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 2bkz_1_A DATA FIRST_RESID -3 DATA SEQUENCE PLVDMENFQK VEKIGEGTYG VVYKARNKLT GEVVALKKIR LDTETEGVPS DATA SEQUENCE TAIREISLLK ELNHPNIVKL LDVIHTENKL YLVFEFLHQD LKKFMDASAL DATA SEQUENCE TGIPLPLIKS YLFQLLQGLA FCHSHRVLHR DLKPQNLLIN TEGAIKLADF DATA SEQUENCE GLARAFGVPV RTYTHEVVTL WYRAPEILLG CKYYSTAVDI WSLGCIFAEM DATA SEQUENCE VTRRALFPGD SEIDQLFRIF RTLGTPDEVV WPGVTSMPDY KPSFPKWARQ DATA SEQUENCE DFSKVVPPLD EDGRSLLSQM LHYDPNKRIS AKAALAHPFF QDVTKPVPHL DATA SEQUENCE RL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -3 P HA 0.000 nan 4.420 nan 0.000 0.216 -3 P C 0.000 177.324 177.300 0.040 0.000 1.155 -3 P CA 0.000 63.129 63.100 0.048 0.000 0.800 -3 P CB 0.000 31.743 31.700 0.071 0.000 0.726 -2 L N 0.661 121.903 121.223 0.032 0.000 2.201 -2 L HA -0.043 4.297 4.340 -0.000 0.000 0.212 -2 L C 2.446 179.312 176.870 -0.006 0.000 1.105 -2 L CA 0.881 55.734 54.840 0.021 0.000 0.775 -2 L CB -0.441 41.631 42.059 0.022 0.000 0.913 -2 L HN -0.098 nan 8.230 nan 0.000 0.440 -1 V N 0.027 119.932 119.914 -0.014 0.000 2.244 -1 V HA -0.279 3.841 4.120 -0.000 0.000 0.244 -1 V C 2.000 178.057 176.094 -0.062 0.000 1.042 -1 V CA 2.113 64.392 62.300 -0.036 0.000 1.006 -1 V CB -0.457 31.345 31.823 -0.034 0.000 0.641 -1 V HN 0.378 nan 8.190 nan 0.000 0.446 0 D N -0.303 120.065 120.400 -0.055 0.000 2.116 0 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 0 D C 2.135 178.372 176.300 -0.105 0.000 0.998 0 D CA 1.447 55.393 54.000 -0.090 0.000 0.836 0 D CB -0.240 40.545 40.800 -0.024 0.000 0.951 0 D HN 0.174 nan 8.370 nan 0.000 0.449 1 M N 0.172 119.754 119.600 -0.031 0.000 2.267 1 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 1 M C 1.913 178.193 176.300 -0.034 0.000 1.063 1 M CA 1.072 56.361 55.300 -0.018 0.000 1.090 1 M CB -0.629 31.905 32.600 -0.109 0.000 1.392 1 M HN 0.002 nan 8.290 nan 0.000 0.422 2 E N 0.865 121.026 120.200 -0.065 0.000 2.208 2 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 2 E C 1.341 177.879 176.600 -0.104 0.000 0.988 2 E CA 0.959 57.320 56.400 -0.065 0.000 0.828 2 E CB -0.204 29.462 29.700 -0.056 0.000 0.763 2 E HN 0.407 nan 8.360 nan 0.000 0.478 3 N N -0.233 118.346 118.700 -0.202 0.000 2.521 3 N HA -0.053 4.687 4.740 -0.000 0.000 0.188 3 N C -0.616 174.664 175.510 -0.384 0.000 1.146 3 N CA 0.353 53.218 53.050 -0.308 0.000 0.893 3 N CB 0.018 38.254 38.487 -0.419 0.000 0.975 3 N HN 0.075 nan 8.380 nan 0.000 0.451 4 F N 0.787 120.680 119.950 -0.095 0.000 2.421 4 F HA 0.315 4.842 4.527 -0.000 0.000 0.337 4 F C 0.594 176.338 175.800 -0.093 0.000 1.105 4 F CA -1.109 56.831 58.000 -0.100 0.000 1.049 4 F CB 1.372 40.287 39.000 -0.141 0.000 1.139 4 F HN -0.230 nan 8.300 nan 0.000 0.479 5 Q N 3.883 123.784 119.800 0.167 0.000 2.348 5 Q HA 0.299 4.639 4.340 -0.000 0.000 0.265 5 Q C -1.022 175.006 176.000 0.046 0.000 0.998 5 Q CA -0.558 55.283 55.803 0.065 0.000 0.831 5 Q CB 0.941 29.702 28.738 0.037 0.000 1.251 5 Q HN 0.479 nan 8.270 nan 0.000 0.456 6 K N 2.823 123.224 120.400 0.002 0.000 2.368 6 K HA 0.126 4.446 4.320 -0.000 0.000 0.282 6 K C 0.167 176.787 176.600 0.034 0.000 1.035 6 K CA -0.181 56.100 56.287 -0.010 0.000 0.973 6 K CB 1.132 33.588 32.500 -0.073 0.000 0.957 6 K HN 0.486 nan 8.250 nan 0.000 0.474 7 V N 2.087 122.035 119.914 0.057 0.000 2.490 7 V HA -0.049 4.071 4.120 -0.000 0.000 0.238 7 V C 0.325 176.469 176.094 0.082 0.000 1.056 7 V CA 0.963 63.290 62.300 0.044 0.000 1.075 7 V CB -0.185 31.638 31.823 -0.000 0.000 0.746 7 V HN 0.979 nan 8.190 nan 0.000 0.479 8 E N -0.351 119.928 120.200 0.132 0.000 2.388 8 E HA 0.323 4.673 4.350 -0.000 0.000 0.281 8 E C -1.094 175.608 176.600 0.169 0.000 1.046 8 E CA -0.877 55.610 56.400 0.145 0.000 0.825 8 E CB 1.581 31.333 29.700 0.086 0.000 1.243 8 E HN 0.111 nan 8.360 nan 0.000 0.438 9 K N 2.166 122.617 120.400 0.086 0.000 2.350 9 K HA 0.261 4.581 4.320 -0.000 0.000 0.279 9 K C 0.655 177.215 176.600 -0.066 0.000 1.027 9 K CA 0.020 56.217 56.287 -0.150 0.000 0.969 9 K CB 0.495 32.858 32.500 -0.228 0.000 0.954 9 K HN 0.659 nan 8.250 nan 0.000 0.474 10 I N -0.092 120.433 120.570 -0.075 0.000 4.327 10 I HA 0.447 4.617 4.170 -0.000 0.000 0.331 10 I C 0.375 176.472 176.117 -0.033 0.000 1.348 10 I CA -0.560 60.735 61.300 -0.008 0.000 1.152 10 I CB 1.096 39.136 38.000 0.066 0.000 1.151 10 I HN 0.572 nan 8.210 nan 0.000 0.410 11 G N 0.819 109.576 108.800 -0.072 0.000 2.632 11 G HA2 0.595 4.555 3.960 -0.000 0.000 0.292 11 G HA3 0.595 4.555 3.960 -0.000 0.000 0.292 11 G C -1.820 173.053 174.900 -0.045 0.000 1.465 11 G CA -0.366 44.717 45.100 -0.029 0.000 0.824 11 G HN 0.176 nan 8.290 nan 0.000 0.509 12 E N -1.275 118.895 120.200 -0.051 0.000 2.459 12 E HA 0.784 5.134 4.350 -0.000 0.000 0.275 12 E C -0.060 176.296 176.600 -0.405 0.000 0.987 12 E CA -0.503 55.788 56.400 -0.182 0.000 0.828 12 E CB 2.807 32.404 29.700 -0.172 0.000 1.428 12 E HN 1.268 nan 8.360 nan 0.000 0.457 13 G N -0.835 107.577 108.800 -0.647 0.000 2.333 13 G HA2 0.013 3.973 3.960 -0.000 0.000 0.288 13 G HA3 0.013 3.973 3.960 -0.000 0.000 0.288 13 G C 0.119 174.622 174.900 -0.662 0.000 1.286 13 G CA -0.036 44.604 45.100 -0.766 0.000 0.865 13 G HN 0.354 nan 8.290 nan 0.000 0.506 14 T N 0.431 114.699 114.554 -0.475 0.000 2.857 14 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 14 T C 2.092 176.689 174.700 -0.171 0.000 1.048 14 T CA 2.632 64.594 62.100 -0.229 0.000 1.139 14 T CB -0.500 68.314 68.868 -0.090 0.000 0.874 14 T HN 0.568 nan 8.240 nan 0.000 0.455 15 Y N 1.432 121.722 120.300 -0.016 0.000 2.207 15 Y HA 0.272 4.822 4.550 -0.000 0.000 0.287 15 Y C 1.632 177.523 175.900 -0.015 0.000 1.156 15 Y CA 0.476 58.569 58.100 -0.011 0.000 1.182 15 Y CB -0.932 37.525 38.460 -0.005 0.000 0.979 15 Y HN 0.288 nan 8.280 nan 0.000 0.521 16 G N -0.651 108.106 108.800 -0.072 0.000 2.104 16 G HA2 0.265 4.225 3.960 -0.000 0.000 0.055 16 G HA3 0.265 4.225 3.960 -0.000 0.000 0.055 16 G C -1.325 173.564 174.900 -0.018 0.000 0.815 16 G CA -0.232 44.879 45.100 0.018 0.000 1.125 16 G HN 0.300 nan 8.290 nan 0.000 0.379 17 V N 0.012 120.033 119.914 0.178 0.000 3.120 17 V HA 0.672 4.792 4.120 -0.000 0.000 0.303 17 V C -0.719 175.467 176.094 0.152 0.000 1.238 17 V CA -0.686 61.657 62.300 0.072 0.000 1.008 17 V CB 2.009 33.750 31.823 -0.136 0.000 1.064 17 V HN 0.896 nan 8.190 nan 0.000 0.434 18 V N 3.408 123.333 119.914 0.018 0.000 2.378 18 V HA 0.546 4.666 4.120 -0.000 0.000 0.288 18 V C -1.139 174.925 176.094 -0.049 0.000 1.016 18 V CA -0.600 61.739 62.300 0.065 0.000 0.840 18 V CB 1.161 33.001 31.823 0.029 0.000 0.994 18 V HN 0.740 nan 8.190 nan 0.000 0.431 19 Y N 2.423 122.783 120.300 0.099 0.000 2.496 19 Y HA 0.548 5.098 4.550 -0.000 0.000 0.331 19 Y C 0.350 176.303 175.900 0.089 0.000 1.140 19 Y CA -1.060 57.091 58.100 0.084 0.000 1.166 19 Y CB 1.404 39.904 38.460 0.067 0.000 1.249 19 Y HN 0.459 nan 8.280 nan 0.000 0.479 20 K N 1.492 122.044 120.400 0.253 0.000 2.156 20 K HA 0.829 5.149 4.320 -0.000 0.000 0.271 20 K C -1.199 175.445 176.600 0.072 0.000 0.995 20 K CA -0.331 56.052 56.287 0.159 0.000 0.890 20 K CB 0.724 33.271 32.500 0.079 0.000 1.073 20 K HN 0.846 nan 8.250 nan 0.000 0.454 21 A N 3.781 126.601 122.820 0.001 0.000 2.569 21 A HA 0.621 4.941 4.320 -0.000 0.000 0.290 21 A C -1.492 176.101 177.584 0.015 0.000 1.136 21 A CA -0.912 51.120 52.037 -0.009 0.000 0.710 21 A CB 1.620 20.567 19.000 -0.088 0.000 1.303 21 A HN 0.805 nan 8.150 nan 0.000 0.413 22 R N 1.036 121.593 120.500 0.096 0.000 2.621 22 R HA 0.310 4.650 4.340 -0.000 0.000 0.292 22 R C -1.222 175.201 176.300 0.204 0.000 0.969 22 R CA -0.674 55.490 56.100 0.106 0.000 0.887 22 R CB 1.229 31.544 30.300 0.024 0.000 1.180 22 R HN 0.814 nan 8.270 nan 0.000 0.450 23 N N 3.525 122.324 118.700 0.164 0.000 2.405 23 N HA 0.003 4.743 4.740 -0.000 0.000 0.260 23 N C 0.117 175.592 175.510 -0.058 0.000 1.152 23 N CA 0.368 53.408 53.050 -0.016 0.000 0.948 23 N CB 1.065 39.525 38.487 -0.046 0.000 1.111 23 N HN 0.621 nan 8.380 nan 0.000 0.485 24 K N 3.023 123.366 120.400 -0.095 0.000 2.152 24 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 24 K C 1.440 177.996 176.600 -0.074 0.000 1.048 24 K CA 1.131 57.376 56.287 -0.070 0.000 0.933 24 K CB 0.254 32.710 32.500 -0.074 0.000 0.721 24 K HN 0.535 nan 8.250 nan 0.000 0.447 25 L N -0.038 121.123 121.223 -0.103 0.000 2.249 25 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 25 L C 2.360 179.192 176.870 -0.063 0.000 1.090 25 L CA 1.109 55.900 54.840 -0.083 0.000 0.802 25 L CB -0.205 41.794 42.059 -0.100 0.000 0.947 25 L HN 0.281 nan 8.230 nan 0.000 0.453 26 T N -4.972 109.543 114.554 -0.065 0.000 2.990 26 T HA 0.260 4.610 4.350 -0.000 0.000 0.250 26 T C 1.516 176.202 174.700 -0.024 0.000 1.041 26 T CA 0.537 62.612 62.100 -0.041 0.000 1.010 26 T CB 0.865 69.710 68.868 -0.039 0.000 1.003 26 T HN 0.358 nan 8.240 nan 0.000 0.499 27 G N 1.700 110.487 108.800 -0.023 0.000 2.179 27 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 27 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 27 G C -0.101 174.800 174.900 0.002 0.000 0.977 27 G CA 0.334 45.428 45.100 -0.011 0.000 0.641 27 G HN 0.919 nan 8.290 nan 0.000 0.533 28 E N 0.647 120.856 120.200 0.015 0.000 2.415 28 E HA 0.340 4.690 4.350 -0.000 0.000 0.263 28 E C 0.422 177.051 176.600 0.048 0.000 0.995 28 E CA -0.318 56.103 56.400 0.035 0.000 0.915 28 E CB 0.549 30.280 29.700 0.052 0.000 0.951 28 E HN 0.170 nan 8.360 nan 0.000 0.449 29 V N 5.302 125.223 119.914 0.013 0.000 2.546 29 V HA 0.347 4.467 4.120 -0.000 0.000 0.284 29 V C 0.212 176.324 176.094 0.031 0.000 1.050 29 V CA -0.277 61.997 62.300 -0.044 0.000 0.981 29 V CB 1.357 33.070 31.823 -0.184 0.000 0.990 29 V HN 0.572 nan 8.190 nan 0.000 0.474 30 V N 3.179 123.114 119.914 0.036 0.000 3.206 30 V HA 0.909 5.029 4.120 -0.000 0.000 0.305 30 V C -0.735 175.456 176.094 0.162 0.000 1.257 30 V CA -0.359 62.014 62.300 0.121 0.000 1.057 30 V CB 2.623 34.497 31.823 0.084 0.000 1.075 30 V HN 1.036 nan 8.190 nan 0.000 0.443 31 A N 3.414 126.363 122.820 0.215 0.000 2.303 31 A HA 0.846 5.166 4.320 -0.000 0.000 0.320 31 A C -1.250 176.449 177.584 0.192 0.000 1.192 31 A CA -0.474 51.705 52.037 0.236 0.000 0.821 31 A CB 0.787 19.908 19.000 0.201 0.000 1.188 31 A HN 0.729 nan 8.150 nan 0.000 0.492 32 L N 2.412 123.729 121.223 0.156 0.000 2.280 32 L HA 0.445 4.785 4.340 -0.000 0.000 0.287 32 L C 0.158 177.213 176.870 0.308 0.000 1.023 32 L CA -0.510 54.426 54.840 0.159 0.000 0.819 32 L CB 1.726 43.803 42.059 0.029 0.000 1.212 32 L HN 0.792 nan 8.230 nan 0.000 0.420 33 K N 4.738 125.333 120.400 0.325 0.000 2.292 33 K HA 0.257 4.577 4.320 -0.000 0.000 0.270 33 K C -0.444 176.291 176.600 0.226 0.000 1.062 33 K CA -0.574 55.878 56.287 0.275 0.000 0.916 33 K CB 0.878 33.531 32.500 0.255 0.000 1.166 33 K HN 0.357 nan 8.250 nan 0.000 0.458 34 K N 4.961 125.504 120.400 0.239 0.000 2.205 34 K HA 0.298 4.618 4.320 -0.000 0.000 0.279 34 K C -0.888 175.700 176.600 -0.020 0.000 1.027 34 K CA -0.438 55.843 56.287 -0.010 0.000 0.932 34 K CB 0.649 33.212 32.500 0.106 0.000 1.032 34 K HN 0.595 nan 8.250 nan 0.000 0.466 35 I N 4.777 125.241 120.570 -0.177 0.000 2.468 35 I HA 0.279 4.449 4.170 -0.000 0.000 0.284 35 I C -0.287 175.750 176.117 -0.134 0.000 1.038 35 I CA -0.780 60.471 61.300 -0.083 0.000 1.083 35 I CB 1.815 39.779 38.000 -0.060 0.000 1.223 35 I HN 0.520 nan 8.210 nan 0.000 0.443 36 R N 5.607 126.064 120.500 -0.072 0.000 2.298 36 R HA 0.343 4.683 4.340 -0.000 0.000 0.310 36 R C 0.698 176.973 176.300 -0.042 0.000 1.068 36 R CA -0.222 55.841 56.100 -0.061 0.000 0.957 36 R CB 1.146 31.429 30.300 -0.028 0.000 1.003 36 R HN 0.666 nan 8.270 nan 0.000 0.454 37 L N 1.640 122.840 121.223 -0.038 0.000 2.307 37 L HA -0.016 4.324 4.340 -0.000 0.000 0.211 37 L C 0.891 177.764 176.870 0.004 0.000 1.099 37 L CA 0.615 55.445 54.840 -0.016 0.000 0.816 37 L CB 0.048 42.105 42.059 -0.004 0.000 0.952 37 L HN 0.571 nan 8.230 nan 0.000 0.455 38 D N -0.359 120.044 120.400 0.006 0.000 2.352 38 D HA -0.057 4.583 4.640 -0.000 0.000 0.232 38 D C 1.743 178.047 176.300 0.007 0.000 1.055 38 D CA 0.586 54.593 54.000 0.011 0.000 0.891 38 D CB 0.341 41.150 40.800 0.014 0.000 0.897 38 D HN 0.237 nan 8.370 nan 0.000 0.529 39 T N 1.334 115.889 114.554 0.002 0.000 2.812 39 T HA -0.131 4.219 4.350 -0.000 0.000 0.264 39 T C 1.321 176.022 174.700 0.002 0.000 1.042 39 T CA 1.129 63.229 62.100 -0.000 0.000 1.140 39 T CB 0.176 69.040 68.868 -0.005 0.000 0.870 39 T HN 0.268 nan 8.240 nan 0.000 0.445 40 E N 0.399 120.602 120.200 0.005 0.000 2.630 40 E HA 0.179 4.529 4.350 -0.000 0.000 0.218 40 E C 0.457 177.064 176.600 0.012 0.000 0.977 40 E CA 0.077 56.481 56.400 0.008 0.000 1.038 40 E CB -0.894 28.812 29.700 0.009 0.000 1.051 40 E HN 0.325 nan 8.360 nan 0.000 0.487 41 T N -0.631 113.932 114.554 0.013 0.000 3.290 41 T HA -0.275 4.075 4.350 -0.000 0.000 0.422 41 T C 0.395 175.107 174.700 0.019 0.000 0.771 41 T CA 1.274 63.384 62.100 0.017 0.000 2.100 41 T CB -1.342 67.535 68.868 0.016 0.000 1.676 41 T HN 0.252 nan 8.240 nan 0.000 0.613 42 E N -0.030 120.183 120.200 0.021 0.000 2.789 42 E HA 0.486 4.836 4.350 -0.000 0.000 0.217 42 E C 1.130 177.747 176.600 0.029 0.000 0.970 42 E CA 0.923 57.337 56.400 0.023 0.000 1.201 42 E CB 0.742 30.455 29.700 0.021 0.000 1.069 42 E HN 1.348 nan 8.360 nan 0.000 0.499 43 G N -0.335 108.485 108.800 0.034 0.000 2.545 43 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 43 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 43 G C -0.623 174.300 174.900 0.038 0.000 1.314 43 G CA -0.493 44.635 45.100 0.046 0.000 0.906 43 G HN 0.213 nan 8.290 nan 0.000 0.563 44 V N 3.122 123.064 119.914 0.046 0.000 2.479 44 V HA 0.349 4.469 4.120 -0.000 0.000 0.281 44 V C -1.222 174.883 176.094 0.018 0.000 1.031 44 V CA -0.228 62.079 62.300 0.013 0.000 1.038 44 V CB 0.826 32.661 31.823 0.020 0.000 0.981 44 V HN 0.630 nan 8.190 nan 0.000 0.478 45 P HA 0.074 nan 4.420 nan 0.000 0.265 45 P C 0.915 178.236 177.300 0.035 0.000 1.187 45 P CA 0.224 63.340 63.100 0.027 0.000 0.766 45 P CB 0.514 32.232 31.700 0.029 0.000 0.820 46 S N 1.201 116.928 115.700 0.045 0.000 2.383 46 S HA -0.185 4.285 4.470 -0.000 0.000 0.229 46 S C 1.826 176.459 174.600 0.056 0.000 1.030 46 S CA 2.059 60.291 58.200 0.053 0.000 1.002 46 S CB -1.141 62.097 63.200 0.064 0.000 0.829 46 S HN 0.744 nan 8.310 nan 0.000 0.467 47 T N 1.146 115.735 114.554 0.057 0.000 2.788 47 T HA 0.012 4.362 4.350 -0.000 0.000 0.268 47 T C 1.928 176.658 174.700 0.050 0.000 1.044 47 T CA 1.113 63.246 62.100 0.055 0.000 1.139 47 T CB -0.552 68.352 68.868 0.062 0.000 0.867 47 T HN 0.396 nan 8.240 nan 0.000 0.454 48 A N 1.845 124.689 122.820 0.040 0.000 1.897 48 A HA 0.138 4.458 4.320 -0.000 0.000 0.215 48 A C 2.406 180.005 177.584 0.026 0.000 1.181 48 A CA 1.003 53.056 52.037 0.027 0.000 0.620 48 A CB -0.645 18.354 19.000 -0.001 0.000 0.821 48 A HN 0.430 nan 8.150 nan 0.000 0.443 49 I N 0.111 120.699 120.570 0.030 0.000 2.151 49 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 49 I C 2.599 178.740 176.117 0.041 0.000 1.080 49 I CA 1.684 63.005 61.300 0.034 0.000 1.339 49 I CB -1.221 36.803 38.000 0.040 0.000 1.039 49 I HN 0.383 nan 8.210 nan 0.000 0.409 50 R N 0.184 120.715 120.500 0.052 0.000 2.073 50 R HA -0.150 4.190 4.340 -0.000 0.000 0.229 50 R C 2.182 178.528 176.300 0.076 0.000 1.120 50 R CA 1.152 57.290 56.100 0.064 0.000 0.967 50 R CB -0.292 30.050 30.300 0.070 0.000 0.862 50 R HN 0.446 nan 8.270 nan 0.000 0.436 51 E N 1.285 121.534 120.200 0.082 0.000 2.051 51 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 51 E C 1.941 178.568 176.600 0.046 0.000 0.991 51 E CA 1.172 57.639 56.400 0.111 0.000 0.799 51 E CB -0.020 29.759 29.700 0.133 0.000 0.748 51 E HN 0.234 nan 8.360 nan 0.000 0.449 52 I N 1.065 121.646 120.570 0.019 0.000 2.113 52 I HA -0.285 3.885 4.170 -0.000 0.000 0.238 52 I C 2.783 178.886 176.117 -0.023 0.000 1.070 52 I CA 1.440 62.724 61.300 -0.027 0.000 1.332 52 I CB -0.493 37.490 38.000 -0.028 0.000 1.044 52 I HN 0.241 nan 8.210 nan 0.000 0.402 53 S N 1.287 116.988 115.700 0.002 0.000 2.382 53 S HA -0.134 4.336 4.470 -0.000 0.000 0.228 53 S C 1.963 176.566 174.600 0.005 0.000 1.027 53 S CA 1.080 59.284 58.200 0.007 0.000 0.991 53 S CB -0.825 62.387 63.200 0.021 0.000 0.823 53 S HN 0.401 nan 8.310 nan 0.000 0.469 54 L N -0.256 120.976 121.223 0.015 0.000 2.127 54 L HA 0.153 4.493 4.340 -0.000 0.000 0.203 54 L C 2.565 179.397 176.870 -0.063 0.000 1.080 54 L CA 0.469 55.319 54.840 0.017 0.000 0.768 54 L CB -0.499 41.613 42.059 0.087 0.000 0.924 54 L HN 0.273 nan 8.230 nan 0.000 0.444 55 L N 0.943 122.084 121.223 -0.137 0.000 2.141 55 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 55 L C 2.520 179.301 176.870 -0.147 0.000 1.094 55 L CA 1.682 56.364 54.840 -0.264 0.000 0.763 55 L CB -0.592 41.314 42.059 -0.256 0.000 0.908 55 L HN 0.291 nan 8.230 nan 0.000 0.437 56 K N -1.319 119.028 120.400 -0.088 0.000 2.555 56 K HA -0.098 4.222 4.320 -0.000 0.000 0.193 56 K C 1.312 177.900 176.600 -0.020 0.000 1.032 56 K CA 1.136 57.388 56.287 -0.059 0.000 1.004 56 K CB -0.136 32.335 32.500 -0.049 0.000 0.804 56 K HN 0.388 nan 8.250 nan 0.000 0.496 57 E N 0.685 120.881 120.200 -0.006 0.000 2.476 57 E HA 0.173 4.523 4.350 -0.000 0.000 0.199 57 E C -0.404 176.252 176.600 0.093 0.000 1.021 57 E CA -0.133 56.297 56.400 0.050 0.000 0.907 57 E CB 0.428 30.163 29.700 0.058 0.000 0.974 57 E HN 0.269 nan 8.360 nan 0.000 0.489 58 L N 1.944 123.190 121.223 0.039 0.000 2.313 58 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 58 L C -0.345 176.532 176.870 0.011 0.000 1.028 58 L CA -0.302 54.604 54.840 0.110 0.000 0.871 58 L CB 0.815 42.877 42.059 0.004 0.000 1.242 58 L HN -0.036 nan 8.230 nan 0.000 0.434 59 N N 3.299 122.006 118.700 0.011 0.000 2.501 59 N HA 0.270 5.010 4.740 -0.000 0.000 0.245 59 N C -1.299 173.972 175.510 -0.398 0.000 0.974 59 N CA -0.337 52.633 53.050 -0.133 0.000 0.941 59 N CB 0.783 39.236 38.487 -0.058 0.000 1.122 59 N HN 0.564 nan 8.380 nan 0.000 0.507 60 H N 3.349 122.110 119.070 -0.514 0.000 3.079 60 H HA 0.235 4.791 4.556 -0.000 0.000 0.356 60 H C -2.340 172.782 175.328 -0.342 0.000 1.221 60 H CA -1.214 54.445 56.048 -0.648 0.000 1.185 60 H CB 2.486 31.607 29.762 -1.068 0.000 1.882 60 H HN 0.333 nan 8.280 nan 0.000 0.543 61 P HA -0.037 nan 4.420 nan 0.000 0.218 61 P C 0.024 177.259 177.300 -0.109 0.000 1.148 61 P CA 1.323 64.228 63.100 -0.324 0.000 0.822 61 P CB 0.266 31.731 31.700 -0.391 0.000 0.784 62 N N -0.898 117.869 118.700 0.112 0.000 2.327 62 N HA 0.220 4.960 4.740 -0.000 0.000 0.231 62 N C -0.281 175.268 175.510 0.066 0.000 1.130 62 N CA -0.024 53.085 53.050 0.098 0.000 0.845 62 N CB 0.058 38.604 38.487 0.099 0.000 1.073 62 N HN 0.146 nan 8.380 nan 0.000 0.496 63 I N 0.397 120.996 120.570 0.049 0.000 2.499 63 I HA 0.174 4.344 4.170 -0.000 0.000 0.288 63 I C -0.222 175.893 176.117 -0.002 0.000 1.048 63 I CA -1.131 60.191 61.300 0.036 0.000 1.062 63 I CB 2.230 40.226 38.000 -0.006 0.000 1.238 63 I HN -0.185 nan 8.210 nan 0.000 0.426 64 V N 6.825 126.755 119.914 0.028 0.000 2.644 64 V HA -0.056 4.064 4.120 -0.000 0.000 0.305 64 V C 0.449 176.578 176.094 0.059 0.000 1.053 64 V CA 0.579 62.896 62.300 0.029 0.000 1.186 64 V CB 0.768 32.599 31.823 0.013 0.000 0.895 64 V HN 0.723 nan 8.190 nan 0.000 0.490 65 K N 5.508 125.950 120.400 0.069 0.000 2.258 65 K HA 0.371 4.691 4.320 -0.000 0.000 0.284 65 K C -0.751 175.901 176.600 0.085 0.000 1.051 65 K CA -0.754 55.557 56.287 0.041 0.000 0.923 65 K CB 1.026 33.529 32.500 0.004 0.000 1.046 65 K HN 0.623 nan 8.250 nan 0.000 0.474 66 L N 6.683 127.880 121.223 -0.043 0.000 2.255 66 L HA 0.198 4.538 4.340 -0.000 0.000 0.289 66 L C 0.192 176.955 176.870 -0.179 0.000 1.046 66 L CA 0.246 54.928 54.840 -0.263 0.000 0.816 66 L CB 0.743 42.608 42.059 -0.323 0.000 1.197 66 L HN 0.827 nan 8.230 nan 0.000 0.427 67 L N 3.026 124.152 121.223 -0.162 0.000 2.307 67 L HA 0.296 4.636 4.340 -0.000 0.000 0.211 67 L C 0.154 176.984 176.870 -0.067 0.000 1.099 67 L CA 0.387 55.185 54.840 -0.071 0.000 0.816 67 L CB -0.086 41.971 42.059 -0.005 0.000 0.952 67 L HN 0.663 nan 8.230 nan 0.000 0.455 68 D N -2.373 117.956 120.400 -0.118 0.000 2.764 68 D HA 0.367 5.007 4.640 -0.000 0.000 0.293 68 D C -1.624 174.623 176.300 -0.088 0.000 1.287 68 D CA -0.211 53.752 54.000 -0.060 0.000 0.768 68 D CB 2.204 43.020 40.800 0.027 0.000 1.288 68 D HN -0.351 nan 8.370 nan 0.000 0.426 69 V N 1.713 121.614 119.914 -0.022 0.000 2.567 69 V HA 0.506 4.626 4.120 -0.000 0.000 0.298 69 V C -0.702 175.437 176.094 0.075 0.000 1.047 69 V CA -0.558 61.743 62.300 0.001 0.000 0.880 69 V CB 1.505 33.319 31.823 -0.015 0.000 1.009 69 V HN 0.405 nan 8.190 nan 0.000 0.429 70 I N 4.551 125.201 120.570 0.133 0.000 2.362 70 I HA 0.458 4.628 4.170 -0.000 0.000 0.289 70 I C -0.248 176.016 176.117 0.244 0.000 0.994 70 I CA -0.297 61.113 61.300 0.184 0.000 1.158 70 I CB 1.223 39.333 38.000 0.183 0.000 1.315 70 I HN 0.547 nan 8.210 nan 0.000 0.451 71 H N 5.813 124.947 119.070 0.107 0.000 2.691 71 H HA 0.409 4.965 4.556 -0.000 0.000 0.281 71 H C 0.092 175.470 175.328 0.084 0.000 1.121 71 H CA -0.358 55.741 56.048 0.085 0.000 1.254 71 H CB 0.632 30.423 29.762 0.048 0.000 1.390 71 H HN 0.778 nan 8.280 nan 0.000 0.491 72 T N 0.748 115.517 114.554 0.358 0.000 2.994 72 T HA 0.142 4.492 4.350 -0.000 0.000 0.322 72 T C 1.324 176.155 174.700 0.220 0.000 1.199 72 T CA -0.450 61.788 62.100 0.230 0.000 0.945 72 T CB 0.918 69.907 68.868 0.203 0.000 1.754 72 T HN 0.377 nan 8.240 nan 0.000 0.571 73 E N 0.985 121.264 120.200 0.132 0.000 2.051 73 E HA -0.023 4.327 4.350 -0.000 0.000 0.189 73 E C 1.874 178.541 176.600 0.113 0.000 0.979 73 E CA 1.040 57.498 56.400 0.096 0.000 0.803 73 E CB -0.179 29.557 29.700 0.060 0.000 0.761 73 E HN 0.587 nan 8.360 nan 0.000 0.451 74 N N 0.363 119.121 118.700 0.097 0.000 2.273 74 N HA 0.052 4.792 4.740 -0.000 0.000 0.192 74 N C -0.098 175.427 175.510 0.025 0.000 1.132 74 N CA 0.234 53.322 53.050 0.063 0.000 0.887 74 N CB 0.979 39.494 38.487 0.047 0.000 1.048 74 N HN -0.046 nan 8.380 nan 0.000 0.490 75 K N 0.482 120.900 120.400 0.029 0.000 2.328 75 K HA 0.517 4.837 4.320 -0.000 0.000 0.246 75 K C -1.250 175.258 176.600 -0.154 0.000 0.955 75 K CA -0.599 55.614 56.287 -0.123 0.000 0.817 75 K CB 2.373 34.734 32.500 -0.232 0.000 1.208 75 K HN -0.153 nan 8.250 nan 0.000 0.432 76 L N 2.226 123.252 121.223 -0.329 0.000 2.376 76 L HA 0.496 4.836 4.340 -0.000 0.000 0.275 76 L C -1.901 174.793 176.870 -0.294 0.000 0.987 76 L CA -0.362 54.309 54.840 -0.282 0.000 0.828 76 L CB 0.774 42.628 42.059 -0.343 0.000 1.249 76 L HN 0.556 nan 8.230 nan 0.000 0.409 77 Y N 5.216 125.494 120.300 -0.036 0.000 2.364 77 Y HA 0.603 5.152 4.550 -0.000 0.000 0.340 77 Y C -0.451 175.416 175.900 -0.056 0.000 0.975 77 Y CA -0.760 57.328 58.100 -0.021 0.000 1.089 77 Y CB 1.786 40.233 38.460 -0.023 0.000 1.192 77 Y HN 0.353 nan 8.280 nan 0.000 0.454 78 L N 4.763 126.041 121.223 0.091 0.000 2.296 78 L HA 0.577 4.917 4.340 -0.000 0.000 0.286 78 L C -0.834 175.944 176.870 -0.153 0.000 1.023 78 L CA -1.100 53.669 54.840 -0.118 0.000 0.812 78 L CB 1.241 43.220 42.059 -0.134 0.000 1.223 78 L HN 0.327 nan 8.230 nan 0.000 0.421 79 V N 3.747 123.487 119.914 -0.291 0.000 2.370 79 V HA 0.460 4.580 4.120 -0.000 0.000 0.279 79 V C -0.293 175.626 176.094 -0.291 0.000 1.029 79 V CA -0.279 61.909 62.300 -0.186 0.000 0.870 79 V CB 1.054 32.816 31.823 -0.102 0.000 0.984 79 V HN 0.402 nan 8.190 nan 0.000 0.451 80 F N 1.682 121.621 119.950 -0.019 0.000 2.598 80 F HA 0.538 5.065 4.527 -0.000 0.000 0.327 80 F C 0.700 176.506 175.800 0.010 0.000 1.057 80 F CA -1.229 56.763 58.000 -0.014 0.000 0.957 80 F CB 1.203 40.184 39.000 -0.032 0.000 1.278 80 F HN 0.618 nan 8.300 nan 0.000 0.484 81 E N 0.546 120.878 120.200 0.219 0.000 2.422 81 E HA 0.133 4.483 4.350 -0.000 0.000 0.260 81 E C -1.268 175.421 176.600 0.148 0.000 1.108 81 E CA -0.339 56.146 56.400 0.142 0.000 0.943 81 E CB 0.733 30.479 29.700 0.077 0.000 0.961 81 E HN 0.471 nan 8.360 nan 0.000 0.443 82 F N 1.711 121.646 119.950 -0.024 0.000 2.421 82 F HA 0.478 5.005 4.527 -0.000 0.000 0.337 82 F C -1.419 174.276 175.800 -0.175 0.000 1.105 82 F CA -0.914 57.034 58.000 -0.086 0.000 1.049 82 F CB 0.790 39.735 39.000 -0.091 0.000 1.139 82 F HN 0.341 nan 8.300 nan 0.000 0.479 83 L N 5.715 126.280 121.223 -1.096 0.000 2.381 83 L HA 0.347 4.687 4.340 -0.000 0.000 0.268 83 L C 0.405 176.543 176.870 -1.221 0.000 0.997 83 L CA -0.471 53.845 54.840 -0.874 0.000 0.818 83 L CB 1.999 43.805 42.059 -0.422 0.000 1.310 83 L HN 0.683 nan 8.230 nan 0.000 0.416 84 H N -0.329 118.445 119.070 -0.493 0.000 2.421 84 H HA 0.036 4.592 4.556 -0.000 0.000 0.298 84 H C 0.254 175.468 175.328 -0.190 0.000 1.087 84 H CA 1.009 56.913 56.048 -0.239 0.000 1.330 84 H CB 0.131 29.889 29.762 -0.005 0.000 1.388 84 H HN 0.506 nan 8.280 nan 0.000 0.526 85 Q N 0.331 120.079 119.800 -0.087 0.000 2.633 85 Q HA 0.155 4.495 4.340 -0.000 0.000 0.289 85 Q C -1.779 174.158 176.000 -0.106 0.000 0.940 85 Q CA -0.905 54.858 55.803 -0.066 0.000 0.785 85 Q CB 1.788 30.533 28.738 0.011 0.000 1.467 85 Q HN 0.310 nan 8.270 nan 0.000 0.401 86 D N 0.592 120.950 120.400 -0.071 0.000 2.277 86 D HA 0.195 4.835 4.640 -0.000 0.000 0.250 86 D C 0.722 177.009 176.300 -0.021 0.000 1.032 86 D CA -0.686 53.266 54.000 -0.081 0.000 0.947 86 D CB 0.918 41.673 40.800 -0.076 0.000 1.159 86 D HN 0.458 nan 8.370 nan 0.000 0.460 87 L N 0.704 121.901 121.223 -0.043 0.000 2.191 87 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 87 L C 2.006 178.945 176.870 0.115 0.000 1.103 87 L CA 1.765 56.635 54.840 0.049 0.000 0.769 87 L CB -0.764 41.282 42.059 -0.022 0.000 0.908 87 L HN 0.670 nan 8.230 nan 0.000 0.438 88 K N -0.409 120.022 120.400 0.052 0.000 2.001 88 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 88 K C 2.311 178.955 176.600 0.072 0.000 1.048 88 K CA 1.664 57.987 56.287 0.059 0.000 0.932 88 K CB -0.159 32.358 32.500 0.030 0.000 0.715 88 K HN 0.240 nan 8.250 nan 0.000 0.437 89 K N -0.285 120.157 120.400 0.070 0.000 2.063 89 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 89 K C 2.064 178.733 176.600 0.116 0.000 1.048 89 K CA 1.581 57.911 56.287 0.072 0.000 0.928 89 K CB -0.245 32.292 32.500 0.062 0.000 0.713 89 K HN 0.138 nan 8.250 nan 0.000 0.442 90 F N 1.325 121.274 119.950 -0.001 0.000 2.146 90 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 90 F C 1.952 177.765 175.800 0.022 0.000 1.096 90 F CA 1.438 59.445 58.000 0.011 0.000 1.275 90 F CB -0.152 38.873 39.000 0.042 0.000 1.008 90 F HN -0.006 nan 8.300 nan 0.000 0.480 91 M N -0.212 119.387 119.600 -0.002 0.000 2.117 91 M HA -0.215 4.265 4.480 -0.000 0.000 0.262 91 M C 1.806 178.036 176.300 -0.116 0.000 1.065 91 M CA 1.701 56.943 55.300 -0.097 0.000 1.114 91 M CB -0.624 31.994 32.600 0.029 0.000 1.361 91 M HN 0.042 nan 8.290 nan 0.000 0.408 92 D N 0.744 121.112 120.400 -0.052 0.000 2.097 92 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 92 D C 1.915 178.163 176.300 -0.087 0.000 0.989 92 D CA 1.699 55.672 54.000 -0.045 0.000 0.827 92 D CB -0.197 40.597 40.800 -0.010 0.000 0.966 92 D HN 0.341 nan 8.370 nan 0.000 0.456 93 A N 0.226 122.978 122.820 -0.113 0.000 2.172 93 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 93 A C 2.040 179.492 177.584 -0.219 0.000 1.154 93 A CA 0.995 52.949 52.037 -0.139 0.000 0.701 93 A CB -0.034 18.899 19.000 -0.113 0.000 0.789 93 A HN 0.094 nan 8.150 nan 0.000 0.465 94 S N -0.801 114.715 115.700 -0.306 0.000 2.557 94 S HA 0.403 4.873 4.470 -0.000 0.000 0.223 94 S C 1.811 176.304 174.600 -0.179 0.000 0.969 94 S CA 0.296 58.307 58.200 -0.315 0.000 0.927 94 S CB 0.266 63.142 63.200 -0.540 0.000 0.806 94 S HN 0.713 nan 8.310 nan 0.000 0.489 95 A N 2.062 124.804 122.820 -0.129 0.000 1.873 95 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 95 A C 2.048 179.591 177.584 -0.069 0.000 1.193 95 A CA 1.623 53.610 52.037 -0.084 0.000 0.629 95 A CB -0.772 18.192 19.000 -0.060 0.000 0.826 95 A HN 0.474 nan 8.150 nan 0.000 0.447 96 L N 0.198 121.385 121.223 -0.061 0.000 1.989 96 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 96 L C 2.687 179.533 176.870 -0.040 0.000 1.071 96 L CA 3.272 58.087 54.840 -0.042 0.000 0.749 96 L CB -0.928 41.112 42.059 -0.031 0.000 0.890 96 L HN 0.573 nan 8.230 nan 0.000 0.431 97 T N -3.160 111.367 114.554 -0.045 0.000 3.044 97 T HA 0.450 4.800 4.350 -0.000 0.000 0.255 97 T C 1.028 175.701 174.700 -0.045 0.000 1.073 97 T CA 0.312 62.392 62.100 -0.033 0.000 1.125 97 T CB -0.674 68.186 68.868 -0.013 0.000 0.908 97 T HN 0.928 nan 8.240 nan 0.000 0.480 98 G N 1.233 109.988 108.800 -0.074 0.000 2.716 98 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.686 98 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.686 98 G C -0.618 174.238 174.900 -0.073 0.000 1.337 98 G CA -0.621 44.434 45.100 -0.075 0.000 0.829 98 G HN 0.648 nan 8.290 nan 0.000 0.599 99 I N 2.752 123.283 120.570 -0.065 0.000 2.416 99 I HA 0.210 4.380 4.170 -0.000 0.000 0.288 99 I C -1.541 174.591 176.117 0.024 0.000 1.051 99 I CA -1.647 59.645 61.300 -0.013 0.000 1.375 99 I CB 1.085 39.119 38.000 0.057 0.000 1.407 99 I HN 0.240 nan 8.210 nan 0.000 0.516 100 P HA 0.011 nan 4.420 nan 0.000 0.264 100 P C 0.804 178.123 177.300 0.032 0.000 1.183 100 P CA 0.011 63.124 63.100 0.022 0.000 0.763 100 P CB 0.565 32.276 31.700 0.017 0.000 0.807 101 L N 4.793 126.040 121.223 0.039 0.000 2.079 101 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 101 L C -0.650 176.250 176.870 0.049 0.000 1.081 101 L CA 1.891 56.776 54.840 0.075 0.000 0.752 101 L CB -1.699 40.405 42.059 0.075 0.000 0.896 101 L HN 0.448 nan 8.230 nan 0.000 0.433 102 P HA -0.179 nan 4.420 nan 0.000 0.217 102 P C 1.708 178.977 177.300 -0.052 0.000 1.150 102 P CA 1.012 64.089 63.100 -0.038 0.000 0.832 102 P CB 0.109 31.782 31.700 -0.044 0.000 0.787 103 L N -0.955 120.223 121.223 -0.074 0.000 2.109 103 L HA -0.032 4.308 4.340 -0.000 0.000 0.207 103 L C 2.083 178.823 176.870 -0.217 0.000 1.086 103 L CA 1.519 56.229 54.840 -0.217 0.000 0.760 103 L CB -1.040 40.872 42.059 -0.244 0.000 0.910 103 L HN -0.134 nan 8.230 nan 0.000 0.437 104 I N -0.346 120.224 120.570 0.000 0.000 2.226 104 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 104 I C 2.538 178.807 176.117 0.253 0.000 1.100 104 I CA 1.607 63.016 61.300 0.181 0.000 1.374 104 I CB -0.373 37.799 38.000 0.287 0.000 1.057 104 I HN 0.323 nan 8.210 nan 0.000 0.413 105 K N 0.523 121.050 120.400 0.211 0.000 2.057 105 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 105 K C 2.369 179.147 176.600 0.297 0.000 1.049 105 K CA 1.814 58.242 56.287 0.236 0.000 0.931 105 K CB -0.110 32.336 32.500 -0.091 0.000 0.714 105 K HN 0.118 nan 8.250 nan 0.000 0.440 106 S N -0.477 115.309 115.700 0.145 0.000 2.348 106 S HA -0.166 4.304 4.470 -0.000 0.000 0.221 106 S C 1.932 176.730 174.600 0.330 0.000 1.033 106 S CA 1.097 59.405 58.200 0.181 0.000 1.010 106 S CB -0.416 62.806 63.200 0.037 0.000 0.891 106 S HN 0.391 nan 8.310 nan 0.000 0.442 107 Y N 1.224 121.615 120.300 0.152 0.000 2.128 107 Y HA -0.041 4.509 4.550 -0.000 0.000 0.284 107 Y C 2.365 178.324 175.900 0.098 0.000 1.154 107 Y CA 0.755 58.917 58.100 0.103 0.000 1.149 107 Y CB -1.357 37.162 38.460 0.098 0.000 0.976 107 Y HN 0.313 nan 8.280 nan 0.000 0.505 108 L N -0.770 120.648 121.223 0.324 0.000 2.083 108 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 108 L C 2.209 179.177 176.870 0.163 0.000 1.083 108 L CA 1.469 56.428 54.840 0.199 0.000 0.752 108 L CB -1.144 40.970 42.059 0.093 0.000 0.899 108 L HN 0.127 nan 8.230 nan 0.000 0.433 109 F N 0.194 120.153 119.950 0.015 0.000 2.134 109 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 109 F C 2.428 178.086 175.800 -0.236 0.000 1.097 109 F CA 1.941 59.680 58.000 -0.435 0.000 1.264 109 F CB -0.334 38.460 39.000 -0.344 0.000 1.001 109 F HN 0.243 nan 8.300 nan 0.000 0.479 110 Q N 0.007 119.757 119.800 -0.083 0.000 2.083 110 Q HA -0.128 4.212 4.340 -0.000 0.000 0.198 110 Q C 2.367 178.274 176.000 -0.156 0.000 0.969 110 Q CA 1.615 57.330 55.803 -0.146 0.000 0.838 110 Q CB -0.286 28.462 28.738 0.016 0.000 0.900 110 Q HN 0.445 nan 8.270 nan 0.000 0.436 111 L N 0.411 121.573 121.223 -0.103 0.000 2.042 111 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 111 L C 2.261 179.032 176.870 -0.164 0.000 1.076 111 L CA 1.031 55.799 54.840 -0.121 0.000 0.749 111 L CB -0.394 41.613 42.059 -0.085 0.000 0.893 111 L HN 0.259 nan 8.230 nan 0.000 0.432 112 L N -0.956 120.152 121.223 -0.191 0.000 2.141 112 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 112 L C 2.685 179.400 176.870 -0.257 0.000 1.094 112 L CA 1.081 55.799 54.840 -0.204 0.000 0.763 112 L CB -0.416 41.521 42.059 -0.203 0.000 0.908 112 L HN 0.343 nan 8.230 nan 0.000 0.437 113 Q N -0.356 119.239 119.800 -0.341 0.000 2.046 113 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 113 Q C 2.342 178.129 176.000 -0.356 0.000 0.975 113 Q CA 1.489 57.110 55.803 -0.303 0.000 0.836 113 Q CB -0.397 28.173 28.738 -0.281 0.000 0.896 113 Q HN 0.595 nan 8.270 nan 0.000 0.428 114 G N 0.989 109.596 108.800 -0.322 0.000 2.402 114 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 114 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 114 G C 1.378 176.139 174.900 -0.232 0.000 1.162 114 G CA 0.487 45.361 45.100 -0.377 0.000 0.777 114 G HN 0.200 nan 8.290 nan 0.000 0.539 115 L N 1.391 122.482 121.223 -0.220 0.000 2.046 115 L HA 0.166 4.506 4.340 -0.000 0.000 0.208 115 L C 3.094 179.757 176.870 -0.345 0.000 1.077 115 L CA 2.023 56.683 54.840 -0.299 0.000 0.747 115 L CB -0.750 41.122 42.059 -0.311 0.000 0.896 115 L HN 0.239 nan 8.230 nan 0.000 0.432 116 A N -1.128 121.569 122.820 -0.204 0.000 1.908 116 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 116 A C 2.288 179.863 177.584 -0.015 0.000 1.181 116 A CA 1.957 53.948 52.037 -0.076 0.000 0.627 116 A CB -1.180 17.794 19.000 -0.044 0.000 0.818 116 A HN 0.510 nan 8.150 nan 0.000 0.445 117 F N 0.224 120.036 119.950 -0.230 0.000 2.134 117 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 117 F C 2.557 178.296 175.800 -0.101 0.000 1.097 117 F CA 1.565 59.433 58.000 -0.220 0.000 1.264 117 F CB -0.559 38.121 39.000 -0.533 0.000 1.001 117 F HN 0.320 nan 8.300 nan 0.000 0.479 118 C N -0.046 119.279 119.300 0.042 0.000 2.413 118 C HA -0.243 4.217 4.460 -0.000 0.000 0.278 118 C C 2.704 177.842 174.990 0.247 0.000 1.224 118 C CA 1.733 60.835 59.018 0.139 0.000 1.732 118 C CB -1.665 26.183 27.740 0.181 0.000 2.050 118 C HN 0.540 nan 8.230 nan 0.000 0.463 119 H N 0.629 119.804 119.070 0.175 0.000 2.387 119 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 119 H C 2.366 177.797 175.328 0.172 0.000 1.099 119 H CA 1.535 57.740 56.048 0.261 0.000 1.315 119 H CB -0.142 29.740 29.762 0.200 0.000 1.380 119 H HN 0.599 nan 8.280 nan 0.000 0.513 120 S N 0.172 115.990 115.700 0.197 0.000 2.603 120 S HA -0.098 4.372 4.470 -0.000 0.000 0.229 120 S C 0.727 175.282 174.600 -0.074 0.000 0.972 120 S CA 0.679 58.916 58.200 0.061 0.000 0.935 120 S CB -0.101 63.117 63.200 0.030 0.000 0.769 120 S HN 0.456 nan 8.310 nan 0.000 0.536 121 H N 1.574 120.523 119.070 -0.201 0.000 2.475 121 H HA 0.373 4.929 4.556 -0.000 0.000 0.276 121 H C 0.380 175.584 175.328 -0.208 0.000 1.126 121 H CA -0.174 55.730 56.048 -0.239 0.000 1.023 121 H CB 0.142 29.719 29.762 -0.309 0.000 1.669 121 H HN 0.493 nan 8.280 nan 0.000 0.573 122 R N -1.470 118.881 120.500 -0.248 0.000 3.405 122 R HA -0.150 4.190 4.340 -0.000 0.000 0.258 122 R C -1.547 174.549 176.300 -0.340 0.000 1.030 122 R CA 0.582 56.186 56.100 -0.826 0.000 0.691 122 R CB -3.219 26.559 30.300 -0.869 0.000 1.093 122 R HN 0.100 nan 8.270 nan 0.000 0.448 123 V N 1.066 121.138 119.914 0.263 0.000 2.540 123 V HA 0.505 4.625 4.120 -0.000 0.000 0.302 123 V C 0.408 176.859 176.094 0.594 0.000 1.035 123 V CA -0.860 61.687 62.300 0.412 0.000 0.873 123 V CB 1.903 33.917 31.823 0.318 0.000 0.992 123 V HN 0.310 nan 8.190 nan 0.000 0.428 124 L N 3.965 125.448 121.223 0.435 0.000 2.307 124 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 124 L C 1.282 178.217 176.870 0.109 0.000 1.023 124 L CA -0.639 54.343 54.840 0.237 0.000 0.810 124 L CB 1.439 43.500 42.059 0.003 0.000 1.231 124 L HN 0.765 nan 8.230 nan 0.000 0.423 125 H N 4.414 123.486 119.070 0.002 0.000 2.307 125 H HA 0.004 4.560 4.556 -0.000 0.000 0.303 125 H C 0.853 176.049 175.328 -0.219 0.000 1.073 125 H CA 1.665 57.574 56.048 -0.232 0.000 1.338 125 H CB 0.552 30.114 29.762 -0.333 0.000 1.389 125 H HN 0.615 nan 8.280 nan 0.000 0.503 126 R N -0.556 119.945 120.500 0.002 0.000 3.922 126 R HA -0.193 4.147 4.340 -0.000 0.000 0.447 126 R C -0.457 175.837 176.300 -0.010 0.000 1.035 126 R CA 1.275 57.318 56.100 -0.095 0.000 1.289 126 R CB -1.548 28.548 30.300 -0.340 0.000 1.906 126 R HN 0.371 nan 8.270 nan 0.000 0.540 127 D N 0.278 120.794 120.400 0.193 0.000 2.940 127 D HA 0.228 4.868 4.640 -0.000 0.000 0.366 127 D C -0.675 175.687 176.300 0.103 0.000 1.446 127 D CA -0.192 53.885 54.000 0.127 0.000 0.780 127 D CB 0.346 41.155 40.800 0.016 0.000 1.206 127 D HN 0.095 nan 8.370 nan 0.000 0.454 128 L N 2.221 123.417 121.223 -0.044 0.000 2.385 128 L HA 0.281 4.621 4.340 -0.000 0.000 0.281 128 L C 0.444 177.120 176.870 -0.323 0.000 1.106 128 L CA 0.325 54.968 54.840 -0.329 0.000 0.856 128 L CB 0.079 41.949 42.059 -0.316 0.000 1.186 128 L HN 0.103 nan 8.230 nan 0.000 0.453 129 K N 2.446 122.616 120.400 -0.383 0.000 2.536 129 K HA 0.508 4.828 4.320 -0.000 0.000 0.269 129 K C -2.725 173.650 176.600 -0.374 0.000 0.965 129 K CA -1.793 54.136 56.287 -0.597 0.000 0.860 129 K CB 1.685 33.934 32.500 -0.417 0.000 1.423 129 K HN -0.146 nan 8.250 nan 0.000 0.438 130 P HA -0.336 nan 4.420 nan 0.000 0.219 130 P C 0.989 178.224 177.300 -0.110 0.000 1.158 130 P CA 1.992 65.004 63.100 -0.147 0.000 0.895 130 P CB 0.031 31.708 31.700 -0.038 0.000 0.792 131 Q N -1.963 117.782 119.800 -0.091 0.000 2.488 131 Q HA -0.050 4.290 4.340 -0.000 0.000 0.211 131 Q C 0.800 176.742 176.000 -0.097 0.000 0.967 131 Q CA 0.945 56.705 55.803 -0.071 0.000 0.926 131 Q CB -0.660 28.053 28.738 -0.042 0.000 0.992 131 Q HN 0.236 nan 8.270 nan 0.000 0.506 132 N N 0.406 119.029 118.700 -0.129 0.000 2.230 132 N HA 0.247 4.987 4.740 -0.000 0.000 0.202 132 N C -0.813 174.597 175.510 -0.168 0.000 1.119 132 N CA 0.173 53.144 53.050 -0.132 0.000 0.851 132 N CB 0.695 39.116 38.487 -0.110 0.000 0.990 132 N HN 0.232 nan 8.380 nan 0.000 0.497 133 L N 1.407 122.524 121.223 -0.177 0.000 2.305 133 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 133 L C -0.392 176.360 176.870 -0.196 0.000 1.013 133 L CA -0.533 54.190 54.840 -0.196 0.000 0.819 133 L CB 1.683 43.615 42.059 -0.212 0.000 1.227 133 L HN -0.241 nan 8.230 nan 0.000 0.417 134 L N 5.242 126.344 121.223 -0.202 0.000 2.322 134 L HA 0.664 5.004 4.340 -0.000 0.000 0.279 134 L C -0.174 176.548 176.870 -0.245 0.000 1.036 134 L CA -0.730 53.982 54.840 -0.215 0.000 0.807 134 L CB 1.831 43.761 42.059 -0.216 0.000 1.226 134 L HN 0.567 nan 8.230 nan 0.000 0.433 135 I N -0.381 120.046 120.570 -0.238 0.000 2.828 135 I HA 0.622 4.792 4.170 -0.000 0.000 0.302 135 I C -1.050 175.016 176.117 -0.085 0.000 1.101 135 I CA -0.767 60.391 61.300 -0.236 0.000 1.031 135 I CB 2.237 40.010 38.000 -0.379 0.000 1.231 135 I HN 0.606 nan 8.210 nan 0.000 0.427 136 N N 1.015 119.713 118.700 -0.003 0.000 2.815 136 N HA 0.368 5.108 4.740 -0.000 0.000 0.315 136 N C 0.605 176.114 175.510 -0.002 0.000 1.320 136 N CA -0.130 53.042 53.050 0.204 0.000 0.846 136 N CB 0.516 39.136 38.487 0.223 0.000 1.344 136 N HN 0.742 nan 8.380 nan 0.000 0.593 137 T N -3.937 110.531 114.554 -0.143 0.000 3.085 137 T HA 0.049 4.399 4.350 -0.000 0.000 0.263 137 T C 0.619 175.293 174.700 -0.044 0.000 1.127 137 T CA 0.881 62.877 62.100 -0.173 0.000 1.103 137 T CB -0.248 68.458 68.868 -0.271 0.000 0.921 137 T HN 0.429 nan 8.240 nan 0.000 0.510 138 E N 1.157 121.363 120.200 0.009 0.000 2.481 138 E HA 0.336 4.686 4.350 -0.000 0.000 0.195 138 E C 1.569 178.190 176.600 0.036 0.000 1.047 138 E CA 0.589 57.004 56.400 0.025 0.000 0.867 138 E CB -0.380 29.343 29.700 0.039 0.000 0.858 138 E HN 0.685 nan 8.360 nan 0.000 0.513 139 G N -0.606 108.226 108.800 0.053 0.000 2.134 139 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.209 139 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.209 139 G C 0.289 175.305 174.900 0.195 0.000 0.993 139 G CA -0.020 45.148 45.100 0.114 0.000 0.669 139 G HN 0.486 nan 8.290 nan 0.000 0.519 140 A N -0.366 122.519 122.820 0.108 0.000 2.295 140 A HA 0.899 5.219 4.320 -0.000 0.000 0.318 140 A C -0.097 177.461 177.584 -0.043 0.000 1.134 140 A CA -0.209 51.864 52.037 0.060 0.000 0.827 140 A CB 1.258 20.267 19.000 0.015 0.000 1.136 140 A HN 1.432 nan 8.150 nan 0.000 0.493 141 I N 0.456 120.962 120.570 -0.106 0.000 2.619 141 I HA 0.547 4.717 4.170 -0.000 0.000 0.292 141 I C -1.118 174.903 176.117 -0.160 0.000 1.100 141 I CA -0.578 60.561 61.300 -0.269 0.000 1.043 141 I CB 1.855 39.517 38.000 -0.564 0.000 1.239 141 I HN 0.722 nan 8.210 nan 0.000 0.420 142 K N 7.253 127.558 120.400 -0.157 0.000 2.426 142 K HA 0.558 4.878 4.320 -0.000 0.000 0.251 142 K C -1.379 175.174 176.600 -0.078 0.000 0.941 142 K CA -0.812 55.422 56.287 -0.089 0.000 0.808 142 K CB 2.512 34.975 32.500 -0.062 0.000 1.265 142 K HN 0.488 nan 8.250 nan 0.000 0.432 143 L N 1.967 123.184 121.223 -0.009 0.000 2.426 143 L HA 0.486 4.826 4.340 -0.000 0.000 0.271 143 L C 0.217 177.213 176.870 0.211 0.000 1.169 143 L CA -0.123 54.733 54.840 0.026 0.000 0.836 143 L CB 0.671 42.793 42.059 0.106 0.000 1.112 143 L HN 0.788 nan 8.230 nan 0.000 0.465 144 A N 1.614 124.521 122.820 0.145 0.000 2.552 144 A HA 0.527 4.847 4.320 -0.000 0.000 0.288 144 A C -0.696 177.010 177.584 0.204 0.000 1.193 144 A CA -0.425 51.729 52.037 0.195 0.000 0.713 144 A CB 1.328 20.286 19.000 -0.070 0.000 1.305 144 A HN 0.755 nan 8.150 nan 0.000 0.424 145 D N -1.245 119.228 120.400 0.122 0.000 3.357 145 D HA -0.137 4.503 4.640 -0.000 0.000 0.238 145 D C -0.892 175.397 176.300 -0.018 0.000 1.126 145 D CA 0.601 54.611 54.000 0.017 0.000 0.984 145 D CB -0.844 39.911 40.800 -0.076 0.000 0.925 145 D HN 0.424 nan 8.370 nan 0.000 0.414 146 F N 0.215 120.098 119.950 -0.111 0.000 2.713 146 F HA 0.314 4.841 4.527 -0.000 0.000 0.294 146 F C 2.201 177.912 175.800 -0.148 0.000 1.152 146 F CA 0.239 58.120 58.000 -0.199 0.000 1.385 146 F CB 0.435 39.387 39.000 -0.080 0.000 0.981 146 F HN 0.318 nan 8.300 nan 0.000 0.514 147 G N -0.052 108.737 108.800 -0.017 0.000 2.432 147 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 147 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 147 G C 1.401 176.280 174.900 -0.035 0.000 1.135 147 G CA 0.554 45.650 45.100 -0.007 0.000 0.767 147 G HN 0.413 nan 8.290 nan 0.000 0.550 148 L N 0.571 121.716 121.223 -0.129 0.000 2.728 148 L HA 0.423 4.763 4.340 -0.000 0.000 0.238 148 L C 1.402 178.157 176.870 -0.191 0.000 1.143 148 L CA -0.583 54.169 54.840 -0.147 0.000 0.937 148 L CB 0.239 42.182 42.059 -0.193 0.000 1.225 148 L HN 0.176 nan 8.230 nan 0.000 0.507 149 A N 0.959 123.674 122.820 -0.176 0.000 2.425 149 A HA 0.555 4.875 4.320 -0.000 0.000 0.242 149 A C 0.064 177.655 177.584 0.012 0.000 1.077 149 A CA 0.091 52.060 52.037 -0.114 0.000 0.781 149 A CB 0.330 19.358 19.000 0.047 0.000 1.020 149 A HN 0.210 nan 8.150 nan 0.000 0.494 150 R N 0.055 120.589 120.500 0.056 0.000 2.651 150 R HA 0.581 4.921 4.340 -0.000 0.000 0.278 150 R C -0.610 175.809 176.300 0.198 0.000 1.010 150 R CA -0.372 55.795 56.100 0.111 0.000 0.896 150 R CB 1.917 32.269 30.300 0.087 0.000 1.211 150 R HN 0.900 nan 8.270 nan 0.000 0.456 151 A N 2.593 125.512 122.820 0.164 0.000 2.363 151 A HA 0.475 4.795 4.320 -0.000 0.000 0.270 151 A C 0.016 177.720 177.584 0.200 0.000 1.121 151 A CA -0.327 51.791 52.037 0.135 0.000 0.800 151 A CB -0.213 18.817 19.000 0.051 0.000 1.052 151 A HN 0.646 nan 8.150 nan 0.000 0.493 152 F N 1.080 121.052 119.950 0.037 0.000 2.879 152 F HA 0.490 5.017 4.527 -0.000 0.000 0.354 152 F C 1.047 176.846 175.800 -0.001 0.000 1.291 152 F CA -0.607 57.407 58.000 0.022 0.000 1.238 152 F CB -0.202 38.811 39.000 0.021 0.000 1.005 152 F HN 0.463 nan 8.300 nan 0.000 0.508 153 G N 0.399 109.124 108.800 -0.125 0.000 2.470 153 G HA2 0.067 4.027 3.960 -0.000 0.000 0.220 153 G HA3 0.067 4.027 3.960 -0.000 0.000 0.220 153 G C 0.200 175.082 174.900 -0.029 0.000 1.121 153 G CA 0.790 45.812 45.100 -0.131 0.000 0.766 153 G HN 0.297 nan 8.290 nan 0.000 0.553 154 V N 2.172 122.102 119.914 0.027 0.000 2.531 154 V HA 0.331 4.451 4.120 -0.000 0.000 0.301 154 V C -2.078 174.055 176.094 0.065 0.000 1.034 154 V CA -1.830 60.487 62.300 0.028 0.000 0.865 154 V CB 2.523 34.362 31.823 0.028 0.000 0.995 154 V HN 0.037 nan 8.190 nan 0.000 0.424 155 P HA -0.047 nan 4.420 nan 0.000 0.261 155 P C -0.400 176.945 177.300 0.074 0.000 1.165 155 P CA 0.364 63.402 63.100 -0.103 0.000 0.759 155 P CB 0.394 31.732 31.700 -0.604 0.000 0.772 156 V N 5.749 125.799 119.914 0.226 0.000 2.408 156 V HA 0.141 4.261 4.120 -0.000 0.000 0.267 156 V C 1.371 177.803 176.094 0.564 0.000 1.047 156 V CA -0.292 62.228 62.300 0.367 0.000 0.937 156 V CB -0.076 31.947 31.823 0.334 0.000 0.999 156 V HN 0.459 nan 8.190 nan 0.000 0.472 157 R N 2.836 123.626 120.500 0.484 0.000 2.590 157 R HA 0.273 4.613 4.340 -0.000 0.000 0.274 157 R C 0.604 177.120 176.300 0.359 0.000 1.061 157 R CA -0.174 56.130 56.100 0.339 0.000 1.081 157 R CB 0.502 30.912 30.300 0.183 0.000 0.984 157 R HN 0.841 nan 8.270 nan 0.000 0.448 158 T N 0.110 114.714 114.554 0.082 0.000 2.884 158 T HA 0.116 4.466 4.350 -0.000 0.000 0.298 158 T C -0.057 174.794 174.700 0.252 0.000 0.998 158 T CA -0.582 61.530 62.100 0.021 0.000 1.124 158 T CB 0.344 69.002 68.868 -0.350 0.000 0.931 158 T HN 0.218 nan 8.240 nan 0.000 0.531 159 Y N 2.425 122.808 120.300 0.138 0.000 2.526 159 Y HA 0.146 4.696 4.550 -0.000 0.000 0.330 159 Y C 2.224 178.124 175.900 0.000 0.000 1.156 159 Y CA -0.536 57.625 58.100 0.103 0.000 1.419 159 Y CB -0.275 38.287 38.460 0.170 0.000 1.250 159 Y HN 0.827 nan 8.280 nan 0.000 0.540 160 T N 1.745 116.307 114.554 0.015 0.000 2.699 160 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 160 T C 0.347 174.930 174.700 -0.194 0.000 1.036 160 T CA 1.517 63.522 62.100 -0.158 0.000 1.147 160 T CB -0.276 68.411 68.868 -0.301 0.000 0.862 160 T HN 0.481 nan 8.240 nan 0.000 0.446 161 H N 2.087 121.235 119.070 0.129 0.000 2.700 161 H HA 0.428 4.984 4.556 -0.000 0.000 0.269 161 H C 0.012 175.452 175.328 0.187 0.000 1.222 161 H CA -0.675 55.447 56.048 0.124 0.000 1.254 161 H CB -0.098 29.725 29.762 0.102 0.000 1.413 161 H HN 0.401 nan 8.280 nan 0.000 0.507 162 E N 0.817 121.155 120.200 0.230 0.000 2.598 162 E HA -0.086 4.264 4.350 -0.000 0.000 0.273 162 E C 0.877 177.551 176.600 0.124 0.000 1.029 162 E CA 0.363 56.870 56.400 0.179 0.000 0.985 162 E CB 1.228 30.995 29.700 0.113 0.000 0.988 162 E HN 0.288 nan 8.360 nan 0.000 0.460 163 V N 2.886 122.813 119.914 0.021 0.000 3.484 163 V HA 0.049 4.169 4.120 -0.000 0.000 0.252 163 V C 0.014 176.093 176.094 -0.026 0.000 1.282 163 V CA 0.101 62.369 62.300 -0.053 0.000 1.104 163 V CB 0.931 32.593 31.823 -0.269 0.000 0.868 163 V HN 0.426 nan 8.190 nan 0.000 0.457 164 V N 2.741 122.661 119.914 0.009 0.000 2.557 164 V HA 0.060 4.180 4.120 -0.000 0.000 0.301 164 V C 0.856 177.007 176.094 0.095 0.000 1.026 164 V CA 0.532 62.869 62.300 0.061 0.000 1.137 164 V CB 0.148 32.045 31.823 0.123 0.000 0.917 164 V HN 0.542 nan 8.190 nan 0.000 0.484 165 T N 6.652 121.275 114.554 0.115 0.000 2.891 165 T HA -0.027 4.323 4.350 -0.000 0.000 0.296 165 T C 1.116 175.907 174.700 0.151 0.000 1.025 165 T CA -0.187 61.983 62.100 0.118 0.000 1.149 165 T CB 0.334 69.311 68.868 0.182 0.000 1.007 165 T HN 0.568 nan 8.240 nan 0.000 0.528 166 L N 3.569 124.838 121.223 0.077 0.000 1.991 166 L HA -0.136 4.204 4.340 -0.000 0.000 0.221 166 L C 1.947 178.953 176.870 0.227 0.000 1.079 166 L CA 2.046 56.960 54.840 0.122 0.000 0.778 166 L CB -0.828 41.293 42.059 0.102 0.000 0.893 166 L HN 0.789 nan 8.230 nan 0.000 0.437 167 W N -1.193 120.035 121.300 -0.121 0.000 2.341 167 W HA -0.200 4.460 4.660 -0.000 0.000 0.283 167 W C 1.987 178.275 176.519 -0.384 0.000 1.215 167 W CA 0.893 58.041 57.345 -0.327 0.000 1.211 167 W CB -1.120 27.957 29.460 -0.639 0.000 1.131 167 W HN 0.298 nan 8.180 nan 0.000 0.552 168 Y N -1.036 119.507 120.300 0.405 0.000 2.584 168 Y HA 0.281 4.831 4.550 -0.000 0.000 0.254 168 Y C 1.137 177.273 175.900 0.392 0.000 1.177 168 Y CA -0.835 57.494 58.100 0.382 0.000 1.216 168 Y CB -0.506 38.108 38.460 0.257 0.000 1.172 168 Y HN -0.322 nan 8.280 nan 0.000 0.529 169 R N 1.813 122.522 120.500 0.350 0.000 2.347 169 R HA 0.550 4.890 4.340 -0.000 0.000 0.304 169 R C 0.172 176.430 176.300 -0.071 0.000 1.072 169 R CA -0.225 55.978 56.100 0.173 0.000 0.980 169 R CB 0.462 30.821 30.300 0.098 0.000 0.986 169 R HN 0.249 nan 8.270 nan 0.000 0.448 170 A N 6.468 129.111 122.820 -0.295 0.000 2.445 170 A HA 0.203 4.523 4.320 -0.000 0.000 0.242 170 A C -1.511 175.666 177.584 -0.678 0.000 1.075 170 A CA -1.267 50.181 52.037 -0.982 0.000 0.777 170 A CB 0.189 18.880 19.000 -0.516 0.000 1.013 170 A HN 0.730 nan 8.150 nan 0.000 0.493 171 P HA -0.195 nan 4.420 nan 0.000 0.216 171 P C 0.632 177.957 177.300 0.042 0.000 1.150 171 P CA 1.627 64.554 63.100 -0.289 0.000 0.837 171 P CB 0.113 31.740 31.700 -0.122 0.000 0.786 172 E N 0.272 120.507 120.200 0.059 0.000 2.085 172 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 172 E C 2.243 178.889 176.600 0.076 0.000 0.994 172 E CA 1.105 57.656 56.400 0.252 0.000 0.801 172 E CB -1.110 28.679 29.700 0.148 0.000 0.743 172 E HN 0.322 nan 8.360 nan 0.000 0.453 173 I N 0.396 120.943 120.570 -0.039 0.000 2.202 173 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 173 I C 2.160 178.253 176.117 -0.041 0.000 1.091 173 I CA 0.966 62.221 61.300 -0.075 0.000 1.368 173 I CB -0.275 37.687 38.000 -0.064 0.000 1.058 173 I HN 0.079 nan 8.210 nan 0.000 0.410 174 L N 0.247 121.444 121.223 -0.042 0.000 2.131 174 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 174 L C 2.155 179.034 176.870 0.015 0.000 1.092 174 L CA 1.174 55.991 54.840 -0.038 0.000 0.759 174 L CB -0.380 41.619 42.059 -0.100 0.000 0.903 174 L HN 0.285 nan 8.230 nan 0.000 0.435 175 L N -0.148 121.119 121.223 0.072 0.000 2.627 175 L HA 0.141 4.481 4.340 -0.000 0.000 0.233 175 L C 1.146 178.051 176.870 0.059 0.000 1.144 175 L CA 0.310 55.223 54.840 0.120 0.000 0.892 175 L CB -0.515 41.646 42.059 0.170 0.000 1.039 175 L HN 0.466 nan 8.230 nan 0.000 0.442 176 G N 0.703 109.511 108.800 0.013 0.000 2.212 176 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.255 176 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.255 176 G C 0.418 175.284 174.900 -0.057 0.000 1.062 176 G CA 0.022 45.103 45.100 -0.030 0.000 0.815 176 G HN 0.491 nan 8.290 nan 0.000 0.497 177 C N -1.240 118.029 119.300 -0.052 0.000 2.727 177 C HA 0.599 5.059 4.460 -0.000 0.000 0.401 177 C C 2.023 176.915 174.990 -0.163 0.000 1.294 177 C CA 0.282 59.263 59.018 -0.062 0.000 2.134 177 C CB 1.096 28.834 27.740 -0.003 0.000 2.724 177 C HN 0.622 nan 8.230 nan 0.000 0.677 178 K N 0.289 120.564 120.400 -0.208 0.000 2.103 178 K HA 0.035 4.355 4.320 -0.000 0.000 0.204 178 K C -0.255 175.994 176.600 -0.584 0.000 1.052 178 K CA 1.120 57.144 56.287 -0.439 0.000 0.945 178 K CB 0.016 32.167 32.500 -0.582 0.000 0.722 178 K HN 0.801 nan 8.250 nan 0.000 0.443 179 Y N -1.320 118.940 120.300 -0.066 0.000 2.536 179 Y HA 0.291 4.841 4.550 -0.000 0.000 0.347 179 Y C -0.373 175.466 175.900 -0.103 0.000 1.000 179 Y CA -1.336 56.737 58.100 -0.045 0.000 1.051 179 Y CB 0.842 39.318 38.460 0.027 0.000 1.259 179 Y HN -0.142 nan 8.280 nan 0.000 0.468 180 Y N 0.603 121.012 120.300 0.182 0.000 2.289 180 Y HA 0.511 5.061 4.550 -0.000 0.000 0.332 180 Y C 0.715 176.597 175.900 -0.030 0.000 1.324 180 Y CA 0.252 58.382 58.100 0.050 0.000 1.478 180 Y CB 1.301 39.769 38.460 0.014 0.000 1.378 180 Y HN 0.601 nan 8.280 nan 0.000 0.558 181 S N -2.364 113.371 115.700 0.058 0.000 2.643 181 S HA 0.188 4.658 4.470 -0.000 0.000 0.270 181 S C 0.418 174.862 174.600 -0.260 0.000 1.166 181 S CA -0.232 57.876 58.200 -0.153 0.000 0.815 181 S CB 0.758 63.915 63.200 -0.071 0.000 1.139 181 S HN 0.730 nan 8.310 nan 0.000 0.472 182 T N -1.045 113.236 114.554 -0.454 0.000 2.897 182 T HA -0.017 4.333 4.350 -0.000 0.000 0.271 182 T C 2.016 176.619 174.700 -0.161 0.000 1.084 182 T CA 1.436 63.177 62.100 -0.597 0.000 1.123 182 T CB -1.023 67.345 68.868 -0.833 0.000 0.865 182 T HN 1.172 nan 8.240 nan 0.000 0.496 183 A N 1.958 124.741 122.820 -0.062 0.000 1.978 183 A HA 0.020 4.340 4.320 -0.000 0.000 0.220 183 A C 2.716 180.385 177.584 0.140 0.000 1.170 183 A CA 1.853 53.923 52.037 0.056 0.000 0.636 183 A CB -1.159 17.858 19.000 0.028 0.000 0.810 183 A HN 0.871 nan 8.150 nan 0.000 0.448 184 V N -2.211 117.774 119.914 0.118 0.000 2.626 184 V HA -0.185 3.935 4.120 -0.000 0.000 0.252 184 V C 1.670 177.907 176.094 0.238 0.000 1.067 184 V CA 2.423 64.831 62.300 0.181 0.000 1.081 184 V CB -0.732 31.206 31.823 0.191 0.000 0.686 184 V HN 0.382 nan 8.190 nan 0.000 0.468 185 D N 0.480 121.003 120.400 0.206 0.000 2.123 185 D HA -0.010 4.630 4.640 -0.000 0.000 0.200 185 D C 2.220 178.641 176.300 0.202 0.000 0.976 185 D CA 1.292 55.417 54.000 0.208 0.000 0.831 185 D CB -0.057 40.914 40.800 0.285 0.000 0.974 185 D HN 0.399 nan 8.370 nan 0.000 0.469 186 I N 0.646 121.355 120.570 0.231 0.000 2.226 186 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 186 I C 2.353 178.594 176.117 0.207 0.000 1.100 186 I CA 0.755 62.169 61.300 0.188 0.000 1.374 186 I CB -0.929 37.181 38.000 0.182 0.000 1.057 186 I HN 0.292 nan 8.210 nan 0.000 0.413 187 W N 2.005 123.364 121.300 0.098 0.000 2.335 187 W HA -0.238 4.422 4.660 -0.000 0.000 0.311 187 W C 2.548 179.161 176.519 0.157 0.000 1.213 187 W CA 1.873 59.287 57.345 0.115 0.000 1.274 187 W CB -0.386 29.133 29.460 0.099 0.000 1.148 187 W HN 0.093 nan 8.180 nan 0.000 0.498 188 S N 1.297 117.230 115.700 0.389 0.000 2.370 188 S HA -0.227 4.243 4.470 -0.000 0.000 0.226 188 S C 1.731 176.404 174.600 0.122 0.000 1.033 188 S CA 1.582 59.962 58.200 0.301 0.000 1.011 188 S CB -0.784 62.547 63.200 0.220 0.000 0.852 188 S HN 0.133 nan 8.310 nan 0.000 0.457 189 L N 1.684 122.947 121.223 0.068 0.000 2.083 189 L HA -0.004 4.336 4.340 -0.000 0.000 0.209 189 L C 2.465 179.370 176.870 0.058 0.000 1.083 189 L CA 1.695 56.553 54.840 0.029 0.000 0.752 189 L CB -1.452 40.616 42.059 0.015 0.000 0.899 189 L HN 0.376 nan 8.230 nan 0.000 0.433 190 G N -1.761 107.045 108.800 0.010 0.000 2.421 190 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 190 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 190 G C 1.685 176.546 174.900 -0.066 0.000 1.171 190 G CA 1.003 46.090 45.100 -0.023 0.000 0.775 190 G HN 0.482 nan 8.290 nan 0.000 0.543 191 C N 0.314 119.547 119.300 -0.112 0.000 2.425 191 C HA 0.056 4.516 4.460 -0.000 0.000 0.277 191 C C 2.823 177.866 174.990 0.088 0.000 1.280 191 C CA 0.402 59.394 59.018 -0.044 0.000 1.744 191 C CB -0.929 26.925 27.740 0.190 0.000 1.989 191 C HN 0.467 nan 8.230 nan 0.000 0.491 192 I N -0.195 120.462 120.570 0.145 0.000 2.353 192 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 192 I C 2.428 178.645 176.117 0.167 0.000 1.119 192 I CA 1.181 62.560 61.300 0.132 0.000 1.417 192 I CB -0.522 37.494 38.000 0.026 0.000 1.078 192 I HN 0.243 nan 8.210 nan 0.000 0.421 193 F N 2.440 122.377 119.950 -0.023 0.000 2.046 193 F HA -0.267 4.260 4.527 -0.000 0.000 0.297 193 F C 2.511 178.272 175.800 -0.064 0.000 1.123 193 F CA 1.492 59.477 58.000 -0.025 0.000 1.199 193 F CB -0.975 37.987 39.000 -0.064 0.000 0.972 193 F HN 0.032 nan 8.300 nan 0.000 0.474 194 A N -0.044 122.617 122.820 -0.264 0.000 1.917 194 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 194 A C 2.295 179.722 177.584 -0.262 0.000 1.182 194 A CA 1.936 53.714 52.037 -0.433 0.000 0.633 194 A CB -1.202 17.526 19.000 -0.454 0.000 0.819 194 A HN 0.605 nan 8.150 nan 0.000 0.448 195 E N -0.775 119.345 120.200 -0.134 0.000 2.085 195 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 195 E C 2.086 178.666 176.600 -0.032 0.000 0.994 195 E CA 1.533 57.892 56.400 -0.069 0.000 0.801 195 E CB -0.194 29.536 29.700 0.050 0.000 0.743 195 E HN 0.685 nan 8.360 nan 0.000 0.453 196 M N -0.182 119.436 119.600 0.031 0.000 2.159 196 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 196 M C 2.297 178.603 176.300 0.009 0.000 1.063 196 M CA 0.968 56.312 55.300 0.073 0.000 1.110 196 M CB 0.007 32.725 32.600 0.197 0.000 1.374 196 M HN 0.085 nan 8.290 nan 0.000 0.411 197 V N 0.113 119.987 119.914 -0.066 0.000 2.358 197 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 197 V C 2.514 178.531 176.094 -0.129 0.000 1.047 197 V CA 2.319 64.546 62.300 -0.122 0.000 1.035 197 V CB -1.083 30.564 31.823 -0.294 0.000 0.658 197 V HN 0.638 nan 8.190 nan 0.000 0.452 198 T N -3.457 111.001 114.554 -0.161 0.000 3.037 198 T HA 0.083 4.433 4.350 -0.000 0.000 0.251 198 T C 1.128 175.757 174.700 -0.118 0.000 1.079 198 T CA 0.324 62.332 62.100 -0.153 0.000 1.067 198 T CB 0.013 68.758 68.868 -0.205 0.000 0.948 198 T HN 0.485 nan 8.240 nan 0.000 0.496 199 R N 0.341 120.784 120.500 -0.096 0.000 3.919 199 R HA -0.136 4.204 4.340 -0.000 0.000 0.412 199 R C -0.443 175.810 176.300 -0.077 0.000 1.102 199 R CA 1.149 57.205 56.100 -0.073 0.000 1.082 199 R CB -2.025 28.232 30.300 -0.071 0.000 1.671 199 R HN 0.744 nan 8.270 nan 0.000 0.540 200 R N -0.653 119.780 120.500 -0.111 0.000 2.651 200 R HA 0.773 5.113 4.340 -0.000 0.000 0.278 200 R C -0.531 175.658 176.300 -0.186 0.000 1.010 200 R CA -0.368 55.650 56.100 -0.137 0.000 0.896 200 R CB 1.505 31.705 30.300 -0.166 0.000 1.211 200 R HN 0.077 nan 8.270 nan 0.000 0.456 201 A N 2.482 125.174 122.820 -0.213 0.000 2.531 201 A HA 0.068 4.388 4.320 -0.000 0.000 0.236 201 A C 0.803 178.119 177.584 -0.447 0.000 1.062 201 A CA -0.452 51.405 52.037 -0.300 0.000 0.760 201 A CB 0.182 18.855 19.000 -0.546 0.000 0.995 201 A HN 0.809 nan 8.150 nan 0.000 0.501 202 L N 1.800 122.722 121.223 -0.502 0.000 2.044 202 L HA 0.153 4.493 4.340 -0.000 0.000 0.205 202 L C 0.141 176.444 176.870 -0.945 0.000 1.075 202 L CA 1.876 56.231 54.840 -0.808 0.000 0.747 202 L CB -0.334 41.100 42.059 -1.041 0.000 0.903 202 L HN 0.605 nan 8.230 nan 0.000 0.435 203 F N 1.116 120.846 119.950 -0.368 0.000 2.660 203 F HA 0.393 4.920 4.527 -0.000 0.000 0.352 203 F C -2.199 173.222 175.800 -0.630 0.000 1.257 203 F CA -2.660 55.123 58.000 -0.362 0.000 1.200 203 F CB 0.323 39.229 39.000 -0.157 0.000 1.473 203 F HN 0.006 nan 8.300 nan 0.000 0.561 204 P HA 0.183 nan 4.420 nan 0.000 0.247 204 P C 0.473 177.426 177.300 -0.578 0.000 1.756 204 P CA 0.264 62.389 63.100 -1.624 0.000 1.117 204 P CB 0.696 31.437 31.700 -1.599 0.000 1.869 205 G N 2.148 110.838 108.800 -0.182 0.000 2.503 205 G HA2 0.099 4.059 3.960 -0.000 0.000 0.257 205 G HA3 0.099 4.059 3.960 -0.000 0.000 0.257 205 G C 0.467 175.501 174.900 0.223 0.000 1.214 205 G CA -0.373 44.760 45.100 0.056 0.000 0.839 205 G HN 0.244 nan 8.290 nan 0.000 0.559 206 D N -0.899 119.569 120.400 0.114 0.000 2.327 206 D HA 0.073 4.713 4.640 -0.000 0.000 0.205 206 D C 1.366 177.706 176.300 0.067 0.000 0.989 206 D CA 1.108 55.174 54.000 0.111 0.000 0.873 206 D CB 0.578 41.419 40.800 0.068 0.000 0.955 206 D HN 0.465 nan 8.370 nan 0.000 0.515 207 S N -1.068 114.651 115.700 0.032 0.000 2.688 207 S HA 0.283 4.753 4.470 -0.000 0.000 0.275 207 S C 0.692 175.269 174.600 -0.038 0.000 1.175 207 S CA -0.780 57.420 58.200 -0.001 0.000 0.818 207 S CB 2.286 65.475 63.200 -0.019 0.000 1.157 207 S HN -0.186 nan 8.310 nan 0.000 0.482 208 E N -0.121 120.048 120.200 -0.052 0.000 2.038 208 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 208 E C 1.705 178.187 176.600 -0.197 0.000 1.000 208 E CA 1.501 57.848 56.400 -0.088 0.000 0.803 208 E CB -0.308 29.356 29.700 -0.059 0.000 0.750 208 E HN 0.551 nan 8.360 nan 0.000 0.448 209 I N 1.713 122.139 120.570 -0.239 0.000 2.286 209 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 209 I C 1.877 177.649 176.117 -0.575 0.000 1.115 209 I CA 1.592 62.605 61.300 -0.478 0.000 1.392 209 I CB -0.149 37.608 38.000 -0.404 0.000 1.065 209 I HN -0.003 nan 8.210 nan 0.000 0.418 210 D N -0.705 119.529 120.400 -0.276 0.000 2.144 210 D HA -0.254 4.386 4.640 -0.000 0.000 0.200 210 D C 2.135 178.342 176.300 -0.155 0.000 0.978 210 D CA 1.125 55.036 54.000 -0.148 0.000 0.833 210 D CB -0.077 40.697 40.800 -0.043 0.000 0.961 210 D HN 0.359 nan 8.370 nan 0.000 0.470 211 Q N 0.192 119.897 119.800 -0.159 0.000 2.020 211 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 211 Q C 2.256 178.084 176.000 -0.287 0.000 0.982 211 Q CA 1.322 57.039 55.803 -0.143 0.000 0.838 211 Q CB -0.700 27.992 28.738 -0.076 0.000 0.899 211 Q HN 0.421 nan 8.270 nan 0.000 0.423 212 L N -0.592 120.382 121.223 -0.416 0.000 2.013 212 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 212 L C 2.095 178.486 176.870 -0.799 0.000 1.073 212 L CA 1.364 55.795 54.840 -0.681 0.000 0.753 212 L CB -0.368 41.222 42.059 -0.781 0.000 0.890 212 L HN 0.313 nan 8.230 nan 0.000 0.432 213 F N 0.156 119.736 119.950 -0.617 0.000 2.234 213 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 213 F C 2.721 178.225 175.800 -0.493 0.000 1.087 213 F CA 0.973 58.700 58.000 -0.456 0.000 1.340 213 F CB -0.890 38.016 39.000 -0.158 0.000 1.031 213 F HN 0.083 nan 8.300 nan 0.000 0.500 214 R N 0.012 120.402 120.500 -0.183 0.000 2.115 214 R HA -0.110 4.230 4.340 -0.000 0.000 0.230 214 R C 2.227 178.430 176.300 -0.162 0.000 1.111 214 R CA 1.255 57.258 56.100 -0.163 0.000 0.976 214 R CB -0.500 29.766 30.300 -0.057 0.000 0.870 214 R HN 0.302 nan 8.270 nan 0.000 0.445 215 I N 0.080 120.423 120.570 -0.380 0.000 2.202 215 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 215 I C 1.895 178.034 176.117 0.037 0.000 1.091 215 I CA 1.112 62.091 61.300 -0.536 0.000 1.368 215 I CB -0.310 37.333 38.000 -0.594 0.000 1.058 215 I HN -0.014 nan 8.210 nan 0.000 0.410 216 F N 1.154 121.109 119.950 0.008 0.000 2.126 216 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 216 F C 2.680 178.470 175.800 -0.016 0.000 1.096 216 F CA 1.292 59.381 58.000 0.148 0.000 1.255 216 F CB -1.218 37.949 39.000 0.278 0.000 0.997 216 F HN 0.020 nan 8.300 nan 0.000 0.479 217 R N -0.471 119.870 120.500 -0.265 0.000 2.152 217 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 217 R C 1.806 178.009 176.300 -0.162 0.000 1.117 217 R CA 1.816 57.539 56.100 -0.628 0.000 0.981 217 R CB -0.171 29.588 30.300 -0.900 0.000 0.870 217 R HN 0.233 nan 8.270 nan 0.000 0.451 218 T N -0.192 114.373 114.554 0.019 0.000 3.021 218 T HA 0.117 4.467 4.350 -0.000 0.000 0.245 218 T C 1.387 176.198 174.700 0.185 0.000 1.028 218 T CA 0.475 62.637 62.100 0.103 0.000 1.139 218 T CB 0.243 69.251 68.868 0.233 0.000 0.884 218 T HN 0.126 nan 8.240 nan 0.000 0.457 219 L N 0.638 122.026 121.223 0.275 0.000 2.607 219 L HA 0.413 4.753 4.340 -0.000 0.000 0.228 219 L C 1.069 178.189 176.870 0.417 0.000 1.123 219 L CA -0.286 54.756 54.840 0.338 0.000 0.890 219 L CB -0.202 42.006 42.059 0.248 0.000 1.103 219 L HN 0.413 nan 8.230 nan 0.000 0.468 220 G N 0.204 109.229 108.800 0.375 0.000 2.719 220 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.686 220 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.686 220 G C -0.297 174.768 174.900 0.275 0.000 1.201 220 G CA -0.861 44.431 45.100 0.320 0.000 0.768 220 G HN -0.063 nan 8.290 nan 0.000 0.629 221 T N 4.839 119.451 114.554 0.097 0.000 2.779 221 T HA 0.499 4.849 4.350 -0.000 0.000 0.296 221 T C -1.234 173.285 174.700 -0.303 0.000 0.938 221 T CA 0.055 61.960 62.100 -0.325 0.000 1.119 221 T CB 1.200 69.886 68.868 -0.302 0.000 0.891 221 T HN 0.664 nan 8.240 nan 0.000 0.526 222 P HA 0.246 nan 4.420 nan 0.000 0.271 222 P C -0.974 176.206 177.300 -0.199 0.000 1.218 222 P CA -0.363 62.498 63.100 -0.400 0.000 0.780 222 P CB 0.764 32.067 31.700 -0.663 0.000 0.901 223 D N -0.085 120.251 120.400 -0.107 0.000 2.566 223 D HA 0.178 4.818 4.640 -0.000 0.000 0.254 223 D C 0.913 177.163 176.300 -0.084 0.000 1.090 223 D CA -0.732 53.209 54.000 -0.098 0.000 1.034 223 D CB 0.329 41.098 40.800 -0.053 0.000 1.434 223 D HN 0.092 nan 8.370 nan 0.000 0.509 224 E N -0.238 119.894 120.200 -0.113 0.000 2.187 224 E HA -0.124 4.226 4.350 -0.000 0.000 0.199 224 E C 1.957 178.556 176.600 -0.002 0.000 1.004 224 E CA 0.827 57.174 56.400 -0.089 0.000 0.813 224 E CB -0.227 29.416 29.700 -0.095 0.000 0.736 224 E HN 0.400 nan 8.360 nan 0.000 0.468 225 V N 0.444 120.366 119.914 0.013 0.000 2.283 225 V HA -0.187 3.933 4.120 -0.000 0.000 0.243 225 V C 2.531 178.683 176.094 0.096 0.000 1.039 225 V CA 1.239 63.567 62.300 0.047 0.000 1.016 225 V CB -0.471 31.372 31.823 0.035 0.000 0.650 225 V HN 0.065 nan 8.190 nan 0.000 0.449 226 V N -1.860 118.117 119.914 0.105 0.000 2.358 226 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 226 V C 0.859 177.130 176.094 0.296 0.000 1.047 226 V CA 1.423 63.821 62.300 0.163 0.000 1.035 226 V CB -0.207 31.694 31.823 0.131 0.000 0.658 226 V HN 0.755 nan 8.190 nan 0.000 0.452 227 W N 1.750 123.064 121.300 0.023 0.000 2.451 227 W HA 0.468 5.128 4.660 -0.000 0.000 0.285 227 W C -3.217 173.297 176.519 -0.008 0.000 1.024 227 W CA -3.600 53.773 57.345 0.047 0.000 1.421 227 W CB 0.508 29.991 29.460 0.039 0.000 1.319 227 W HN 0.058 nan 8.180 nan 0.000 0.366 228 P HA 0.191 nan 4.420 nan 0.000 0.258 228 P C 0.888 178.171 177.300 -0.028 0.000 1.172 228 P CA 2.720 65.865 63.100 0.076 0.000 0.762 228 P CB 0.581 32.346 31.700 0.108 0.000 0.764 229 G N 1.559 110.242 108.800 -0.195 0.000 2.238 229 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 229 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 229 G C 0.998 175.568 174.900 -0.550 0.000 0.996 229 G CA 0.127 45.058 45.100 -0.281 0.000 0.632 229 G HN 0.342 nan 8.290 nan 0.000 0.503 230 V N 1.964 121.356 119.914 -0.869 0.000 2.250 230 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 230 V C 3.247 178.717 176.094 -1.039 0.000 1.060 230 V CA 3.688 65.304 62.300 -1.140 0.000 1.030 230 V CB -1.729 29.473 31.823 -1.034 0.000 0.643 230 V HN 1.077 nan 8.190 nan 0.000 0.445 231 T N -2.124 111.769 114.554 -1.102 0.000 2.946 231 T HA -0.154 4.196 4.350 -0.000 0.000 0.271 231 T C 1.629 175.993 174.700 -0.559 0.000 1.104 231 T CA 1.742 63.070 62.100 -1.286 0.000 1.114 231 T CB -0.418 68.052 68.868 -0.663 0.000 0.867 231 T HN 0.466 nan 8.240 nan 0.000 0.513 232 S N 0.667 116.124 115.700 -0.405 0.000 2.524 232 S HA 0.376 4.846 4.470 -0.000 0.000 0.216 232 S C 0.779 175.286 174.600 -0.155 0.000 0.987 232 S CA -0.215 57.858 58.200 -0.211 0.000 0.909 232 S CB -0.300 62.796 63.200 -0.172 0.000 0.781 232 S HN 0.533 nan 8.310 nan 0.000 0.521 233 M N 1.947 121.429 119.600 -0.196 0.000 2.252 233 M HA 0.115 4.595 4.480 -0.000 0.000 0.333 233 M C -1.587 174.705 176.300 -0.014 0.000 1.111 233 M CA -1.593 53.644 55.300 -0.104 0.000 1.140 233 M CB -0.244 32.275 32.600 -0.134 0.000 1.538 233 M HN -0.112 nan 8.290 nan 0.000 0.448 234 P HA -0.235 nan 4.420 nan 0.000 0.214 234 P C 0.257 177.568 177.300 0.018 0.000 1.164 234 P CA 1.546 64.639 63.100 -0.010 0.000 0.942 234 P CB 0.034 31.717 31.700 -0.028 0.000 0.791 235 D N -2.678 117.750 120.400 0.046 0.000 2.323 235 D HA -0.026 4.614 4.640 -0.000 0.000 0.239 235 D C 0.194 176.580 176.300 0.142 0.000 1.129 235 D CA 0.107 54.150 54.000 0.073 0.000 0.865 235 D CB -0.595 40.250 40.800 0.076 0.000 0.913 235 D HN 0.284 nan 8.370 nan 0.000 0.517 236 Y N 1.979 122.281 120.300 0.003 0.000 2.316 236 Y HA 0.195 4.745 4.550 -0.000 0.000 0.331 236 Y C -0.109 175.591 175.900 -0.332 0.000 1.083 236 Y CA -0.420 57.672 58.100 -0.015 0.000 1.206 236 Y CB 0.581 39.018 38.460 -0.037 0.000 1.195 236 Y HN -0.352 nan 8.280 nan 0.000 0.497 237 K N 8.474 127.903 120.400 -1.617 0.000 2.323 237 K HA 0.254 4.574 4.320 -0.000 0.000 0.259 237 K C -2.127 173.636 176.600 -1.394 0.000 0.947 237 K CA -1.952 53.555 56.287 -1.299 0.000 0.819 237 K CB 1.942 33.752 32.500 -1.150 0.000 1.109 237 K HN 0.442 nan 8.250 nan 0.000 0.429 238 P HA -0.158 nan 4.420 nan 0.000 0.225 238 P C 0.792 177.934 177.300 -0.263 0.000 1.148 238 P CA 1.056 63.988 63.100 -0.280 0.000 0.779 238 P CB 0.252 31.908 31.700 -0.074 0.000 0.780 239 S N -1.861 113.646 115.700 -0.322 0.000 2.650 239 S HA 0.033 4.503 4.470 -0.000 0.000 0.219 239 S C 0.566 175.125 174.600 -0.069 0.000 0.960 239 S CA -0.536 57.560 58.200 -0.173 0.000 0.925 239 S CB -1.102 62.019 63.200 -0.133 0.000 0.775 239 S HN -0.195 nan 8.310 nan 0.000 0.525 240 F N 3.379 123.237 119.950 -0.154 0.000 2.529 240 F HA 0.412 4.939 4.527 -0.000 0.000 0.365 240 F C -1.958 173.686 175.800 -0.260 0.000 1.102 240 F CA -2.733 55.212 58.000 -0.092 0.000 1.271 240 F CB -0.577 38.404 39.000 -0.031 0.000 1.120 240 F HN 0.058 nan 8.300 nan 0.000 0.579 241 P HA 0.032 nan 4.420 nan 0.000 0.267 241 P C -0.898 176.033 177.300 -0.614 0.000 1.200 241 P CA -0.021 62.659 63.100 -0.700 0.000 0.772 241 P CB 0.402 31.205 31.700 -1.494 0.000 0.855 242 K N 2.710 122.804 120.400 -0.510 0.000 2.296 242 K HA 0.208 4.528 4.320 -0.000 0.000 0.257 242 K C -0.409 176.044 176.600 -0.246 0.000 1.088 242 K CA -0.349 55.766 56.287 -0.287 0.000 0.980 242 K CB 0.578 32.977 32.500 -0.167 0.000 1.430 242 K HN 0.485 nan 8.250 nan 0.000 0.441 243 W N 0.987 122.251 121.300 -0.060 0.000 2.253 243 W HA 0.413 5.073 4.660 -0.000 0.000 0.348 243 W C 0.401 176.927 176.519 0.012 0.000 1.229 243 W CA -0.847 56.490 57.345 -0.012 0.000 1.335 243 W CB 1.174 30.649 29.460 0.026 0.000 1.165 243 W HN 0.401 nan 8.180 nan 0.000 0.631 244 A N 2.127 125.125 122.820 0.296 0.000 2.312 244 A HA 0.497 4.817 4.320 -0.000 0.000 0.328 244 A C -0.008 177.692 177.584 0.193 0.000 1.158 244 A CA -0.868 51.282 52.037 0.188 0.000 0.821 244 A CB 0.774 19.853 19.000 0.131 0.000 1.170 244 A HN 0.644 nan 8.150 nan 0.000 0.490 245 R N 1.758 122.363 120.500 0.174 0.000 2.446 245 R HA 0.046 4.386 4.340 -0.000 0.000 0.314 245 R C -0.281 176.111 176.300 0.154 0.000 1.003 245 R CA -0.123 56.089 56.100 0.186 0.000 1.018 245 R CB 0.215 30.623 30.300 0.179 0.000 0.945 245 R HN 0.741 nan 8.270 nan 0.000 0.419 246 Q N 2.187 122.071 119.800 0.141 0.000 2.474 246 Q HA -0.054 4.286 4.340 -0.000 0.000 0.256 246 Q C -0.583 175.492 176.000 0.126 0.000 1.048 246 Q CA 0.309 56.167 55.803 0.093 0.000 0.922 246 Q CB 0.494 29.250 28.738 0.030 0.000 1.288 246 Q HN 0.569 nan 8.270 nan 0.000 0.484 247 D N 0.103 120.555 120.400 0.087 0.000 2.339 247 D HA 0.024 4.664 4.640 -0.000 0.000 0.256 247 D C 0.340 176.716 176.300 0.125 0.000 1.214 247 D CA -0.026 54.041 54.000 0.111 0.000 0.877 247 D CB 0.174 41.012 40.800 0.062 0.000 1.111 247 D HN 0.298 nan 8.370 nan 0.000 0.478 248 F N 2.080 122.012 119.950 -0.029 0.000 2.192 248 F HA -0.226 4.301 4.527 -0.000 0.000 0.301 248 F C 2.653 178.409 175.800 -0.073 0.000 1.079 248 F CA 1.555 59.520 58.000 -0.058 0.000 1.303 248 F CB -0.433 38.532 39.000 -0.059 0.000 1.024 248 F HN 0.494 nan 8.300 nan 0.000 0.494 249 S N -0.897 114.862 115.700 0.098 0.000 2.442 249 S HA -0.178 4.292 4.470 -0.000 0.000 0.236 249 S C 1.730 176.303 174.600 -0.045 0.000 1.007 249 S CA 1.040 59.252 58.200 0.020 0.000 0.965 249 S CB -0.436 62.780 63.200 0.028 0.000 0.773 249 S HN 0.450 nan 8.310 nan 0.000 0.504 250 K N 0.292 120.657 120.400 -0.060 0.000 2.352 250 K HA 0.269 4.589 4.320 -0.000 0.000 0.194 250 K C 1.585 178.088 176.600 -0.161 0.000 1.038 250 K CA 0.416 56.649 56.287 -0.090 0.000 1.023 250 K CB 0.187 32.652 32.500 -0.060 0.000 0.840 250 K HN 0.242 nan 8.250 nan 0.000 0.519 251 V N 1.023 120.789 119.914 -0.247 0.000 2.446 251 V HA -0.074 4.046 4.120 -0.000 0.000 0.244 251 V C 1.119 176.983 176.094 -0.384 0.000 1.039 251 V CA 0.951 63.026 62.300 -0.376 0.000 1.045 251 V CB 0.445 31.890 31.823 -0.629 0.000 0.681 251 V HN 0.122 nan 8.190 nan 0.000 0.459 252 V N -3.351 116.351 119.914 -0.355 0.000 2.468 252 V HA 0.425 4.545 4.120 -0.000 0.000 0.256 252 V C -1.879 174.098 176.094 -0.196 0.000 0.998 252 V CA -1.473 60.641 62.300 -0.310 0.000 1.114 252 V CB 0.358 31.946 31.823 -0.392 0.000 1.378 252 V HN 0.199 nan 8.190 nan 0.000 0.573 253 P HA -0.112 nan 4.420 nan 0.000 0.218 253 P C -1.277 175.978 177.300 -0.075 0.000 1.154 253 P CA 2.188 65.229 63.100 -0.097 0.000 0.872 253 P CB -0.863 30.782 31.700 -0.091 0.000 0.790 254 P HA -0.011 nan 4.420 nan 0.000 0.233 254 P C 0.295 177.575 177.300 -0.032 0.000 1.167 254 P CA 0.689 63.756 63.100 -0.055 0.000 0.770 254 P CB -0.072 31.591 31.700 -0.061 0.000 0.837 255 L N 0.557 121.746 121.223 -0.056 0.000 2.399 255 L HA 0.191 4.531 4.340 -0.000 0.000 0.266 255 L C 1.051 177.936 176.870 0.025 0.000 1.114 255 L CA -0.767 54.066 54.840 -0.013 0.000 0.804 255 L CB 0.446 42.452 42.059 -0.088 0.000 1.146 255 L HN 0.031 nan 8.230 nan 0.000 0.451 256 D N 0.418 120.864 120.400 0.077 0.000 2.507 256 D HA 0.014 4.654 4.640 -0.000 0.000 0.280 256 D C 0.618 176.966 176.300 0.081 0.000 1.219 256 D CA -0.527 53.519 54.000 0.076 0.000 1.085 256 D CB 0.693 41.550 40.800 0.096 0.000 1.134 256 D HN 0.577 nan 8.370 nan 0.000 0.583 257 E N -0.438 119.809 120.200 0.079 0.000 2.058 257 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 257 E C 1.260 177.928 176.600 0.113 0.000 0.997 257 E CA 1.438 57.885 56.400 0.078 0.000 0.801 257 E CB 0.069 29.808 29.700 0.065 0.000 0.746 257 E HN 0.332 nan 8.360 nan 0.000 0.450 258 D N -0.524 119.980 120.400 0.173 0.000 2.084 258 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 258 D C 1.878 178.262 176.300 0.140 0.000 0.990 258 D CA 1.370 55.545 54.000 0.292 0.000 0.826 258 D CB -0.725 40.305 40.800 0.383 0.000 0.971 258 D HN 0.359 nan 8.370 nan 0.000 0.453 259 G N 0.927 109.798 108.800 0.118 0.000 2.440 259 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 259 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 259 G C 1.726 176.527 174.900 -0.165 0.000 1.154 259 G CA 0.533 45.485 45.100 -0.247 0.000 0.767 259 G HN 0.234 nan 8.290 nan 0.000 0.552 260 R N 0.132 120.616 120.500 -0.026 0.000 2.092 260 R HA -0.015 4.325 4.340 -0.000 0.000 0.231 260 R C 2.912 179.190 176.300 -0.036 0.000 1.119 260 R CA 1.223 57.356 56.100 0.055 0.000 0.970 260 R CB -0.491 29.874 30.300 0.107 0.000 0.864 260 R HN 0.417 nan 8.270 nan 0.000 0.440 261 S N 1.181 116.862 115.700 -0.032 0.000 2.348 261 S HA -0.152 4.318 4.470 -0.000 0.000 0.221 261 S C 1.941 176.490 174.600 -0.086 0.000 1.033 261 S CA 1.200 59.399 58.200 -0.002 0.000 1.010 261 S CB -0.234 63.095 63.200 0.215 0.000 0.891 261 S HN 0.218 nan 8.310 nan 0.000 0.442 262 L N 1.508 122.519 121.223 -0.352 0.000 1.989 262 L HA -0.021 4.319 4.340 -0.000 0.000 0.211 262 L C 2.283 179.064 176.870 -0.149 0.000 1.071 262 L CA 2.062 56.608 54.840 -0.489 0.000 0.749 262 L CB -1.054 40.488 42.059 -0.862 0.000 0.890 262 L HN 0.490 nan 8.230 nan 0.000 0.431 263 L N -0.551 120.651 121.223 -0.034 0.000 2.079 263 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 263 L C 2.718 179.640 176.870 0.088 0.000 1.081 263 L CA 2.228 57.133 54.840 0.107 0.000 0.752 263 L CB -0.894 41.224 42.059 0.099 0.000 0.896 263 L HN 0.631 nan 8.230 nan 0.000 0.433 264 S N -1.702 113.967 115.700 -0.052 0.000 2.402 264 S HA -0.215 4.255 4.470 -0.000 0.000 0.229 264 S C 1.849 176.406 174.600 -0.071 0.000 1.021 264 S CA 1.038 59.079 58.200 -0.265 0.000 0.974 264 S CB -0.634 62.104 63.200 -0.770 0.000 0.800 264 S HN 0.683 nan 8.310 nan 0.000 0.484 265 Q N 0.310 120.103 119.800 -0.012 0.000 2.230 265 Q HA 0.150 4.490 4.340 -0.000 0.000 0.202 265 Q C 2.124 178.183 176.000 0.098 0.000 0.963 265 Q CA 1.183 57.035 55.803 0.081 0.000 0.866 265 Q CB -0.315 28.474 28.738 0.085 0.000 0.931 265 Q HN 0.627 nan 8.270 nan 0.000 0.452 266 M N -0.185 119.449 119.600 0.057 0.000 2.492 266 M HA -0.014 4.466 4.480 -0.000 0.000 0.262 266 M C 1.181 177.501 176.300 0.032 0.000 1.090 266 M CA 0.904 56.239 55.300 0.059 0.000 1.110 266 M CB 0.372 32.992 32.600 0.033 0.000 1.407 266 M HN 0.150 nan 8.290 nan 0.000 0.470 267 L N -1.157 120.059 121.223 -0.012 0.000 2.769 267 L HA 0.160 4.500 4.340 -0.000 0.000 0.240 267 L C 0.709 177.648 176.870 0.116 0.000 1.163 267 L CA -0.392 54.365 54.840 -0.138 0.000 0.962 267 L CB -0.362 41.539 42.059 -0.262 0.000 1.258 267 L HN 0.199 nan 8.230 nan 0.000 0.513 268 H N -0.070 119.032 119.070 0.054 0.000 3.001 268 H HA -0.109 4.447 4.556 -0.000 0.000 0.334 268 H C 0.495 175.837 175.328 0.022 0.000 1.034 268 H CA 0.893 56.961 56.048 0.032 0.000 1.420 268 H CB 0.774 30.551 29.762 0.025 0.000 1.405 268 H HN 0.065 nan 8.280 nan 0.000 0.593 269 Y N 1.974 122.287 120.300 0.022 0.000 2.114 269 Y HA -0.194 4.356 4.550 -0.000 0.000 0.284 269 Y C 1.460 176.900 175.900 -0.766 0.000 1.143 269 Y CA 1.726 59.705 58.100 -0.202 0.000 1.135 269 Y CB -0.190 38.247 38.460 -0.038 0.000 0.980 269 Y HN 0.603 nan 8.280 nan 0.000 0.499 270 D N 1.537 121.764 120.400 -0.288 0.000 2.363 270 D HA -0.006 4.634 4.640 -0.000 0.000 0.263 270 D C -1.696 174.411 176.300 -0.322 0.000 1.258 270 D CA -1.782 51.834 54.000 -0.640 0.000 0.907 270 D CB 0.929 41.687 40.800 -0.071 0.000 1.107 270 D HN 0.096 nan 8.370 nan 0.000 0.495 271 P HA -0.169 nan 4.420 nan 0.000 0.217 271 P C 0.848 178.102 177.300 -0.076 0.000 1.148 271 P CA 0.828 63.846 63.100 -0.136 0.000 0.828 271 P CB 0.384 32.036 31.700 -0.080 0.000 0.783 272 N N -0.145 118.521 118.700 -0.057 0.000 2.309 272 N HA -0.098 4.642 4.740 -0.000 0.000 0.182 272 N C 1.412 176.871 175.510 -0.083 0.000 1.018 272 N CA 0.991 54.022 53.050 -0.033 0.000 0.876 272 N CB -0.082 38.413 38.487 0.014 0.000 0.972 272 N HN 0.214 nan 8.380 nan 0.000 0.434 273 K N 0.720 121.012 120.400 -0.180 0.000 2.354 273 K HA 0.094 4.414 4.320 -0.000 0.000 0.194 273 K C 0.626 176.992 176.600 -0.390 0.000 1.038 273 K CA -0.188 55.893 56.287 -0.344 0.000 1.052 273 K CB 0.428 32.574 32.500 -0.591 0.000 0.861 273 K HN 0.131 nan 8.250 nan 0.000 0.535 274 R N 1.828 122.199 120.500 -0.215 0.000 2.522 274 R HA 0.068 4.408 4.340 -0.000 0.000 0.284 274 R C 0.228 176.523 176.300 -0.009 0.000 1.032 274 R CA -0.022 56.056 56.100 -0.037 0.000 1.049 274 R CB 0.095 30.436 30.300 0.070 0.000 0.956 274 R HN 0.059 nan 8.270 nan 0.000 0.422 275 I N 3.317 123.907 120.570 0.033 0.000 2.872 275 I HA -0.106 4.064 4.170 -0.000 0.000 0.291 275 I C 0.280 176.445 176.117 0.081 0.000 1.216 275 I CA 0.639 61.974 61.300 0.058 0.000 1.424 275 I CB 0.696 38.750 38.000 0.090 0.000 1.351 275 I HN 0.849 nan 8.210 nan 0.000 0.592 276 S N 5.564 121.315 115.700 0.086 0.000 2.646 276 S HA 0.478 4.948 4.470 -0.000 0.000 0.276 276 S C 0.890 175.562 174.600 0.119 0.000 1.222 276 S CA -0.233 58.033 58.200 0.110 0.000 1.014 276 S CB 1.756 65.016 63.200 0.100 0.000 0.991 276 S HN 0.794 nan 8.310 nan 0.000 0.533 277 A N 1.732 124.631 122.820 0.132 0.000 1.940 277 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 277 A C 2.155 179.772 177.584 0.057 0.000 1.176 277 A CA 1.760 53.839 52.037 0.071 0.000 0.631 277 A CB -0.899 18.106 19.000 0.009 0.000 0.814 277 A HN 0.944 nan 8.150 nan 0.000 0.446 278 K N -0.365 120.081 120.400 0.076 0.000 1.991 278 K HA -0.148 4.172 4.320 -0.000 0.000 0.212 278 K C 2.215 178.869 176.600 0.089 0.000 1.049 278 K CA 1.407 57.735 56.287 0.069 0.000 0.932 278 K CB -0.356 32.191 32.500 0.078 0.000 0.717 278 K HN 0.375 nan 8.250 nan 0.000 0.441 279 A N 0.926 123.808 122.820 0.103 0.000 1.933 279 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 279 A C 2.302 179.996 177.584 0.184 0.000 1.175 279 A CA 1.828 53.940 52.037 0.125 0.000 0.628 279 A CB -0.751 18.313 19.000 0.108 0.000 0.814 279 A HN 0.505 nan 8.150 nan 0.000 0.444 280 A N -0.070 122.862 122.820 0.188 0.000 1.917 280 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 280 A C 2.113 179.936 177.584 0.399 0.000 1.182 280 A CA 1.609 53.812 52.037 0.277 0.000 0.633 280 A CB -0.680 18.444 19.000 0.207 0.000 0.819 280 A HN 0.493 nan 8.150 nan 0.000 0.448 281 L N -1.103 120.252 121.223 0.219 0.000 2.187 281 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 281 L C 2.796 179.873 176.870 0.345 0.000 1.100 281 L CA 0.933 55.877 54.840 0.173 0.000 0.765 281 L CB -0.327 41.733 42.059 0.000 0.000 0.904 281 L HN 0.461 nan 8.230 nan 0.000 0.437 282 A N -2.305 120.691 122.820 0.292 0.000 2.178 282 A HA -0.070 4.250 4.320 -0.000 0.000 0.211 282 A C 1.048 178.800 177.584 0.279 0.000 1.157 282 A CA -0.077 52.108 52.037 0.247 0.000 0.780 282 A CB -0.516 18.577 19.000 0.155 0.000 0.828 282 A HN 0.317 nan 8.150 nan 0.000 0.476 283 H N 1.425 120.673 119.070 0.297 0.000 3.001 283 H HA 0.026 4.582 4.556 -0.000 0.000 0.334 283 H C -1.440 174.018 175.328 0.216 0.000 1.034 283 H CA -0.738 55.453 56.048 0.237 0.000 1.420 283 H CB 1.076 30.979 29.762 0.235 0.000 1.405 283 H HN 0.112 nan 8.280 nan 0.000 0.593 284 P HA -0.205 nan 4.420 nan 0.000 0.220 284 P C 1.558 178.969 177.300 0.185 0.000 1.144 284 P CA 0.878 64.018 63.100 0.066 0.000 0.800 284 P CB -0.248 31.414 31.700 -0.063 0.000 0.772 285 F N 0.558 120.661 119.950 0.255 0.000 2.250 285 F HA -0.137 4.390 4.527 -0.000 0.000 0.301 285 F C 1.373 176.977 175.800 -0.326 0.000 1.077 285 F CA 1.330 59.257 58.000 -0.123 0.000 1.348 285 F CB -0.665 38.074 39.000 -0.435 0.000 1.040 285 F HN -0.258 nan 8.300 nan 0.000 0.509 286 F N -0.070 119.878 119.950 -0.004 0.000 2.660 286 F HA 0.155 4.682 4.527 -0.000 0.000 0.302 286 F C 2.041 177.686 175.800 -0.257 0.000 1.103 286 F CA -0.011 57.840 58.000 -0.248 0.000 1.340 286 F CB -0.925 37.999 39.000 -0.127 0.000 1.048 286 F HN -0.033 nan 8.300 nan 0.000 0.551 287 Q N 1.633 121.410 119.800 -0.037 0.000 2.133 287 Q HA -0.246 4.094 4.340 -0.000 0.000 0.208 287 Q C 0.923 176.866 176.000 -0.096 0.000 0.991 287 Q CA 2.402 58.179 55.803 -0.043 0.000 0.867 287 Q CB -0.264 28.453 28.738 -0.035 0.000 0.911 287 Q HN 0.542 nan 8.270 nan 0.000 0.417 288 D N -1.902 118.408 120.400 -0.150 0.000 2.501 288 D HA 0.117 4.757 4.640 -0.000 0.000 0.226 288 D C -0.085 176.105 176.300 -0.184 0.000 1.198 288 D CA -0.342 53.570 54.000 -0.146 0.000 0.830 288 D CB 0.026 40.749 40.800 -0.129 0.000 1.014 288 D HN 0.088 nan 8.370 nan 0.000 0.496 289 V N 1.184 120.949 119.914 -0.249 0.000 3.061 289 V HA 0.271 4.391 4.120 -0.000 0.000 0.306 289 V C 0.456 176.433 176.094 -0.196 0.000 1.118 289 V CA 1.180 63.315 62.300 -0.276 0.000 1.231 289 V CB 0.853 32.356 31.823 -0.532 0.000 0.956 289 V HN 0.674 nan 8.190 nan 0.000 0.499 290 T N 2.918 117.394 114.554 -0.130 0.000 2.696 290 T HA 0.462 4.812 4.350 -0.000 0.000 0.291 290 T C -0.663 174.018 174.700 -0.033 0.000 1.095 290 T CA -0.828 61.228 62.100 -0.073 0.000 1.026 290 T CB 1.559 70.389 68.868 -0.063 0.000 1.390 290 T HN 0.665 nan 8.240 nan 0.000 0.513 291 K N 1.722 122.114 120.400 -0.013 0.000 2.682 291 K HA 0.447 4.767 4.320 -0.000 0.000 0.189 291 K C -2.636 173.959 176.600 -0.008 0.000 1.062 291 K CA -1.702 54.591 56.287 0.009 0.000 0.997 291 K CB 0.132 32.652 32.500 0.034 0.000 1.405 291 K HN 0.375 nan 8.250 nan 0.000 0.588 292 P HA -0.025 nan 4.420 nan 0.000 0.272 292 P C -0.851 176.429 177.300 -0.034 0.000 1.223 292 P CA -0.628 62.449 63.100 -0.039 0.000 0.784 292 P CB 0.853 32.517 31.700 -0.061 0.000 0.923 293 V N -0.201 119.705 119.914 -0.013 0.000 2.472 293 V HA 0.635 4.755 4.120 -0.000 0.000 0.290 293 V C -2.130 173.973 176.094 0.015 0.000 1.037 293 V CA -2.116 60.184 62.300 -0.001 0.000 0.908 293 V CB 0.890 32.716 31.823 0.005 0.000 0.985 293 V HN 0.469 nan 8.190 nan 0.000 0.454 294 P HA 0.228 nan 4.420 nan 0.000 0.276 294 P C -0.748 176.657 177.300 0.175 0.000 1.244 294 P CA -0.289 62.857 63.100 0.077 0.000 0.801 294 P CB 0.617 32.218 31.700 -0.166 0.000 1.006 295 H N 2.587 121.773 119.070 0.193 0.000 2.908 295 H HA 0.296 4.852 4.556 -0.000 0.000 0.269 295 H C -0.516 174.947 175.328 0.225 0.000 1.303 295 H CA -0.588 55.550 56.048 0.151 0.000 1.341 295 H CB -0.288 29.550 29.762 0.126 0.000 1.519 295 H HN 0.243 nan 8.280 nan 0.000 0.505 296 L N 5.830 127.164 121.223 0.186 0.000 2.281 296 L HA 0.253 4.593 4.340 -0.000 0.000 0.285 296 L C 0.681 177.573 176.870 0.037 0.000 1.074 296 L CA -0.350 54.538 54.840 0.080 0.000 0.817 296 L CB 1.020 43.072 42.059 -0.011 0.000 1.168 296 L HN 0.633 nan 8.230 nan 0.000 0.434 297 R N 4.452 124.923 120.500 -0.047 0.000 4.390 297 R HA 0.318 4.658 4.340 -0.000 0.000 0.229 297 R C -0.198 176.123 176.300 0.034 0.000 1.674 297 R CA -0.266 55.815 56.100 -0.031 0.000 1.526 297 R CB -0.210 30.026 30.300 -0.106 0.000 1.418 297 R HN 0.543 nan 8.270 nan 0.000 0.790 298 L N 0.000 121.257 121.223 0.057 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.884 54.840 0.073 0.000 0.813 298 L CB 0.000 42.109 42.059 0.084 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502