB -0.155 32.615 32.600 0.285 0.000 1.377 317 M HN 0.102 nan 8.290 nan 0.000 0.415 318 A N 0.412 123.294 122.820 0.104 0.000 1.898 318 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 318 A C 1.964 179.557 177.584 0.014 0.000 1.181 318 A CA 1.448 53.518 52.037 0.055 0.000 0.620 318 A CB -0.916 18.100 19.000 0.026 0.000 0.819 318 A HN 0.583 nan 8.150 nan 0.000 0.442 319 L N -0.224 120.986 121.223 -0.023 0.000 2.046 319 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 319 L C 2.110 178.974 176.870 -0.011 0.000 1.077 319 L CA 1.719 56.520 54.840 -0.064 0.000 0.747 319 L CB -0.477 41.470 42.059 -0.185 0.000 0.896 319 L HN 0.372 nan 8.230 nan 0.000 0.432 320 L N -0.440 120.804 121.223 0.034 0.000 2.376 320 L HA -0.088 4.252 4.340 -0.000 0.000 0.219 320 L C 2.533 179.430 176.870 0.046 0.000 1.133 320 L CA 0.940 55.811 54.840 0.052 0.000 0.816 320 L CB -0.695 41.414 42.059 0.084 0.000 0.933 320 L HN 0.494 nan 8.230 nan 0.000 0.449 321 S N -0.109 115.619 115.700 0.046 0.000 2.442 321 S HA -0.098 4.372 4.470 -0.000 0.000 0.236 321 S C 1.358 175.973 174.600 0.026 0.000 1.007 321 S CA 0.976 59.203 58.200 0.044 0.000 0.965 321 S CB -0.418 62.812 63.200 0.050 0.000 0.773 321 S HN 0.336 nan 8.310 nan 0.000 0.504 322 V N -2.173 117.748 119.914 0.013 0.000 3.085 322 V HA 0.810 4.930 4.120 -0.000 0.000 0.345 322 V C 0.390 176.487 176.094 0.004 0.000 1.397 322 V CA -0.621 61.680 62.300 0.001 0.000 1.165 322 V CB -0.759 31.053 31.823 -0.017 0.000 1.153 322 V HN 0.569 nan 8.190 nan 0.000 0.495 323 A N 0.588 123.417 122.820 0.014 0.000 2.282 323 A HA 0.650 4.970 4.320 -0.000 0.000 0.319 323 A C 0.110 177.705 177.584 0.020 0.000 1.121 323 A CA -0.796 51.250 52.037 0.016 0.000 0.836 323 A CB 0.967 19.980 19.000 0.023 0.000 1.146 323 A HN 0.431 nan 8.150 nan 0.000 0.494 324 K N 0.728 121.139 120.400 0.018 0.000 2.349 324 K HA 0.469 4.789 4.320 -0.000 0.000 0.288 324 K C 0.381 176.995 176.600 0.022 0.000 1.058 324 K CA 1.006 57.305 56.287 0.019 0.000 0.953 324 K CB -0.077 32.432 32.500 0.016 0.000 0.997 324 K HN 1.677 nan 8.250 nan 0.000 0.477 325 G N 2.679 111.493 108.800 0.023 0.000 2.462 325 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.685 325 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.685 325 G C -1.568 173.353 174.900 0.035 0.000 1.295 325 G CA -0.848 44.267 45.100 0.026 0.000 0.941 325 G HN 0.608 nan 8.290 nan 0.000 0.554 326 K N 0.273 120.697 120.400 0.040 0.000 2.240 326 K HA 0.647 4.967 4.320 -0.000 0.000 0.271 326 K C -0.164 176.482 176.600 0.076 0.000 1.018 326 K CA -0.406 55.917 56.287 0.060 0.000 0.874 326 K CB 0.758 33.290 32.500 0.054 0.000 1.098 326 K HN 0.532 nan 8.250 nan 0.000 0.458 327 S N 3.019 118.768 115.700 0.081 0.000 2.549 327 S HA 0.389 4.859 4.470 -0.000 0.000 0.297 327 S C -0.715 173.922 174.600 0.062 0.000 1.115 327 S CA -0.797 57.440 58.200 0.062 0.000 1.059 327 S CB 1.413 64.640 63.200 0.044 0.000 1.046 327 S HN 0.621 nan 8.310 nan 0.000 0.506 328 R N 1.959 122.467 120.500 0.013 0.000 2.343 328 R HA 0.535 4.875 4.340 -0.000 0.000 0.320 328 R C -1.724 174.489 176.300 -0.145 0.000 0.956 328 R CA -0.521 55.511 56.100 -0.113 0.000 0.836 328 R CB 0.290 30.569 30.300 -0.036 0.000 1.151 328 R HN 0.467 nan 8.270 nan 0.000 0.450 329 I N 4.527 124.983 120.570 -0.190 0.000 2.420 329 I HA 0.290 4.460 4.170 -0.000 0.000 0.282 329 I C -0.350 175.754 176.117 -0.022 0.000 1.019 329 I CA -0.265 60.989 61.300 -0.077 0.000 1.130 329 I CB 1.586 39.612 38.000 0.043 0.000 1.262 329 I HN 0.441 nan 8.210 nan 0.000 0.454 330 K N 4.430 124.822 120.400 -0.014 0.000 2.182 330 K HA 0.534 4.854 4.320 -0.000 0.000 0.262 330 K C -0.591 176.075 176.600 0.111 0.000 0.957 330 K CA -0.605 55.716 56.287 0.056 0.000 0.842 330 K CB 1.331 33.826 32.500 -0.008 0.000 1.099 330 K HN 0.420 nan 8.250 nan 0.000 0.438 331 E N 2.669 122.982 120.200 0.188 0.000 2.134 331 E HA 0.181 4.531 4.350 -0.000 0.000 0.278 331 E C -0.750 175.882 176.600 0.054 0.000 0.959 331 E CA -0.024 56.428 56.400 0.088 0.000 0.783 331 E CB 1.046 30.737 29.700 -0.016 0.000 1.095 331 E HN 0.682 nan 8.360 nan 0.000 0.399 332 N N 4.015 122.722 118.700 0.011 0.000 2.220 332 N HA 0.136 4.876 4.740 -0.000 0.000 0.195 332 N C 0.489 175.958 175.510 -0.068 0.000 1.123 332 N CA 0.015 53.058 53.050 -0.013 0.000 0.874 332 N CB 0.544 39.020 38.487 -0.017 0.000 0.995 332 N HN 0.424 nan 8.380 nan 0.000 0.498 333 I N -0.484 120.018 120.570 -0.114 0.000 2.962 333 I HA 0.135 4.304 4.170 -0.000 0.000 0.246 333 I C -0.251 175.638 176.117 -0.380 0.000 1.091 333 I CA 0.825 61.944 61.300 -0.301 0.000 1.469 333 I CB -0.542 37.227 38.000 -0.386 0.000 1.324 333 I HN -0.078 nan 8.210 nan 0.000 0.461 334 F N 2.001 121.912 119.950 -0.065 0.000 2.366 334 F HA 0.349 4.876 4.527 -0.000 0.000 0.357 334 F C 1.242 176.974 175.800 -0.114 0.000 1.107 334 F CA -0.804 57.136 58.000 -0.100 0.000 1.208 334 F CB 0.193 39.106 39.000 -0.145 0.000 1.464 334 F HN -0.019 nan 8.300 nan 0.000 0.501 335 E N -0.654 119.616 120.200 0.117 0.000 2.331 335 E HA -0.242 4.108 4.350 -0.000 0.000 0.199 335 E C 1.825 178.540 176.600 0.191 0.000 1.008 335 E CA 1.175 57.651 56.400 0.127 0.000 0.843 335 E CB -0.311 29.475 29.700 0.143 0.000 0.761 335 E HN 0.757 nan 8.360 nan 0.000 0.507 336 H N -0.456 118.650 119.070 0.060 0.000 2.592 336 H HA 0.217 4.772 4.556 -0.000 0.000 0.265 336 H C 0.868 176.181 175.328 -0.026 0.000 0.955 336 H CA -0.295 55.795 56.048 0.070 0.000 1.175 336 H CB 0.314 30.119 29.762 0.071 0.000 1.433 336 H HN -0.127 nan 8.280 nan 0.000 0.537 337 R N 0.900 121.370 120.500 -0.050 0.000 3.572 337 R HA -0.019 4.320 4.340 -0.000 0.000 0.186 337 R C -1.073 175.000 176.300 -0.378 0.000 1.727 337 R CA 0.253 56.259 56.100 -0.156 0.000 1.267 337 R CB -0.687 29.517 30.300 -0.159 0.000 1.318 337 R HN 0.401 nan 8.270 nan 0.000 0.718 338 F N -0.831 119.156 119.950 0.062 0.000 2.880 338 F HA 0.049 4.576 4.527 -0.000 0.000 0.328 338 F C 1.712 177.297 175.800 -0.358 0.000 1.146 338 F CA -0.581 57.242 58.000 -0.295 0.000 1.135 338 F CB 0.212 39.128 39.000 -0.140 0.000 1.151 338 F HN 0.469 nan 8.300 nan 0.000 0.523 339 H N 1.747 120.788 119.070 -0.050 0.000 2.353 339 H HA -0.218 4.338 4.556 -0.000 0.000 0.298 339 H C 2.151 177.464 175.328 -0.025 0.000 1.103 339 H CA 2.597 58.645 56.048 -0.000 0.000 1.293 339 H CB -0.201 29.599 29.762 0.064 0.000 1.372 339 H HN 0.470 nan 8.280 nan 0.000 0.501 340 H N -0.856 118.396 119.070 0.303 0.000 2.457 340 H HA -0.010 4.546 4.556 -0.000 0.000 0.297 340 H C 2.129 177.553 175.328 0.160 0.000 1.092 340 H CA 0.971 57.155 56.048 0.227 0.000 1.309 340 H CB -0.685 29.188 29.762 0.185 0.000 1.382 340 H HN 0.390 nan 8.280 nan 0.000 0.535 341 A N 1.265 124.003 122.820 -0.136 0.000 1.908 341 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 341 A C 2.475 180.061 177.584 0.003 0.000 1.181 341 A CA 2.056 54.091 52.037 -0.003 0.000 0.627 341 A CB -0.554 18.404 19.000 -0.069 0.000 0.818 341 A HN 0.437 nan 8.150 nan 0.000 0.445 342 Q N -0.400 119.367 119.800 -0.055 0.000 2.230 342 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 342 Q C 1.787 177.783 176.000 -0.007 0.000 0.963 342 Q CA 1.522 57.291 55.803 -0.057 0.000 0.866 342 Q CB -0.180 28.479 28.738 -0.131 0.000 0.931 342 Q HN 0.630 nan 8.270 nan 0.000 0.452 343 E N 0.013 120.233 120.200 0.033 0.000 2.106 343 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 343 E C 1.989 178.652 176.600 0.106 0.000 0.984 343 E CA 0.794 57.255 56.400 0.103 0.000 0.806 343 E CB -0.184 29.631 29.700 0.191 0.000 0.750 343 E HN 0.414 nan 8.360 nan 0.000 0.458 344 L N 1.270 122.562 121.223 0.115 0.000 2.093 344 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 344 L C 2.031 178.950 176.870 0.081 0.000 1.085 344 L CA 0.738 55.642 54.840 0.106 0.000 0.755 344 L CB -0.399 41.736 42.059 0.126 0.000 0.904 344 L HN 0.063 nan 8.230 nan 0.000 0.435 345 N N 0.343 119.080 118.700 0.062 0.000 2.289 345 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 345 N C 1.814 177.359 175.510 0.059 0.000 1.016 345 N CA 0.989 54.069 53.050 0.050 0.000 0.872 345 N CB -0.158 38.343 38.487 0.024 0.000 0.973 345 N HN 0.303 nan 8.380 nan 0.000 0.433 346 R N 0.238 120.775 120.500 0.062 0.000 2.237 346 R HA 0.074 4.414 4.340 -0.000 0.000 0.219 346 R C 1.258 177.611 176.300 0.090 0.000 1.080 346 R CA 0.504 56.645 56.100 0.069 0.000 0.995 346 R CB -0.020 30.325 30.300 0.075 0.000 0.875 346 R HN 0.232 nan 8.270 nan 0.000 0.462 347 L N -0.745 120.537 121.223 0.098 0.000 2.628 347 L HA 0.233 4.573 4.340 -0.000 0.000 0.229 347 L C 0.950 177.915 176.870 0.157 0.000 1.137 347 L CA 0.231 55.142 54.840 0.118 0.000 0.909 347 L CB 0.569 42.681 42.059 0.088 0.000 1.137 347 L HN 0.380 nan 8.230 nan 0.000 0.470 348 G N -0.041 108.848 108.800 0.148 0.000 2.159 348 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.227 348 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.227 348 G C 0.410 175.383 174.900 0.121 0.000 0.986 348 G CA -0.053 45.156 45.100 0.183 0.000 0.651 348 G HN 0.456 nan 8.290 nan 0.000 0.523 349 A N -0.243 122.629 122.820 0.086 0.000 2.310 349 A HA 0.653 4.973 4.320 -0.000 0.000 0.260 349 A C 0.611 178.230 177.584 0.057 0.000 1.112 349 A CA 0.579 52.656 52.037 0.066 0.000 0.804 349 A CB 0.419 19.457 19.000 0.064 0.000 1.081 349 A HN 0.864 nan 8.150 nan 0.000 0.499 350 N N 0.037 118.766 118.700 0.049 0.000 2.841 350 N HA 0.381 5.121 4.740 -0.000 0.000 0.257 350 N C -1.493 174.040 175.510 0.038 0.000 1.396 350 N CA -0.146 52.928 53.050 0.039 0.000 0.823 350 N CB -0.168 38.341 38.487 0.037 0.000 1.162 350 N HN 0.487 nan 8.380 nan 0.000 0.503 351 I N 0.985 121.574 120.570 0.031 0.000 2.404 351 I HA 0.394 4.564 4.170 -0.000 0.000 0.293 351 I C 0.392 176.510 176.117 0.002 0.000 0.992 351 I CA -0.719 60.595 61.300 0.023 0.000 1.149 351 I CB 1.983 39.995 38.000 0.021 0.000 1.315 351 I HN 0.259 nan 8.210 nan 0.000 0.446 352 T N 2.599 117.161 114.554 0.014 0.000 2.912 352 T HA 0.785 5.134 4.350 -0.000 0.000 0.288 352 T C -0.620 174.049 174.700 -0.052 0.000 1.030 352 T CA -0.785 61.317 62.100 0.004 0.000 1.020 352 T CB 2.087 70.985 68.868 0.050 0.000 1.056 352 T HN 0.223 nan 8.240 nan 0.000 0.480 353 V N 2.668 122.525 119.914 -0.094 0.000 2.577 353 V HA 0.655 4.775 4.120 -0.000 0.000 0.303 353 V C -0.748 175.286 176.094 -0.100 0.000 1.042 353 V CA -0.943 61.227 62.300 -0.216 0.000 0.872 353 V CB 1.727 33.372 31.823 -0.297 0.000 0.998 353 V HN 0.845 nan 8.190 nan 0.000 0.423 354 R N 3.561 124.015 120.500 -0.077 0.000 2.467 354 R HA 0.629 4.969 4.340 -0.000 0.000 0.299 354 R C 0.606 176.905 176.300 -0.002 0.000 1.120 354 R CA 0.181 56.287 56.100 0.009 0.000 0.940 354 R CB 1.120 31.489 30.300 0.116 0.000 1.161 354 R HN 1.108 nan 8.270 nan 0.000 0.506 355 G N 3.800 112.606 108.800 0.009 0.000 2.556 355 G HA2 -0.443 3.516 3.960 -0.000 0.000 0.283 355 G HA3 -0.443 3.516 3.960 -0.000 0.000 0.283 355 G C 0.462 175.419 174.900 0.095 0.000 1.177 355 G CA 0.436 45.566 45.100 0.050 0.000 0.978 355 G HN 0.759 nan 8.290 nan 0.000 0.554 356 N N 0.066 118.843 118.700 0.128 0.000 2.370 356 N HA 0.219 4.959 4.740 -0.000 0.000 0.198 356 N C 0.049 175.689 175.510 0.217 0.000 1.156 356 N CA 0.772 53.974 53.050 0.254 0.000 0.839 356 N CB 0.218 38.811 38.487 0.177 0.000 0.989 356 N HN 0.501 nan 8.380 nan 0.000 0.468 357 T N 0.640 115.169 114.554 -0.043 0.000 2.848 357 T HA 0.599 4.949 4.350 -0.000 0.000 0.285 357 T C -0.704 173.644 174.700 -0.587 0.000 0.995 357 T CA -0.643 61.300 62.100 -0.261 0.000 0.970 357 T CB 1.888 70.582 68.868 -0.290 0.000 0.976 357 T HN 0.267 nan 8.240 nan 0.000 0.441 358 A N 2.676 125.078 122.820 -0.697 0.000 2.340 358 A HA 0.824 5.144 4.320 -0.000 0.000 0.331 358 A C -1.609 175.608 177.584 -0.610 0.000 1.140 358 A CA -0.673 50.971 52.037 -0.656 0.000 0.801 358 A CB 0.730 19.345 19.000 -0.641 0.000 1.234 358 A HN 0.810 nan 8.150 nan 0.000 0.469 359 Y N 0.737 120.964 120.300 -0.122 0.000 2.350 359 Y HA 0.488 5.038 4.550 -0.000 0.000 0.338 359 Y C -0.187 175.690 175.900 -0.039 0.000 0.961 359 Y CA -0.683 57.380 58.100 -0.061 0.000 1.100 359 Y CB 2.246 40.672 38.460 -0.055 0.000 1.179 359 Y HN 0.353 nan 8.280 nan 0.000 0.454 360 V N 3.748 123.728 119.914 0.110 0.000 2.334 360 V HA 0.296 4.416 4.120 -0.000 0.000 0.281 360 V C -0.486 175.655 176.094 0.077 0.000 1.016 360 V CA -1.054 61.293 62.300 0.079 0.000 0.832 360 V CB 1.096 32.958 31.823 0.066 0.000 0.999 360 V HN 0.720 nan 8.190 nan 0.000 0.439 361 E N 3.748 123.987 120.200 0.064 0.000 2.046 361 E HA 0.420 4.770 4.350 -0.000 0.000 0.279 361 E C 0.726 177.351 176.600 0.042 0.000 0.989 361 E CA -0.373 56.056 56.400 0.048 0.000 0.798 361 E CB 1.466 31.187 29.700 0.035 0.000 1.086 361 E HN 0.841 nan 8.360 nan 0.000 0.399 362 G N 2.160 110.983 108.800 0.038 0.000 2.321 362 G HA2 0.197 4.157 3.960 -0.000 0.000 0.237 362 G HA3 0.197 4.157 3.960 -0.000 0.000 0.237 362 G C 0.312 175.229 174.900 0.029 0.000 1.282 362 G CA -0.308 44.812 45.100 0.032 0.000 0.886 362 G HN 0.344 nan 8.290 nan 0.000 0.528 363 V N 0.235 120.164 119.914 0.026 0.000 2.994 363 V HA 0.557 4.677 4.120 -0.000 0.000 0.318 363 V C 1.101 177.202 176.094 0.011 0.000 1.085 363 V CA -0.604 61.712 62.300 0.028 0.000 0.998 363 V CB 1.952 33.800 31.823 0.042 0.000 1.063 363 V HN 0.829 nan 8.190 nan 0.000 0.447 364 E N 1.281 121.489 120.200 0.013 0.000 2.150 364 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 364 E C 0.737 177.311 176.600 -0.043 0.000 0.985 364 E CA 1.010 57.408 56.400 -0.003 0.000 0.814 364 E CB 0.269 29.976 29.700 0.013 0.000 0.752 364 E HN 0.794 nan 8.360 nan 0.000 0.466 365 R N -1.060 119.390 120.500 -0.083 0.000 2.716 365 R HA 0.417 4.757 4.340 -0.000 0.000 0.271 365 R C -1.354 174.752 176.300 -0.324 0.000 1.028 365 R CA -0.831 55.144 56.100 -0.208 0.000 0.883 365 R CB 0.670 30.797 30.300 -0.287 0.000 1.250 365 R HN -0.071 nan 8.270 nan 0.000 0.465 366 L N 1.067 122.071 121.223 -0.366 0.000 2.334 366 L HA 0.569 4.909 4.340 -0.000 0.000 0.270 366 L C -1.101 175.453 176.870 -0.526 0.000 1.018 366 L CA -1.254 53.406 54.840 -0.300 0.000 0.811 366 L CB 1.519 43.516 42.059 -0.103 0.000 1.271 366 L HN 0.556 nan 8.230 nan 0.000 0.443 367 Y N -0.178 120.137 120.300 0.025 0.000 2.326 367 Y HA 0.425 4.975 4.550 -0.000 0.000 0.331 367 Y C 0.821 176.738 175.900 0.028 0.000 0.962 367 Y CA -0.778 57.337 58.100 0.024 0.000 1.167 367 Y CB 1.724 40.196 38.460 0.021 0.000 1.148 367 Y HN 0.604 nan 8.280 nan 0.000 0.463 368 G N 2.021 110.900 108.800 0.133 0.000 2.353 368 G HA2 0.398 4.358 3.960 -0.000 0.000 0.239 368 G HA3 0.398 4.358 3.960 -0.000 0.000 0.239 368 G C -0.086 174.874 174.900 0.101 0.000 1.295 368 G CA 0.409 45.567 45.100 0.097 0.000 0.884 368 G HN 0.741 nan 8.290 nan 0.000 0.537 369 S N 0.356 116.106 115.700 0.083 0.000 2.703 369 S HA 0.429 4.898 4.470 -0.000 0.000 0.273 369 S C -0.862 173.773 174.600 0.058 0.000 1.178 369 S CA -0.903 57.339 58.200 0.070 0.000 0.838 369 S CB 1.542 64.788 63.200 0.078 0.000 1.178 369 S HN 0.767 nan 8.310 nan 0.000 0.494 370 E N 0.636 120.864 120.200 0.047 0.000 2.259 370 E HA 0.521 4.871 4.350 -0.000 0.000 0.281 370 E C -0.511 176.132 176.600 0.071 0.000 1.037 370 E CA -0.739 55.674 56.400 0.022 0.000 0.854 370 E CB 0.893 30.596 29.700 0.005 0.000 1.051 370 E HN 0.711 nan 8.360 nan 0.000 0.409 371 V N 1.949 121.887 119.914 0.040 0.000 2.962 371 V HA 0.510 4.630 4.120 -0.000 0.000 0.313 371 V C -1.346 174.786 176.094 0.063 0.000 1.099 371 V CA -1.016 61.361 62.300 0.128 0.000 0.971 371 V CB 1.217 33.115 31.823 0.125 0.000 1.028 371 V HN 0.559 nan 8.190 nan 0.000 0.430 372 Y N 0.782 121.143 120.300 0.101 0.000 2.335 372 Y HA 0.655 5.205 4.550 -0.000 0.000 0.338 372 Y C 0.905 176.847 175.900 0.070 0.000 0.977 372 Y CA -0.162 57.991 58.100 0.088 0.000 1.114 372 Y CB 2.141 40.656 38.460 0.093 0.000 1.182 372 Y HN 0.803 nan 8.280 nan 0.000 0.463 373 S N 1.133 116.920 115.700 0.145 0.000 2.565 373 S HA 0.292 4.761 4.470 -0.000 0.000 0.276 373 S C 0.761 175.298 174.600 -0.106 0.000 1.326 373 S CA 0.116 58.356 58.200 0.066 0.000 1.045 373 S CB 0.666 63.933 63.200 0.112 0.000 0.918 373 S HN 0.857 nan 8.310 nan 0.000 0.505 374 T N -2.313 112.001 114.554 -0.399 0.000 3.191 374 T HA 0.198 4.547 4.350 -0.000 0.000 0.285 374 T C -0.660 173.607 174.700 -0.722 0.000 0.887 374 T CA -0.311 61.316 62.100 -0.789 0.000 0.881 374 T CB 0.185 68.666 68.868 -0.645 0.000 1.217 374 T HN 0.495 nan 8.240 nan 0.000 0.591 375 D N 1.825 121.987 120.400 -0.396 0.000 2.620 375 D HA 0.278 4.918 4.640 -0.000 0.000 0.252 375 D C 1.490 177.758 176.300 -0.053 0.000 1.207 375 D CA -0.633 53.253 54.000 -0.189 0.000 0.884 375 D CB 2.042 42.784 40.800 -0.097 0.000 1.262 375 D HN 0.322 nan 8.370 nan 0.000 0.552 376 L N 1.886 123.105 121.223 -0.007 0.000 2.270 376 L HA -0.108 4.232 4.340 -0.000 0.000 0.217 376 L C 1.483 178.373 176.870 0.034 0.000 1.107 376 L CA 1.160 56.018 54.840 0.031 0.000 0.772 376 L CB -0.127 41.910 42.059 -0.037 0.000 0.902 376 L HN 0.112 nan 8.230 nan 0.000 0.439 377 R N 0.124 120.633 120.500 0.015 0.000 2.144 377 R HA 0.367 4.707 4.340 -0.000 0.000 0.195 377 R C 2.405 178.790 176.300 0.143 0.000 1.077 377 R CA 1.240 57.387 56.100 0.078 0.000 1.120 377 R CB -0.742 29.541 30.300 -0.028 0.000 1.060 377 R HN 0.326 nan 8.270 nan 0.000 0.520 378 A N 0.059 122.896 122.820 0.027 0.000 1.972 378 A HA -0.113 4.206 4.320 -0.000 0.000 0.219 378 A C 1.824 179.386 177.584 -0.036 0.000 1.169 378 A CA 1.918 53.924 52.037 -0.053 0.000 0.635 378 A CB -0.622 18.325 19.000 -0.088 0.000 0.810 378 A HN 0.269 nan 8.150 nan 0.000 0.446 379 S N -0.217 115.504 115.700 0.035 0.000 2.547 379 S HA 0.084 4.554 4.470 -0.000 0.000 0.235 379 S C 1.953 176.580 174.600 0.045 0.000 0.980 379 S CA 0.678 58.910 58.200 0.055 0.000 0.941 379 S CB -0.300 62.931 63.200 0.052 0.000 0.763 379 S HN 0.771 nan 8.310 nan 0.000 0.532 380 A N 1.806 124.643 122.820 0.028 0.000 2.070 380 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 380 A C 2.277 179.812 177.584 -0.082 0.000 1.159 380 A CA 1.561 53.537 52.037 -0.102 0.000 0.656 380 A CB -0.779 18.055 19.000 -0.277 0.000 0.800 380 A HN 0.623 nan 8.150 nan 0.000 0.453 381 S N 0.229 115.904 115.700 -0.043 0.000 2.399 381 S HA -0.125 4.344 4.470 -0.000 0.000 0.231 381 S C 1.782 176.391 174.600 0.015 0.000 1.022 381 S CA 1.464 59.648 58.200 -0.027 0.000 0.983 381 S CB -0.708 62.466 63.200 -0.043 0.000 0.803 381 S HN 0.504 nan 8.310 nan 0.000 0.480 382 L N 0.804 122.054 121.223 0.045 0.000 2.109 382 L HA 0.015 4.354 4.340 -0.000 0.000 0.207 382 L C 2.678 179.582 176.870 0.057 0.000 1.086 382 L CA 0.702 55.585 54.840 0.072 0.000 0.760 382 L CB -0.711 41.407 42.059 0.099 0.000 0.910 382 L HN 0.236 nan 8.230 nan 0.000 0.437 383 V N 0.276 120.216 119.914 0.043 0.000 2.307 383 V HA -0.259 3.860 4.120 -0.000 0.000 0.245 383 V C 2.454 178.537 176.094 -0.018 0.000 1.045 383 V CA 1.519 63.844 62.300 0.042 0.000 1.024 383 V CB -0.325 31.516 31.823 0.030 0.000 0.651 383 V HN 0.317 nan 8.190 nan 0.000 0.449 384 L N 0.149 121.337 121.223 -0.058 0.000 2.012 384 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 384 L C 2.757 179.605 176.870 -0.036 0.000 1.073 384 L CA 1.791 56.588 54.840 -0.073 0.000 0.748 384 L CB -0.837 41.164 42.059 -0.096 0.000 0.891 384 L HN 0.369 nan 8.230 nan 0.000 0.431 385 A N 0.230 123.045 122.820 -0.009 0.000 1.902 385 A HA -0.148 4.171 4.320 -0.000 0.000 0.217 385 A C 2.374 179.961 177.584 0.005 0.000 1.181 385 A CA 1.724 53.764 52.037 0.004 0.000 0.623 385 A CB -1.297 17.722 19.000 0.032 0.000 0.818 385 A HN 0.471 nan 8.150 nan 0.000 0.443 386 G N -0.326 108.485 108.800 0.019 0.000 2.470 386 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.220 386 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.220 386 G C 1.435 176.339 174.900 0.006 0.000 1.121 386 G CA 0.943 46.058 45.100 0.026 0.000 0.766 386 G HN 0.464 nan 8.290 nan 0.000 0.553 387 L N 0.420 121.637 121.223 -0.009 0.000 2.201 387 L HA -0.014 4.326 4.340 -0.000 0.000 0.212 387 L C 2.623 179.481 176.870 -0.019 0.000 1.105 387 L CA 0.924 55.754 54.840 -0.018 0.000 0.775 387 L CB -0.080 41.962 42.059 -0.028 0.000 0.913 387 L HN 0.311 nan 8.230 nan 0.000 0.440 388 V N -4.575 115.324 119.914 -0.025 0.000 3.645 388 V HA 0.422 4.542 4.120 -0.000 0.000 0.275 388 V C 1.100 177.161 176.094 -0.055 0.000 1.356 388 V CA -0.105 62.173 62.300 -0.037 0.000 1.051 388 V CB -0.277 31.521 31.823 -0.041 0.000 0.828 388 V HN 0.104 nan 8.190 nan 0.000 0.441 389 A N 1.166 123.959 122.820 -0.045 0.000 2.462 389 A HA 0.330 4.650 4.320 -0.000 0.000 0.243 389 A C 0.343 177.893 177.584 -0.058 0.000 1.076 389 A CA 0.046 52.044 52.037 -0.065 0.000 0.773 389 A CB 0.088 19.078 19.000 -0.015 0.000 1.010 389 A HN 0.678 nan 8.150 nan 0.000 0.493 390 Q N 1.315 121.048 119.800 -0.112 0.000 2.300 390 Q HA 0.401 4.741 4.340 -0.000 0.000 0.280 390 Q C 0.999 177.026 176.000 0.044 0.000 1.033 390 Q CA 1.180 56.956 55.803 -0.044 0.000 0.903 390 Q CB 0.197 28.890 28.738 -0.076 0.000 1.195 390 Q HN 1.783 nan 8.270 nan 0.000 0.386 391 G N 3.273 112.100 108.800 0.045 0.000 2.520 391 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 391 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 391 G C -0.943 173.985 174.900 0.047 0.000 1.161 391 G CA 0.155 45.290 45.100 0.057 0.000 0.946 391 G HN 0.864 nan 8.290 nan 0.000 0.565 392 E N -0.743 119.491 120.200 0.056 0.000 2.293 392 E HA 0.686 5.035 4.350 -0.000 0.000 0.270 392 E C -1.303 175.334 176.600 0.062 0.000 0.879 392 E CA -0.672 55.761 56.400 0.055 0.000 0.756 392 E CB 2.100 31.834 29.700 0.056 0.000 1.208 392 E HN 0.428 nan 8.360 nan 0.000 0.428 393 T N 1.829 116.423 114.554 0.065 0.000 2.792 393 T HA 0.349 4.699 4.350 -0.000 0.000 0.280 393 T C -0.615 174.138 174.700 0.088 0.000 0.990 393 T CA -0.590 61.553 62.100 0.071 0.000 0.960 393 T CB 1.358 70.267 68.868 0.068 0.000 0.939 393 T HN 0.341 nan 8.240 nan 0.000 0.439 394 V N 4.228 124.182 119.914 0.066 0.000 2.347 394 V HA 0.355 4.474 4.120 -0.000 0.000 0.280 394 V C -0.093 176.015 176.094 0.025 0.000 1.021 394 V CA -0.725 61.615 62.300 0.065 0.000 0.847 394 V CB 1.540 33.344 31.823 -0.032 0.000 0.990 394 V HN 0.716 nan 8.190 nan 0.000 0.444 395 V N 6.577 126.547 119.914 0.093 0.000 2.318 395 V HA 0.460 4.580 4.120 -0.000 0.000 0.271 395 V C 0.432 176.485 176.094 -0.069 0.000 1.030 395 V CA -0.808 61.506 62.300 0.022 0.000 0.844 395 V CB 0.934 32.821 31.823 0.106 0.000 1.015 395 V HN 0.730 nan 8.190 nan 0.000 0.460 396 R N 2.526 122.875 120.500 -0.252 0.000 2.560 396 R HA 0.267 4.607 4.340 -0.000 0.000 0.270 396 R C 0.091 176.308 176.300 -0.139 0.000 1.074 396 R CA -0.472 55.428 56.100 -0.333 0.000 1.140 396 R CB 0.209 29.916 30.300 -0.988 0.000 1.073 396 R HN 0.760 nan 8.270 nan 0.000 0.527 397 D N 0.270 120.656 120.400 -0.024 0.000 2.697 397 D HA -0.111 4.529 4.640 -0.000 0.000 0.238 397 D C 1.070 177.415 176.300 0.074 0.000 1.152 397 D CA 1.048 55.096 54.000 0.080 0.000 0.666 397 D CB -1.217 39.713 40.800 0.217 0.000 1.037 397 D HN 0.479 nan 8.370 nan 0.000 0.423 398 V N -2.166 117.710 119.914 -0.063 0.000 3.383 398 V HA -0.230 3.889 4.120 -0.000 0.000 0.272 398 V C 2.077 178.166 176.094 -0.009 0.000 1.181 398 V CA 1.406 63.590 62.300 -0.194 0.000 1.171 398 V CB -0.980 30.386 31.823 -0.761 0.000 0.800 398 V HN 0.434 nan 8.190 nan 0.000 0.515 399 Y N 1.529 121.756 120.300 -0.122 0.000 2.193 399 Y HA -0.292 4.258 4.550 -0.000 0.000 0.285 399 Y C 2.594 178.368 175.900 -0.210 0.000 1.166 399 Y CA 2.430 60.361 58.100 -0.281 0.000 1.181 399 Y CB -0.460 37.567 38.460 -0.721 0.000 0.976 399 Y HN 0.403 nan 8.280 nan 0.000 0.520 400 H N 0.023 119.055 119.070 -0.062 0.000 2.353 400 H HA -0.149 4.407 4.556 -0.000 0.000 0.300 400 H C 2.373 177.643 175.328 -0.097 0.000 1.090 400 H CA 2.007 57.988 56.048 -0.112 0.000 1.327 400 H CB -0.493 29.272 29.762 0.006 0.000 1.383 400 H HN 0.408 nan 8.280 nan 0.000 0.508 401 L N 0.603 121.895 121.223 0.115 0.000 2.201 401 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 401 L C 1.866 178.839 176.870 0.170 0.000 1.105 401 L CA 0.778 55.741 54.840 0.205 0.000 0.775 401 L CB -0.211 41.964 42.059 0.195 0.000 0.913 401 L HN 0.105 nan 8.230 nan 0.000 0.440 402 D N -0.024 120.403 120.400 0.044 0.000 2.264 402 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 402 D C 2.278 178.544 176.300 -0.056 0.000 0.966 402 D CA 0.795 54.822 54.000 0.045 0.000 0.864 402 D CB 0.030 40.884 40.800 0.089 0.000 0.933 402 D HN 0.291 nan 8.370 nan 0.000 0.499 403 R N -0.167 120.224 120.500 -0.182 0.000 2.093 403 R HA 0.058 4.398 4.340 -0.000 0.000 0.224 403 R C 2.098 178.318 176.300 -0.134 0.000 1.101 403 R CA 1.099 57.081 56.100 -0.195 0.000 0.979 403 R CB -0.019 30.123 30.300 -0.263 0.000 0.877 403 R HN 0.102 nan 8.270 nan 0.000 0.441 404 G N -1.182 107.533 108.800 -0.141 0.000 2.921 404 G HA2 0.045 4.005 3.960 -0.000 0.000 0.213 404 G HA3 0.045 4.005 3.960 -0.000 0.000 0.213 404 G C -0.245 174.297 174.900 -0.596 0.000 1.143 404 G CA 0.025 44.910 45.100 -0.359 0.000 0.764 404 G HN 0.082 nan 8.290 nan 0.000 0.542 405 Y N -0.628 119.696 120.300 0.041 0.000 2.492 405 Y HA 0.470 5.020 4.550 -0.000 0.000 0.346 405 Y C -0.367 175.587 175.900 0.090 0.000 0.997 405 Y CA -1.413 56.732 58.100 0.075 0.000 1.025 405 Y CB 1.876 40.388 38.460 0.087 0.000 1.263 405 Y HN -0.027 nan 8.280 nan 0.000 0.454 406 E N 3.377 123.727 120.200 0.249 0.000 2.146 406 E HA 0.275 4.625 4.350 -0.000 0.000 0.282 406 E C -0.724 175.986 176.600 0.184 0.000 0.989 406 E CA -0.493 56.015 56.400 0.180 0.000 0.799 406 E CB 0.383 30.165 29.700 0.137 0.000 1.088 406 E HN 0.635 nan 8.360 nan 0.000 0.397 407 K N 3.295 123.788 120.400 0.155 0.000 3.156 407 K HA -0.233 4.087 4.320 -0.000 0.000 0.266 407 K C 0.755 177.442 176.600 0.144 0.000 0.966 407 K CA 0.174 56.536 56.287 0.124 0.000 0.719 407 K CB -0.995 31.552 32.500 0.078 0.000 1.333 407 K HN 0.585 nan 8.250 nan 0.000 0.468 408 L N 1.884 123.219 121.223 0.186 0.000 1.970 408 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 408 L C 2.698 179.593 176.870 0.042 0.000 1.071 408 L CA 2.408 57.340 54.840 0.152 0.000 0.751 408 L CB -0.278 41.849 42.059 0.114 0.000 0.889 408 L HN 0.459 nan 8.230 nan 0.000 0.432 409 E N -0.565 119.584 120.200 -0.085 0.000 2.110 409 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 409 E C 1.810 178.332 176.600 -0.131 0.000 0.988 409 E CA 1.699 57.921 56.400 -0.296 0.000 0.804 409 E CB -0.537 28.802 29.700 -0.603 0.000 0.745 409 E HN 0.622 nan 8.360 nan 0.000 0.458 410 E N 1.398 121.571 120.200 -0.046 0.000 2.072 410 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 410 E C 2.096 178.691 176.600 -0.008 0.000 0.985 410 E CA 1.395 57.780 56.400 -0.025 0.000 0.801 410 E CB -0.069 29.628 29.700 -0.004 0.000 0.750 410 E HN 0.301 nan 8.360 nan 0.000 0.452 411 K N 0.205 120.627 120.400 0.036 0.000 2.097 411 K HA -0.058 4.261 4.320 -0.000 0.000 0.205 411 K C 2.132 178.770 176.600 0.062 0.000 1.050 411 K CA 0.874 57.174 56.287 0.021 0.000 0.938 411 K CB -0.149 32.379 32.500 0.045 0.000 0.718 411 K HN 0.103 nan 8.250 nan 0.000 0.442 412 L N 0.992 122.296 121.223 0.135 0.000 2.056 412 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 412 L C 2.503 179.383 176.870 0.017 0.000 1.078 412 L CA 1.039 55.947 54.840 0.113 0.000 0.749 412 L CB -0.344 41.728 42.059 0.022 0.000 0.901 412 L HN 0.073 nan 8.230 nan 0.000 0.433 413 K N 1.146 121.529 120.400 -0.028 0.000 2.063 413 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 413 K C 2.052 178.636 176.600 -0.026 0.000 1.048 413 K CA 1.651 57.913 56.287 -0.040 0.000 0.928 413 K CB -0.213 32.253 32.500 -0.056 0.000 0.713 413 K HN 0.058 nan 8.250 nan 0.000 0.442 414 K N 0.006 120.391 120.400 -0.026 0.000 2.280 414 K HA -0.052 4.267 4.320 -0.000 0.000 0.202 414 K C 1.304 177.887 176.600 -0.028 0.000 1.047 414 K CA 1.115 57.382 56.287 -0.032 0.000 0.942 414 K CB 0.002 32.474 32.500 -0.046 0.000 0.739 414 K HN 0.221 nan 8.250 nan 0.000 0.457 415 L N -0.453 120.762 121.223 -0.014 0.000 2.611 415 L HA 0.171 4.511 4.340 -0.000 0.000 0.229 415 L C 0.970 177.842 176.870 0.003 0.000 1.137 415 L CA 0.427 55.266 54.840 -0.002 0.000 0.901 415 L CB 0.466 42.543 42.059 0.029 0.000 1.098 415 L HN 0.548 nan 8.230 nan 0.000 0.456 416 G N -0.166 108.631 108.800 -0.005 0.000 2.176 416 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.232 416 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.232 416 G C 0.374 175.269 174.900 -0.009 0.000 0.986 416 G CA -0.117 44.978 45.100 -0.007 0.000 0.643 416 G HN 0.433 nan 8.290 nan 0.000 0.522 417 A N 0.440 123.254 122.820 -0.010 0.000 2.440 417 A HA 0.523 4.843 4.320 -0.000 0.000 0.251 417 A C 0.174 177.738 177.584 -0.033 0.000 1.089 417 A CA 0.167 52.192 52.037 -0.021 0.000 0.779 417 A CB 0.307 19.290 19.000 -0.029 0.000 1.022 417 A HN 0.176 nan 8.150 nan 0.000 0.492 418 D N 2.055 122.439 120.400 -0.028 0.000 2.619 418 D HA 0.320 4.959 4.640 -0.000 0.000 0.224 418 D C -0.614 175.664 176.300 -0.037 0.000 1.133 418 D CA 0.452 54.436 54.000 -0.027 0.000 1.017 418 D CB 0.080 40.873 40.800 -0.012 0.000 1.077 418 D HN 0.386 nan 8.370 nan 0.000 0.503 419 I N 0.986 121.514 120.570 -0.070 0.000 2.603 419 I HA 0.384 4.554 4.170 -0.000 0.000 0.300 419 I C -0.737 175.306 176.117 -0.123 0.000 1.017 419 I CA -0.959 60.273 61.300 -0.112 0.000 1.098 419 I CB 1.768 39.642 38.000 -0.211 0.000 1.279 419 I HN 0.135 nan 8.210 nan 0.000 0.437 420 E N 6.020 126.156 120.200 -0.107 0.000 2.390 420 E HA 0.494 4.843 4.350 -0.000 0.000 0.277 420 E C -1.463 175.118 176.600 -0.033 0.000 0.939 420 E CA -1.116 55.236 56.400 -0.079 0.000 0.769 420 E CB 1.630 31.311 29.700 -0.033 0.000 1.251 420 E HN 0.607 nan 8.360 nan 0.000 0.450 421 R N 1.931 122.424 120.500 -0.011 0.000 2.393 421 R HA 0.472 4.812 4.340 -0.000 0.000 0.310 421 R C -1.434 174.823 176.300 -0.072 0.000 0.968 421 R CA -0.669 55.491 56.100 0.100 0.000 0.867 421 R CB 1.726 32.134 30.300 0.180 0.000 1.124 421 R HN 0.460 nan 8.270 nan 0.000 0.450 422 V N 3.742 123.493 119.914 -0.272 0.000 2.328 422 V HA 0.200 4.320 4.120 -0.000 0.000 0.278 422 V C -0.173 175.716 176.094 -0.343 0.000 1.021 422 V CA -0.540 61.504 62.300 -0.427 0.000 0.838 422 V CB 1.495 32.766 31.823 -0.919 0.000 0.999 422 V HN 0.808 nan 8.190 nan 0.000 0.447 423 S N 4.854 120.451 115.700 -0.171 0.000 2.510 423 S HA 0.410 4.880 4.470 -0.000 0.000 0.279 423 S C -0.050 174.512 174.600 -0.064 0.000 1.284 423 S CA -0.127 58.005 58.200 -0.113 0.000 1.059 423 S CB 0.759 63.902 63.200 -0.095 0.000 0.901 423 S HN 0.866 nan 8.310 nan 0.000 0.491 424 E N 0.000 120.199 120.200 -0.001 0.000 2.725 424 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 424 E CA 0.000 56.442 56.400 0.070 0.000 0.976 424 E CB 0.000 29.792 29.700 0.153 0.000 0.812 424 E HN 0.000 nan 8.360 nan 0.000 0.440