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 2vrl_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.502 175.510 -0.014 0.000 1.280 3 N CA 0.000 52.928 53.050 -0.203 0.000 0.885 3 N CB 0.000 38.408 38.487 -0.132 0.000 1.341 4 K N 1.901 122.305 120.400 0.007 0.000 2.174 4 K HA 0.527 4.847 4.320 -0.000 0.000 0.275 4 K C 0.253 176.890 176.600 0.061 0.000 1.015 4 K CA -0.216 56.091 56.287 0.033 0.000 0.933 4 K CB 1.407 33.915 32.500 0.013 0.000 1.025 4 K HN 0.714 nan 8.250 nan 0.000 0.463 5 C N -1.102 118.237 119.300 0.065 0.000 3.284 5 C HA 0.345 4.805 4.460 -0.000 0.000 0.348 5 C C 0.648 175.672 174.990 0.058 0.000 1.448 5 C CA -0.795 58.263 59.018 0.067 0.000 1.223 5 C CB 0.826 28.620 27.740 0.089 0.000 1.588 5 C HN 0.794 nan 8.230 nan 0.000 0.451 6 D N 0.384 120.821 120.400 0.062 0.000 2.120 6 D HA 0.131 4.771 4.640 -0.000 0.000 0.202 6 D C 0.443 176.808 176.300 0.108 0.000 0.972 6 D CA 1.647 55.693 54.000 0.077 0.000 0.837 6 D CB 0.187 41.032 40.800 0.076 0.000 0.989 6 D HN 0.513 nan 8.370 nan 0.000 0.469 7 V N 1.368 121.337 119.914 0.092 0.000 2.686 7 V HA 0.272 4.392 4.120 -0.000 0.000 0.306 7 V C -0.168 175.959 176.094 0.056 0.000 1.065 7 V CA -0.882 61.474 62.300 0.094 0.000 0.894 7 V CB 2.835 34.704 31.823 0.076 0.000 1.004 7 V HN -0.242 nan 8.190 nan 0.000 0.424 8 V N 5.088 125.030 119.914 0.047 0.000 2.407 8 V HA 0.416 4.536 4.120 -0.000 0.000 0.278 8 V C -0.073 176.016 176.094 -0.008 0.000 1.037 8 V CA -0.442 61.858 62.300 -0.000 0.000 0.900 8 V CB 1.824 33.642 31.823 -0.008 0.000 0.983 8 V HN 0.640 nan 8.190 nan 0.000 0.459 9 V N 6.130 126.024 119.914 -0.033 0.000 2.370 9 V HA 0.349 4.469 4.120 -0.000 0.000 0.279 9 V C -0.014 176.053 176.094 -0.046 0.000 1.029 9 V CA -0.585 61.699 62.300 -0.027 0.000 0.870 9 V CB 1.741 33.552 31.823 -0.021 0.000 0.984 9 V HN 0.602 nan 8.190 nan 0.000 0.451 10 V N 4.354 124.253 119.914 -0.025 0.000 2.348 10 V HA 0.829 4.949 4.120 -0.000 0.000 0.270 10 V C 0.664 176.758 176.094 0.000 0.000 1.037 10 V CA 0.338 62.624 62.300 -0.025 0.000 0.872 10 V CB 0.475 32.298 31.823 0.000 0.000 1.002 10 V HN 1.287 nan 8.190 nan 0.000 0.464 11 G N 3.572 112.359 108.800 -0.020 0.000 3.233 11 G HA2 0.190 4.150 3.960 -0.000 0.000 0.686 11 G HA3 0.190 4.150 3.960 -0.000 0.000 0.686 11 G C 0.066 174.964 174.900 -0.004 0.000 1.153 11 G CA -0.507 44.593 45.100 -0.000 0.000 0.853 11 G HN 1.254 nan 8.290 nan 0.000 0.582 12 G N 0.870 109.665 108.800 -0.008 0.000 4.125 12 G HA2 0.686 4.646 3.960 -0.000 0.000 0.301 12 G HA3 0.686 4.646 3.960 -0.000 0.000 0.301 12 G C 0.870 175.782 174.900 0.020 0.000 1.273 12 G CA 0.918 46.015 45.100 -0.004 0.000 1.095 12 G HN 1.281 nan 8.290 nan 0.000 0.582 13 G N -0.077 108.747 108.800 0.039 0.000 2.508 13 G HA2 0.355 4.315 3.960 -0.000 0.000 0.278 13 G HA3 0.355 4.315 3.960 -0.000 0.000 0.278 13 G C 1.205 176.130 174.900 0.041 0.000 1.389 13 G CA -0.759 44.374 45.100 0.055 0.000 1.050 13 G HN 0.143 nan 8.290 nan 0.000 0.522 14 I N -0.537 120.060 120.570 0.046 0.000 2.208 14 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 14 I C 3.034 179.173 176.117 0.038 0.000 1.097 14 I CA 1.687 63.007 61.300 0.034 0.000 1.363 14 I CB -0.119 37.904 38.000 0.038 0.000 1.051 14 I HN 0.462 nan 8.210 nan 0.000 0.413 15 S N 0.509 116.243 115.700 0.057 0.000 2.356 15 S HA -0.129 4.341 4.470 -0.000 0.000 0.223 15 S C 2.111 176.736 174.600 0.042 0.000 1.032 15 S CA 1.614 59.851 58.200 0.062 0.000 1.005 15 S CB -0.617 62.638 63.200 0.092 0.000 0.867 15 S HN 0.575 nan 8.310 nan 0.000 0.449 16 G N 1.577 110.400 108.800 0.039 0.000 2.418 16 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 16 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 16 G C 1.456 176.358 174.900 0.003 0.000 1.158 16 G CA 1.010 46.122 45.100 0.020 0.000 0.771 16 G HN 0.404 nan 8.290 nan 0.000 0.545 17 M N 1.244 120.844 119.600 -0.000 0.000 2.117 17 M HA 0.065 4.545 4.480 -0.000 0.000 0.262 17 M C 3.008 179.299 176.300 -0.014 0.000 1.065 17 M CA 1.262 56.553 55.300 -0.015 0.000 1.114 17 M CB -1.376 31.212 32.600 -0.019 0.000 1.361 17 M HN 0.311 nan 8.290 nan 0.000 0.408 18 A N 0.327 123.145 122.820 -0.004 0.000 1.902 18 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 18 A C 2.475 180.056 177.584 -0.004 0.000 1.181 18 A CA 2.151 54.186 52.037 -0.003 0.000 0.623 18 A CB -0.916 18.088 19.000 0.007 0.000 0.818 18 A HN 0.472 nan 8.150 nan 0.000 0.443 19 A N -0.070 122.748 122.820 -0.004 0.000 1.858 19 A HA 0.140 4.460 4.320 -0.000 0.000 0.216 19 A C 2.535 180.113 177.584 -0.009 0.000 1.190 19 A CA 2.247 54.276 52.037 -0.013 0.000 0.617 19 A CB -1.116 17.876 19.000 -0.013 0.000 0.827 19 A HN 1.089 nan 8.150 nan 0.000 0.443 20 A N -0.450 122.367 122.820 -0.006 0.000 1.933 20 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 20 A C 2.144 179.742 177.584 0.024 0.000 1.175 20 A CA 1.985 54.023 52.037 0.003 0.000 0.628 20 A CB -0.462 18.529 19.000 -0.016 0.000 0.814 20 A HN 0.560 nan 8.150 nan 0.000 0.444 21 K N -0.463 119.941 120.400 0.007 0.000 2.026 21 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 21 K C 1.997 178.633 176.600 0.059 0.000 1.048 21 K CA 1.568 57.871 56.287 0.026 0.000 0.929 21 K CB -0.323 32.175 32.500 -0.003 0.000 0.713 21 K HN 0.455 nan 8.250 nan 0.000 0.439 22 L N 1.216 122.453 121.223 0.024 0.000 1.989 22 L HA -0.213 4.127 4.340 -0.000 0.000 0.211 22 L C 2.248 179.126 176.870 0.013 0.000 1.071 22 L CA 1.303 56.150 54.840 0.011 0.000 0.749 22 L CB -0.196 41.854 42.059 -0.015 0.000 0.890 22 L HN 0.243 nan 8.230 nan 0.000 0.431 23 L N -1.175 120.057 121.223 0.013 0.000 2.046 23 L HA -0.280 4.060 4.340 -0.000 0.000 0.208 23 L C 2.595 179.487 176.870 0.036 0.000 1.077 23 L CA 1.559 56.404 54.840 0.008 0.000 0.747 23 L CB -0.850 41.211 42.059 0.002 0.000 0.896 23 L HN 0.420 nan 8.230 nan 0.000 0.432 24 H N 0.324 119.383 119.070 -0.020 0.000 2.319 24 H HA -0.204 4.352 4.556 -0.000 0.000 0.299 24 H C 1.804 177.124 175.328 -0.013 0.000 1.092 24 H CA 2.091 58.131 56.048 -0.013 0.000 1.302 24 H CB 0.019 29.773 29.762 -0.013 0.000 1.373 24 H HN 0.220 nan 8.280 nan 0.000 0.497 25 D N -0.643 119.775 120.400 0.030 0.000 2.218 25 D HA -0.092 4.548 4.640 -0.000 0.000 0.204 25 D C 1.855 178.115 176.300 -0.067 0.000 0.976 25 D CA 1.149 55.135 54.000 -0.024 0.000 0.853 25 D CB -0.201 40.617 40.800 0.030 0.000 0.939 25 D HN 0.315 nan 8.370 nan 0.000 0.481 26 S N -1.288 114.377 115.700 -0.058 0.000 2.562 26 S HA 0.248 4.718 4.470 -0.000 0.000 0.221 26 S C 1.626 176.183 174.600 -0.072 0.000 0.975 26 S CA 0.614 58.781 58.200 -0.055 0.000 0.918 26 S CB 0.676 63.851 63.200 -0.042 0.000 0.772 26 S HN 0.457 nan 8.310 nan 0.000 0.531 27 G N 0.817 109.547 108.800 -0.117 0.000 2.179 27 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.220 27 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.220 27 G C 0.026 174.878 174.900 -0.081 0.000 0.990 27 G CA -0.357 44.673 45.100 -0.116 0.000 0.646 27 G HN 0.410 nan 8.290 nan 0.000 0.517 28 L N 1.075 122.265 121.223 -0.054 0.000 2.436 28 L HA 0.355 4.695 4.340 -0.000 0.000 0.265 28 L C 0.183 177.060 176.870 0.011 0.000 1.168 28 L CA -0.824 54.009 54.840 -0.012 0.000 0.815 28 L CB 0.436 42.497 42.059 0.003 0.000 1.109 28 L HN 0.058 nan 8.230 nan 0.000 0.462 29 N N 2.145 120.864 118.700 0.032 0.000 2.408 29 N HA 0.295 5.035 4.740 -0.000 0.000 0.257 29 N C -0.621 174.930 175.510 0.069 0.000 1.064 29 N CA -0.098 52.988 53.050 0.059 0.000 0.952 29 N CB 1.778 40.296 38.487 0.051 0.000 1.093 29 N HN 0.374 nan 8.380 nan 0.000 0.490 30 V N 0.041 120.006 119.914 0.085 0.000 2.769 30 V HA 0.734 4.854 4.120 -0.000 0.000 0.312 30 V C -0.299 175.820 176.094 0.041 0.000 1.061 30 V CA -0.725 61.612 62.300 0.061 0.000 0.931 30 V CB 2.023 33.880 31.823 0.056 0.000 1.010 30 V HN 0.181 nan 8.190 nan 0.000 0.433 31 V N 3.774 123.694 119.914 0.011 0.000 2.656 31 V HA 0.566 4.686 4.120 -0.000 0.000 0.307 31 V C -0.385 175.658 176.094 -0.085 0.000 1.051 31 V CA -0.528 61.751 62.300 -0.036 0.000 0.893 31 V CB 2.145 33.943 31.823 -0.042 0.000 0.999 31 V HN 0.857 nan 8.190 nan 0.000 0.426 32 V N 6.124 125.978 119.914 -0.100 0.000 2.370 32 V HA 0.465 4.585 4.120 -0.000 0.000 0.283 32 V C -0.246 175.753 176.094 -0.159 0.000 1.023 32 V CA -0.460 61.777 62.300 -0.105 0.000 0.857 32 V CB 1.508 33.288 31.823 -0.071 0.000 0.985 32 V HN 0.614 nan 8.190 nan 0.000 0.443 33 L N 4.579 125.693 121.223 -0.181 0.000 2.262 33 L HA 0.602 4.942 4.340 -0.000 0.000 0.288 33 L C -0.160 176.624 176.870 -0.144 0.000 1.035 33 L CA -0.329 54.385 54.840 -0.211 0.000 0.820 33 L CB 1.361 43.255 42.059 -0.274 0.000 1.204 33 L HN 0.613 nan 8.230 nan 0.000 0.424 34 E N 2.322 122.441 120.200 -0.135 0.000 2.176 34 E HA 0.504 4.854 4.350 -0.000 0.000 0.267 34 E C 0.291 176.780 176.600 -0.184 0.000 0.893 34 E CA -0.318 56.004 56.400 -0.129 0.000 0.761 34 E CB 2.071 31.718 29.700 -0.089 0.000 1.133 34 E HN 0.544 nan 8.360 nan 0.000 0.409 35 A N 5.358 128.005 122.820 -0.289 0.000 1.930 35 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 35 A C 1.057 178.397 177.584 -0.406 0.000 1.175 35 A CA 0.923 52.651 52.037 -0.514 0.000 0.627 35 A CB -0.155 18.145 19.000 -1.167 0.000 0.815 35 A HN 0.597 nan 8.150 nan 0.000 0.443 36 R N -0.064 120.275 120.500 -0.268 0.000 2.541 36 R HA 0.256 4.596 4.340 -0.000 0.000 0.263 36 R C 0.046 176.298 176.300 -0.080 0.000 1.112 36 R CA 0.148 56.171 56.100 -0.128 0.000 1.170 36 R CB 0.166 30.429 30.300 -0.061 0.000 1.167 36 R HN 0.441 nan 8.270 nan 0.000 0.582 37 D N 0.259 120.631 120.400 -0.046 0.000 2.325 37 D HA -0.020 4.620 4.640 -0.000 0.000 0.234 37 D C -0.148 176.146 176.300 -0.009 0.000 1.122 37 D CA 0.003 53.987 54.000 -0.027 0.000 0.850 37 D CB -0.042 40.748 40.800 -0.016 0.000 0.921 37 D HN 0.429 nan 8.370 nan 0.000 0.513 38 R N -1.190 119.305 120.500 -0.008 0.000 2.710 38 R HA 0.571 4.911 4.340 -0.000 0.000 0.270 38 R C -0.714 175.600 176.300 0.023 0.000 1.021 38 R CA -1.117 54.998 56.100 0.024 0.000 0.889 38 R CB 1.181 31.517 30.300 0.060 0.000 1.243 38 R HN -0.098 nan 8.270 nan 0.000 0.464 39 V N -1.231 118.705 119.914 0.037 0.000 3.134 39 V HA 0.851 4.971 4.120 -0.000 0.000 0.313 39 V C 0.932 177.076 176.094 0.083 0.000 1.069 39 V CA 0.499 62.822 62.300 0.038 0.000 1.048 39 V CB 0.820 32.652 31.823 0.015 0.000 1.119 39 V HN 1.201 nan 8.190 nan 0.000 0.461 40 G N -0.642 108.207 108.800 0.081 0.000 2.352 40 G HA2 0.132 4.092 3.960 -0.000 0.000 0.204 40 G HA3 0.132 4.092 3.960 -0.000 0.000 0.204 40 G C 1.536 176.520 174.900 0.139 0.000 1.004 40 G CA 0.712 45.881 45.100 0.115 0.000 0.648 40 G HN 2.510 nan 8.290 nan 0.000 0.491 41 G N 0.713 109.604 108.800 0.151 0.000 2.672 41 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.332 41 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.332 41 G C 1.034 176.087 174.900 0.256 0.000 1.213 41 G CA 1.655 46.865 45.100 0.183 0.000 0.980 41 G HN 1.144 nan 8.290 nan 0.000 0.548 42 R N 1.815 122.380 120.500 0.108 0.000 2.323 42 R HA 0.218 4.558 4.340 -0.000 0.000 0.198 42 R C 1.044 177.246 176.300 -0.162 0.000 0.988 42 R CA 1.003 57.005 56.100 -0.164 0.000 1.041 42 R CB -0.143 30.026 30.300 -0.218 0.000 0.926 42 R HN 0.692 nan 8.270 nan 0.000 0.476 43 T N -2.425 112.183 114.554 0.089 0.000 2.824 43 T HA 0.361 4.711 4.350 -0.000 0.000 0.280 43 T C -0.961 173.964 174.700 0.376 0.000 0.995 43 T CA -0.637 61.564 62.100 0.167 0.000 1.009 43 T CB 1.576 70.508 68.868 0.107 0.000 0.955 43 T HN 0.109 nan 8.240 nan 0.000 0.452 44 Y N 1.389 121.836 120.300 0.246 0.000 2.313 44 Y HA 0.428 4.978 4.550 -0.000 0.000 0.320 44 Y C -1.152 174.858 175.900 0.185 0.000 1.171 44 Y CA -0.812 57.432 58.100 0.239 0.000 1.093 44 Y CB 1.535 40.197 38.460 0.337 0.000 1.224 44 Y HN 0.888 nan 8.280 nan 0.000 0.421 45 T N 7.672 122.041 114.554 -0.307 0.000 2.743 45 T HA 0.418 4.768 4.350 -0.000 0.000 0.292 45 T C -0.811 173.554 174.700 -0.559 0.000 0.972 45 T CA -0.395 61.516 62.100 -0.314 0.000 0.967 45 T CB 0.713 69.519 68.868 -0.103 0.000 0.926 45 T HN 0.579 nan 8.240 nan 0.000 0.459 46 L N 4.419 125.350 121.223 -0.486 0.000 2.292 46 L HA 0.624 4.964 4.340 -0.000 0.000 0.284 46 L C -0.320 176.488 176.870 -0.103 0.000 1.065 46 L CA -0.219 54.432 54.840 -0.315 0.000 0.806 46 L CB 0.508 42.454 42.059 -0.189 0.000 1.175 46 L HN 0.445 nan 8.230 nan 0.000 0.431 47 R N 3.660 124.122 120.500 -0.064 0.000 2.437 47 R HA 0.618 4.958 4.340 -0.000 0.000 0.310 47 R C -1.029 175.252 176.300 -0.033 0.000 0.955 47 R CA -0.571 55.513 56.100 -0.027 0.000 0.851 47 R CB 1.234 31.529 30.300 -0.008 0.000 1.161 47 R HN 0.873 nan 8.270 nan 0.000 0.446 48 N N -1.109 117.555 118.700 -0.060 0.000 2.934 48 N HA 0.069 4.809 4.740 -0.000 0.000 0.253 48 N C -0.122 175.327 175.510 -0.102 0.000 1.466 48 N CA -0.927 52.084 53.050 -0.065 0.000 0.858 48 N CB 0.733 39.185 38.487 -0.057 0.000 1.459 48 N HN 0.274 nan 8.380 nan 0.000 0.532 49 Q N -0.435 119.312 119.800 -0.090 0.000 2.167 49 Q HA 0.009 4.349 4.340 -0.000 0.000 0.202 49 Q C 0.583 176.530 176.000 -0.088 0.000 0.970 49 Q CA 1.212 56.975 55.803 -0.067 0.000 0.855 49 Q CB 0.064 28.775 28.738 -0.046 0.000 0.911 49 Q HN 0.505 nan 8.270 nan 0.000 0.438 50 K N -0.010 120.250 120.400 -0.233 0.000 2.103 50 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 50 K C 2.036 178.437 176.600 -0.332 0.000 1.052 50 K CA 1.408 57.465 56.287 -0.383 0.000 0.945 50 K CB -0.128 31.801 32.500 -0.952 0.000 0.722 50 K HN 0.287 nan 8.250 nan 0.000 0.443 51 V N -2.212 117.455 119.914 -0.411 0.000 3.644 51 V HA 0.178 4.298 4.120 -0.000 0.000 0.267 51 V C 1.541 177.238 176.094 -0.662 0.000 1.277 51 V CA 0.808 62.822 62.300 -0.477 0.000 1.096 51 V CB 0.025 31.631 31.823 -0.361 0.000 0.828 51 V HN 0.326 nan 8.190 nan 0.000 0.446 52 K N 0.510 120.591 120.400 -0.532 0.000 11.046 52 K HA -0.315 4.005 4.320 -0.000 0.000 0.528 52 K C 0.160 176.650 176.600 -0.184 0.000 0.384 52 K CA 2.542 58.564 56.287 -0.442 0.000 1.939 52 K CB -1.443 30.597 32.500 -0.767 0.000 0.775 52 K HN 0.952 nan 8.250 nan 0.000 1.232 53 Y N -1.931 118.221 120.300 -0.247 0.000 2.571 53 Y HA 0.728 5.278 4.550 -0.000 0.000 0.341 53 Y C -1.262 174.595 175.900 -0.072 0.000 1.076 53 Y CA -0.720 57.298 58.100 -0.137 0.000 1.029 53 Y CB 2.027 40.425 38.460 -0.103 0.000 1.308 53 Y HN 0.016 nan 8.280 nan 0.000 0.461 54 V N 2.430 122.407 119.914 0.106 0.000 2.817 54 V HA 0.366 4.486 4.120 -0.000 0.000 0.303 54 V C -1.602 174.549 176.094 0.095 0.000 1.151 54 V CA -0.620 61.739 62.300 0.100 0.000 0.929 54 V CB 1.984 33.879 31.823 0.120 0.000 1.030 54 V HN 0.935 nan 8.190 nan 0.000 0.427 55 D N 5.349 125.816 120.400 0.111 0.000 2.343 55 D HA 0.320 4.960 4.640 -0.000 0.000 0.255 55 D C 0.752 177.132 176.300 0.133 0.000 1.187 55 D CA 0.215 54.268 54.000 0.087 0.000 0.875 55 D CB 1.904 42.730 40.800 0.042 0.000 1.136 55 D HN 0.522 nan 8.370 nan 0.000 0.469 56 L N 1.505 122.862 121.223 0.224 0.000 2.616 56 L HA 0.243 4.583 4.340 -0.000 0.000 0.229 56 L C 1.445 178.713 176.870 0.663 0.000 1.110 56 L CA -0.025 55.049 54.840 0.391 0.000 0.884 56 L CB 0.483 42.784 42.059 0.403 0.000 1.115 56 L HN 0.332 nan 8.230 nan 0.000 0.481 57 G N -0.724 108.377 108.800 0.502 0.000 3.234 57 G HA2 0.435 4.395 3.960 -0.000 0.000 0.159 57 G HA3 0.435 4.395 3.960 -0.000 0.000 0.159 57 G C -0.174 174.743 174.900 0.028 0.000 1.175 57 G CA -0.078 45.133 45.100 0.184 0.000 0.900 57 G HN 0.063 nan 8.290 nan 0.000 0.621 58 G N -0.790 107.956 108.800 -0.089 0.000 2.321 58 G HA2 0.367 4.326 3.960 -0.000 0.000 0.237 58 G HA3 0.367 4.326 3.960 -0.000 0.000 0.237 58 G C 0.524 175.397 174.900 -0.045 0.000 1.282 58 G CA 0.946 46.002 45.100 -0.074 0.000 0.886 58 G HN 0.875 nan 8.290 nan 0.000 0.528 59 S N 1.105 116.728 115.700 -0.129 0.000 3.102 59 S HA 0.187 4.657 4.470 -0.000 0.000 0.265 59 S C -0.011 174.330 174.600 -0.432 0.000 1.072 59 S CA -0.306 57.712 58.200 -0.303 0.000 0.946 59 S CB 0.026 62.908 63.200 -0.531 0.000 0.901 59 S HN 0.494 nan 8.310 nan 0.000 0.437 60 Y N 2.723 122.976 120.300 -0.079 0.000 2.299 60 Y HA 0.571 5.121 4.550 -0.000 0.000 0.326 60 Y C 0.223 175.996 175.900 -0.211 0.000 1.164 60 Y CA -0.492 57.516 58.100 -0.153 0.000 1.234 60 Y CB 1.329 39.741 38.460 -0.080 0.000 1.219 60 Y HN 0.117 nan 8.280 nan 0.000 0.497 61 V N -0.319 119.481 119.914 -0.190 0.000 3.078 61 V HA 1.101 5.221 4.120 -0.000 0.000 0.311 61 V C -0.374 175.540 176.094 -0.300 0.000 1.138 61 V CA -0.523 61.591 62.300 -0.310 0.000 1.007 61 V CB 1.683 33.250 31.823 -0.428 0.000 1.045 61 V HN 0.955 nan 8.190 nan 0.000 0.432 62 G N 0.631 109.216 108.800 -0.360 0.000 2.606 62 G HA2 0.729 4.689 3.960 -0.000 0.000 0.300 62 G HA3 0.729 4.689 3.960 -0.000 0.000 0.300 62 G C -3.458 171.290 174.900 -0.253 0.000 1.360 62 G CA -1.135 43.803 45.100 -0.270 0.000 0.783 62 G HN 0.713 nan 8.290 nan 0.000 0.484 63 P HA 0.132 nan 4.420 nan 0.000 0.266 63 P C 0.805 178.086 177.300 -0.031 0.000 1.193 63 P CA 1.949 65.007 63.100 -0.071 0.000 0.770 63 P CB 0.836 32.522 31.700 -0.024 0.000 0.836 64 T N -1.635 112.933 114.554 0.023 0.000 6.424 64 T HA -0.255 4.095 4.350 -0.000 0.000 0.279 64 T C 0.282 175.016 174.700 0.057 0.000 2.176 64 T CA 0.987 63.175 62.100 0.147 0.000 3.628 64 T CB -2.688 66.386 68.868 0.344 0.000 1.165 64 T HN 0.583 nan 8.240 nan 0.000 1.080 65 Q N 1.383 121.041 119.800 -0.237 0.000 3.207 65 Q HA 0.360 4.700 4.340 -0.000 0.000 0.335 65 Q C 0.921 176.832 176.000 -0.147 0.000 1.374 65 Q CA -0.449 55.120 55.803 -0.389 0.000 1.023 65 Q CB 0.164 28.487 28.738 -0.692 0.000 1.576 65 Q HN 0.509 nan 8.270 nan 0.000 0.515 66 N N 0.813 119.497 118.700 -0.027 0.000 2.331 66 N HA -0.077 4.663 4.740 -0.000 0.000 0.180 66 N C 1.236 176.759 175.510 0.023 0.000 1.019 66 N CA 0.841 53.898 53.050 0.012 0.000 0.881 66 N CB 0.241 38.757 38.487 0.048 0.000 0.972 66 N HN 0.377 nan 8.380 nan 0.000 0.435 67 R N 0.403 120.922 120.500 0.031 0.000 2.073 67 R HA 0.017 4.357 4.340 -0.000 0.000 0.229 67 R C 2.000 178.317 176.300 0.029 0.000 1.120 67 R CA 0.673 56.796 56.100 0.039 0.000 0.967 67 R CB -0.280 30.056 30.300 0.060 0.000 0.862 67 R HN 0.093 nan 8.270 nan 0.000 0.436 68 I N 1.146 121.728 120.570 0.021 0.000 2.315 68 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 68 I C 1.778 177.960 176.117 0.107 0.000 1.117 68 I CA 1.323 62.656 61.300 0.056 0.000 1.404 68 I CB -0.067 37.972 38.000 0.066 0.000 1.071 68 I HN 0.085 nan 8.210 nan 0.000 0.419 69 L N 0.205 121.479 121.223 0.084 0.000 2.046 69 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 69 L C 2.744 179.656 176.870 0.070 0.000 1.077 69 L CA 1.362 56.265 54.840 0.105 0.000 0.747 69 L CB -0.883 41.197 42.059 0.036 0.000 0.896 69 L HN 0.252 nan 8.230 nan 0.000 0.432 70 R N 0.795 121.319 120.500 0.039 0.000 2.075 70 R HA -0.176 4.164 4.340 -0.000 0.000 0.232 70 R C 2.297 178.603 176.300 0.009 0.000 1.126 70 R CA 1.609 57.724 56.100 0.025 0.000 0.963 70 R CB -0.607 29.707 30.300 0.023 0.000 0.858 70 R HN 0.260 nan 8.270 nan 0.000 0.435 71 L N 1.137 122.362 121.223 0.002 0.000 2.017 71 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 71 L C 2.405 179.237 176.870 -0.063 0.000 1.073 71 L CA 2.316 57.142 54.840 -0.024 0.000 0.745 71 L CB -0.768 41.276 42.059 -0.025 0.000 0.894 71 L HN 0.232 nan 8.230 nan 0.000 0.432 72 A N -0.745 122.022 122.820 -0.088 0.000 1.898 72 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 72 A C 2.450 179.975 177.584 -0.099 0.000 1.181 72 A CA 1.831 53.750 52.037 -0.197 0.000 0.620 72 A CB -0.618 18.146 19.000 -0.393 0.000 0.819 72 A HN 0.494 nan 8.150 nan 0.000 0.442 73 K N -0.285 120.106 120.400 -0.015 0.000 2.032 73 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 73 K C 2.092 178.683 176.600 -0.015 0.000 1.048 73 K CA 1.818 58.107 56.287 0.004 0.000 0.927 73 K CB -0.196 32.319 32.500 0.026 0.000 0.712 73 K HN 0.631 nan 8.250 nan 0.000 0.441 74 E N 0.481 120.670 120.200 -0.019 0.000 2.153 74 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 74 E C 1.731 178.311 176.600 -0.033 0.000 0.988 74 E CA 0.911 57.299 56.400 -0.020 0.000 0.811 74 E CB 0.005 29.696 29.700 -0.015 0.000 0.746 74 E HN 0.353 nan 8.360 nan 0.000 0.466 75 L N -0.673 120.516 121.223 -0.057 0.000 2.610 75 L HA 0.126 4.466 4.340 -0.000 0.000 0.232 75 L C 1.410 178.239 176.870 -0.069 0.000 1.149 75 L CA 0.495 55.291 54.840 -0.072 0.000 0.872 75 L CB 0.033 42.027 42.059 -0.108 0.000 0.992 75 L HN 0.393 nan 8.230 nan 0.000 0.447 76 G N 0.317 109.084 108.800 -0.054 0.000 2.131 76 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.223 76 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.223 76 G C 0.069 174.944 174.900 -0.043 0.000 0.990 76 G CA -0.357 44.720 45.100 -0.039 0.000 0.671 76 G HN 0.196 nan 8.290 nan 0.000 0.521 77 L N -0.124 121.060 121.223 -0.065 0.000 2.399 77 L HA 0.692 5.032 4.340 -0.000 0.000 0.266 77 L C 0.636 177.542 176.870 0.060 0.000 1.114 77 L CA -0.606 54.204 54.840 -0.051 0.000 0.804 77 L CB 1.122 43.052 42.059 -0.216 0.000 1.146 77 L HN 0.159 nan 8.230 nan 0.000 0.451 78 E N 0.156 120.432 120.200 0.126 0.000 2.256 78 E HA 0.405 4.755 4.350 -0.000 0.000 0.267 78 E C -0.869 175.884 176.600 0.255 0.000 0.892 78 E CA -0.611 55.886 56.400 0.162 0.000 0.775 78 E CB 2.449 32.220 29.700 0.117 0.000 1.207 78 E HN 0.665 nan 8.360 nan 0.000 0.420 79 T N -0.847 113.811 114.554 0.175 0.000 2.944 79 T HA 0.599 4.949 4.350 -0.000 0.000 0.284 79 T C -0.653 174.128 174.700 0.135 0.000 1.010 79 T CA -0.646 61.491 62.100 0.062 0.000 1.025 79 T CB 0.678 69.468 68.868 -0.131 0.000 1.079 79 T HN 0.495 nan 8.240 nan 0.000 0.516 80 Y N -1.313 118.982 120.300 -0.008 0.000 2.609 80 Y HA 0.742 5.292 4.550 0.000 0.000 0.342 80 Y C -0.689 175.210 175.900 -0.002 0.000 1.058 80 Y CA -1.562 56.545 58.100 0.012 0.000 1.055 80 Y CB 1.410 39.897 38.460 0.045 0.000 1.292 80 Y HN 0.631 nan 8.280 nan 0.000 0.476 81 K N 2.040 122.516 120.400 0.127 0.000 2.234 81 K HA 0.454 4.773 4.320 -0.000 0.000 0.282 81 K C -0.906 175.747 176.600 0.088 0.000 1.039 81 K CA -0.785 55.520 56.287 0.030 0.000 0.928 81 K CB 1.626 34.163 32.500 0.062 0.000 1.039 81 K HN 0.590 nan 8.250 nan 0.000 0.470 82 V N 3.320 123.231 119.914 -0.004 0.000 2.655 82 V HA -0.094 4.026 4.120 -0.000 0.000 0.300 82 V C 0.516 176.657 176.094 0.079 0.000 1.044 82 V CA -0.240 62.101 62.300 0.068 0.000 1.095 82 V CB 0.442 32.286 31.823 0.036 0.000 0.952 82 V HN 0.731 nan 8.190 nan 0.000 0.485 83 N N 3.940 122.708 118.700 0.114 0.000 2.429 83 N HA -0.006 4.734 4.740 -0.000 0.000 0.271 83 N C 0.321 175.855 175.510 0.040 0.000 1.272 83 N CA 0.559 53.663 53.050 0.090 0.000 0.921 83 N CB 0.244 38.806 38.487 0.125 0.000 1.128 83 N HN 0.816 nan 8.380 nan 0.000 0.481 84 E N 2.847 123.061 120.200 0.023 0.000 3.029 84 E HA 0.100 4.450 4.350 -0.000 0.000 0.196 84 E C 0.445 177.046 176.600 0.002 0.000 0.973 84 E CA -0.039 56.358 56.400 -0.005 0.000 1.242 84 E CB 0.336 30.022 29.700 -0.024 0.000 1.056 84 E HN 0.458 nan 8.360 nan 0.000 0.469 85 V N 0.568 120.494 119.914 0.019 0.000 2.358 85 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 85 V C 0.943 177.045 176.094 0.013 0.000 1.047 85 V CA 1.620 63.930 62.300 0.017 0.000 1.035 85 V CB -0.175 31.660 31.823 0.019 0.000 0.658 85 V HN 0.230 nan 8.190 nan 0.000 0.452 86 E N -0.790 119.424 120.200 0.024 0.000 3.099 86 E HA 0.422 4.772 4.350 -0.000 0.000 0.259 86 E C 0.181 176.794 176.600 0.021 0.000 1.274 86 E CA -0.711 55.707 56.400 0.030 0.000 1.111 86 E CB 0.262 29.991 29.700 0.048 0.000 1.327 86 E HN 0.286 nan 8.360 nan 0.000 0.652 87 R N 0.236 120.771 120.500 0.059 0.000 2.490 87 R HA 0.271 4.611 4.340 -0.000 0.000 0.280 87 R C -0.454 175.803 176.300 -0.072 0.000 1.077 87 R CA -0.540 55.569 56.100 0.015 0.000 1.065 87 R CB 0.104 30.479 30.300 0.124 0.000 1.003 87 R HN 0.183 nan 8.270 nan 0.000 0.470 88 L N 2.742 123.746 121.223 -0.366 0.000 2.453 88 L HA 0.312 4.652 4.340 -0.000 0.000 0.261 88 L C 0.229 176.866 176.870 -0.388 0.000 1.179 88 L CA 0.415 54.929 54.840 -0.544 0.000 0.813 88 L CB 0.389 41.790 42.059 -1.097 0.000 1.110 88 L HN 0.461 nan 8.230 nan 0.000 0.466 89 I N 0.459 120.941 120.570 -0.148 0.000 2.498 89 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 89 I C -0.583 175.793 176.117 0.431 0.000 1.032 89 I CA -0.486 60.874 61.300 0.101 0.000 1.073 89 I CB 1.567 39.487 38.000 -0.134 0.000 1.251 89 I HN 0.545 nan 8.210 nan 0.000 0.426 90 H N 5.367 124.735 119.070 0.496 0.000 2.581 90 H HA 0.306 4.862 4.556 -0.000 0.000 0.308 90 H C -1.256 174.313 175.328 0.402 0.000 1.040 90 H CA -0.727 55.580 56.048 0.432 0.000 1.231 90 H CB 0.821 30.787 29.762 0.340 0.000 1.396 90 H HN 0.602 nan 8.280 nan 0.000 0.467 91 H N 4.403 123.592 119.070 0.198 0.000 2.556 91 H HA 0.383 4.939 4.556 -0.000 0.000 0.310 91 H C -1.374 173.947 175.328 -0.012 0.000 1.057 91 H CA -0.337 55.759 56.048 0.080 0.000 1.264 91 H CB 0.769 30.580 29.762 0.081 0.000 1.404 91 H HN 0.325 nan 8.280 nan 0.000 0.462 92 V N 5.894 125.666 119.914 -0.236 0.000 2.760 92 V HA 0.231 4.351 4.120 -0.000 0.000 0.309 92 V C -0.682 175.346 176.094 -0.110 0.000 1.077 92 V CA -0.959 61.245 62.300 -0.161 0.000 0.910 92 V CB 1.438 33.091 31.823 -0.283 0.000 1.008 92 V HN 1.036 nan 8.190 nan 0.000 0.424 93 K N 4.795 125.166 120.400 -0.048 0.000 3.451 93 K HA -0.217 4.103 4.320 -0.000 0.000 0.273 93 K C 0.933 177.488 176.600 -0.074 0.000 0.944 93 K CA 0.802 57.076 56.287 -0.021 0.000 0.734 93 K CB -1.384 31.123 32.500 0.012 0.000 1.437 93 K HN 1.780 nan 8.250 nan 0.000 0.454 94 G N 0.147 108.875 108.800 -0.119 0.000 2.166 94 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.260 94 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.260 94 G C -0.066 174.674 174.900 -0.266 0.000 0.986 94 G CA 1.131 46.192 45.100 -0.064 0.000 0.683 94 G HN 0.499 nan 8.290 nan 0.000 0.527 95 K N -0.236 119.791 120.400 -0.620 0.000 2.469 95 K HA 0.616 4.936 4.320 -0.000 0.000 0.254 95 K C -0.607 175.610 176.600 -0.639 0.000 0.939 95 K CA -0.551 55.436 56.287 -0.499 0.000 0.812 95 K CB 1.419 33.715 32.500 -0.340 0.000 1.301 95 K HN 0.035 nan 8.250 nan 0.000 0.433 96 S N 2.228 117.715 115.700 -0.355 0.000 2.480 96 S HA 0.389 4.859 4.470 -0.000 0.000 0.286 96 S C -1.444 172.939 174.600 -0.360 0.000 1.180 96 S CA -0.383 57.737 58.200 -0.134 0.000 1.075 96 S CB 0.239 63.479 63.200 0.067 0.000 0.996 96 S HN 0.398 nan 8.310 nan 0.000 0.487 97 Y N 2.925 123.310 120.300 0.142 0.000 2.447 97 Y HA 0.356 4.906 4.550 -0.000 0.000 0.325 97 Y C -2.469 173.625 175.900 0.323 0.000 0.976 97 Y CA -2.537 55.687 58.100 0.206 0.000 1.280 97 Y CB 0.781 39.359 38.460 0.197 0.000 1.104 97 Y HN 0.450 nan 8.280 nan 0.000 0.486 98 P HA 0.219 nan 4.420 nan 0.000 0.275 98 P C -0.836 176.743 177.300 0.465 0.000 1.227 98 P CA -0.022 63.290 63.100 0.355 0.000 0.781 98 P CB 0.534 32.440 31.700 0.344 0.000 0.906 99 F N -0.190 119.888 119.950 0.215 0.000 2.685 99 F HA 0.728 5.255 4.527 -0.000 0.000 0.315 99 F C -0.724 175.165 175.800 0.149 0.000 1.126 99 F CA -1.375 56.742 58.000 0.194 0.000 0.950 99 F CB 1.498 40.619 39.000 0.202 0.000 1.360 99 F HN 0.042 nan 8.300 nan 0.000 0.469 100 R N 0.688 121.334 120.500 0.242 0.000 2.902 100 R HA 0.786 5.126 4.340 -0.000 0.000 0.258 100 R C -0.271 176.175 176.300 0.244 0.000 1.071 100 R CA -0.734 55.426 56.100 0.100 0.000 1.024 100 R CB 1.563 31.928 30.300 0.107 0.000 1.184 100 R HN 1.389 nan 8.270 nan 0.000 0.492 101 G N 0.888 109.769 108.800 0.135 0.000 2.795 101 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.664 101 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.664 101 G C -2.170 172.860 174.900 0.216 0.000 1.381 101 G CA -0.834 44.367 45.100 0.168 0.000 0.853 101 G HN 0.450 nan 8.290 nan 0.000 0.545 102 P HA 0.192 nan 4.420 nan 0.000 0.222 102 P C 0.508 177.842 177.300 0.055 0.000 1.153 102 P CA 0.997 64.123 63.100 0.043 0.000 0.798 102 P CB 0.231 31.870 31.700 -0.101 0.000 0.796 103 F N 0.589 120.609 119.950 0.117 0.000 2.482 103 F HA 0.419 4.946 4.527 -0.000 0.000 0.331 103 F C -2.207 173.366 175.800 -0.379 0.000 1.115 103 F CA -3.044 54.882 58.000 -0.123 0.000 0.955 103 F CB 1.924 40.787 39.000 -0.228 0.000 1.136 103 F HN -0.313 nan 8.300 nan 0.000 0.452 104 P HA 0.198 nan 4.420 nan 0.000 0.276 104 P C -2.569 174.428 177.300 -0.504 0.000 1.243 104 P CA -1.116 61.283 63.100 -1.168 0.000 0.768 104 P CB 0.087 31.209 31.700 -0.964 0.000 0.856 105 P HA 0.186 nan 4.420 nan 0.000 0.272 105 P C -0.837 176.283 177.300 -0.301 0.000 1.230 105 P CA -0.039 62.891 63.100 -0.284 0.000 0.788 105 P CB 0.541 32.148 31.700 -0.155 0.000 0.949 106 V N 1.372 121.037 119.914 -0.414 0.000 2.638 106 V HA 0.259 4.379 4.120 -0.000 0.000 0.306 106 V C -0.237 175.643 176.094 -0.357 0.000 1.052 106 V CA -0.242 61.857 62.300 -0.335 0.000 0.885 106 V CB 1.880 33.434 31.823 -0.450 0.000 0.999 106 V HN 0.701 nan 8.190 nan 0.000 0.424 107 W N 0.888 122.157 121.300 -0.052 0.000 2.699 107 W HA 0.221 4.881 4.660 -0.000 0.000 0.265 107 W C 1.351 177.861 176.519 -0.015 0.000 1.210 107 W CA -0.077 57.250 57.345 -0.029 0.000 1.414 107 W CB 0.338 29.773 29.460 -0.041 0.000 1.043 107 W HN 0.538 nan 8.180 nan 0.000 0.599 108 N N 2.130 120.934 118.700 0.173 0.000 2.458 108 N HA -0.027 4.713 4.740 -0.000 0.000 0.258 108 N C -1.768 173.802 175.510 0.100 0.000 1.219 108 N CA -0.527 52.593 53.050 0.115 0.000 0.902 108 N CB 1.596 40.135 38.487 0.086 0.000 1.076 108 N HN -0.137 nan 8.380 nan 0.000 0.455 109 P HA -0.031 nan 4.420 nan 0.000 0.218 109 P C 1.597 178.958 177.300 0.101 0.000 1.152 109 P CA 0.596 63.737 63.100 0.068 0.000 0.826 109 P CB 0.400 32.118 31.700 0.031 0.000 0.790 110 I N -0.233 120.383 120.570 0.076 0.000 2.163 110 I HA -0.167 4.003 4.170 -0.000 0.000 0.240 110 I C 1.992 178.163 176.117 0.089 0.000 1.081 110 I CA 1.861 63.201 61.300 0.065 0.000 1.353 110 I CB -2.030 36.002 38.000 0.054 0.000 1.054 110 I HN 0.019 nan 8.210 nan 0.000 0.407 111 T N 0.595 115.211 114.554 0.104 0.000 2.699 111 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 111 T C 1.875 176.650 174.700 0.125 0.000 1.036 111 T CA 1.826 64.008 62.100 0.136 0.000 1.147 111 T CB -0.794 68.132 68.868 0.097 0.000 0.862 111 T HN 0.312 nan 8.240 nan 0.000 0.446 112 Y N 1.803 122.083 120.300 -0.034 0.000 2.128 112 Y HA -0.149 4.401 4.550 -0.000 0.000 0.284 112 Y C 2.102 177.989 175.900 -0.021 0.000 1.154 112 Y CA 1.234 59.285 58.100 -0.081 0.000 1.149 112 Y CB -0.521 37.863 38.460 -0.126 0.000 0.976 112 Y HN 0.129 nan 8.280 nan 0.000 0.505 113 L N -0.302 120.999 121.223 0.130 0.000 2.046 113 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 113 L C 2.166 179.009 176.870 -0.044 0.000 1.077 113 L CA 1.774 56.639 54.840 0.040 0.000 0.747 113 L CB -0.621 41.463 42.059 0.042 0.000 0.896 113 L HN 0.222 nan 8.230 nan 0.000 0.432 114 D N -0.974 119.426 120.400 -0.000 0.000 2.117 114 D HA -0.190 4.450 4.640 -0.000 0.000 0.198 114 D C 2.190 178.460 176.300 -0.050 0.000 0.982 114 D CA 1.190 55.190 54.000 -0.001 0.000 0.828 114 D CB 0.090 40.924 40.800 0.055 0.000 0.967 114 D HN 0.310 nan 8.370 nan 0.000 0.464 115 H N -0.336 118.634 119.070 -0.166 0.000 2.326 115 H HA -0.091 4.465 4.556 -0.000 0.000 0.301 115 H C 2.129 177.349 175.328 -0.181 0.000 1.081 115 H CA 1.111 57.049 56.048 -0.183 0.000 1.334 115 H CB -0.154 29.506 29.762 -0.170 0.000 1.385 115 H HN 0.279 nan 8.280 nan 0.000 0.504 116 N N 1.161 119.746 118.700 -0.191 0.000 2.104 116 N HA -0.181 4.558 4.740 -0.000 0.000 0.190 116 N C 1.786 177.221 175.510 -0.124 0.000 1.024 116 N CA 0.935 53.851 53.050 -0.224 0.000 0.853 116 N CB -0.184 38.080 38.487 -0.371 0.000 1.008 116 N HN 0.399 nan 8.380 nan 0.000 0.424 117 N N -0.237 118.392 118.700 -0.117 0.000 2.270 117 N HA -0.154 4.586 4.740 -0.000 0.000 0.181 117 N C 1.823 177.255 175.510 -0.130 0.000 1.016 117 N CA 0.434 53.420 53.050 -0.107 0.000 0.870 117 N CB -0.209 38.229 38.487 -0.082 0.000 0.979 117 N HN 0.227 nan 8.380 nan 0.000 0.431 118 F N 0.733 120.496 119.950 -0.312 0.000 2.075 118 F HA -0.083 4.444 4.527 -0.000 0.000 0.297 118 F C 1.694 177.232 175.800 -0.437 0.000 1.113 118 F CA 1.563 59.292 58.000 -0.451 0.000 1.218 118 F CB -0.819 37.753 39.000 -0.713 0.000 0.984 118 F HN 0.041 nan 8.300 nan 0.000 0.472 119 W N 0.661 121.726 121.300 -0.392 0.000 2.358 119 W HA -0.112 4.548 4.660 -0.000 0.000 0.303 119 W C 2.808 179.094 176.519 -0.389 0.000 1.208 119 W CA 1.388 58.455 57.345 -0.463 0.000 1.274 119 W CB -0.683 28.591 29.460 -0.311 0.000 1.138 119 W HN -0.063 nan 8.180 nan 0.000 0.515 120 R N 0.211 120.657 120.500 -0.090 0.000 2.091 120 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 120 R C 1.936 178.131 176.300 -0.174 0.000 1.136 120 R CA 2.223 58.248 56.100 -0.126 0.000 0.959 120 R CB -0.703 29.520 30.300 -0.129 0.000 0.856 120 R HN 0.038 nan 8.270 nan 0.000 0.437 121 T N 1.417 115.830 114.554 -0.235 0.000 2.708 121 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 121 T C 1.875 176.404 174.700 -0.284 0.000 1.037 121 T CA 1.526 63.485 62.100 -0.235 0.000 1.146 121 T CB -0.083 68.655 68.868 -0.216 0.000 0.865 121 T HN 0.183 nan 8.240 nan 0.000 0.435 122 M N 1.634 120.984 119.600 -0.416 0.000 2.089 122 M HA -0.156 4.324 4.480 -0.000 0.000 0.257 122 M C 1.891 178.067 176.300 -0.207 0.000 1.071 122 M CA 1.680 56.773 55.300 -0.344 0.000 1.096 122 M CB -1.143 31.220 32.600 -0.395 0.000 1.330 122 M HN 0.210 nan 8.290 nan 0.000 0.403 123 D N 0.391 120.691 120.400 -0.166 0.000 2.144 123 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 123 D C 1.612 177.847 176.300 -0.107 0.000 0.978 123 D CA 1.036 54.962 54.000 -0.124 0.000 0.833 123 D CB -0.355 40.384 40.800 -0.101 0.000 0.961 123 D HN 0.320 nan 8.370 nan 0.000 0.470 124 D N 0.304 120.639 120.400 -0.108 0.000 2.097 124 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 124 D C 2.187 178.472 176.300 -0.026 0.000 0.989 124 D CA 0.746 54.705 54.000 -0.069 0.000 0.827 124 D CB -0.241 40.517 40.800 -0.069 0.000 0.966 124 D HN 0.243 nan 8.370 nan 0.000 0.456 125 M N 0.240 119.794 119.600 -0.077 0.000 2.132 125 M HA -0.037 4.443 4.480 -0.000 0.000 0.263 125 M C 2.330 178.667 176.300 0.061 0.000 1.065 125 M CA 1.586 56.855 55.300 -0.052 0.000 1.122 125 M CB -0.418 31.902 32.600 -0.467 0.000 1.365 125 M HN 0.031 nan 8.290 nan 0.000 0.411 126 G N 0.212 108.988 108.800 -0.040 0.000 2.450 126 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 126 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 126 G C 1.603 176.498 174.900 -0.009 0.000 1.130 126 G CA 0.673 45.755 45.100 -0.030 0.000 0.760 126 G HN 0.411 nan 8.290 nan 0.000 0.557 127 R N 0.182 120.674 120.500 -0.013 0.000 2.285 127 R HA 0.016 4.356 4.340 -0.000 0.000 0.213 127 R C 1.483 177.787 176.300 0.006 0.000 1.068 127 R CA 0.722 56.809 56.100 -0.022 0.000 1.004 127 R CB 0.101 30.383 30.300 -0.031 0.000 0.873 127 R HN 0.315 nan 8.270 nan 0.000 0.467 128 E N 0.226 120.466 120.200 0.068 0.000 2.474 128 E HA 0.105 4.455 4.350 -0.000 0.000 0.195 128 E C 0.095 176.717 176.600 0.037 0.000 1.039 128 E CA 0.301 56.734 56.400 0.056 0.000 0.881 128 E CB 0.524 30.286 29.700 0.104 0.000 0.970 128 E HN 0.318 nan 8.360 nan 0.000 0.486 129 I N 2.919 123.524 120.570 0.059 0.000 2.354 129 I HA 0.224 4.394 4.170 -0.000 0.000 0.286 129 I C -2.458 173.656 176.117 -0.004 0.000 1.007 129 I CA -2.352 58.981 61.300 0.054 0.000 1.167 129 I CB 1.479 39.575 38.000 0.160 0.000 1.320 129 I HN -0.349 nan 8.210 nan 0.000 0.458 130 P HA 0.142 nan 4.420 nan 0.000 0.271 130 P C 0.516 177.781 177.300 -0.058 0.000 1.220 130 P CA 0.107 63.136 63.100 -0.118 0.000 0.768 130 P CB 1.004 32.579 31.700 -0.208 0.000 0.848 131 S N 1.934 117.617 115.700 -0.028 0.000 2.382 131 S HA -0.159 4.311 4.470 -0.000 0.000 0.228 131 S C 1.238 175.932 174.600 0.156 0.000 1.027 131 S CA 1.818 60.080 58.200 0.103 0.000 0.991 131 S CB -0.584 62.589 63.200 -0.045 0.000 0.823 131 S HN 0.675 nan 8.310 nan 0.000 0.469 132 D N 0.290 120.638 120.400 -0.087 0.000 2.339 132 D HA 0.270 4.910 4.640 -0.000 0.000 0.217 132 D C 0.284 176.361 176.300 -0.370 0.000 1.050 132 D CA 0.332 54.238 54.000 -0.158 0.000 0.856 132 D CB 0.107 40.750 40.800 -0.262 0.000 0.922 132 D HN 0.268 nan 8.370 nan 0.000 0.518 133 A N 1.095 123.540 122.820 -0.624 0.000 3.399 133 A HA 0.374 4.694 4.320 -0.000 0.000 0.262 133 A C -2.148 174.666 177.584 -1.283 0.000 1.145 133 A CA -0.791 50.422 52.037 -1.374 0.000 0.916 133 A CB 0.914 19.390 19.000 -0.874 0.000 1.360 133 A HN -0.123 nan 8.150 nan 0.000 0.628 134 P HA -0.176 nan 4.420 nan 0.000 0.218 134 P C 1.205 178.286 177.300 -0.364 0.000 1.148 134 P CA 1.477 64.249 63.100 -0.547 0.000 0.822 134 P CB -0.328 31.014 31.700 -0.597 0.000 0.784 135 W N 0.626 121.848 121.300 -0.131 0.000 2.848 135 W HA 0.139 4.798 4.660 -0.000 0.000 0.241 135 W C 1.244 177.715 176.519 -0.080 0.000 1.289 135 W CA 0.327 57.617 57.345 -0.092 0.000 1.396 135 W CB -1.389 28.014 29.460 -0.095 0.000 1.138 135 W HN -0.090 nan 8.180 nan 0.000 0.677 136 K N 0.802 121.009 120.400 -0.321 0.000 2.374 136 K HA 0.327 4.647 4.320 -0.000 0.000 0.196 136 K C 1.076 177.584 176.600 -0.155 0.000 1.023 136 K CA 0.128 56.307 56.287 -0.179 0.000 1.103 136 K CB 0.048 32.409 32.500 -0.232 0.000 0.848 136 K HN 0.086 nan 8.250 nan 0.000 0.528 137 A N 2.352 125.077 122.820 -0.159 0.000 2.565 137 A HA 0.036 4.356 4.320 -0.000 0.000 0.237 137 A C -1.612 175.846 177.584 -0.210 0.000 1.053 137 A CA -0.895 51.044 52.037 -0.162 0.000 0.755 137 A CB 0.016 18.938 19.000 -0.131 0.000 0.980 137 A HN 0.017 nan 8.150 nan 0.000 0.506 138 P HA -0.145 nan 4.420 nan 0.000 0.216 138 P C 0.533 177.645 177.300 -0.313 0.000 1.153 138 P CA 1.286 64.250 63.100 -0.226 0.000 0.858 138 P CB 0.027 31.607 31.700 -0.200 0.000 0.789 139 L N -2.302 118.583 121.223 -0.564 0.000 2.984 139 L HA 0.361 4.701 4.340 -0.000 0.000 0.246 139 L C 1.865 178.341 176.870 -0.656 0.000 1.268 139 L CA -0.290 54.115 54.840 -0.725 0.000 1.054 139 L CB -0.543 40.829 42.059 -1.146 0.000 1.393 139 L HN -0.106 nan 8.230 nan 0.000 0.532 140 A N 0.689 123.302 122.820 -0.344 0.000 1.884 140 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 140 A C 2.205 179.779 177.584 -0.017 0.000 1.197 140 A CA 1.875 53.842 52.037 -0.117 0.000 0.637 140 A CB -0.187 18.795 19.000 -0.029 0.000 0.827 140 A HN 0.526 nan 8.150 nan 0.000 0.450 141 E N -0.976 119.202 120.200 -0.038 0.000 2.047 141 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 141 E C 2.145 178.776 176.600 0.051 0.000 0.987 141 E CA 1.167 57.578 56.400 0.019 0.000 0.799 141 E CB -0.275 29.425 29.700 -0.000 0.000 0.752 141 E HN 0.827 nan 8.360 nan 0.000 0.449 142 E N 0.176 120.376 120.200 0.001 0.000 2.070 142 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 142 E C 1.744 178.501 176.600 0.262 0.000 1.004 142 E CA 1.309 57.755 56.400 0.078 0.000 0.805 142 E CB -0.009 29.696 29.700 0.008 0.000 0.744 142 E HN 0.294 nan 8.360 nan 0.000 0.451 143 W N 0.816 122.158 121.300 0.069 0.000 2.476 143 W HA -0.006 4.654 4.660 -0.000 0.000 0.281 143 W C 1.911 178.501 176.519 0.118 0.000 1.230 143 W CA 0.588 57.986 57.345 0.089 0.000 1.287 143 W CB -0.959 28.555 29.460 0.089 0.000 1.108 143 W HN 0.214 nan 8.180 nan 0.000 0.567 144 D N -0.134 120.462 120.400 0.326 0.000 2.224 144 D HA -0.122 4.518 4.640 -0.000 0.000 0.205 144 D C 1.116 177.541 176.300 0.209 0.000 0.965 144 D CA 0.942 55.099 54.000 0.261 0.000 0.852 144 D CB -0.219 40.708 40.800 0.212 0.000 0.947 144 D HN -0.124 nan 8.370 nan 0.000 0.494 145 N N -0.055 118.752 118.700 0.178 0.000 2.362 145 N HA 0.094 4.834 4.740 -0.000 0.000 0.211 145 N C -0.369 175.220 175.510 0.131 0.000 1.170 145 N CA 0.103 53.235 53.050 0.136 0.000 0.828 145 N CB 0.232 38.782 38.487 0.105 0.000 1.034 145 N HN 0.324 nan 8.380 nan 0.000 0.475 146 M N 0.342 120.035 119.600 0.156 0.000 2.324 146 M HA 0.180 4.660 4.480 -0.000 0.000 0.288 146 M C -0.671 175.711 176.300 0.137 0.000 1.097 146 M CA -0.535 54.845 55.300 0.134 0.000 0.928 146 M CB 1.761 34.455 32.600 0.156 0.000 1.648 146 M HN 0.049 nan 8.290 nan 0.000 0.460 147 T N 1.257 115.874 114.554 0.104 0.000 2.828 147 T HA 0.220 4.570 4.350 -0.000 0.000 0.290 147 T C 1.173 175.911 174.700 0.064 0.000 1.019 147 T CA -0.773 61.383 62.100 0.095 0.000 1.031 147 T CB 0.835 69.749 68.868 0.077 0.000 1.001 147 T HN 0.766 nan 8.240 nan 0.000 0.531 148 M N 0.487 120.109 119.600 0.036 0.000 2.202 148 M HA -0.038 4.442 4.480 -0.000 0.000 0.262 148 M C 2.137 178.411 176.300 -0.044 0.000 1.063 148 M CA 1.687 56.972 55.300 -0.025 0.000 1.097 148 M CB -1.433 31.072 32.600 -0.158 0.000 1.382 148 M HN 0.896 nan 8.290 nan 0.000 0.413 149 K N 0.771 121.150 120.400 -0.035 0.000 2.026 149 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 149 K C 1.661 178.246 176.600 -0.026 0.000 1.048 149 K CA 1.729 57.998 56.287 -0.029 0.000 0.929 149 K CB -0.107 32.406 32.500 0.020 0.000 0.713 149 K HN 0.409 nan 8.250 nan 0.000 0.439 150 E N 0.192 120.391 120.200 -0.002 0.000 2.085 150 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 150 E C 1.985 178.578 176.600 -0.011 0.000 0.994 150 E CA 1.235 57.633 56.400 -0.003 0.000 0.801 150 E CB -0.228 29.486 29.700 0.022 0.000 0.743 150 E HN 0.206 nan 8.360 nan 0.000 0.453 151 L N 1.155 122.376 121.223 -0.004 0.000 2.017 151 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 151 L C 2.093 178.956 176.870 -0.012 0.000 1.073 151 L CA 1.566 56.399 54.840 -0.010 0.000 0.745 151 L CB -0.384 41.665 42.059 -0.017 0.000 0.894 151 L HN 0.127 nan 8.230 nan 0.000 0.432 152 L N -0.898 120.305 121.223 -0.033 0.000 2.046 152 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 152 L C 2.273 179.072 176.870 -0.119 0.000 1.077 152 L CA 1.376 56.160 54.840 -0.094 0.000 0.747 152 L CB -0.997 40.961 42.059 -0.169 0.000 0.896 152 L HN 0.271 nan 8.230 nan 0.000 0.432 153 D N 0.446 120.784 120.400 -0.105 0.000 2.123 153 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 153 D C 2.213 178.424 176.300 -0.149 0.000 0.992 153 D CA 1.311 55.235 54.000 -0.127 0.000 0.833 153 D CB -0.042 40.697 40.800 -0.102 0.000 0.954 153 D HN 0.298 nan 8.370 nan 0.000 0.455 154 K N -0.411 119.933 120.400 -0.094 0.000 2.103 154 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 154 K C 1.882 178.464 176.600 -0.030 0.000 1.052 154 K CA 0.393 56.636 56.287 -0.073 0.000 0.945 154 K CB 0.078 32.569 32.500 -0.014 0.000 0.722 154 K HN 0.013 nan 8.250 nan 0.000 0.443 155 L N 0.439 121.666 121.223 0.007 0.000 2.168 155 L HA 0.014 4.354 4.340 -0.000 0.000 0.203 155 L C 0.325 177.282 176.870 0.145 0.000 1.078 155 L CA 0.915 55.816 54.840 0.102 0.000 0.780 155 L CB 0.160 42.290 42.059 0.119 0.000 0.939 155 L HN 0.085 nan 8.230 nan 0.000 0.451 156 C N -0.472 118.821 119.300 -0.012 0.000 2.349 156 C HA 0.095 4.555 4.460 -0.000 0.000 0.348 156 C C 0.926 175.903 174.990 -0.021 0.000 1.223 156 C CA -0.918 58.069 59.018 -0.052 0.000 1.746 156 C CB -1.282 26.310 27.740 -0.248 0.000 2.360 156 C HN 0.540 nan 8.230 nan 0.000 0.533 157 W N 1.913 123.156 121.300 -0.095 0.000 3.139 157 W HA 0.115 4.775 4.660 -0.000 0.000 0.260 157 W C 1.402 177.888 176.519 -0.055 0.000 1.312 157 W CA 0.156 57.464 57.345 -0.061 0.000 1.606 157 W CB -0.117 29.320 29.460 -0.038 0.000 1.118 157 W HN 0.666 nan 8.180 nan 0.000 0.675 158 T N -3.570 111.042 114.554 0.095 0.000 2.887 158 T HA 0.290 4.640 4.350 -0.000 0.000 0.288 158 T C 0.798 175.481 174.700 -0.029 0.000 1.021 158 T CA -0.660 61.468 62.100 0.047 0.000 1.000 158 T CB 2.566 71.482 68.868 0.081 0.000 1.034 158 T HN -0.210 nan 8.240 nan 0.000 0.467 159 E N 1.061 121.251 120.200 -0.016 0.000 2.150 159 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 159 E C 2.106 178.690 176.600 -0.026 0.000 0.985 159 E CA 1.162 57.541 56.400 -0.035 0.000 0.814 159 E CB -0.261 29.430 29.700 -0.014 0.000 0.752 159 E HN 0.742 nan 8.360 nan 0.000 0.466 160 S N 0.568 116.284 115.700 0.027 0.000 2.356 160 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 160 S C 2.094 176.704 174.600 0.017 0.000 1.032 160 S CA 1.408 59.671 58.200 0.105 0.000 1.005 160 S CB -0.036 63.290 63.200 0.211 0.000 0.867 160 S HN 0.278 nan 8.310 nan 0.000 0.449 161 A N 1.142 123.825 122.820 -0.228 0.000 1.930 161 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 161 A C 2.184 179.417 177.584 -0.586 0.000 1.175 161 A CA 1.630 53.202 52.037 -0.776 0.000 0.627 161 A CB -0.624 17.911 19.000 -0.775 0.000 0.815 161 A HN 0.632 nan 8.150 nan 0.000 0.443 162 K N -0.502 119.674 120.400 -0.374 0.000 2.097 162 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 162 K C 2.213 178.675 176.600 -0.230 0.000 1.050 162 K CA 1.435 57.518 56.287 -0.340 0.000 0.938 162 K CB -0.165 32.200 32.500 -0.225 0.000 0.718 162 K HN 0.627 nan 8.250 nan 0.000 0.442 163 Q N 0.407 120.133 119.800 -0.123 0.000 2.020 163 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 163 Q C 2.124 178.136 176.000 0.019 0.000 0.982 163 Q CA 1.493 57.283 55.803 -0.022 0.000 0.838 163 Q CB -0.130 28.634 28.738 0.042 0.000 0.899 163 Q HN 0.198 nan 8.270 nan 0.000 0.423 164 L N 0.447 121.683 121.223 0.022 0.000 2.083 164 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 164 L C 2.109 179.040 176.870 0.102 0.000 1.083 164 L CA 1.960 56.880 54.840 0.133 0.000 0.752 164 L CB -0.734 41.464 42.059 0.232 0.000 0.899 164 L HN 0.155 nan 8.230 nan 0.000 0.433 165 A N -1.938 120.747 122.820 -0.226 0.000 1.930 165 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 165 A C 2.246 179.822 177.584 -0.013 0.000 1.175 165 A CA 2.088 53.934 52.037 -0.319 0.000 0.627 165 A CB -1.016 17.265 19.000 -1.197 0.000 0.815 165 A HN 0.484 nan 8.150 nan 0.000 0.443 166 T N 0.111 114.620 114.554 -0.074 0.000 2.737 166 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 166 T C 1.875 176.601 174.700 0.045 0.000 1.038 166 T CA 1.326 63.403 62.100 -0.039 0.000 1.144 166 T CB -0.388 68.451 68.868 -0.048 0.000 0.866 166 T HN 0.402 nan 8.240 nan 0.000 0.434 167 L N 0.264 121.558 121.223 0.118 0.000 2.042 167 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 167 L C 2.249 179.243 176.870 0.207 0.000 1.076 167 L CA 1.547 56.487 54.840 0.167 0.000 0.749 167 L CB -0.398 41.792 42.059 0.218 0.000 0.893 167 L HN 0.221 nan 8.230 nan 0.000 0.432 168 F N -0.189 119.854 119.950 0.155 0.000 2.091 168 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 168 F C 2.092 178.017 175.800 0.208 0.000 1.103 168 F CA 2.175 60.318 58.000 0.240 0.000 1.228 168 F CB -0.634 38.661 39.000 0.493 0.000 0.984 168 F HN -0.122 nan 8.300 nan 0.000 0.477 169 V N 1.103 121.004 119.914 -0.023 0.000 2.295 169 V HA -0.361 3.759 4.120 -0.000 0.000 0.246 169 V C 2.022 177.994 176.094 -0.204 0.000 1.049 169 V CA 2.480 64.581 62.300 -0.332 0.000 1.024 169 V CB -1.103 30.405 31.823 -0.525 0.000 0.648 169 V HN 0.423 nan 8.190 nan 0.000 0.447 170 N N 0.178 118.806 118.700 -0.119 0.000 2.104 170 N HA -0.223 4.517 4.740 -0.000 0.000 0.190 170 N C 1.764 177.227 175.510 -0.078 0.000 1.024 170 N CA 1.382 54.377 53.050 -0.091 0.000 0.853 170 N CB -0.247 38.231 38.487 -0.015 0.000 1.008 170 N HN 0.349 nan 8.380 nan 0.000 0.424 171 L N 0.762 121.962 121.223 -0.038 0.000 2.109 171 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 171 L C 1.995 178.867 176.870 0.004 0.000 1.086 171 L CA 1.430 56.255 54.840 -0.026 0.000 0.760 171 L CB -0.456 41.569 42.059 -0.056 0.000 0.910 171 L HN 0.232 nan 8.230 nan 0.000 0.437 172 C N -1.406 117.859 119.300 -0.058 0.000 2.446 172 C HA -0.018 4.442 4.460 -0.000 0.000 0.277 172 C C 2.219 177.299 174.990 0.150 0.000 1.275 172 C CA 0.932 59.980 59.018 0.051 0.000 1.727 172 C CB -0.566 27.124 27.740 -0.083 0.000 2.010 172 C HN 0.572 nan 8.230 nan 0.000 0.486 173 V N -2.022 117.889 119.914 -0.006 0.000 3.252 173 V HA 0.300 4.420 4.120 -0.000 0.000 0.320 173 V C 0.745 176.681 176.094 -0.263 0.000 1.459 173 V CA 0.764 63.015 62.300 -0.081 0.000 1.095 173 V CB -1.352 30.544 31.823 0.120 0.000 0.997 173 V HN 0.527 nan 8.190 nan 0.000 0.469 174 T N -1.326 113.005 114.554 -0.372 0.000 3.708 174 T HA -0.069 4.281 4.350 -0.000 0.000 0.375 174 T C 0.104 174.624 174.700 -0.299 0.000 0.763 174 T CA 1.309 63.176 62.100 -0.388 0.000 1.915 174 T CB -2.565 65.941 68.868 -0.604 0.000 1.783 174 T HN 2.471 nan 8.240 nan 0.000 0.734 175 A N -0.177 122.456 122.820 -0.311 0.000 2.606 175 A HA 0.710 5.030 4.320 -0.000 0.000 0.293 175 A C -0.428 176.935 177.584 -0.367 0.000 1.082 175 A CA -1.065 50.714 52.037 -0.431 0.000 0.685 175 A CB 1.223 19.730 19.000 -0.823 0.000 1.284 175 A HN 0.350 nan 8.150 nan 0.000 0.408 176 E N 0.677 120.621 120.200 -0.425 0.000 2.373 176 E HA 0.220 4.570 4.350 -0.000 0.000 0.263 176 E C 1.327 177.620 176.600 -0.512 0.000 1.073 176 E CA 0.558 56.672 56.400 -0.477 0.000 0.894 176 E CB 0.806 30.034 29.700 -0.787 0.000 1.008 176 E HN 0.813 nan 8.360 nan 0.000 0.420 177 T N -1.123 113.204 114.554 -0.379 0.000 2.759 177 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 177 T C 1.450 176.026 174.700 -0.207 0.000 1.042 177 T CA 1.745 63.681 62.100 -0.273 0.000 1.140 177 T CB -0.411 68.351 68.868 -0.177 0.000 0.864 177 T HN 0.639 nan 8.240 nan 0.000 0.455 178 H N 0.587 119.600 119.070 -0.096 0.000 2.555 178 H HA 0.247 4.803 4.556 -0.000 0.000 0.269 178 H C 1.481 176.784 175.328 -0.041 0.000 0.988 178 H CA 0.850 56.861 56.048 -0.060 0.000 1.178 178 H CB -0.201 29.523 29.762 -0.063 0.000 1.373 178 H HN 0.506 nan 8.280 nan 0.000 0.588 179 E N 1.326 121.348 120.200 -0.296 0.000 2.318 179 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 179 E C 0.755 177.345 176.600 -0.017 0.000 0.998 179 E CA 0.393 56.710 56.400 -0.138 0.000 0.859 179 E CB 0.844 30.334 29.700 -0.350 0.000 0.812 179 E HN 0.362 nan 8.360 nan 0.000 0.492 180 V N -1.080 118.810 119.914 -0.040 0.000 2.667 180 V HA 0.427 4.547 4.120 -0.000 0.000 0.308 180 V C -0.018 176.213 176.094 0.228 0.000 1.048 180 V CA -1.169 61.209 62.300 0.130 0.000 0.928 180 V CB 1.854 33.780 31.823 0.171 0.000 1.004 180 V HN -0.030 nan 8.190 nan 0.000 0.444 181 S N 3.354 119.262 115.700 0.348 0.000 2.549 181 S HA 0.437 4.907 4.470 -0.000 0.000 0.286 181 S C 1.437 176.284 174.600 0.412 0.000 1.314 181 S CA 0.204 58.622 58.200 0.365 0.000 1.062 181 S CB 0.943 64.395 63.200 0.419 0.000 0.865 181 S HN 1.772 nan 8.310 nan 0.000 0.498 182 A N 4.849 127.848 122.820 0.298 0.000 1.902 182 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 182 A C 2.023 179.787 177.584 0.300 0.000 1.181 182 A CA 1.565 53.753 52.037 0.250 0.000 0.623 182 A CB -0.915 18.163 19.000 0.129 0.000 0.818 182 A HN 0.965 nan 8.150 nan 0.000 0.443 183 L N -1.462 119.983 121.223 0.369 0.000 2.012 183 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 183 L C 2.223 179.325 176.870 0.387 0.000 1.073 183 L CA 2.541 57.626 54.840 0.408 0.000 0.748 183 L CB -0.740 41.558 42.059 0.399 0.000 0.891 183 L HN 0.660 nan 8.230 nan 0.000 0.431 184 W N -0.612 120.858 121.300 0.282 0.000 2.355 184 W HA -0.275 4.385 4.660 -0.000 0.000 0.309 184 W C 2.335 179.132 176.519 0.464 0.000 1.206 184 W CA 1.863 59.396 57.345 0.313 0.000 1.284 184 W CB -0.649 28.974 29.460 0.272 0.000 1.145 184 W HN 0.282 nan 8.180 nan 0.000 0.502 185 F N 0.663 120.680 119.950 0.113 0.000 2.186 185 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 185 F C 1.985 177.722 175.800 -0.105 0.000 1.090 185 F CA 1.920 59.816 58.000 -0.174 0.000 1.307 185 F CB -0.524 38.515 39.000 0.065 0.000 1.019 185 F HN -0.171 nan 8.300 nan 0.000 0.489 186 L N -1.455 119.782 121.223 0.023 0.000 2.156 186 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 186 L C 2.225 179.023 176.870 -0.119 0.000 1.095 186 L CA 1.286 56.079 54.840 -0.079 0.000 0.770 186 L CB -0.921 41.123 42.059 -0.026 0.000 0.914 186 L HN 0.416 nan 8.230 nan 0.000 0.439 187 W N 0.010 121.186 121.300 -0.207 0.000 2.381 187 W HA -0.287 4.373 4.660 -0.000 0.000 0.301 187 W C 2.588 178.904 176.519 -0.338 0.000 1.205 187 W CA 1.348 58.556 57.345 -0.229 0.000 1.285 187 W CB -0.555 28.797 29.460 -0.180 0.000 1.133 187 W HN 0.105 nan 8.180 nan 0.000 0.521 188 Y N 0.641 120.476 120.300 -0.775 0.000 2.165 188 Y HA -0.278 4.272 4.550 -0.000 0.000 0.286 188 Y C 2.331 177.687 175.900 -0.907 0.000 1.155 188 Y CA 2.947 60.395 58.100 -1.087 0.000 1.164 188 Y CB -0.733 37.068 38.460 -1.099 0.000 0.978 188 Y HN -0.137 nan 8.280 nan 0.000 0.513 189 V N 0.858 120.363 119.914 -0.681 0.000 2.270 189 V HA -0.280 3.839 4.120 -0.000 0.000 0.245 189 V C 2.500 178.262 176.094 -0.554 0.000 1.043 189 V CA 2.144 64.111 62.300 -0.556 0.000 1.014 189 V CB -0.727 30.852 31.823 -0.406 0.000 0.645 189 V HN 0.299 nan 8.190 nan 0.000 0.447 190 K N 1.085 121.189 120.400 -0.493 0.000 2.059 190 K HA -0.301 4.019 4.320 -0.000 0.000 0.212 190 K C 2.158 178.427 176.600 -0.551 0.000 1.050 190 K CA 2.622 58.652 56.287 -0.430 0.000 0.927 190 K CB -0.274 32.035 32.500 -0.317 0.000 0.714 190 K HN 0.731 nan 8.250 nan 0.000 0.447 191 Q N -0.768 118.557 119.800 -0.791 0.000 2.472 191 Q HA -0.006 4.334 4.340 -0.000 0.000 0.208 191 Q C 1.578 177.072 176.000 -0.843 0.000 0.958 191 Q CA 1.078 56.419 55.803 -0.770 0.000 0.932 191 Q CB -0.514 27.596 28.738 -1.045 0.000 1.007 191 Q HN 0.185 nan 8.270 nan 0.000 0.508 192 C N 0.204 118.850 119.300 -1.089 0.000 2.697 192 C HA 0.581 5.041 4.460 -0.000 0.000 0.267 192 C C 1.589 175.836 174.990 -1.239 0.000 1.278 192 C CA 0.221 58.223 59.018 -1.693 0.000 1.708 192 C CB -1.005 25.748 27.740 -1.644 0.000 1.860 192 C HN 0.838 nan 8.230 nan 0.000 0.589 193 G N 0.095 108.496 108.800 -0.665 0.000 2.157 193 G HA2 0.263 4.223 3.960 -0.000 0.000 0.239 193 G HA3 0.263 4.223 3.960 -0.000 0.000 0.239 193 G C 0.469 175.194 174.900 -0.292 0.000 0.982 193 G CA 0.043 44.918 45.100 -0.375 0.000 0.650 193 G HN 1.666 nan 8.290 nan 0.000 0.527 194 G N -2.240 106.361 108.800 -0.331 0.000 2.603 194 G HA2 0.342 4.302 3.960 -0.000 0.000 0.686 194 G HA3 0.342 4.302 3.960 -0.000 0.000 0.686 194 G C 0.984 175.796 174.900 -0.146 0.000 1.286 194 G CA 0.911 45.884 45.100 -0.212 0.000 0.871 194 G HN 1.821 nan 8.290 nan 0.000 0.568 195 T N -2.707 111.806 114.554 -0.068 0.000 2.684 195 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 195 T C 2.360 176.996 174.700 -0.106 0.000 1.036 195 T CA 2.965 65.055 62.100 -0.018 0.000 1.148 195 T CB -0.840 68.017 68.868 -0.019 0.000 0.863 195 T HN 0.981 nan 8.240 nan 0.000 0.436 196 T N 1.383 115.873 114.554 -0.107 0.000 2.708 196 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 196 T C 2.127 176.762 174.700 -0.108 0.000 1.037 196 T CA 1.542 63.566 62.100 -0.126 0.000 1.146 196 T CB -0.329 68.507 68.868 -0.054 0.000 0.865 196 T HN 0.302 nan 8.240 nan 0.000 0.435 197 R N 0.908 121.360 120.500 -0.080 0.000 2.081 197 R HA 0.131 4.471 4.340 -0.000 0.000 0.235 197 R C 2.214 178.525 176.300 0.019 0.000 1.131 197 R CA 1.139 57.221 56.100 -0.031 0.000 0.960 197 R CB -0.856 29.409 30.300 -0.058 0.000 0.856 197 R HN 0.469 nan 8.270 nan 0.000 0.436 198 I N 0.275 120.815 120.570 -0.050 0.000 2.315 198 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 198 I C 1.679 177.840 176.117 0.072 0.000 1.117 198 I CA 1.336 62.648 61.300 0.019 0.000 1.404 198 I CB 0.060 38.029 38.000 -0.052 0.000 1.071 198 I HN 0.339 nan 8.210 nan 0.000 0.419 199 I N -2.652 117.919 120.570 0.001 0.000 3.427 199 I HA 0.135 4.305 4.170 -0.000 0.000 0.288 199 I C 0.868 176.919 176.117 -0.109 0.000 1.249 199 I CA -0.042 61.219 61.300 -0.066 0.000 1.421 199 I CB -0.137 37.748 38.000 -0.191 0.000 1.086 199 I HN -0.098 nan 8.210 nan 0.000 0.448 200 S N 1.372 117.013 115.700 -0.098 0.000 2.584 200 S HA 0.259 4.729 4.470 -0.000 0.000 0.273 200 S C 0.978 175.545 174.600 -0.055 0.000 1.311 200 S CA -0.233 57.914 58.200 -0.088 0.000 1.034 200 S CB 1.632 64.783 63.200 -0.082 0.000 0.939 200 S HN 0.308 nan 8.310 nan 0.000 0.513 201 T N 2.218 116.741 114.554 -0.052 0.000 2.764 201 T HA 0.010 4.360 4.350 -0.000 0.000 0.243 201 T C 0.604 175.272 174.700 -0.053 0.000 1.065 201 T CA 0.681 62.743 62.100 -0.063 0.000 1.219 201 T CB -0.420 68.412 68.868 -0.060 0.000 0.918 201 T HN 0.627 nan 8.240 nan 0.000 0.409 202 T N 3.564 118.094 114.554 -0.039 0.000 2.831 202 T HA 0.103 4.453 4.350 -0.000 0.000 0.291 202 T C 0.740 175.423 174.700 -0.028 0.000 0.981 202 T CA 0.389 62.472 62.100 -0.029 0.000 1.174 202 T CB -0.164 68.694 68.868 -0.016 0.000 0.929 202 T HN 0.522 nan 8.240 nan 0.000 0.532 203 N N 0.714 119.398 118.700 -0.027 0.000 2.800 203 N HA -0.147 4.593 4.740 -0.000 0.000 0.250 203 N C 0.172 175.674 175.510 -0.013 0.000 1.078 203 N CA 1.471 54.509 53.050 -0.019 0.000 0.804 203 N CB -1.075 37.406 38.487 -0.010 0.000 1.135 203 N HN 0.957 nan 8.380 nan 0.000 0.565 204 G N -3.065 105.720 108.800 -0.025 0.000 3.086 204 G HA2 0.569 4.529 3.960 -0.000 0.000 0.282 204 G HA3 0.569 4.529 3.960 -0.000 0.000 0.282 204 G C 0.993 175.871 174.900 -0.037 0.000 1.343 204 G CA -0.022 45.080 45.100 0.002 0.000 0.895 204 G HN 0.303 nan 8.290 nan 0.000 0.557 205 G N -0.944 107.863 108.800 0.012 0.000 2.479 205 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.220 205 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.220 205 G C 1.137 175.979 174.900 -0.096 0.000 1.115 205 G CA 0.998 46.022 45.100 -0.127 0.000 0.757 205 G HN 0.410 nan 8.290 nan 0.000 0.560 206 Q N -0.506 119.239 119.800 -0.091 0.000 2.189 206 Q HA 0.286 4.626 4.340 -0.000 0.000 0.221 206 Q C 1.604 177.534 176.000 -0.116 0.000 0.848 206 Q CA -0.154 55.546 55.803 -0.171 0.000 1.007 206 Q CB 0.748 29.288 28.738 -0.330 0.000 1.116 206 Q HN 0.595 nan 8.270 nan 0.000 0.481 207 E N 0.554 120.697 120.200 -0.095 0.000 2.077 207 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 207 E C -0.017 176.524 176.600 -0.098 0.000 0.989 207 E CA 0.853 57.201 56.400 -0.087 0.000 0.800 207 E CB 0.432 30.077 29.700 -0.091 0.000 0.746 207 E HN 0.162 nan 8.360 nan 0.000 0.452 208 R N -0.816 119.603 120.500 -0.135 0.000 2.836 208 R HA 0.426 4.766 4.340 -0.000 0.000 0.269 208 R C -0.914 175.167 176.300 -0.365 0.000 1.010 208 R CA -0.762 55.176 56.100 -0.270 0.000 0.930 208 R CB 1.991 32.108 30.300 -0.305 0.000 1.218 208 R HN -0.159 nan 8.270 nan 0.000 0.473 209 K N 0.991 121.001 120.400 -0.650 0.000 2.395 209 K HA 0.414 4.734 4.320 -0.000 0.000 0.245 209 K C -0.931 175.310 176.600 -0.600 0.000 1.017 209 K CA -0.782 55.103 56.287 -0.670 0.000 0.852 209 K CB 1.591 33.739 32.500 -0.587 0.000 1.311 209 K HN 0.266 nan 8.250 nan 0.000 0.452 210 F N 1.081 120.951 119.950 -0.133 0.000 2.427 210 F HA 0.108 4.635 4.527 -0.000 0.000 0.352 210 F C 0.696 176.552 175.800 0.093 0.000 1.100 210 F CA -0.965 57.016 58.000 -0.032 0.000 1.191 210 F CB 0.956 39.918 39.000 -0.065 0.000 1.128 210 F HN 0.014 nan 8.300 nan 0.000 0.533 211 V N 3.872 123.997 119.914 0.352 0.000 2.493 211 V HA 0.195 4.315 4.120 -0.000 0.000 0.292 211 V C 0.971 177.000 176.094 -0.107 0.000 1.016 211 V CA 1.302 63.739 62.300 0.229 0.000 1.097 211 V CB 0.130 32.061 31.823 0.179 0.000 0.947 211 V HN 1.115 nan 8.190 nan 0.000 0.479 212 G N 3.310 111.716 108.800 -0.657 0.000 2.195 212 G HA2 0.131 4.091 3.960 -0.000 0.000 0.246 212 G HA3 0.131 4.091 3.960 -0.000 0.000 0.246 212 G C 0.797 175.167 174.900 -0.884 0.000 0.984 212 G CA -0.056 44.349 45.100 -1.158 0.000 0.633 212 G HN 2.438 nan 8.290 nan 0.000 0.525 213 G N -1.489 107.089 108.800 -0.370 0.000 2.650 213 G HA2 0.377 4.337 3.960 -0.000 0.000 0.686 213 G HA3 0.377 4.337 3.960 -0.000 0.000 0.686 213 G C 0.784 175.694 174.900 0.016 0.000 1.205 213 G CA 0.849 45.916 45.100 -0.056 0.000 0.781 213 G HN 1.875 nan 8.290 nan 0.000 0.648 214 S N -0.030 115.734 115.700 0.107 0.000 2.461 214 S HA 0.151 4.621 4.470 -0.000 0.000 0.228 214 S C 2.499 177.092 174.600 -0.012 0.000 1.005 214 S CA 1.581 59.850 58.200 0.115 0.000 0.942 214 S CB 0.048 63.373 63.200 0.208 0.000 0.776 214 S HN 2.166 nan 8.310 nan 0.000 0.514 215 G N 1.295 110.096 108.800 0.002 0.000 2.501 215 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.220 215 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.220 215 G C 1.415 176.287 174.900 -0.047 0.000 1.114 215 G CA 0.546 45.649 45.100 0.005 0.000 0.757 215 G HN 0.639 nan 8.290 nan 0.000 0.559 216 Q N -0.281 119.456 119.800 -0.105 0.000 2.291 216 Q HA -0.005 4.335 4.340 -0.000 0.000 0.205 216 Q C 2.699 178.606 176.000 -0.155 0.000 0.970 216 Q CA 0.700 56.423 55.803 -0.134 0.000 0.876 216 Q CB -0.063 28.572 28.738 -0.172 0.000 0.935 216 Q HN 0.422 nan 8.270 nan 0.000 0.455 217 V N 0.224 120.020 119.914 -0.197 0.000 2.255 217 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 217 V C 2.091 178.122 176.094 -0.105 0.000 1.051 217 V CA 2.137 64.322 62.300 -0.192 0.000 1.018 217 V CB -0.532 31.162 31.823 -0.215 0.000 0.641 217 V HN 0.290 nan 8.190 nan 0.000 0.445 218 S N -0.797 114.865 115.700 -0.063 0.000 2.387 218 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 218 S C 1.915 176.494 174.600 -0.035 0.000 1.026 218 S CA 1.251 59.431 58.200 -0.033 0.000 0.972 218 S CB -0.216 62.986 63.200 0.003 0.000 0.814 218 S HN 0.682 nan 8.310 nan 0.000 0.477 219 E N 1.122 121.300 120.200 -0.036 0.000 2.077 219 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 219 E C 2.321 178.890 176.600 -0.050 0.000 0.989 219 E CA 0.894 57.273 56.400 -0.035 0.000 0.800 219 E CB -0.071 29.609 29.700 -0.033 0.000 0.746 219 E HN 0.348 nan 8.360 nan 0.000 0.452 220 R N 0.206 120.665 120.500 -0.068 0.000 2.115 220 R HA -0.023 4.317 4.340 -0.000 0.000 0.226 220 R C 2.333 178.593 176.300 -0.068 0.000 1.100 220 R CA 0.825 56.883 56.100 -0.070 0.000 0.980 220 R CB -0.157 30.092 30.300 -0.086 0.000 0.875 220 R HN 0.230 nan 8.270 nan 0.000 0.445 221 I N 0.600 121.128 120.570 -0.069 0.000 2.353 221 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 221 I C 2.649 178.718 176.117 -0.079 0.000 1.119 221 I CA 1.043 62.301 61.300 -0.071 0.000 1.417 221 I CB -0.167 37.796 38.000 -0.062 0.000 1.078 221 I HN 0.188 nan 8.210 nan 0.000 0.421 222 M N 0.923 120.485 119.600 -0.064 0.000 2.108 222 M HA -0.253 4.227 4.480 -0.000 0.000 0.261 222 M C 1.673 177.935 176.300 -0.064 0.000 1.066 222 M CA 1.965 57.228 55.300 -0.061 0.000 1.107 222 M CB -0.210 32.365 32.600 -0.042 0.000 1.356 222 M HN 0.147 nan 8.290 nan 0.000 0.406 223 D N 0.730 121.096 120.400 -0.057 0.000 2.104 223 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 223 D C 2.019 178.281 176.300 -0.064 0.000 0.994 223 D CA 1.524 55.493 54.000 -0.052 0.000 0.830 223 D CB -0.577 40.197 40.800 -0.045 0.000 0.959 223 D HN 0.436 nan 8.370 nan 0.000 0.452 224 L N -0.024 121.150 121.223 -0.081 0.000 2.131 224 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 224 L C 2.349 179.106 176.870 -0.188 0.000 1.092 224 L CA 0.689 55.465 54.840 -0.106 0.000 0.759 224 L CB -0.257 41.740 42.059 -0.104 0.000 0.903 224 L HN 0.027 nan 8.230 nan 0.000 0.435 225 L N -1.269 119.836 121.223 -0.197 0.000 2.477 225 L HA 0.188 4.528 4.340 -0.000 0.000 0.220 225 L C 1.706 178.493 176.870 -0.138 0.000 1.106 225 L CA 0.369 55.055 54.840 -0.258 0.000 0.851 225 L CB -0.511 41.419 42.059 -0.216 0.000 0.994 225 L HN 0.410 nan 8.230 nan 0.000 0.462 226 G N 1.930 110.678 108.800 -0.087 0.000 2.629 226 G HA2 -0.454 3.506 3.960 -0.000 0.000 0.313 226 G HA3 -0.454 3.506 3.960 -0.000 0.000 0.313 226 G C 0.701 175.581 174.900 -0.033 0.000 1.217 226 G CA 0.542 45.614 45.100 -0.046 0.000 0.994 226 G HN 0.494 nan 8.290 nan 0.000 0.549 227 D N 1.123 121.514 120.400 -0.015 0.000 2.363 227 D HA -0.005 4.635 4.640 -0.000 0.000 0.220 227 D C 2.128 178.431 176.300 0.004 0.000 0.994 227 D CA 0.873 54.873 54.000 -0.000 0.000 0.890 227 D CB -0.330 40.478 40.800 0.013 0.000 0.906 227 D HN 0.630 nan 8.370 nan 0.000 0.530 228 R N 0.098 120.592 120.500 -0.010 0.000 2.237 228 R HA 0.065 4.405 4.340 -0.000 0.000 0.219 228 R C 0.389 176.670 176.300 -0.032 0.000 1.080 228 R CA 0.267 56.362 56.100 -0.009 0.000 0.995 228 R CB 0.208 30.496 30.300 -0.019 0.000 0.875 228 R HN 0.075 nan 8.270 nan 0.000 0.462 229 V N 2.582 122.472 119.914 -0.041 0.000 2.407 229 V HA 0.147 4.267 4.120 -0.000 0.000 0.278 229 V C -0.111 175.956 176.094 -0.045 0.000 1.037 229 V CA -0.529 61.740 62.300 -0.053 0.000 0.900 229 V CB 1.499 33.291 31.823 -0.051 0.000 0.983 229 V HN 0.036 nan 8.190 nan 0.000 0.459 230 K N 6.356 126.714 120.400 -0.070 0.000 2.389 230 K HA 0.545 4.865 4.320 -0.000 0.000 0.261 230 K C -0.785 175.775 176.600 -0.066 0.000 1.014 230 K CA -0.351 55.903 56.287 -0.056 0.000 0.920 230 K CB 1.997 34.450 32.500 -0.078 0.000 1.149 230 K HN 0.500 nan 8.250 nan 0.000 0.444 231 L N 1.653 122.850 121.223 -0.044 0.000 2.399 231 L HA 0.172 4.512 4.340 -0.000 0.000 0.266 231 L C 0.678 177.515 176.870 -0.054 0.000 1.114 231 L CA -0.151 54.658 54.840 -0.051 0.000 0.804 231 L CB 0.246 42.285 42.059 -0.032 0.000 1.146 231 L HN 0.710 nan 8.230 nan 0.000 0.451 232 E N 0.654 120.807 120.200 -0.078 0.000 2.389 232 E HA -0.230 4.120 4.350 -0.000 0.000 0.243 232 E C -0.517 176.036 176.600 -0.079 0.000 1.154 232 E CA 0.299 56.649 56.400 -0.082 0.000 0.723 232 E CB -0.743 28.929 29.700 -0.046 0.000 1.261 232 E HN 0.359 nan 8.360 nan 0.000 0.390 233 R N 0.208 120.645 120.500 -0.104 0.000 2.860 233 R HA 0.244 4.584 4.340 -0.000 0.000 0.282 233 R C -2.685 173.538 176.300 -0.129 0.000 1.408 233 R CA -2.019 54.028 56.100 -0.089 0.000 1.636 233 R CB 0.541 30.789 30.300 -0.086 0.000 1.187 233 R HN -0.006 nan 8.270 nan 0.000 0.611 234 P HA 0.011 nan 4.420 nan 0.000 0.271 234 P C -0.281 176.988 177.300 -0.052 0.000 1.226 234 P CA -0.144 62.863 63.100 -0.155 0.000 0.765 234 P CB 0.903 32.529 31.700 -0.123 0.000 0.835 235 V N 5.525 125.416 119.914 -0.038 0.000 2.555 235 V HA 0.060 4.180 4.120 -0.000 0.000 0.286 235 V C 1.738 177.852 176.094 0.033 0.000 1.044 235 V CA 0.400 62.697 62.300 -0.005 0.000 1.026 235 V CB 0.372 32.180 31.823 -0.026 0.000 0.981 235 V HN 0.545 nan 8.190 nan 0.000 0.480 236 I N 1.620 122.224 120.570 0.055 0.000 4.323 236 I HA 0.441 4.611 4.170 -0.000 0.000 0.328 236 I C -0.040 176.169 176.117 0.154 0.000 1.310 236 I CA 0.117 61.478 61.300 0.103 0.000 1.186 236 I CB 0.654 38.699 38.000 0.075 0.000 1.130 236 I HN 0.508 nan 8.210 nan 0.000 0.411 237 Y N 2.049 122.296 120.300 -0.087 0.000 2.348 237 Y HA 0.644 5.194 4.550 -0.000 0.000 0.321 237 Y C -1.887 173.932 175.900 -0.135 0.000 1.163 237 Y CA -1.529 56.502 58.100 -0.115 0.000 1.070 237 Y CB 1.502 39.930 38.460 -0.055 0.000 1.250 237 Y HN 0.002 nan 8.280 nan 0.000 0.425 238 I N 6.029 126.169 120.570 -0.717 0.000 2.410 238 I HA 0.281 4.451 4.170 -0.000 0.000 0.286 238 I C -1.084 174.654 176.117 -0.632 0.000 1.009 238 I CA -0.657 60.306 61.300 -0.562 0.000 1.111 238 I CB 1.569 39.392 38.000 -0.294 0.000 1.262 238 I HN 0.519 nan 8.210 nan 0.000 0.443 239 D N 6.120 126.187 120.400 -0.556 0.000 2.349 239 D HA 0.243 4.882 4.640 -0.000 0.000 0.232 239 D C -0.027 176.208 176.300 -0.108 0.000 1.071 239 D CA -0.093 53.712 54.000 -0.323 0.000 0.832 239 D CB 1.627 42.294 40.800 -0.222 0.000 1.086 239 D HN 0.539 nan 8.370 nan 0.000 0.504 240 Q N 1.466 121.242 119.800 -0.039 0.000 2.194 240 Q HA 0.041 4.381 4.340 -0.000 0.000 0.214 240 Q C 1.433 177.435 176.000 0.003 0.000 0.838 240 Q CA 0.023 55.821 55.803 -0.008 0.000 0.972 240 Q CB 0.819 29.568 28.738 0.018 0.000 1.131 240 Q HN 0.572 nan 8.270 nan 0.000 0.498 241 T N -2.177 112.384 114.554 0.012 0.000 2.995 241 T HA 0.038 4.388 4.350 -0.000 0.000 0.269 241 T C 1.050 175.758 174.700 0.013 0.000 1.091 241 T CA 0.449 62.561 62.100 0.021 0.000 1.128 241 T CB 0.250 69.141 68.868 0.038 0.000 0.891 241 T HN 0.046 nan 8.240 nan 0.000 0.492 242 R N 0.191 120.694 120.500 0.006 0.000 2.867 242 R HA 0.468 4.808 4.340 -0.000 0.000 0.227 242 R C 1.706 177.998 176.300 -0.013 0.000 1.372 242 R CA -0.654 55.447 56.100 0.001 0.000 1.083 242 R CB 0.568 30.872 30.300 0.006 0.000 1.596 242 R HN 0.131 nan 8.270 nan 0.000 0.522 243 E N 0.677 120.868 120.200 -0.016 0.000 2.031 243 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 243 E C -0.290 176.280 176.600 -0.049 0.000 0.994 243 E CA 1.163 57.546 56.400 -0.028 0.000 0.800 243 E CB 0.135 29.821 29.700 -0.022 0.000 0.752 243 E HN 0.295 nan 8.360 nan 0.000 0.447 244 N N 0.347 119.022 118.700 -0.041 0.000 2.487 244 N HA 0.163 4.903 4.740 -0.000 0.000 0.292 244 N C -0.857 174.628 175.510 -0.042 0.000 1.108 244 N CA -0.321 52.697 53.050 -0.053 0.000 0.956 244 N CB 2.007 40.474 38.487 -0.034 0.000 1.176 244 N HN -0.128 nan 8.380 nan 0.000 0.484 245 V N 2.181 122.065 119.914 -0.051 0.000 2.572 245 V HA 0.172 4.292 4.120 -0.000 0.000 0.291 245 V C 0.502 176.587 176.094 -0.014 0.000 1.039 245 V CA -0.267 62.012 62.300 -0.034 0.000 1.055 245 V CB 0.176 31.982 31.823 -0.029 0.000 0.969 245 V HN 0.357 nan 8.190 nan 0.000 0.482 246 L N 5.497 126.705 121.223 -0.025 0.000 2.296 246 L HA 0.588 4.928 4.340 -0.000 0.000 0.286 246 L C -0.612 176.245 176.870 -0.023 0.000 1.023 246 L CA -0.569 54.272 54.840 0.001 0.000 0.812 246 L CB 1.783 43.857 42.059 0.024 0.000 1.223 246 L HN 0.370 nan 8.230 nan 0.000 0.421 247 V N 2.722 122.668 119.914 0.054 0.000 2.409 247 V HA 0.342 4.462 4.120 -0.000 0.000 0.291 247 V C -0.195 175.994 176.094 0.158 0.000 1.020 247 V CA -0.617 61.718 62.300 0.058 0.000 0.848 247 V CB 1.737 33.594 31.823 0.058 0.000 0.990 247 V HN 0.741 nan 8.190 nan 0.000 0.430 248 E N 3.051 123.347 120.200 0.159 0.000 2.191 248 E HA 0.635 4.985 4.350 -0.000 0.000 0.274 248 E C -0.198 176.488 176.600 0.144 0.000 0.948 248 E CA -0.474 56.047 56.400 0.200 0.000 0.802 248 E CB 1.773 31.631 29.700 0.264 0.000 1.137 248 E HN 0.833 nan 8.360 nan 0.000 0.397 249 T N 1.183 115.818 114.554 0.134 0.000 2.952 249 T HA 0.186 4.536 4.350 -0.000 0.000 0.286 249 T C 0.987 175.678 174.700 -0.016 0.000 1.024 249 T CA -0.845 61.292 62.100 0.061 0.000 1.029 249 T CB 1.158 70.071 68.868 0.076 0.000 1.094 249 T HN 0.455 nan 8.240 nan 0.000 0.515 250 L N 1.862 123.049 121.223 -0.061 0.000 2.079 250 L HA -0.032 4.308 4.340 -0.000 0.000 0.210 250 L C 1.921 178.581 176.870 -0.350 0.000 1.081 250 L CA 2.269 57.019 54.840 -0.149 0.000 0.752 250 L CB -1.219 40.795 42.059 -0.075 0.000 0.896 250 L HN 0.954 nan 8.230 nan 0.000 0.433 251 N N -2.393 116.172 118.700 -0.226 0.000 2.485 251 N HA -0.084 4.656 4.740 -0.000 0.000 0.199 251 N C -0.008 175.413 175.510 -0.149 0.000 1.236 251 N CA 0.530 53.445 53.050 -0.225 0.000 0.852 251 N CB -0.574 37.876 38.487 -0.061 0.000 1.018 251 N HN 0.566 nan 8.380 nan 0.000 0.457 252 H N -2.888 116.199 119.070 0.028 0.000 3.049 252 H HA -0.147 4.409 4.556 -0.000 0.000 0.250 252 H C -0.848 174.489 175.328 0.015 0.000 1.219 252 H CA 0.686 56.742 56.048 0.015 0.000 1.117 252 H CB -1.824 27.936 29.762 -0.004 0.000 1.251 252 H HN 0.549 nan 8.280 nan 0.000 0.338 253 E N 0.699 120.969 120.200 0.116 0.000 2.283 253 E HA 0.483 4.833 4.350 -0.000 0.000 0.267 253 E C 0.129 176.754 176.600 0.043 0.000 1.045 253 E CA -0.686 55.745 56.400 0.050 0.000 0.884 253 E CB 0.977 30.732 29.700 0.092 0.000 1.106 253 E HN 0.047 nan 8.360 nan 0.000 0.408 254 M N 2.206 121.715 119.600 -0.152 0.000 2.326 254 M HA 0.361 4.841 4.480 -0.000 0.000 0.306 254 M C -1.584 174.509 176.300 -0.345 0.000 1.054 254 M CA -0.621 54.623 55.300 -0.092 0.000 0.922 254 M CB 1.162 33.736 32.600 -0.044 0.000 1.632 254 M HN 0.515 nan 8.290 nan 0.000 0.436 255 Y N 0.543 120.855 120.300 0.020 0.000 2.446 255 Y HA 0.536 5.085 4.550 -0.000 0.000 0.345 255 Y C -0.045 175.858 175.900 0.005 0.000 0.984 255 Y CA -0.718 57.389 58.100 0.011 0.000 1.058 255 Y CB 1.803 40.267 38.460 0.007 0.000 1.220 255 Y HN 0.558 nan 8.280 nan 0.000 0.455 256 E N 1.636 121.909 120.200 0.122 0.000 2.256 256 E HA 0.843 5.193 4.350 -0.000 0.000 0.268 256 E C -1.652 174.983 176.600 0.059 0.000 0.877 256 E CA -0.711 55.726 56.400 0.061 0.000 0.757 256 E CB 1.452 31.164 29.700 0.020 0.000 1.183 256 E HN 0.775 nan 8.360 nan 0.000 0.418 257 A N 3.511 126.349 122.820 0.031 0.000 2.609 257 A HA 0.370 4.690 4.320 -0.000 0.000 0.291 257 A C -0.172 177.383 177.584 -0.048 0.000 1.096 257 A CA -0.657 51.392 52.037 0.020 0.000 0.684 257 A CB 1.522 20.554 19.000 0.053 0.000 1.282 257 A HN 0.673 nan 8.150 nan 0.000 0.412 258 K N -0.725 119.625 120.400 -0.082 0.000 2.167 258 K HA 0.116 4.436 4.320 -0.000 0.000 0.203 258 K C -0.714 175.542 176.600 -0.573 0.000 1.052 258 K CA 1.415 57.513 56.287 -0.316 0.000 0.956 258 K CB -0.027 32.301 32.500 -0.286 0.000 0.735 258 K HN 0.600 nan 8.250 nan 0.000 0.451 259 Y N -0.999 119.324 120.300 0.038 0.000 2.588 259 Y HA 0.378 4.928 4.550 -0.000 0.000 0.343 259 Y C -0.672 175.253 175.900 0.043 0.000 1.065 259 Y CA -1.313 56.823 58.100 0.061 0.000 1.038 259 Y CB 1.943 40.429 38.460 0.044 0.000 1.297 259 Y HN -0.417 nan 8.280 nan 0.000 0.467 260 V N 3.426 123.482 119.914 0.237 0.000 2.735 260 V HA 0.500 4.620 4.120 -0.000 0.000 0.310 260 V C -0.618 175.525 176.094 0.082 0.000 1.061 260 V CA -0.860 61.505 62.300 0.108 0.000 0.913 260 V CB 2.103 33.955 31.823 0.049 0.000 1.005 260 V HN 0.543 nan 8.190 nan 0.000 0.428 261 I N 2.769 123.355 120.570 0.025 0.000 2.378 261 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 261 I C 0.202 176.297 176.117 -0.036 0.000 0.992 261 I CA -0.220 61.071 61.300 -0.015 0.000 1.154 261 I CB 1.950 39.951 38.000 0.002 0.000 1.315 261 I HN 0.605 nan 8.210 nan 0.000 0.448 262 S N 5.402 121.044 115.700 -0.098 0.000 2.399 262 S HA 0.553 5.023 4.470 -0.000 0.000 0.301 262 S C 0.330 174.993 174.600 0.105 0.000 1.093 262 S CA -0.474 57.733 58.200 0.010 0.000 1.077 262 S CB 0.605 63.819 63.200 0.025 0.000 0.980 262 S HN 0.714 nan 8.310 nan 0.000 0.494 263 A N 6.096 128.974 122.820 0.097 0.000 3.106 263 A HA 0.493 4.813 4.320 -0.000 0.000 0.306 263 A C 0.256 177.915 177.584 0.124 0.000 1.192 263 A CA -0.719 51.386 52.037 0.112 0.000 0.994 263 A CB -0.611 18.432 19.000 0.073 0.000 1.107 263 A HN 0.941 nan 8.150 nan 0.000 0.585 264 I N -3.722 116.941 120.570 0.155 0.000 2.740 264 I HA 0.684 4.854 4.170 -0.000 0.000 0.303 264 I C -2.923 173.290 176.117 0.161 0.000 1.044 264 I CA -3.071 58.320 61.300 0.151 0.000 1.064 264 I CB 1.844 39.935 38.000 0.151 0.000 1.249 264 I HN -0.132 nan 8.210 nan 0.000 0.433 265 P HA 0.124 nan 4.420 nan 0.000 0.263 265 P C -2.177 175.178 177.300 0.092 0.000 1.175 265 P CA -0.656 62.513 63.100 0.115 0.000 0.761 265 P CB -0.090 31.664 31.700 0.089 0.000 0.794 266 P HA -0.234 nan 4.420 nan 0.000 0.216 266 P C 1.635 178.921 177.300 -0.024 0.000 1.157 266 P CA 1.954 65.061 63.100 0.011 0.000 0.880 266 P CB -0.290 31.378 31.700 -0.053 0.000 0.791 267 T N -1.419 113.095 114.554 -0.066 0.000 2.881 267 T HA -0.068 4.282 4.350 -0.000 0.000 0.270 267 T C 1.523 176.212 174.700 -0.017 0.000 1.068 267 T CA 0.745 62.795 62.100 -0.083 0.000 1.131 267 T CB -0.794 67.991 68.868 -0.140 0.000 0.871 267 T HN -0.032 nan 8.240 nan 0.000 0.479 268 L N 0.328 121.570 121.223 0.032 0.000 2.465 268 L HA 0.128 4.468 4.340 -0.000 0.000 0.224 268 L C 2.829 179.771 176.870 0.120 0.000 1.145 268 L CA 0.715 55.601 54.840 0.076 0.000 0.834 268 L CB -0.739 41.390 42.059 0.116 0.000 0.944 268 L HN 0.344 nan 8.230 nan 0.000 0.451 269 G N -0.048 108.836 108.800 0.140 0.000 2.479 269 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 269 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 269 G C 1.604 176.636 174.900 0.220 0.000 1.115 269 G CA 0.321 45.559 45.100 0.230 0.000 0.757 269 G HN 0.141 nan 8.290 nan 0.000 0.560 270 M N 0.440 120.099 119.600 0.099 0.000 2.267 270 M HA -0.015 4.465 4.480 -0.000 0.000 0.263 270 M C 2.158 178.473 176.300 0.025 0.000 1.063 270 M CA 1.021 56.349 55.300 0.047 0.000 1.090 270 M CB -0.572 32.019 32.600 -0.015 0.000 1.392 270 M HN 0.214 nan 8.290 nan 0.000 0.422 271 K N 0.055 120.490 120.400 0.058 0.000 2.555 271 K HA 0.109 4.429 4.320 -0.000 0.000 0.193 271 K C 0.379 177.026 176.600 0.078 0.000 1.032 271 K CA 0.481 56.809 56.287 0.068 0.000 1.004 271 K CB 0.055 32.625 32.500 0.115 0.000 0.804 271 K HN 0.341 nan 8.250 nan 0.000 0.496 272 I N 0.994 121.579 120.570 0.024 0.000 2.404 272 I HA 0.138 4.308 4.170 -0.000 0.000 0.293 272 I C 0.073 176.057 176.117 -0.222 0.000 0.992 272 I CA -0.750 60.480 61.300 -0.116 0.000 1.149 272 I CB 1.490 39.278 38.000 -0.354 0.000 1.315 272 I HN 0.020 nan 8.210 nan 0.000 0.446 273 H N 6.012 124.981 119.070 -0.169 0.000 2.562 273 H HA 0.352 4.908 4.556 -0.000 0.000 0.314 273 H C -1.100 174.142 175.328 -0.144 0.000 1.079 273 H CA -0.245 55.801 56.048 -0.002 0.000 1.349 273 H CB 1.175 31.023 29.762 0.144 0.000 1.432 273 H HN 0.316 nan 8.280 nan 0.000 0.479 274 F N 1.916 121.974 119.950 0.179 0.000 2.450 274 F HA 0.173 4.700 4.527 -0.000 0.000 0.332 274 F C 0.628 176.482 175.800 0.090 0.000 1.093 274 F CA -0.709 57.331 58.000 0.066 0.000 1.003 274 F CB 1.336 40.358 39.000 0.037 0.000 1.151 274 F HN 0.474 nan 8.300 nan 0.000 0.474 275 N N 4.007 122.810 118.700 0.171 0.000 2.519 275 N HA 0.406 5.146 4.740 -0.000 0.000 0.286 275 N C -3.082 172.483 175.510 0.091 0.000 1.079 275 N CA -2.307 50.831 53.050 0.148 0.000 0.878 275 N CB 2.084 40.684 38.487 0.189 0.000 1.375 275 N HN 0.060 nan 8.380 nan 0.000 0.514 276 P HA 0.322 nan 4.420 nan 0.000 0.274 276 P C -2.621 174.755 177.300 0.126 0.000 1.256 276 P CA -0.993 62.166 63.100 0.100 0.000 0.795 276 P CB -0.328 31.410 31.700 0.062 0.000 1.038 277 P HA 0.052 nan 4.420 nan 0.000 0.267 277 P C 0.133 177.448 177.300 0.026 0.000 1.201 277 P CA 0.275 63.436 63.100 0.102 0.000 0.775 277 P CB 0.177 31.919 31.700 0.070 0.000 0.854 278 L N 3.312 124.502 121.223 -0.054 0.000 2.499 278 L HA 0.102 4.442 4.340 -0.000 0.000 0.281 278 L C -1.610 175.205 176.870 -0.092 0.000 1.234 278 L CA -1.468 53.267 54.840 -0.174 0.000 0.839 278 L CB -0.659 41.210 42.059 -0.316 0.000 1.104 278 L HN 0.319 nan 8.230 nan 0.000 0.500 279 P HA -0.051 nan 4.420 nan 0.000 0.269 279 P C 0.647 177.914 177.300 -0.056 0.000 1.217 279 P CA -0.247 62.818 63.100 -0.058 0.000 0.783 279 P CB 0.468 32.133 31.700 -0.059 0.000 0.898 280 M N 1.479 121.059 119.600 -0.033 0.000 2.088 280 M HA -0.218 4.262 4.480 -0.000 0.000 0.256 280 M C 1.321 177.625 176.300 0.007 0.000 1.071 280 M CA 2.268 57.559 55.300 -0.016 0.000 1.097 280 M CB -0.359 32.235 32.600 -0.010 0.000 1.315 280 M HN 0.195 nan 8.290 nan 0.000 0.406 281 M N -0.506 119.096 119.600 0.004 0.000 2.117 281 M HA -0.176 4.304 4.480 -0.000 0.000 0.262 281 M C 2.252 178.593 176.300 0.068 0.000 1.065 281 M CA 1.765 57.109 55.300 0.074 0.000 1.114 281 M CB -1.509 31.080 32.600 -0.018 0.000 1.361 281 M HN 0.410 nan 8.290 nan 0.000 0.408 282 R N 0.387 120.854 120.500 -0.054 0.000 2.075 282 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 282 R C 2.014 178.226 176.300 -0.145 0.000 1.126 282 R CA 1.736 57.754 56.100 -0.136 0.000 0.963 282 R CB -0.236 29.933 30.300 -0.219 0.000 0.858 282 R HN 0.331 nan 8.270 nan 0.000 0.435 283 N N 0.380 119.011 118.700 -0.115 0.000 2.091 283 N HA -0.235 4.505 4.740 -0.000 0.000 0.193 283 N C 1.561 177.004 175.510 -0.113 0.000 1.021 283 N CA 2.004 54.994 53.050 -0.101 0.000 0.862 283 N CB 0.029 38.480 38.487 -0.061 0.000 1.018 283 N HN 0.378 nan 8.380 nan 0.000 0.429 284 Q N -1.169 118.567 119.800 -0.107 0.000 2.250 284 Q HA -0.024 4.316 4.340 -0.000 0.000 0.200 284 Q C 1.965 177.702 176.000 -0.439 0.000 0.941 284 Q CA 0.500 56.183 55.803 -0.200 0.000 0.872 284 Q CB -0.080 28.607 28.738 -0.085 0.000 0.965 284 Q HN 0.500 nan 8.270 nan 0.000 0.480 285 M N 1.725 121.058 119.600 -0.446 0.000 2.080 285 M HA -0.166 4.314 4.480 -0.000 0.000 0.260 285 M C 2.073 178.132 176.300 -0.401 0.000 1.068 285 M CA 1.664 56.644 55.300 -0.534 0.000 1.109 285 M CB -0.477 31.984 32.600 -0.232 0.000 1.342 285 M HN 0.310 nan 8.290 nan 0.000 0.405 286 I N -1.303 119.099 120.570 -0.280 0.000 3.083 286 I HA -0.113 4.057 4.170 -0.000 0.000 0.273 286 I C 1.542 177.528 176.117 -0.219 0.000 1.297 286 I CA 1.540 62.706 61.300 -0.222 0.000 1.452 286 I CB -1.023 36.893 38.000 -0.140 0.000 1.078 286 I HN 0.357 nan 8.210 nan 0.000 0.484 287 T N -2.383 112.020 114.554 -0.252 0.000 3.069 287 T HA 0.263 4.613 4.350 -0.000 0.000 0.252 287 T C 1.507 176.039 174.700 -0.280 0.000 1.053 287 T CA -0.196 61.768 62.100 -0.226 0.000 0.964 287 T CB -0.056 68.703 68.868 -0.182 0.000 1.005 287 T HN 0.414 nan 8.240 nan 0.000 0.532 288 R N 0.996 121.271 120.500 -0.375 0.000 2.472 288 R HA 0.327 4.667 4.340 -0.000 0.000 0.279 288 R C -0.073 175.916 176.300 -0.518 0.000 0.953 288 R CA -0.003 55.848 56.100 -0.415 0.000 1.088 288 R CB 1.245 31.249 30.300 -0.494 0.000 1.197 288 R HN 0.441 nan 8.270 nan 0.000 0.536 289 V N -0.870 118.720 119.914 -0.539 0.000 2.383 289 V HA 0.469 4.589 4.120 -0.000 0.000 0.261 289 V C -2.636 173.106 176.094 -0.587 0.000 0.987 289 V CA -2.323 59.548 62.300 -0.715 0.000 0.853 289 V CB 0.745 32.094 31.823 -0.790 0.000 1.095 289 V HN -0.102 nan 8.190 nan 0.000 0.461 290 P HA 0.485 nan 4.420 nan 0.000 0.274 290 P C -0.703 176.300 177.300 -0.494 0.000 1.256 290 P CA -0.297 62.487 63.100 -0.528 0.000 0.795 290 P CB 1.745 33.117 31.700 -0.547 0.000 1.038 291 L N 0.029 121.133 121.223 -0.199 0.000 2.334 291 L HA 0.595 4.935 4.340 -0.000 0.000 0.270 291 L C 1.436 178.370 176.870 0.107 0.000 1.018 291 L CA -0.264 54.556 54.840 -0.034 0.000 0.811 291 L CB 0.591 42.653 42.059 0.004 0.000 1.271 291 L HN 0.471 nan 8.230 nan 0.000 0.443 292 G N -0.147 108.732 108.800 0.131 0.000 2.611 292 G HA2 0.450 4.410 3.960 -0.000 0.000 0.273 292 G HA3 0.450 4.410 3.960 -0.000 0.000 0.273 292 G C -0.776 174.121 174.900 -0.005 0.000 1.305 292 G CA -0.356 44.774 45.100 0.049 0.000 1.010 292 G HN 0.494 nan 8.290 nan 0.000 0.509 293 S N -1.541 114.128 115.700 -0.050 0.000 2.561 293 S HA 0.609 5.079 4.470 -0.000 0.000 0.303 293 S C -1.091 173.502 174.600 -0.011 0.000 1.110 293 S CA -0.495 57.707 58.200 0.004 0.000 1.034 293 S CB 1.752 64.965 63.200 0.022 0.000 1.010 293 S HN 0.835 nan 8.310 nan 0.000 0.482 294 V N 4.578 124.540 119.914 0.079 0.000 3.000 294 V HA 0.553 4.673 4.120 -0.000 0.000 0.300 294 V C -1.995 174.266 176.094 0.278 0.000 1.251 294 V CA -0.719 61.667 62.300 0.143 0.000 0.972 294 V CB 1.796 33.662 31.823 0.072 0.000 1.065 294 V HN 0.884 nan 8.190 nan 0.000 0.431 295 I N 5.114 125.856 120.570 0.286 0.000 2.362 295 I HA 0.507 4.676 4.170 -0.000 0.000 0.289 295 I C -0.195 176.154 176.117 0.387 0.000 0.994 295 I CA -0.630 60.851 61.300 0.301 0.000 1.158 295 I CB 1.686 39.803 38.000 0.195 0.000 1.315 295 I HN 0.531 nan 8.210 nan 0.000 0.451 296 K N 5.994 126.658 120.400 0.440 0.000 2.227 296 K HA 0.555 4.875 4.320 -0.000 0.000 0.280 296 K C -1.368 175.337 176.600 0.175 0.000 1.041 296 K CA -0.259 56.245 56.287 0.361 0.000 0.905 296 K CB 0.787 33.565 32.500 0.462 0.000 1.068 296 K HN 0.704 nan 8.250 nan 0.000 0.470 297 C N 5.256 124.614 119.300 0.097 0.000 2.441 297 C HA 0.578 5.038 4.460 -0.000 0.000 0.318 297 C C -0.895 174.129 174.990 0.057 0.000 1.222 297 C CA -1.143 57.924 59.018 0.082 0.000 1.474 297 C CB 0.099 27.993 27.740 0.257 0.000 2.125 297 C HN 0.735 nan 8.230 nan 0.000 0.479 298 I N 2.808 123.379 120.570 0.002 0.000 2.439 298 I HA 0.404 4.574 4.170 -0.000 0.000 0.285 298 I C -0.300 175.825 176.117 0.012 0.000 1.021 298 I CA -0.146 61.119 61.300 -0.059 0.000 1.091 298 I CB 1.510 39.426 38.000 -0.140 0.000 1.242 298 I HN 0.389 nan 8.210 nan 0.000 0.439 299 V N 6.710 126.630 119.914 0.009 0.000 2.383 299 V HA 0.352 4.472 4.120 -0.000 0.000 0.275 299 V C -0.562 175.351 176.094 -0.302 0.000 1.036 299 V CA -0.682 61.626 62.300 0.013 0.000 0.889 299 V CB 0.516 32.400 31.823 0.101 0.000 0.985 299 V HN 0.397 nan 8.190 nan 0.000 0.459 300 Y N 4.264 124.512 120.300 -0.086 0.000 2.334 300 Y HA 0.635 5.185 4.550 -0.000 0.000 0.328 300 Y C -0.214 175.543 175.900 -0.238 0.000 1.130 300 Y CA -0.388 57.703 58.100 -0.016 0.000 1.163 300 Y CB 1.095 39.647 38.460 0.154 0.000 1.207 300 Y HN 0.529 nan 8.280 nan 0.000 0.471 301 Y N 0.106 120.654 120.300 0.412 0.000 2.576 301 Y HA 0.275 4.825 4.550 -0.000 0.000 0.346 301 Y C 1.138 177.186 175.900 0.247 0.000 1.018 301 Y CA -1.406 56.911 58.100 0.361 0.000 1.050 301 Y CB 1.997 40.776 38.460 0.531 0.000 1.280 301 Y HN 0.519 nan 8.280 nan 0.000 0.474 302 K N 0.549 121.161 120.400 0.353 0.000 2.103 302 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 302 K C -0.540 176.135 176.600 0.125 0.000 1.048 302 K CA 1.776 58.169 56.287 0.177 0.000 0.930 302 K CB 0.198 32.773 32.500 0.125 0.000 0.716 302 K HN 0.754 nan 8.250 nan 0.000 0.444 303 E N -0.988 119.308 120.200 0.160 0.000 2.408 303 E HA 0.204 4.554 4.350 -0.000 0.000 0.275 303 E C -2.703 173.783 176.600 -0.190 0.000 0.935 303 E CA -2.204 54.198 56.400 0.004 0.000 0.775 303 E CB 2.331 32.020 29.700 -0.018 0.000 1.277 303 E HN -0.053 nan 8.360 nan 0.000 0.455 304 P HA 0.046 nan 4.420 nan 0.000 0.237 304 P C 0.132 176.547 177.300 -1.475 0.000 1.788 304 P CA -0.042 62.176 63.100 -1.470 0.000 1.061 304 P CB -0.833 30.297 31.700 -0.950 0.000 1.967 305 F N 0.052 119.430 119.950 -0.953 0.000 2.365 305 F HA -0.058 4.469 4.527 -0.000 0.000 0.300 305 F C 1.731 177.366 175.800 -0.275 0.000 1.090 305 F CA -0.235 57.504 58.000 -0.435 0.000 1.408 305 F CB -1.625 37.248 39.000 -0.210 0.000 1.060 305 F HN 0.125 nan 8.300 nan 0.000 0.534 306 W N 1.388 122.356 121.300 -0.553 0.000 2.374 306 W HA 0.023 4.683 4.660 0.000 0.000 0.288 306 W C 2.019 178.476 176.519 -0.104 0.000 1.218 306 W CA 0.892 58.099 57.345 -0.229 0.000 1.245 306 W CB -1.157 28.114 29.460 -0.316 0.000 1.126 306 W HN -0.144 nan 8.180 nan 0.000 0.545 307 R N 1.243 121.534 120.500 -0.348 0.000 2.127 307 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 307 R C 2.019 178.231 176.300 -0.146 0.000 1.134 307 R CA 1.799 57.788 56.100 -0.186 0.000 0.975 307 R CB -0.434 29.706 30.300 -0.267 0.000 0.865 307 R HN 0.320 nan 8.270 nan 0.000 0.447 308 K N 0.610 120.920 120.400 -0.149 0.000 2.211 308 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 308 K C 1.421 177.947 176.600 -0.122 0.000 1.050 308 K CA 0.957 57.181 56.287 -0.105 0.000 0.945 308 K CB 0.068 32.529 32.500 -0.065 0.000 0.732 308 K HN 0.115 nan 8.250 nan 0.000 0.451 309 K N 0.920 121.215 120.400 -0.174 0.000 2.417 309 K HA -0.036 4.284 4.320 -0.000 0.000 0.196 309 K C -0.495 175.764 176.600 -0.569 0.000 1.023 309 K CA 0.122 56.196 56.287 -0.355 0.000 1.122 309 K CB 0.242 32.486 32.500 -0.426 0.000 0.850 309 K HN 0.023 nan 8.250 nan 0.000 0.521 310 D N 0.118 120.325 120.400 -0.321 0.000 2.746 310 D HA -0.210 4.430 4.640 -0.000 0.000 0.236 310 D C -1.422 174.785 176.300 -0.155 0.000 1.129 310 D CA 0.846 54.721 54.000 -0.209 0.000 0.691 310 D CB -1.412 39.296 40.800 -0.155 0.000 1.077 310 D HN 0.328 nan 8.370 nan 0.000 0.432 311 Y N -0.863 119.471 120.300 0.057 0.000 2.377 311 Y HA 0.313 4.863 4.550 -0.000 0.000 0.339 311 Y C 2.100 178.071 175.900 0.119 0.000 1.011 311 Y CA -0.974 57.161 58.100 0.059 0.000 1.093 311 Y CB 1.241 39.743 38.460 0.069 0.000 1.201 311 Y HN 0.247 nan 8.280 nan 0.000 0.455 312 C N -0.907 118.512 119.300 0.197 0.000 2.446 312 C HA 0.365 4.824 4.460 -0.000 0.000 0.279 312 C C 1.774 176.827 174.990 0.105 0.000 1.366 312 C CA 0.658 59.764 59.018 0.147 0.000 1.763 312 C CB -0.997 26.759 27.740 0.027 0.000 1.929 312 C HN 1.239 nan 8.230 nan 0.000 0.509 313 G N -0.421 108.290 108.800 -0.147 0.000 2.211 313 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.201 313 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.201 313 G C 0.013 174.596 174.900 -0.529 0.000 0.997 313 G CA 0.170 44.884 45.100 -0.643 0.000 0.652 313 G HN 0.581 nan 8.290 nan 0.000 0.500 314 T N 2.365 116.705 114.554 -0.357 0.000 2.761 314 T HA 0.625 4.975 4.350 -0.000 0.000 0.296 314 T C 0.324 174.826 174.700 -0.330 0.000 0.934 314 T CA 0.530 62.399 62.100 -0.385 0.000 1.091 314 T CB 0.860 69.555 68.868 -0.288 0.000 0.896 314 T HN 0.295 nan 8.240 nan 0.000 0.515 315 M N 4.082 123.468 119.600 -0.355 0.000 2.259 315 M HA 0.483 4.963 4.480 -0.000 0.000 0.304 315 M C -0.831 175.462 176.300 -0.012 0.000 1.019 315 M CA -0.600 54.605 55.300 -0.159 0.000 0.922 315 M CB 2.103 34.592 32.600 -0.185 0.000 1.600 315 M HN 0.411 nan 8.290 nan 0.000 0.433 316 I N 4.770 125.481 120.570 0.234 0.000 2.307 316 I HA 0.428 4.598 4.170 -0.000 0.000 0.289 316 I C -0.755 175.629 176.117 0.445 0.000 1.021 316 I CA -0.315 61.231 61.300 0.409 0.000 1.224 316 I CB 0.781 39.043 38.000 0.438 0.000 1.376 316 I HN 0.611 nan 8.210 nan 0.000 0.470 317 I N 5.362 126.150 120.570 0.364 0.000 2.390 317 I HA 0.286 4.456 4.170 -0.000 0.000 0.283 317 I C -0.315 175.980 176.117 0.296 0.000 1.016 317 I CA -0.493 60.996 61.300 0.316 0.000 1.151 317 I CB 1.200 39.326 38.000 0.210 0.000 1.293 317 I HN 0.469 nan 8.210 nan 0.000 0.458 318 D N 4.430 125.006 120.400 0.293 0.000 2.312 318 D HA 0.681 5.321 4.640 -0.000 0.000 0.248 318 D C 0.186 176.598 176.300 0.186 0.000 1.086 318 D CA 0.550 54.688 54.000 0.229 0.000 0.948 318 D CB 1.987 42.912 40.800 0.208 0.000 1.162 318 D HN 0.793 nan 8.370 nan 0.000 0.446 319 G N 1.709 110.600 108.800 0.152 0.000 2.525 319 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.685 319 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.685 319 G C 0.383 175.355 174.900 0.120 0.000 1.285 319 G CA 0.006 45.181 45.100 0.125 0.000 0.849 319 G HN 0.414 nan 8.290 nan 0.000 0.653 320 E N 0.098 120.362 120.200 0.107 0.000 2.208 320 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 320 E C 2.126 178.780 176.600 0.091 0.000 0.988 320 E CA 2.319 58.788 56.400 0.116 0.000 0.828 320 E CB 0.066 29.832 29.700 0.111 0.000 0.763 320 E HN 0.609 nan 8.360 nan 0.000 0.478 321 E N 0.415 120.662 120.200 0.079 0.000 2.158 321 E HA 0.120 4.470 4.350 -0.000 0.000 0.191 321 E C 0.449 177.077 176.600 0.047 0.000 0.982 321 E CA 0.830 57.265 56.400 0.058 0.000 0.823 321 E CB -0.377 29.357 29.700 0.056 0.000 0.766 321 E HN 0.266 nan 8.360 nan 0.000 0.468 322 A N 2.834 125.693 122.820 0.065 0.000 2.522 322 A HA 0.129 4.449 4.320 -0.000 0.000 0.256 322 A C -1.361 176.247 177.584 0.040 0.000 1.086 322 A CA -1.004 51.065 52.037 0.053 0.000 0.763 322 A CB 0.075 19.130 19.000 0.092 0.000 1.024 322 A HN 0.012 nan 8.150 nan 0.000 0.502 323 P HA -0.040 nan 4.420 nan 0.000 0.218 323 P C 0.217 177.547 177.300 0.051 0.000 1.149 323 P CA 0.974 64.078 63.100 0.007 0.000 0.817 323 P CB 0.099 31.785 31.700 -0.022 0.000 0.785 324 V N -0.023 119.939 119.914 0.080 0.000 2.448 324 V HA 0.491 4.611 4.120 -0.000 0.000 0.295 324 V C 1.060 177.268 176.094 0.189 0.000 1.025 324 V CA -0.154 62.240 62.300 0.157 0.000 0.859 324 V CB 1.466 33.404 31.823 0.193 0.000 0.988 324 V HN -0.037 nan 8.190 nan 0.000 0.431 325 A N 4.390 127.354 122.820 0.239 0.000 2.169 325 A HA 0.343 4.663 4.320 -0.000 0.000 0.210 325 A C 0.114 177.920 177.584 0.371 0.000 1.168 325 A CA 0.536 52.737 52.037 0.273 0.000 0.813 325 A CB 0.217 19.368 19.000 0.251 0.000 0.861 325 A HN 0.752 nan 8.150 nan 0.000 0.481 326 Y N -0.059 120.364 120.300 0.205 0.000 2.442 326 Y HA 0.476 5.026 4.550 -0.000 0.000 0.330 326 Y C -0.449 175.515 175.900 0.106 0.000 1.100 326 Y CA -0.382 57.826 58.100 0.179 0.000 1.034 326 Y CB 1.627 40.234 38.460 0.245 0.000 1.285 326 Y HN 0.126 nan 8.280 nan 0.000 0.440 327 T N 4.018 118.272 114.554 -0.499 0.000 2.896 327 T HA 0.862 5.212 4.350 -0.000 0.000 0.297 327 T C -1.580 172.725 174.700 -0.660 0.000 1.108 327 T CA -0.798 61.015 62.100 -0.478 0.000 1.004 327 T CB 1.779 70.359 68.868 -0.478 0.000 1.159 327 T HN 0.607 nan 8.240 nan 0.000 0.499 328 L N 1.104 122.051 121.223 -0.459 0.000 2.393 328 L HA 0.513 4.853 4.340 -0.000 0.000 0.260 328 L C -0.510 176.178 176.870 -0.303 0.000 1.002 328 L CA -1.267 53.358 54.840 -0.359 0.000 0.818 328 L CB 2.171 44.094 42.059 -0.227 0.000 1.369 328 L HN 0.750 nan 8.230 nan 0.000 0.412 329 D N 0.882 121.142 120.400 -0.233 0.000 2.450 329 D HA -0.052 4.588 4.640 -0.000 0.000 0.247 329 D C -0.336 175.981 176.300 0.027 0.000 1.162 329 D CA 0.622 54.562 54.000 -0.100 0.000 0.879 329 D CB 1.218 42.074 40.800 0.093 0.000 1.163 329 D HN 0.520 nan 8.370 nan 0.000 0.472 330 D N 1.824 122.247 120.400 0.039 0.000 2.501 330 D HA 0.071 4.711 4.640 -0.000 0.000 0.224 330 D C -0.348 176.032 176.300 0.133 0.000 1.202 330 D CA -0.161 53.886 54.000 0.079 0.000 0.829 330 D CB 0.416 41.206 40.800 -0.018 0.000 1.023 330 D HN 0.223 nan 8.370 nan 0.000 0.499 331 T N 1.468 116.138 114.554 0.193 0.000 2.946 331 T HA 0.017 4.367 4.350 -0.000 0.000 0.311 331 T C 0.538 175.313 174.700 0.126 0.000 1.063 331 T CA -0.014 62.197 62.100 0.185 0.000 1.139 331 T CB 0.829 69.811 68.868 0.189 0.000 0.994 331 T HN -0.044 nan 8.240 nan 0.000 0.547 332 K N 3.802 124.241 120.400 0.065 0.000 2.319 332 K HA 0.083 4.403 4.320 -0.000 0.000 0.265 332 K C -1.415 175.081 176.600 -0.174 0.000 1.000 332 K CA -1.715 54.516 56.287 -0.094 0.000 0.943 332 K CB 0.279 32.757 32.500 -0.036 0.000 0.950 332 K HN 0.344 nan 8.250 nan 0.000 0.485 333 P HA -0.135 nan 4.420 nan 0.000 0.221 333 P C 0.274 177.505 177.300 -0.115 0.000 1.145 333 P CA 1.356 64.264 63.100 -0.319 0.000 0.795 333 P CB 0.298 31.707 31.700 -0.486 0.000 0.775 334 E N -1.017 119.134 120.200 -0.082 0.000 2.427 334 E HA 0.155 4.505 4.350 -0.000 0.000 0.196 334 E C 1.571 178.161 176.600 -0.016 0.000 1.028 334 E CA 0.926 57.311 56.400 -0.026 0.000 0.864 334 E CB -0.780 28.923 29.700 0.004 0.000 0.813 334 E HN 0.297 nan 8.360 nan 0.000 0.514 335 G N 0.772 109.565 108.800 -0.012 0.000 2.176 335 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.232 335 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.232 335 G C 0.082 174.975 174.900 -0.012 0.000 0.986 335 G CA 0.248 45.339 45.100 -0.015 0.000 0.643 335 G HN 0.356 nan 8.290 nan 0.000 0.522 336 N N -0.666 118.045 118.700 0.017 0.000 2.563 336 N HA 0.531 5.271 4.740 -0.000 0.000 0.288 336 N C 0.527 176.112 175.510 0.125 0.000 1.246 336 N CA -0.883 52.153 53.050 -0.024 0.000 0.946 336 N CB 0.036 38.431 38.487 -0.153 0.000 1.213 336 N HN 0.604 nan 8.380 nan 0.000 0.578 337 Y N -2.542 117.791 120.300 0.054 0.000 3.108 337 Y HA -0.175 4.375 4.550 -0.000 0.000 0.208 337 Y C 0.661 176.694 175.900 0.223 0.000 1.245 337 Y CA 0.332 58.517 58.100 0.143 0.000 1.171 337 Y CB -2.341 36.171 38.460 0.086 0.000 1.331 337 Y HN 0.744 nan 8.280 nan 0.000 0.534 338 A N 0.365 123.344 122.820 0.265 0.000 2.565 338 A HA 0.555 4.875 4.320 -0.000 0.000 0.237 338 A C 0.740 178.562 177.584 0.396 0.000 1.053 338 A CA 0.618 52.825 52.037 0.283 0.000 0.755 338 A CB 0.116 19.209 19.000 0.155 0.000 0.980 338 A HN 1.550 nan 8.150 nan 0.000 0.506 339 A N 2.380 125.438 122.820 0.397 0.000 2.594 339 A HA 0.600 4.920 4.320 -0.000 0.000 0.296 339 A C -1.028 176.553 177.584 -0.006 0.000 1.061 339 A CA -0.534 51.545 52.037 0.070 0.000 0.689 339 A CB 0.931 19.655 19.000 -0.461 0.000 1.280 339 A HN 0.721 nan 8.150 nan 0.000 0.406 340 I N 2.775 123.236 120.570 -0.183 0.000 2.378 340 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 340 I C -0.143 175.815 176.117 -0.266 0.000 0.992 340 I CA -0.393 60.665 61.300 -0.403 0.000 1.154 340 I CB 1.636 39.234 38.000 -0.670 0.000 1.315 340 I HN 0.761 nan 8.210 nan 0.000 0.448 341 M N 5.597 125.043 119.600 -0.257 0.000 2.233 341 M HA 0.628 5.108 4.480 -0.000 0.000 0.355 341 M C -0.326 175.825 176.300 -0.249 0.000 1.191 341 M CA -0.125 55.051 55.300 -0.207 0.000 1.101 341 M CB 1.244 33.745 32.600 -0.165 0.000 1.592 341 M HN 0.714 nan 8.290 nan 0.000 0.461 342 G N 4.179 112.872 108.800 -0.178 0.000 2.659 342 G HA2 0.692 4.652 3.960 -0.000 0.000 0.296 342 G HA3 0.692 4.652 3.960 -0.000 0.000 0.296 342 G C -2.041 172.779 174.900 -0.132 0.000 1.369 342 G CA -0.551 44.481 45.100 -0.113 0.000 0.937 342 G HN 0.638 nan 8.290 nan 0.000 0.485 343 F N 0.521 120.607 119.950 0.226 0.000 2.436 343 F HA 0.501 5.028 4.527 -0.000 0.000 0.340 343 F C 0.509 176.419 175.800 0.183 0.000 1.113 343 F CA -0.707 57.430 58.000 0.229 0.000 1.022 343 F CB 2.202 41.366 39.000 0.273 0.000 1.128 343 F HN 0.059 nan 8.300 nan 0.000 0.466 344 I N 5.375 126.154 120.570 0.348 0.000 2.297 344 I HA 0.266 4.436 4.170 -0.000 0.000 0.291 344 I C -0.708 175.508 176.117 0.164 0.000 1.033 344 I CA -0.289 61.135 61.300 0.206 0.000 1.253 344 I CB 0.714 38.802 38.000 0.147 0.000 1.396 344 I HN 0.391 nan 8.210 nan 0.000 0.476 345 L N 6.478 127.763 121.223 0.102 0.000 2.325 345 L HA 0.723 5.063 4.340 -0.000 0.000 0.278 345 L C 0.948 177.805 176.870 -0.020 0.000 1.023 345 L CA -0.135 54.729 54.840 0.040 0.000 0.811 345 L CB 1.530 43.616 42.059 0.044 0.000 1.249 345 L HN 0.886 nan 8.230 nan 0.000 0.431 346 A N 2.003 124.800 122.820 -0.038 0.000 5.218 346 A HA -0.362 3.958 4.320 -0.000 0.000 0.318 346 A C 1.637 179.234 177.584 0.021 0.000 1.887 346 A CA 1.539 53.561 52.037 -0.026 0.000 0.712 346 A CB -1.637 17.350 19.000 -0.022 0.000 1.343 346 A HN 1.079 nan 8.150 nan 0.000 0.377 347 H N 1.051 120.114 119.070 -0.012 0.000 2.491 347 H HA 0.079 4.635 4.556 -0.000 0.000 0.290 347 H C 1.661 177.007 175.328 0.030 0.000 1.050 347 H CA 1.684 57.741 56.048 0.015 0.000 1.309 347 H CB -0.334 29.445 29.762 0.028 0.000 1.392 347 H HN 0.726 nan 8.280 nan 0.000 0.554 348 K N 0.684 120.756 120.400 -0.547 0.000 2.217 348 K HA 0.076 4.396 4.320 -0.000 0.000 0.202 348 K C 2.509 179.049 176.600 -0.102 0.000 1.051 348 K CA 0.863 56.949 56.287 -0.334 0.000 0.952 348 K CB 0.089 32.420 32.500 -0.282 0.000 0.736 348 K HN 0.322 nan 8.250 nan 0.000 0.453 349 A N 1.337 124.130 122.820 -0.045 0.000 1.898 349 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 349 A C 2.056 179.655 177.584 0.024 0.000 1.181 349 A CA 1.329 53.378 52.037 0.021 0.000 0.620 349 A CB -0.284 18.746 19.000 0.050 0.000 0.819 349 A HN 0.108 nan 8.150 nan 0.000 0.442 350 R N -0.205 120.309 120.500 0.022 0.000 2.073 350 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 350 R C 2.337 178.655 176.300 0.029 0.000 1.134 350 R CA 1.839 57.960 56.100 0.035 0.000 0.952 350 R CB -0.289 30.044 30.300 0.056 0.000 0.850 350 R HN 0.627 nan 8.270 nan 0.000 0.433 351 K N 0.477 120.889 120.400 0.019 0.000 2.057 351 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 351 K C 1.529 178.136 176.600 0.012 0.000 1.050 351 K CA 1.291 57.590 56.287 0.019 0.000 0.935 351 K CB 0.030 32.538 32.500 0.014 0.000 0.715 351 K HN 0.169 nan 8.250 nan 0.000 0.439 352 L N 0.264 121.490 121.223 0.006 0.000 2.558 352 L HA 0.118 4.458 4.340 -0.000 0.000 0.225 352 L C 2.241 179.126 176.870 0.025 0.000 1.128 352 L CA 0.214 55.062 54.840 0.013 0.000 0.868 352 L CB -0.050 42.015 42.059 0.011 0.000 1.006 352 L HN 0.187 nan 8.230 nan 0.000 0.454 353 A N 0.702 123.539 122.820 0.028 0.000 2.015 353 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 353 A C 2.340 179.938 177.584 0.023 0.000 1.163 353 A CA 1.019 53.074 52.037 0.030 0.000 0.646 353 A CB -0.332 18.686 19.000 0.029 0.000 0.806 353 A HN 0.366 nan 8.150 nan 0.000 0.448 354 R N -0.465 120.047 120.500 0.019 0.000 2.152 354 R HA 0.027 4.367 4.340 -0.000 0.000 0.232 354 R C 0.232 176.541 176.300 0.015 0.000 1.117 354 R CA 0.349 56.459 56.100 0.015 0.000 0.981 354 R CB -0.603 29.706 30.300 0.014 0.000 0.870 354 R HN 0.443 nan 8.270 nan 0.000 0.451 355 L N 0.772 122.005 121.223 0.016 0.000 2.475 355 L HA 0.113 4.453 4.340 -0.000 0.000 0.253 355 L C 1.076 177.958 176.870 0.020 0.000 1.198 355 L CA -0.510 54.338 54.840 0.014 0.000 0.814 355 L CB 0.359 42.423 42.059 0.010 0.000 1.134 355 L HN 0.100 nan 8.230 nan 0.000 0.478 356 T N -2.976 111.588 114.554 0.017 0.000 2.849 356 T HA 0.133 4.483 4.350 -0.000 0.000 0.284 356 T C 0.887 175.613 174.700 0.043 0.000 1.004 356 T CA -0.678 61.438 62.100 0.025 0.000 1.021 356 T CB 1.311 70.189 68.868 0.017 0.000 1.013 356 T HN 0.650 nan 8.240 nan 0.000 0.527 357 K N 0.392 120.833 120.400 0.069 0.000 2.044 357 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 357 K C 1.973 178.625 176.600 0.086 0.000 1.049 357 K CA 2.110 58.481 56.287 0.140 0.000 0.927 357 K CB -0.215 32.373 32.500 0.145 0.000 0.713 357 K HN 0.711 nan 8.250 nan 0.000 0.443 358 E N 0.627 120.844 120.200 0.028 0.000 2.077 358 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 358 E C 1.822 178.379 176.600 -0.071 0.000 0.989 358 E CA 1.487 57.868 56.400 -0.031 0.000 0.800 358 E CB -0.015 29.679 29.700 -0.011 0.000 0.746 358 E HN 0.396 nan 8.360 nan 0.000 0.452 359 E N 0.242 120.418 120.200 -0.040 0.000 2.110 359 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 359 E C 2.130 178.686 176.600 -0.074 0.000 0.988 359 E CA 0.800 57.172 56.400 -0.047 0.000 0.804 359 E CB -0.044 29.643 29.700 -0.021 0.000 0.745 359 E HN 0.129 nan 8.360 nan 0.000 0.458 360 R N 0.185 120.645 120.500 -0.067 0.000 2.073 360 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 360 R C 2.434 178.585 176.300 -0.249 0.000 1.120 360 R CA 0.647 56.697 56.100 -0.083 0.000 0.967 360 R CB -0.292 30.032 30.300 0.039 0.000 0.862 360 R HN 0.119 nan 8.270 nan 0.000 0.436 361 L N 1.859 122.810 121.223 -0.454 0.000 2.012 361 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 361 L C 2.207 178.867 176.870 -0.351 0.000 1.073 361 L CA 1.923 56.352 54.840 -0.685 0.000 0.748 361 L CB -0.482 41.135 42.059 -0.738 0.000 0.891 361 L HN -0.002 nan 8.230 nan 0.000 0.431 362 K N -0.515 119.751 120.400 -0.223 0.000 2.026 362 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 362 K C 2.150 178.665 176.600 -0.141 0.000 1.048 362 K CA 1.718 57.921 56.287 -0.141 0.000 0.929 362 K CB -0.115 32.329 32.500 -0.093 0.000 0.713 362 K HN 0.328 nan 8.250 nan 0.000 0.439 363 K N 0.155 120.468 120.400 -0.146 0.000 2.063 363 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 363 K C 2.076 178.544 176.600 -0.220 0.000 1.048 363 K CA 1.223 57.426 56.287 -0.139 0.000 0.928 363 K CB -0.120 32.317 32.500 -0.104 0.000 0.713 363 K HN 0.067 nan 8.250 nan 0.000 0.442 364 L N 0.820 121.859 121.223 -0.307 0.000 2.027 364 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 364 L C 2.467 178.917 176.870 -0.701 0.000 1.074 364 L CA 1.510 56.007 54.840 -0.571 0.000 0.745 364 L CB -0.785 40.979 42.059 -0.493 0.000 0.898 364 L HN 0.228 nan 8.230 nan 0.000 0.433 365 C N -0.626 118.484 119.300 -0.317 0.000 2.429 365 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 365 C C 2.640 177.605 174.990 -0.042 0.000 1.262 365 C CA 0.596 59.577 59.018 -0.063 0.000 1.733 365 C CB -0.786 26.969 27.740 0.024 0.000 2.010 365 C HN 0.551 nan 8.230 nan 0.000 0.483 366 E N 0.339 120.486 120.200 -0.089 0.000 2.110 366 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 366 E C 1.990 178.551 176.600 -0.065 0.000 0.988 366 E CA 0.987 57.355 56.400 -0.054 0.000 0.804 366 E CB -0.274 29.395 29.700 -0.052 0.000 0.745 366 E HN 0.541 nan 8.360 nan 0.000 0.458 367 L N 0.338 121.475 121.223 -0.143 0.000 1.994 367 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 367 L C 2.041 178.900 176.870 -0.019 0.000 1.071 367 L CA 1.743 56.504 54.840 -0.131 0.000 0.745 367 L CB -0.621 41.316 42.059 -0.203 0.000 0.892 367 L HN 0.186 nan 8.230 nan 0.000 0.431 368 Y N -0.609 119.673 120.300 -0.030 0.000 2.224 368 Y HA -0.242 4.308 4.550 -0.000 0.000 0.289 368 Y C 2.526 178.430 175.900 0.007 0.000 1.146 368 Y CA 0.315 58.400 58.100 -0.025 0.000 1.182 368 Y CB -0.526 37.955 38.460 0.035 0.000 0.983 368 Y HN 0.404 nan 8.280 nan 0.000 0.524 369 A N 0.654 123.575 122.820 0.169 0.000 1.933 369 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 369 A C 2.117 179.743 177.584 0.069 0.000 1.175 369 A CA 1.596 53.701 52.037 0.113 0.000 0.628 369 A CB -0.389 18.652 19.000 0.069 0.000 0.814 369 A HN 0.372 nan 8.150 nan 0.000 0.444 370 K N -0.494 119.921 120.400 0.025 0.000 2.031 370 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 370 K C 1.918 178.497 176.600 -0.036 0.000 1.049 370 K CA 1.401 57.688 56.287 0.000 0.000 0.939 370 K CB -0.389 32.092 32.500 -0.031 0.000 0.717 370 K HN 0.305 nan 8.250 nan 0.000 0.438 371 V N 1.948 121.778 119.914 -0.139 0.000 2.358 371 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 371 V C 2.125 178.162 176.094 -0.095 0.000 1.047 371 V CA 1.551 63.723 62.300 -0.214 0.000 1.035 371 V CB -0.385 31.282 31.823 -0.260 0.000 0.658 371 V HN 0.257 nan 8.190 nan 0.000 0.452 372 L N 0.367 121.574 121.223 -0.026 0.000 2.492 372 L HA 0.272 4.612 4.340 -0.000 0.000 0.223 372 L C 1.663 178.660 176.870 0.211 0.000 1.132 372 L CA 0.770 55.638 54.840 0.046 0.000 0.850 372 L CB -0.680 41.479 42.059 0.167 0.000 0.966 372 L HN 0.559 nan 8.230 nan 0.000 0.454 373 G N 0.753 109.640 108.800 0.144 0.000 2.295 373 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.287 373 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.287 373 G C -0.074 174.915 174.900 0.149 0.000 1.055 373 G CA 0.451 45.638 45.100 0.144 0.000 0.922 373 G HN 0.354 nan 8.290 nan 0.000 0.503 374 S N -0.935 114.852 115.700 0.144 0.000 2.614 374 S HA 0.505 4.975 4.470 -0.000 0.000 0.288 374 S C 1.100 175.692 174.600 -0.013 0.000 1.137 374 S CA -0.794 57.455 58.200 0.082 0.000 0.992 374 S CB 1.844 65.143 63.200 0.165 0.000 1.026 374 S HN 0.229 nan 8.310 nan 0.000 0.486 375 L N 1.695 122.882 121.223 -0.060 0.000 2.362 375 L HA -0.049 4.291 4.340 -0.000 0.000 0.219 375 L C 2.141 178.908 176.870 -0.172 0.000 1.134 375 L CA 1.072 55.865 54.840 -0.078 0.000 0.807 375 L CB -0.389 41.637 42.059 -0.055 0.000 0.927 375 L HN 0.703 nan 8.230 nan 0.000 0.447 376 E N 0.532 120.502 120.200 -0.384 0.000 2.204 376 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 376 E C 2.252 178.453 176.600 -0.666 0.000 0.990 376 E CA 0.921 56.910 56.400 -0.685 0.000 0.821 376 E CB -0.075 28.842 29.700 -1.306 0.000 0.750 376 E HN 0.508 nan 8.360 nan 0.000 0.477 377 A N 0.547 123.108 122.820 -0.431 0.000 2.172 377 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 377 A C 1.852 179.602 177.584 0.277 0.000 1.154 377 A CA 0.695 52.761 52.037 0.049 0.000 0.701 377 A CB -0.266 18.902 19.000 0.280 0.000 0.789 377 A HN 0.169 nan 8.150 nan 0.000 0.465 378 L N -1.287 120.005 121.223 0.115 0.000 2.591 378 L HA 0.123 4.463 4.340 -0.000 0.000 0.228 378 L C 0.382 177.332 176.870 0.133 0.000 1.133 378 L CA 0.271 55.178 54.840 0.111 0.000 0.880 378 L CB 0.063 42.146 42.059 0.039 0.000 1.033 378 L HN 0.187 nan 8.230 nan 0.000 0.450 379 E N 0.817 121.142 120.200 0.208 0.000 3.588 379 E HA 0.191 4.541 4.350 -0.000 0.000 0.213 379 E C -2.251 174.515 176.600 0.278 0.000 1.168 379 E CA -1.780 54.731 56.400 0.185 0.000 1.254 379 E CB 0.590 30.353 29.700 0.105 0.000 1.302 379 E HN 0.039 nan 8.360 nan 0.000 0.429 380 P HA -0.026 nan 4.420 nan 0.000 0.271 380 P C 0.790 178.122 177.300 0.054 0.000 1.218 380 P CA -0.101 62.971 63.100 -0.046 0.000 0.780 380 P CB 1.621 33.247 31.700 -0.123 0.000 0.901 381 V N -1.776 118.187 119.914 0.082 0.000 3.565 381 V HA 0.293 4.413 4.120 -0.000 0.000 0.260 381 V C 0.414 176.637 176.094 0.216 0.000 1.231 381 V CA 0.815 63.200 62.300 0.140 0.000 1.100 381 V CB -1.222 30.687 31.823 0.143 0.000 0.807 381 V HN 0.678 nan 8.190 nan 0.000 0.454 382 H N -1.104 118.035 119.070 0.115 0.000 3.024 382 H HA 0.594 5.150 4.556 -0.000 0.000 0.324 382 H C -2.322 173.212 175.328 0.343 0.000 1.347 382 H CA -0.751 55.384 56.048 0.145 0.000 1.182 382 H CB 1.802 31.546 29.762 -0.031 0.000 1.889 382 H HN 0.157 nan 8.280 nan 0.000 0.528 383 Y N 2.101 122.152 120.300 -0.415 0.000 2.433 383 Y HA 0.520 5.070 4.550 -0.000 0.000 0.337 383 Y C -1.543 174.201 175.900 -0.259 0.000 1.026 383 Y CA -0.658 57.339 58.100 -0.171 0.000 1.037 383 Y CB 1.654 40.045 38.460 -0.115 0.000 1.245 383 Y HN 0.606 nan 8.280 nan 0.000 0.443 384 E N 4.676 124.621 120.200 -0.425 0.000 2.288 384 E HA 0.410 4.760 4.350 -0.000 0.000 0.268 384 E C -1.398 174.851 176.600 -0.585 0.000 0.885 384 E CA -0.776 55.376 56.400 -0.413 0.000 0.767 384 E CB 2.762 32.449 29.700 -0.021 0.000 1.220 384 E HN 0.794 nan 8.360 nan 0.000 0.427 385 E N 0.433 120.383 120.200 -0.418 0.000 2.412 385 E HA 0.683 5.033 4.350 -0.000 0.000 0.279 385 E C -1.229 175.319 176.600 -0.087 0.000 0.984 385 E CA -1.083 55.169 56.400 -0.247 0.000 0.788 385 E CB 2.163 31.685 29.700 -0.296 0.000 1.277 385 E HN 0.080 nan 8.360 nan 0.000 0.455 386 K N 1.408 121.805 120.400 -0.004 0.000 2.619 386 K HA 0.303 4.623 4.320 -0.000 0.000 0.251 386 K C -1.836 174.728 176.600 -0.061 0.000 0.987 386 K CA -0.559 55.672 56.287 -0.095 0.000 0.844 386 K CB 1.449 33.871 32.500 -0.130 0.000 1.237 386 K HN 0.549 nan 8.250 nan 0.000 0.447 387 N N 3.943 122.575 118.700 -0.113 0.000 2.415 387 N HA 0.104 4.844 4.740 -0.000 0.000 0.246 387 N C -0.093 175.360 175.510 -0.094 0.000 1.078 387 N CA -0.203 52.837 53.050 -0.016 0.000 0.942 387 N CB 0.277 38.762 38.487 -0.004 0.000 1.140 387 N HN 0.657 nan 8.380 nan 0.000 0.501 388 W N 2.233 123.578 121.300 0.075 0.000 2.800 388 W HA 0.052 4.712 4.660 -0.000 0.000 0.249 388 W C 1.975 178.515 176.519 0.035 0.000 1.294 388 W CA -0.071 57.312 57.345 0.064 0.000 1.402 388 W CB -0.146 29.369 29.460 0.092 0.000 1.126 388 W HN 0.589 nan 8.180 nan 0.000 0.652 389 C N 0.389 119.793 119.300 0.174 0.000 2.432 389 C HA -0.138 4.322 4.460 -0.000 0.000 0.282 389 C C 2.291 177.309 174.990 0.047 0.000 1.388 389 C CA 1.368 60.447 59.018 0.103 0.000 1.777 389 C CB -1.447 26.337 27.740 0.074 0.000 1.882 389 C HN 0.490 nan 8.230 nan 0.000 0.520 390 E N 0.635 120.842 120.200 0.011 0.000 2.479 390 E HA 0.025 4.375 4.350 -0.000 0.000 0.193 390 E C -0.101 176.472 176.600 -0.045 0.000 1.049 390 E CA 0.225 56.609 56.400 -0.027 0.000 0.870 390 E CB -0.163 29.509 29.700 -0.048 0.000 0.944 390 E HN 0.477 nan 8.360 nan 0.000 0.492 391 E N 2.245 122.434 120.200 -0.018 0.000 2.129 391 E HA -0.027 4.323 4.350 -0.000 0.000 0.283 391 E C 0.497 177.082 176.600 -0.025 0.000 1.080 391 E CA 0.049 56.444 56.400 -0.008 0.000 0.867 391 E CB 1.486 31.234 29.700 0.080 0.000 1.056 391 E HN 0.367 nan 8.360 nan 0.000 0.404 392 Q N 3.038 122.765 119.800 -0.121 0.000 2.135 392 Q HA -0.194 4.145 4.340 -0.000 0.000 0.204 392 Q C 0.386 176.146 176.000 -0.400 0.000 0.981 392 Q CA 1.624 57.239 55.803 -0.313 0.000 0.856 392 Q CB 0.087 28.523 28.738 -0.505 0.000 0.902 392 Q HN 0.596 nan 8.270 nan 0.000 0.425 393 Y N -0.902 119.423 120.300 0.042 0.000 2.524 393 Y HA 0.250 4.800 4.550 -0.000 0.000 0.266 393 Y C 1.497 177.453 175.900 0.094 0.000 1.180 393 Y CA -0.219 57.915 58.100 0.057 0.000 1.244 393 Y CB 0.885 39.371 38.460 0.043 0.000 1.125 393 Y HN 0.083 nan 8.280 nan 0.000 0.524 394 S N -1.614 114.206 115.700 0.200 0.000 2.891 394 S HA 0.311 4.781 4.470 -0.000 0.000 0.247 394 S C 1.791 176.471 174.600 0.132 0.000 1.063 394 S CA 0.523 58.849 58.200 0.210 0.000 0.857 394 S CB 0.536 63.942 63.200 0.344 0.000 0.800 394 S HN 0.485 nan 8.310 nan 0.000 0.540 395 G N 1.020 109.882 108.800 0.103 0.000 2.175 395 G HA2 0.155 4.115 3.960 -0.000 0.000 0.244 395 G HA3 0.155 4.115 3.960 -0.000 0.000 0.244 395 G C 0.513 175.458 174.900 0.075 0.000 0.982 395 G CA 0.086 45.217 45.100 0.051 0.000 0.641 395 G HN 1.404 nan 8.290 nan 0.000 0.527 396 G N -2.303 106.583 108.800 0.144 0.000 2.320 396 G HA2 0.494 4.454 3.960 -0.000 0.000 0.274 396 G HA3 0.494 4.454 3.960 -0.000 0.000 0.274 396 G C -0.830 174.154 174.900 0.141 0.000 1.324 396 G CA 0.290 45.483 45.100 0.155 0.000 0.957 396 G HN 1.571 nan 8.290 nan 0.000 0.481 397 C N -1.727 117.602 119.300 0.049 0.000 3.307 397 C HA 0.585 5.045 4.460 -0.000 0.000 0.333 397 C C 0.760 175.602 174.990 -0.247 0.000 1.291 397 C CA -0.640 58.340 59.018 -0.063 0.000 1.273 397 C CB 0.690 28.319 27.740 -0.186 0.000 1.580 397 C HN 0.740 nan 8.230 nan 0.000 0.481 398 Y N 0.664 120.902 120.300 -0.103 0.000 2.337 398 Y HA 0.237 4.787 4.550 -0.000 0.000 0.293 398 Y C 1.580 177.448 175.900 -0.054 0.000 1.123 398 Y CA 1.210 59.218 58.100 -0.154 0.000 1.201 398 Y CB -0.388 37.950 38.460 -0.202 0.000 1.011 398 Y HN 0.690 nan 8.280 nan 0.000 0.545 399 T N -1.888 112.739 114.554 0.122 0.000 2.665 399 T HA 0.345 4.695 4.350 -0.000 0.000 0.303 399 T C -0.852 173.945 174.700 0.161 0.000 1.334 399 T CA -0.711 61.504 62.100 0.192 0.000 1.011 399 T CB 1.024 70.100 68.868 0.347 0.000 1.573 399 T HN -0.151 nan 8.240 nan 0.000 0.492 400 T N 2.720 117.387 114.554 0.187 0.000 2.851 400 T HA 0.478 4.828 4.350 -0.000 0.000 0.298 400 T C -0.761 173.950 174.700 0.018 0.000 0.977 400 T CA 0.027 62.144 62.100 0.027 0.000 1.126 400 T CB -0.406 68.469 68.868 0.012 0.000 0.916 400 T HN 0.474 nan 8.240 nan 0.000 0.529 401 Y N 0.939 121.010 120.300 -0.382 0.000 2.496 401 Y HA 0.792 5.341 4.550 -0.000 0.000 0.331 401 Y C -1.202 174.156 175.900 -0.903 0.000 1.140 401 Y CA -2.174 55.335 58.100 -0.984 0.000 1.166 401 Y CB 0.749 38.751 38.460 -0.763 0.000 1.249 401 Y HN 0.390 nan 8.280 nan 0.000 0.479 402 F N 3.132 122.316 119.950 -1.277 0.000 2.388 402 F HA 0.559 5.086 4.527 -0.000 0.000 0.358 402 F C -2.279 173.413 175.800 -0.178 0.000 1.122 402 F CA -2.812 54.824 58.000 -0.607 0.000 1.056 402 F CB 1.406 40.136 39.000 -0.450 0.000 1.155 402 F HN 0.361 nan 8.300 nan 0.000 0.461 403 P HA 0.105 nan 4.420 nan 0.000 0.273 403 P C -2.532 174.866 177.300 0.163 0.000 1.250 403 P CA -1.101 62.072 63.100 0.121 0.000 0.793 403 P CB -0.163 31.553 31.700 0.027 0.000 1.011 404 P HA -0.026 nan 4.420 nan 0.000 0.265 404 P C 0.886 178.275 177.300 0.148 0.000 1.193 404 P CA 1.172 64.372 63.100 0.167 0.000 0.765 404 P CB -0.020 31.763 31.700 0.138 0.000 0.823 405 G N 2.783 111.684 108.800 0.168 0.000 2.225 405 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.254 405 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.254 405 G C 0.774 175.788 174.900 0.190 0.000 0.988 405 G CA 0.117 45.308 45.100 0.151 0.000 0.625 405 G HN 0.429 nan 8.290 nan 0.000 0.527 406 I N 0.155 120.869 120.570 0.240 0.000 2.494 406 I HA 0.192 4.362 4.170 -0.000 0.000 0.250 406 I C 2.607 178.966 176.117 0.404 0.000 1.112 406 I CA 1.139 62.636 61.300 0.329 0.000 1.438 406 I CB -1.201 36.923 38.000 0.207 0.000 1.111 406 I HN 0.267 nan 8.210 nan 0.000 0.431 407 L N 1.114 122.560 121.223 0.371 0.000 2.046 407 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 407 L C 2.624 179.576 176.870 0.137 0.000 1.077 407 L CA 2.486 57.430 54.840 0.174 0.000 0.747 407 L CB -0.955 41.106 42.059 0.003 0.000 0.896 407 L HN 0.432 nan 8.230 nan 0.000 0.432 408 T N -4.294 110.346 114.554 0.143 0.000 2.904 408 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 408 T C 1.791 176.455 174.700 -0.060 0.000 1.059 408 T CA 0.898 63.051 62.100 0.089 0.000 1.137 408 T CB -0.290 68.634 68.868 0.094 0.000 0.879 408 T HN 0.347 nan 8.240 nan 0.000 0.467 409 Q N -0.092 119.672 119.800 -0.061 0.000 2.163 409 Q HA 0.125 4.465 4.340 -0.000 0.000 0.198 409 Q C 1.103 176.784 176.000 -0.531 0.000 0.954 409 Q CA 1.169 56.791 55.803 -0.301 0.000 0.851 409 Q CB -0.004 28.550 28.738 -0.306 0.000 0.928 409 Q HN 0.763 nan 8.270 nan 0.000 0.459 410 Y N -1.585 118.652 120.300 -0.106 0.000 2.471 410 Y HA 0.273 4.823 4.550 -0.000 0.000 0.249 410 Y C 2.018 177.798 175.900 -0.200 0.000 1.116 410 Y CA 0.085 58.103 58.100 -0.136 0.000 1.240 410 Y CB 0.164 38.583 38.460 -0.069 0.000 1.251 410 Y HN 0.085 nan 8.280 nan 0.000 0.527 411 G N 1.675 110.396 108.800 -0.130 0.000 2.469 411 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 411 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 411 G C 1.716 176.174 174.900 -0.738 0.000 1.136 411 G CA 1.129 46.066 45.100 -0.272 0.000 0.759 411 G HN 0.412 nan 8.290 nan 0.000 0.562 412 R N 0.205 119.941 120.500 -1.272 0.000 2.339 412 R HA 0.158 4.498 4.340 -0.000 0.000 0.199 412 R C 1.376 177.435 176.300 -0.401 0.000 1.018 412 R CA 0.689 56.093 56.100 -1.160 0.000 1.036 412 R CB -0.312 29.299 30.300 -1.148 0.000 0.899 412 R HN 0.277 nan 8.270 nan 0.000 0.473 413 V N 1.032 120.770 119.914 -0.293 0.000 3.471 413 V HA 0.005 4.125 4.120 -0.000 0.000 0.258 413 V C 2.188 178.181 176.094 -0.168 0.000 1.192 413 V CA 0.306 62.499 62.300 -0.178 0.000 1.116 413 V CB -0.041 31.696 31.823 -0.144 0.000 0.792 413 V HN 0.235 nan 8.190 nan 0.000 0.459 414 L N 0.874 122.037 121.223 -0.100 0.000 2.013 414 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 414 L C 2.415 179.233 176.870 -0.088 0.000 1.073 414 L CA 2.256 57.055 54.840 -0.068 0.000 0.753 414 L CB -0.272 41.853 42.059 0.111 0.000 0.890 414 L HN 0.442 nan 8.230 nan 0.000 0.432 415 R N -0.458 120.084 120.500 0.071 0.000 2.509 415 R HA 0.122 4.462 4.340 -0.000 0.000 0.300 415 R C 0.550 176.981 176.300 0.218 0.000 0.985 415 R CA -0.221 55.998 56.100 0.199 0.000 1.092 415 R CB -0.047 30.436 30.300 0.305 0.000 1.237 415 R HN 0.243 nan 8.270 nan 0.000 0.546 416 Q N 2.746 122.597 119.800 0.086 0.000 2.286 416 Q HA 0.199 4.539 4.340 -0.000 0.000 0.267 416 Q C -2.091 174.000 176.000 0.153 0.000 1.028 416 Q CA -2.131 53.726 55.803 0.089 0.000 0.901 416 Q CB 0.895 29.633 28.738 -0.000 0.000 1.183 416 Q HN 0.046 nan 8.270 nan 0.000 0.392 417 P HA -0.052 nan 4.420 nan 0.000 0.266 417 P C -1.219 176.078 177.300 -0.005 0.000 1.195 417 P CA 0.004 63.052 63.100 -0.088 0.000 0.768 417 P CB 0.637 32.052 31.700 -0.476 0.000 0.838 418 V N 3.690 123.630 119.914 0.044 0.000 2.259 418 V HA 0.132 4.252 4.120 -0.000 0.000 0.267 418 V C 0.753 176.817 176.094 -0.050 0.000 1.051 418 V CA 0.202 62.515 62.300 0.022 0.000 0.830 418 V CB -0.103 31.769 31.823 0.082 0.000 1.080 418 V HN 0.776 nan 8.190 nan 0.000 0.467 419 D N 4.057 124.428 120.400 -0.049 0.000 4.372 419 D HA -0.306 4.334 4.640 -0.000 0.000 0.169 419 D C 1.344 177.632 176.300 -0.019 0.000 0.680 419 D CA 2.378 56.367 54.000 -0.018 0.000 1.152 419 D CB -0.317 40.487 40.800 0.006 0.000 0.585 419 D HN 0.552 nan 8.370 nan 0.000 0.493 420 R N -0.152 120.367 120.500 0.031 0.000 2.468 420 R HA 0.445 4.785 4.340 -0.000 0.000 0.280 420 R C -0.233 176.172 176.300 0.176 0.000 0.963 420 R CA -0.146 56.069 56.100 0.190 0.000 1.083 420 R CB 0.366 30.723 30.300 0.094 0.000 1.200 420 R HN 0.292 nan 8.270 nan 0.000 0.541 421 I N 1.215 121.739 120.570 -0.076 0.000 2.321 421 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 421 I C -0.586 175.211 176.117 -0.533 0.000 0.998 421 I CA -0.709 60.466 61.300 -0.209 0.000 1.227 421 I CB 0.696 38.546 38.000 -0.250 0.000 1.368 421 I HN -0.080 nan 8.210 nan 0.000 0.466 422 Y N 5.369 125.458 120.300 -0.353 0.000 2.457 422 Y HA 0.537 5.087 4.550 -0.000 0.000 0.333 422 Y C -0.485 175.110 175.900 -0.509 0.000 1.119 422 Y CA -0.654 57.273 58.100 -0.288 0.000 1.143 422 Y CB 1.432 39.826 38.460 -0.110 0.000 1.230 422 Y HN 0.284 nan 8.280 nan 0.000 0.469 423 F N 1.288 121.343 119.950 0.175 0.000 2.427 423 F HA 0.716 5.243 4.527 -0.000 0.000 0.348 423 F C 0.377 176.253 175.800 0.127 0.000 1.125 423 F CA -0.558 57.521 58.000 0.131 0.000 0.989 423 F CB 1.107 40.168 39.000 0.102 0.000 1.165 423 F HN 0.591 nan 8.300 nan 0.000 0.442 424 A N 2.142 125.108 122.820 0.244 0.000 3.521 424 A HA 0.969 5.289 4.320 -0.000 0.000 0.181 424 A C 0.273 177.985 177.584 0.213 0.000 1.386 424 A CA -0.491 51.658 52.037 0.186 0.000 0.873 424 A CB 0.221 19.285 19.000 0.107 0.000 1.634 424 A HN 1.523 nan 8.150 nan 0.000 0.551 425 G N -2.310 106.594 108.800 0.174 0.000 2.785 425 G HA2 0.109 4.069 3.960 -0.000 0.000 0.686 425 G HA3 0.109 4.069 3.960 -0.000 0.000 0.686 425 G C 0.456 175.485 174.900 0.214 0.000 1.155 425 G CA 0.643 45.853 45.100 0.185 0.000 0.760 425 G HN 1.624 nan 8.290 nan 0.000 0.624 426 T N 0.322 115.004 114.554 0.212 0.000 2.760 426 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 426 T C 2.112 177.010 174.700 0.330 0.000 1.047 426 T CA 2.790 65.043 62.100 0.255 0.000 1.139 426 T CB -0.177 68.837 68.868 0.244 0.000 0.855 426 T HN 0.640 nan 8.240 nan 0.000 0.471 427 E N 0.421 120.822 120.200 0.334 0.000 2.265 427 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 427 E C 2.192 179.047 176.600 0.424 0.000 0.996 427 E CA 1.478 58.127 56.400 0.415 0.000 0.832 427 E CB -0.193 29.718 29.700 0.351 0.000 0.756 427 E HN 0.722 nan 8.360 nan 0.000 0.491 428 T N -2.704 112.064 114.554 0.357 0.000 3.122 428 T HA 0.497 4.847 4.350 -0.000 0.000 0.250 428 T C 0.735 175.668 174.700 0.388 0.000 1.067 428 T CA -0.031 62.280 62.100 0.352 0.000 0.966 428 T CB 0.235 69.287 68.868 0.307 0.000 1.002 428 T HN 0.088 nan 8.240 nan 0.000 0.542 429 A N 1.630 124.686 122.820 0.393 0.000 2.313 429 A HA 0.577 4.897 4.320 -0.000 0.000 0.261 429 A C 1.452 179.303 177.584 0.445 0.000 1.090 429 A CA 0.042 52.313 52.037 0.390 0.000 0.807 429 A CB 0.447 19.638 19.000 0.319 0.000 1.055 429 A HN 0.497 nan 8.150 nan 0.000 0.492 430 T N -2.612 112.185 114.554 0.405 0.000 3.044 430 T HA 0.251 4.601 4.350 -0.000 0.000 0.260 430 T C 0.194 175.012 174.700 0.197 0.000 1.019 430 T CA 0.554 62.850 62.100 0.327 0.000 0.921 430 T CB -0.424 68.581 68.868 0.228 0.000 1.053 430 T HN 0.754 nan 8.240 nan 0.000 0.533 431 H N -1.091 118.014 119.070 0.059 0.000 2.934 431 H HA 0.256 4.812 4.556 -0.000 0.000 0.340 431 H C -0.958 174.392 175.328 0.037 0.000 1.008 431 H CA -1.073 54.932 56.048 -0.072 0.000 1.317 431 H CB 1.000 30.771 29.762 0.015 0.000 1.670 431 H HN 0.289 nan 8.280 nan 0.000 0.516 432 W N 2.144 123.184 121.300 -0.433 0.000 5.271 432 W HA -0.255 4.405 4.660 0.000 0.000 0.364 432 W C 0.591 177.045 176.519 -0.107 0.000 1.342 432 W CA 1.023 58.092 57.345 -0.459 0.000 0.899 432 W CB -1.657 27.469 29.460 -0.557 0.000 2.450 432 W HN 0.395 nan 8.180 nan 0.000 1.508 433 S N 0.469 116.215 115.700 0.075 0.000 2.558 433 S HA 0.343 4.813 4.470 -0.000 0.000 0.293 433 S C 1.432 176.249 174.600 0.363 0.000 1.292 433 S CA 1.828 60.182 58.200 0.257 0.000 1.063 433 S CB 0.644 64.055 63.200 0.352 0.000 0.831 433 S HN 1.400 nan 8.310 nan 0.000 0.499 434 G N 3.163 112.248 108.800 0.474 0.000 2.234 434 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.235 434 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.235 434 G C -0.168 174.872 174.900 0.234 0.000 0.997 434 G CA 0.276 45.668 45.100 0.487 0.000 0.623 434 G HN 0.682 nan 8.290 nan 0.000 0.514 435 Y N -0.280 120.138 120.300 0.197 0.000 2.568 435 Y HA 0.720 5.270 4.550 -0.000 0.000 0.327 435 Y C 2.047 177.990 175.900 0.072 0.000 1.163 435 Y CA -0.715 57.451 58.100 0.110 0.000 1.219 435 Y CB 0.749 39.260 38.460 0.085 0.000 1.308 435 Y HN -0.016 nan 8.280 nan 0.000 0.503 436 M N -0.190 119.513 119.600 0.172 0.000 2.149 436 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 436 M C 1.849 178.210 176.300 0.101 0.000 1.064 436 M CA 1.931 57.299 55.300 0.113 0.000 1.102 436 M CB -0.270 32.388 32.600 0.097 0.000 1.369 436 M HN 0.775 nan 8.290 nan 0.000 0.408 437 E N 0.828 121.066 120.200 0.063 0.000 2.070 437 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 437 E C 1.959 178.625 176.600 0.110 0.000 1.004 437 E CA 2.132 58.539 56.400 0.013 0.000 0.805 437 E CB -0.683 28.899 29.700 -0.197 0.000 0.744 437 E HN 0.440 nan 8.360 nan 0.000 0.451 438 G N 0.020 108.936 108.800 0.192 0.000 2.422 438 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 438 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 438 G C 1.719 176.734 174.900 0.192 0.000 1.146 438 G CA 1.137 46.370 45.100 0.222 0.000 0.769 438 G HN 0.481 nan 8.290 nan 0.000 0.547 439 A N 0.262 123.182 122.820 0.167 0.000 1.883 439 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 439 A C 2.623 180.268 177.584 0.101 0.000 1.186 439 A CA 1.996 54.114 52.037 0.134 0.000 0.624 439 A CB -0.701 18.367 19.000 0.113 0.000 0.822 439 A HN 0.269 nan 8.150 nan 0.000 0.444 440 V N -0.006 119.960 119.914 0.087 0.000 2.261 440 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 440 V C 2.538 178.672 176.094 0.066 0.000 1.047 440 V CA 2.226 64.563 62.300 0.062 0.000 1.015 440 V CB -0.808 31.045 31.823 0.050 0.000 0.642 440 V HN 0.699 nan 8.190 nan 0.000 0.446 441 E N 0.268 120.527 120.200 0.098 0.000 2.065 441 E HA -0.317 4.033 4.350 -0.000 0.000 0.201 441 E C 2.256 178.895 176.600 0.066 0.000 1.016 441 E CA 1.979 58.446 56.400 0.111 0.000 0.818 441 E CB -0.212 29.602 29.700 0.190 0.000 0.749 441 E HN 0.546 nan 8.360 nan 0.000 0.453 442 A N 0.552 123.433 122.820 0.101 0.000 1.898 442 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 442 A C 2.435 180.039 177.584 0.034 0.000 1.181 442 A CA 1.850 53.937 52.037 0.084 0.000 0.620 442 A CB -1.076 18.020 19.000 0.160 0.000 0.819 442 A HN 0.448 nan 8.150 nan 0.000 0.442 443 G N -0.432 108.394 108.800 0.044 0.000 2.418 443 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 443 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 443 G C 1.438 176.325 174.900 -0.023 0.000 1.158 443 G CA 0.990 46.102 45.100 0.019 0.000 0.771 443 G HN 0.653 nan 8.290 nan 0.000 0.545 444 E N -0.256 119.928 120.200 -0.028 0.000 2.107 444 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 444 E C 2.517 179.047 176.600 -0.117 0.000 0.982 444 E CA 0.257 56.624 56.400 -0.054 0.000 0.809 444 E CB -0.094 29.590 29.700 -0.027 0.000 0.756 444 E HN 0.314 nan 8.360 nan 0.000 0.459 445 R N 1.079 121.475 120.500 -0.173 0.000 2.066 445 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 445 R C 2.215 178.342 176.300 -0.288 0.000 1.131 445 R CA 1.354 57.244 56.100 -0.349 0.000 0.955 445 R CB -0.224 29.715 30.300 -0.602 0.000 0.851 445 R HN 0.130 nan 8.270 nan 0.000 0.432 446 A N 0.939 123.659 122.820 -0.167 0.000 1.902 446 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 446 A C 2.393 179.869 177.584 -0.179 0.000 1.181 446 A CA 1.703 53.679 52.037 -0.102 0.000 0.623 446 A CB -0.701 18.302 19.000 0.006 0.000 0.818 446 A HN 0.546 nan 8.150 nan 0.000 0.443 447 A N -0.095 122.635 122.820 -0.149 0.000 1.908 447 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 447 A C 2.245 179.708 177.584 -0.202 0.000 1.181 447 A CA 1.631 53.572 52.037 -0.160 0.000 0.627 447 A CB -0.479 18.462 19.000 -0.098 0.000 0.818 447 A HN 0.554 nan 8.150 nan 0.000 0.445 448 R N -0.541 119.848 120.500 -0.186 0.000 2.148 448 R HA -0.070 4.270 4.340 -0.000 0.000 0.227 448 R C 2.025 178.209 176.300 -0.192 0.000 1.103 448 R CA 1.180 57.178 56.100 -0.170 0.000 0.983 448 R CB -0.234 29.975 30.300 -0.151 0.000 0.874 448 R HN 0.679 nan 8.270 nan 0.000 0.451 449 E N 0.702 120.746 120.200 -0.260 0.000 2.077 449 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 449 E C 1.963 178.271 176.600 -0.487 0.000 0.989 449 E CA 1.095 57.334 56.400 -0.268 0.000 0.800 449 E CB -0.060 29.512 29.700 -0.212 0.000 0.746 449 E HN 0.323 nan 8.360 nan 0.000 0.452 450 I N 0.975 121.118 120.570 -0.711 0.000 2.252 450 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 450 I C 2.327 178.132 176.117 -0.521 0.000 1.102 450 I CA 0.887 61.669 61.300 -0.862 0.000 1.385 450 I CB -0.170 37.357 38.000 -0.788 0.000 1.064 450 I HN 0.111 nan 8.210 nan 0.000 0.414 451 L N -0.074 120.968 121.223 -0.301 0.000 2.079 451 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 451 L C 2.702 179.504 176.870 -0.113 0.000 1.081 451 L CA 1.641 56.379 54.840 -0.169 0.000 0.752 451 L CB -0.905 41.092 42.059 -0.105 0.000 0.896 451 L HN 0.375 nan 8.230 nan 0.000 0.433 452 H N 0.061 119.023 119.070 -0.180 0.000 2.326 452 H HA -0.083 4.473 4.556 -0.000 0.000 0.301 452 H C 2.143 177.414 175.328 -0.095 0.000 1.081 452 H CA 1.445 57.428 56.048 -0.108 0.000 1.334 452 H CB 0.053 29.768 29.762 -0.078 0.000 1.385 452 H HN 0.237 nan 8.280 nan 0.000 0.504 453 A N 0.529 123.195 122.820 -0.257 0.000 2.024 453 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 453 A C 2.216 179.713 177.584 -0.146 0.000 1.164 453 A CA 1.702 53.609 52.037 -0.217 0.000 0.643 453 A CB -0.637 18.241 19.000 -0.203 0.000 0.806 453 A HN 0.575 nan 8.150 nan 0.000 0.451 454 M N -1.300 118.196 119.600 -0.172 0.000 2.561 454 M HA 0.148 4.628 4.480 -0.000 0.000 0.238 454 M C 1.361 177.621 176.300 -0.066 0.000 1.131 454 M CA 0.703 55.971 55.300 -0.055 0.000 1.046 454 M CB 0.115 32.689 32.600 -0.043 0.000 1.532 454 M HN 0.612 nan 8.290 nan 0.000 0.497 455 G N 1.239 109.960 108.800 -0.131 0.000 2.155 455 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 455 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 455 G C 0.882 175.750 174.900 -0.054 0.000 0.983 455 G CA 0.640 45.676 45.100 -0.105 0.000 0.676 455 G HN 0.481 nan 8.290 nan 0.000 0.528 456 K N -0.445 119.926 120.400 -0.048 0.000 2.305 456 K HA 0.336 4.655 4.320 -0.000 0.000 0.199 456 K C 1.240 177.839 176.600 -0.002 0.000 1.047 456 K CA 1.249 57.522 56.287 -0.024 0.000 0.976 456 K CB 0.224 32.704 32.500 -0.033 0.000 0.765 456 K HN 0.825 nan 8.250 nan 0.000 0.474 457 I N -2.343 118.242 120.570 0.025 0.000 2.913 457 I HA 0.426 4.596 4.170 -0.000 0.000 0.302 457 I C -3.025 173.183 176.117 0.152 0.000 1.246 457 I CA -2.980 58.356 61.300 0.061 0.000 1.010 457 I CB 2.410 40.433 38.000 0.038 0.000 1.259 457 I HN -0.261 nan 8.210 nan 0.000 0.434 458 P HA 0.099 nan 4.420 nan 0.000 0.272 458 P C 0.261 177.612 177.300 0.086 0.000 1.223 458 P CA 0.044 63.233 63.100 0.147 0.000 0.784 458 P CB 1.246 32.992 31.700 0.075 0.000 0.923 459 E N 1.048 121.234 120.200 -0.022 0.000 2.086 459 E HA -0.323 4.027 4.350 -0.000 0.000 0.200 459 E C 1.227 177.754 176.600 -0.122 0.000 1.012 459 E CA 1.743 57.920 56.400 -0.372 0.000 0.812 459 E CB -0.291 29.256 29.700 -0.256 0.000 0.743 459 E HN 0.458 nan 8.360 nan 0.000 0.453 460 D N 0.468 120.855 120.400 -0.022 0.000 2.382 460 D HA -0.232 4.408 4.640 -0.000 0.000 0.194 460 D C 1.090 177.414 176.300 0.041 0.000 1.026 460 D CA 1.625 55.639 54.000 0.023 0.000 0.913 460 D CB -0.067 40.749 40.800 0.027 0.000 0.894 460 D HN 0.343 nan 8.370 nan 0.000 0.453 461 E N -1.393 118.818 120.200 0.019 0.000 2.501 461 E HA 0.155 4.505 4.350 -0.000 0.000 0.201 461 E C 1.950 178.550 176.600 -0.001 0.000 1.016 461 E CA -0.322 56.092 56.400 0.023 0.000 0.920 461 E CB 0.426 30.136 29.700 0.018 0.000 1.023 461 E HN 0.387 nan 8.360 nan 0.000 0.474 462 I N -0.092 120.464 120.570 -0.023 0.000 2.252 462 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 462 I C 0.448 176.442 176.117 -0.204 0.000 1.102 462 I CA 1.135 62.354 61.300 -0.135 0.000 1.385 462 I CB 0.104 38.004 38.000 -0.167 0.000 1.064 462 I HN 0.096 nan 8.210 nan 0.000 0.414 463 W N 1.442 122.738 121.300 -0.006 0.000 2.376 463 W HA 0.526 5.186 4.660 -0.000 0.000 0.312 463 W C 0.030 176.554 176.519 0.010 0.000 1.060 463 W CA -0.292 57.061 57.345 0.013 0.000 1.221 463 W CB 0.708 30.178 29.460 0.016 0.000 1.281 463 W HN -0.079 nan 8.180 nan 0.000 0.456 464 Q N 2.512 122.432 119.800 0.201 0.000 2.340 464 Q HA 0.446 4.786 4.340 -0.000 0.000 0.268 464 Q C 0.157 176.232 176.000 0.127 0.000 1.031 464 Q CA -0.532 55.346 55.803 0.125 0.000 0.804 464 Q CB 1.734 30.511 28.738 0.065 0.000 1.286 464 Q HN 0.532 nan 8.270 nan 0.000 0.448 465 S N 2.363 118.121 115.700 0.097 0.000 2.614 465 S HA 0.337 4.807 4.470 -0.000 0.000 0.265 465 S C -0.268 174.375 174.600 0.071 0.000 1.303 465 S CA -0.579 57.670 58.200 0.082 0.000 1.000 465 S CB 1.422 64.653 63.200 0.053 0.000 0.935 465 S HN 0.662 nan 8.310 nan 0.000 0.551 466 E N 1.108 121.352 120.200 0.073 0.000 2.199 466 E HA 0.577 4.927 4.350 -0.000 0.000 0.265 466 E C -2.728 173.903 176.600 0.052 0.000 0.882 466 E CA -2.136 54.303 56.400 0.065 0.000 0.759 466 E CB 0.975 30.724 29.700 0.083 0.000 1.148 466 E HN 0.568 nan 8.360 nan 0.000 0.412 467 P HA 0.069 nan 4.420 nan 0.000 0.268 467 P C -0.713 176.607 177.300 0.033 0.000 1.205 467 P CA -0.185 62.934 63.100 0.032 0.000 0.771 467 P CB 0.534 32.249 31.700 0.025 0.000 0.858 468 E N 1.601 121.819 120.200 0.030 0.000 2.376 468 E HA 0.080 4.430 4.350 -0.000 0.000 0.266 468 E C -0.096 176.516 176.600 0.021 0.000 1.009 468 E CA -0.295 56.123 56.400 0.029 0.000 0.902 468 E CB 0.400 30.114 29.700 0.025 0.000 0.972 468 E HN 0.394 nan 8.360 nan 0.000 0.439 469 S N 3.090 118.801 115.700 0.018 0.000 2.546 469 S HA -0.054 4.416 4.470 -0.000 0.000 0.290 469 S C 1.187 175.794 174.600 0.011 0.000 1.290 469 S CA -0.066 58.142 58.200 0.013 0.000 1.069 469 S CB 0.779 63.983 63.200 0.005 0.000 0.846 469 S HN 0.530 nan 8.310 nan 0.000 0.495 470 V N 2.073 121.994 119.914 0.012 0.000 2.788 470 V HA 0.044 4.164 4.120 -0.000 0.000 0.251 470 V C 1.578 177.678 176.094 0.010 0.000 1.068 470 V CA 1.483 63.790 62.300 0.011 0.000 1.090 470 V CB -0.619 31.212 31.823 0.012 0.000 0.710 470 V HN 0.825 nan 8.190 nan 0.000 0.467 471 D N 1.162 121.568 120.400 0.011 0.000 2.194 471 D HA 0.046 4.686 4.640 -0.000 0.000 0.204 471 D C 0.807 177.107 176.300 0.000 0.000 0.964 471 D CA 1.247 55.253 54.000 0.010 0.000 0.846 471 D CB 0.567 41.378 40.800 0.018 0.000 0.962 471 D HN 0.520 nan 8.370 nan 0.000 0.490 472 V N 3.544 123.454 119.914 -0.007 0.000 2.320 472 V HA 0.198 4.318 4.120 -0.000 0.000 0.257 472 V C -2.353 173.731 176.094 -0.016 0.000 0.996 472 V CA -1.266 61.020 62.300 -0.022 0.000 0.928 472 V CB 1.331 33.125 31.823 -0.049 0.000 1.169 472 V HN -0.041 nan 8.190 nan 0.000 0.475 473 P HA 0.456 nan 4.420 nan 0.000 0.276 473 P C -0.488 176.811 177.300 -0.001 0.000 1.244 473 P CA -0.137 62.963 63.100 -0.000 0.000 0.801 473 P CB 1.743 33.445 31.700 0.003 0.000 1.006 474 A N 2.525 125.349 122.820 0.007 0.000 2.276 474 A HA 0.353 4.673 4.320 -0.000 0.000 0.316 474 A C 0.204 177.794 177.584 0.009 0.000 1.229 474 A CA -0.561 51.483 52.037 0.011 0.000 0.851 474 A CB 0.330 19.346 19.000 0.027 0.000 1.165 474 A HN 0.440 nan 8.150 nan 0.000 0.513 475 Q N 2.555 122.359 119.800 0.006 0.000 2.293 475 Q HA 0.342 4.682 4.340 -0.000 0.000 0.251 475 Q C -2.223 173.779 176.000 0.004 0.000 0.930 475 Q CA -1.574 54.232 55.803 0.005 0.000 0.893 475 Q CB 0.833 29.573 28.738 0.004 0.000 1.215 475 Q HN 0.576 nan 8.270 nan 0.000 0.425 476 P HA 0.216 nan 4.420 nan 0.000 0.274 476 P C -0.385 176.912 177.300 -0.006 0.000 1.246 476 P CA -0.417 62.680 63.100 -0.004 0.000 0.795 476 P CB 0.784 32.480 31.700 -0.005 0.000 1.006 477 I N 1.670 122.231 120.570 -0.015 0.000 2.312 477 I HA 0.177 4.347 4.170 -0.000 0.000 0.291 477 I C 1.045 177.152 176.117 -0.016 0.000 1.031 477 I CA 0.030 61.319 61.300 -0.018 0.000 1.293 477 I CB 0.068 38.048 38.000 -0.032 0.000 1.403 477 I HN 0.385 nan 8.210 nan 0.000 0.484 478 T N 2.035 116.584 114.554 -0.008 0.000 2.888 478 T HA 0.749 5.099 4.350 -0.000 0.000 0.284 478 T C 0.083 174.779 174.700 -0.006 0.000 1.017 478 T CA -0.711 61.387 62.100 -0.004 0.000 1.022 478 T CB 1.938 70.810 68.868 0.007 0.000 1.013 478 T HN 0.634 nan 8.240 nan 0.000 0.465 479 T N -0.811 113.738 114.554 -0.009 0.000 2.887 479 T HA 0.671 5.021 4.350 -0.000 0.000 0.288 479 T C 0.418 175.125 174.700 0.012 0.000 1.021 479 T CA -0.786 61.304 62.100 -0.017 0.000 1.000 479 T CB 1.264 70.102 68.868 -0.051 0.000 1.034 479 T HN 0.970 nan 8.240 nan 0.000 0.467 480 T N 0.305 114.872 114.554 0.022 0.000 2.849 480 T HA 0.332 4.682 4.350 -0.000 0.000 0.284 480 T C 0.900 175.662 174.700 0.104 0.000 1.004 480 T CA -0.798 61.347 62.100 0.075 0.000 1.021 480 T CB 0.441 69.357 68.868 0.079 0.000 1.013 480 T HN 0.530 nan 8.240 nan 0.000 0.527 481 F N 1.004 120.981 119.950 0.045 0.000 2.095 481 F HA -0.035 4.492 4.527 -0.000 0.000 0.298 481 F C 1.947 177.825 175.800 0.129 0.000 1.104 481 F CA 1.481 59.549 58.000 0.113 0.000 1.232 481 F CB -0.466 38.594 39.000 0.099 0.000 0.987 481 F HN 0.515 nan 8.300 nan 0.000 0.475 482 L N -0.054 121.252 121.223 0.139 0.000 2.056 482 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 482 L C 2.428 179.278 176.870 -0.033 0.000 1.078 482 L CA 1.657 56.522 54.840 0.042 0.000 0.749 482 L CB -0.782 41.345 42.059 0.114 0.000 0.901 482 L HN 0.169 nan 8.230 nan 0.000 0.433 483 E N -0.088 120.100 120.200 -0.019 0.000 2.097 483 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 483 E C 2.341 178.844 176.600 -0.162 0.000 1.000 483 E CA 1.259 57.620 56.400 -0.065 0.000 0.804 483 E CB -0.053 29.611 29.700 -0.060 0.000 0.740 483 E HN 0.388 nan 8.360 nan 0.000 0.454 484 R N -0.557 119.787 120.500 -0.260 0.000 2.115 484 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 484 R C 1.732 177.649 176.300 -0.638 0.000 1.111 484 R CA 0.985 56.800 56.100 -0.474 0.000 0.976 484 R CB 0.075 30.008 30.300 -0.613 0.000 0.870 484 R HN 0.306 nan 8.270 nan 0.000 0.445 485 H N -1.031 117.848 119.070 -0.317 0.000 3.046 485 H HA 0.200 4.756 4.556 -0.000 0.000 0.262 485 H C 0.302 175.509 175.328 -0.202 0.000 1.044 485 H CA -0.200 55.651 56.048 -0.330 0.000 1.209 485 H CB 0.527 29.923 29.762 -0.609 0.000 1.507 485 H HN 0.021 nan 8.280 nan 0.000 0.507 486 L N 4.563 125.748 121.223 -0.064 0.000 2.490 486 L HA 0.052 4.392 4.340 -0.000 0.000 0.274 486 L C -1.654 175.194 176.870 -0.037 0.000 1.201 486 L CA -1.354 53.475 54.840 -0.019 0.000 0.869 486 L CB 0.346 42.426 42.059 0.035 0.000 1.123 486 L HN -0.008 nan 8.230 nan 0.000 0.484 487 P HA 0.117 nan 4.420 nan 0.000 0.274 487 P C -0.589 176.665 177.300 -0.075 0.000 1.237 487 P CA -0.582 62.485 63.100 -0.056 0.000 0.793 487 P CB 1.042 32.708 31.700 -0.056 0.000 0.977 488 S N 0.164 115.802 115.700 -0.104 0.000 2.617 488 S HA 0.082 4.552 4.470 -0.000 0.000 0.259 488 S C 1.520 175.991 174.600 -0.215 0.000 1.301 488 S CA -0.523 57.591 58.200 -0.142 0.000 0.984 488 S CB -0.386 62.726 63.200 -0.146 0.000 0.954 488 S HN 0.222 nan 8.310 nan 0.000 0.572 489 V N 2.309 122.032 119.914 -0.318 0.000 2.261 489 V HA -0.073 4.047 4.120 -0.000 0.000 0.246 489 V C -0.416 175.281 176.094 -0.663 0.000 1.047 489 V CA 1.902 63.923 62.300 -0.466 0.000 1.015 489 V CB -1.999 29.519 31.823 -0.508 0.000 0.642 489 V HN 0.799 nan 8.190 nan 0.000 0.446 490 P HA -0.126 nan 4.420 nan 0.000 0.218 490 P C 1.726 178.839 177.300 -0.312 0.000 1.148 490 P CA 2.015 64.717 63.100 -0.663 0.000 0.822 490 P CB -0.291 31.130 31.700 -0.464 0.000 0.784 491 G N 0.438 109.094 108.800 -0.241 0.000 2.402 491 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 491 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 491 G C 1.500 176.326 174.900 -0.124 0.000 1.162 491 G CA 0.442 45.457 45.100 -0.141 0.000 0.777 491 G HN 0.235 nan 8.290 nan 0.000 0.539 492 L N 0.385 121.520 121.223 -0.147 0.000 2.141 492 L HA 0.173 4.513 4.340 -0.000 0.000 0.209 492 L C 2.651 179.455 176.870 -0.110 0.000 1.094 492 L CA 1.166 55.940 54.840 -0.111 0.000 0.763 492 L CB -0.280 41.715 42.059 -0.106 0.000 0.908 492 L HN 0.193 nan 8.230 nan 0.000 0.437 493 L N -1.172 119.956 121.223 -0.158 0.000 2.056 493 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 493 L C 2.771 179.592 176.870 -0.082 0.000 1.078 493 L CA 0.793 55.558 54.840 -0.126 0.000 0.749 493 L CB -0.631 41.321 42.059 -0.178 0.000 0.901 493 L HN 0.198 nan 8.230 nan 0.000 0.433 494 R N 0.033 120.482 120.500 -0.085 0.000 2.083 494 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 494 R C 2.143 178.419 176.300 -0.039 0.000 1.137 494 R CA 1.252 57.322 56.100 -0.050 0.000 0.951 494 R CB -0.914 29.357 30.300 -0.047 0.000 0.851 494 R HN 0.238 nan 8.270 nan 0.000 0.434 495 L N 0.771 121.967 121.223 -0.046 0.000 2.450 495 L HA -0.000 4.340 4.340 -0.000 0.000 0.224 495 L C 1.156 178.009 176.870 -0.028 0.000 1.149 495 L CA 1.109 55.929 54.840 -0.034 0.000 0.816 495 L CB -0.114 41.923 42.059 -0.037 0.000 0.932 495 L HN 0.041 nan 8.230 nan 0.000 0.449 496 I N 0.000 120.551 120.570 -0.032 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.286 61.300 -0.023 0.000 1.566 496 I CB 0.000 37.984 38.000 -0.026 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494