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 2c73_1_A 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 SGFMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLIGLTTI 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 0.000 175.490 175.510 -0.033 0.000 1.280 3 N CA 0.000 52.942 53.050 -0.180 0.000 0.885 3 N CB 0.000 38.415 38.487 -0.121 0.000 1.341 4 K N 0.104 120.513 120.400 0.015 0.000 2.259 4 K HA 0.737 5.057 4.320 -0.000 0.000 0.249 4 K C -0.818 175.822 176.600 0.067 0.000 0.942 4 K CA -0.581 55.732 56.287 0.043 0.000 0.816 4 K CB 2.338 34.849 32.500 0.019 0.000 1.155 4 K HN 0.480 nan 8.250 nan 0.000 0.428 5 C N -1.521 117.821 119.300 0.071 0.000 3.253 5 C HA 0.398 4.858 4.460 -0.000 0.000 0.362 5 C C 0.386 175.412 174.990 0.060 0.000 1.487 5 C CA -0.810 58.249 59.018 0.070 0.000 1.179 5 C CB 0.521 28.315 27.740 0.090 0.000 1.660 5 C HN 0.810 nan 8.230 nan 0.000 0.438 6 D N 0.450 120.888 120.400 0.064 0.000 2.106 6 D HA 0.096 4.736 4.640 -0.000 0.000 0.203 6 D C 0.382 176.747 176.300 0.108 0.000 0.977 6 D CA 1.752 55.800 54.000 0.079 0.000 0.844 6 D CB 0.101 40.948 40.800 0.078 0.000 1.002 6 D HN 0.485 nan 8.370 nan 0.000 0.461 7 V N 1.936 121.907 119.914 0.095 0.000 2.483 7 V HA 0.232 4.352 4.120 -0.000 0.000 0.297 7 V C 0.039 176.166 176.094 0.056 0.000 1.027 7 V CA -0.786 61.572 62.300 0.096 0.000 0.855 7 V CB 2.467 34.334 31.823 0.072 0.000 0.995 7 V HN -0.194 nan 8.190 nan 0.000 0.424 8 V N 5.514 125.457 119.914 0.047 0.000 2.546 8 V HA 0.371 4.491 4.120 -0.000 0.000 0.284 8 V C 0.020 176.107 176.094 -0.012 0.000 1.050 8 V CA -0.318 61.979 62.300 -0.004 0.000 0.981 8 V CB 1.782 33.594 31.823 -0.019 0.000 0.990 8 V HN 0.621 nan 8.190 nan 0.000 0.474 9 V N 5.874 125.765 119.914 -0.039 0.000 2.350 9 V HA 0.301 4.421 4.120 -0.000 0.000 0.285 9 V C -0.064 176.004 176.094 -0.044 0.000 1.014 9 V CA -0.608 61.675 62.300 -0.029 0.000 0.831 9 V CB 1.770 33.579 31.823 -0.023 0.000 1.000 9 V HN 0.619 nan 8.190 nan 0.000 0.433 10 V N 4.639 124.540 119.914 -0.023 0.000 2.427 10 V HA 0.731 4.851 4.120 -0.000 0.000 0.268 10 V C 0.818 176.914 176.094 0.003 0.000 1.046 10 V CA 0.630 62.918 62.300 -0.019 0.000 0.970 10 V CB 0.419 32.249 31.823 0.012 0.000 1.001 10 V HN 1.275 nan 8.190 nan 0.000 0.476 11 G N 3.757 112.546 108.800 -0.018 0.000 3.209 11 G HA2 0.168 4.128 3.960 -0.000 0.000 0.686 11 G HA3 0.168 4.128 3.960 -0.000 0.000 0.686 11 G C 0.068 174.967 174.900 -0.002 0.000 1.065 11 G CA -0.527 44.574 45.100 0.001 0.000 0.812 11 G HN 1.316 nan 8.290 nan 0.000 0.573 12 G N 0.987 109.783 108.800 -0.007 0.000 4.486 12 G HA2 0.704 4.664 3.960 -0.000 0.000 0.306 12 G HA3 0.704 4.664 3.960 -0.000 0.000 0.306 12 G C 0.813 175.723 174.900 0.018 0.000 1.331 12 G CA 0.890 45.987 45.100 -0.004 0.000 1.113 12 G HN 1.310 nan 8.290 nan 0.000 0.594 13 G N -0.232 108.590 108.800 0.037 0.000 2.563 13 G HA2 0.364 4.324 3.960 -0.000 0.000 0.283 13 G HA3 0.364 4.324 3.960 -0.000 0.000 0.283 13 G C 1.221 176.146 174.900 0.043 0.000 1.309 13 G CA -0.829 44.303 45.100 0.053 0.000 1.022 13 G HN 0.172 nan 8.290 nan 0.000 0.501 14 I N -0.448 120.150 120.570 0.047 0.000 2.236 14 I HA -0.250 3.920 4.170 -0.000 0.000 0.249 14 I C 2.959 179.100 176.117 0.040 0.000 1.102 14 I CA 1.641 62.962 61.300 0.036 0.000 1.365 14 I CB -0.043 37.983 38.000 0.044 0.000 1.051 14 I HN 0.468 nan 8.210 nan 0.000 0.420 15 S N 0.366 116.101 115.700 0.059 0.000 2.357 15 S HA -0.087 4.383 4.470 -0.000 0.000 0.221 15 S C 2.100 176.726 174.600 0.043 0.000 1.031 15 S CA 1.408 59.646 58.200 0.064 0.000 0.982 15 S CB -0.541 62.716 63.200 0.094 0.000 0.853 15 S HN 0.570 nan 8.310 nan 0.000 0.458 16 G N 1.884 110.708 108.800 0.039 0.000 2.446 16 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 16 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 16 G C 1.441 176.343 174.900 0.003 0.000 1.168 16 G CA 1.166 46.277 45.100 0.020 0.000 0.771 16 G HN 0.377 nan 8.290 nan 0.000 0.551 17 M N 1.243 120.843 119.600 0.000 0.000 2.117 17 M HA 0.044 4.524 4.480 -0.000 0.000 0.262 17 M C 2.986 179.276 176.300 -0.016 0.000 1.065 17 M CA 1.178 56.468 55.300 -0.016 0.000 1.114 17 M CB -1.384 31.204 32.600 -0.019 0.000 1.361 17 M HN 0.325 nan 8.290 nan 0.000 0.408 18 A N -0.183 122.634 122.820 -0.005 0.000 1.930 18 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 18 A C 2.421 180.003 177.584 -0.004 0.000 1.175 18 A CA 1.956 53.991 52.037 -0.003 0.000 0.627 18 A CB -0.829 18.176 19.000 0.009 0.000 0.815 18 A HN 0.471 nan 8.150 nan 0.000 0.443 19 A N -0.027 122.791 122.820 -0.003 0.000 1.873 19 A HA 0.197 4.517 4.320 -0.000 0.000 0.215 19 A C 2.532 180.110 177.584 -0.010 0.000 1.186 19 A CA 2.012 54.042 52.037 -0.012 0.000 0.616 19 A CB -1.105 17.889 19.000 -0.010 0.000 0.823 19 A HN 1.024 nan 8.150 nan 0.000 0.442 20 A N -0.280 122.536 122.820 -0.007 0.000 1.883 20 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 20 A C 2.166 179.763 177.584 0.021 0.000 1.186 20 A CA 2.082 54.118 52.037 -0.001 0.000 0.624 20 A CB -0.518 18.468 19.000 -0.024 0.000 0.822 20 A HN 0.532 nan 8.150 nan 0.000 0.444 21 K N -0.625 119.777 120.400 0.003 0.000 2.057 21 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 21 K C 1.990 178.626 176.600 0.059 0.000 1.049 21 K CA 1.516 57.816 56.287 0.023 0.000 0.931 21 K CB -0.287 32.211 32.500 -0.004 0.000 0.714 21 K HN 0.489 nan 8.250 nan 0.000 0.440 22 L N 1.019 122.257 121.223 0.025 0.000 2.141 22 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 22 L C 2.066 178.943 176.870 0.012 0.000 1.094 22 L CA 0.880 55.727 54.840 0.012 0.000 0.763 22 L CB -0.018 42.033 42.059 -0.014 0.000 0.908 22 L HN 0.235 nan 8.230 nan 0.000 0.437 23 L N -1.246 119.988 121.223 0.020 0.000 2.023 23 L HA -0.235 4.105 4.340 -0.000 0.000 0.205 23 L C 2.548 179.444 176.870 0.043 0.000 1.073 23 L CA 1.438 56.285 54.840 0.012 0.000 0.745 23 L CB -0.723 41.339 42.059 0.006 0.000 0.900 23 L HN 0.347 nan 8.230 nan 0.000 0.435 24 H N 0.033 119.092 119.070 -0.018 0.000 2.422 24 H HA -0.196 4.360 4.556 -0.000 0.000 0.298 24 H C 1.489 176.810 175.328 -0.012 0.000 1.098 24 H CA 1.808 57.849 56.048 -0.012 0.000 1.315 24 H CB 0.098 29.854 29.762 -0.010 0.000 1.382 24 H HN 0.237 nan 8.280 nan 0.000 0.523 25 D N -0.663 119.773 120.400 0.060 0.000 2.371 25 D HA -0.033 4.607 4.640 -0.000 0.000 0.221 25 D C 0.988 177.257 176.300 -0.052 0.000 0.986 25 D CA 0.743 54.741 54.000 -0.003 0.000 0.899 25 D CB 0.080 40.905 40.800 0.042 0.000 0.902 25 D HN 0.318 nan 8.370 nan 0.000 0.530 26 S N -0.893 114.773 115.700 -0.056 0.000 2.582 26 S HA 0.336 4.806 4.470 -0.000 0.000 0.234 26 S C 1.471 176.027 174.600 -0.073 0.000 0.961 26 S CA 0.161 58.329 58.200 -0.054 0.000 0.953 26 S CB 0.825 64.001 63.200 -0.039 0.000 0.800 26 S HN 0.343 nan 8.310 nan 0.000 0.471 27 G N 1.575 110.298 108.800 -0.127 0.000 2.168 27 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.257 27 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.257 27 G C -0.010 174.837 174.900 -0.088 0.000 0.997 27 G CA 0.118 45.137 45.100 -0.135 0.000 0.708 27 G HN 0.472 nan 8.290 nan 0.000 0.520 28 L N 0.287 121.473 121.223 -0.061 0.000 2.418 28 L HA 0.413 4.753 4.340 -0.000 0.000 0.265 28 L C 0.379 177.256 176.870 0.012 0.000 1.143 28 L CA -0.933 53.899 54.840 -0.013 0.000 0.809 28 L CB 0.650 42.711 42.059 0.004 0.000 1.124 28 L HN 0.024 nan 8.230 nan 0.000 0.456 29 N N 1.951 120.672 118.700 0.035 0.000 2.420 29 N HA 0.311 5.051 4.740 -0.000 0.000 0.249 29 N C -0.801 174.753 175.510 0.072 0.000 1.033 29 N CA -0.170 52.916 53.050 0.061 0.000 0.944 29 N CB 1.549 40.067 38.487 0.052 0.000 1.113 29 N HN 0.342 nan 8.380 nan 0.000 0.502 30 V N 0.155 120.122 119.914 0.088 0.000 2.815 30 V HA 0.740 4.860 4.120 -0.000 0.000 0.314 30 V C -0.194 175.928 176.094 0.047 0.000 1.064 30 V CA -0.690 61.648 62.300 0.063 0.000 0.952 30 V CB 2.007 33.865 31.823 0.058 0.000 1.020 30 V HN 0.155 nan 8.190 nan 0.000 0.439 31 V N 3.937 123.859 119.914 0.014 0.000 2.531 31 V HA 0.472 4.592 4.120 -0.000 0.000 0.301 31 V C -0.290 175.752 176.094 -0.087 0.000 1.034 31 V CA -0.514 61.768 62.300 -0.031 0.000 0.865 31 V CB 2.024 33.830 31.823 -0.027 0.000 0.995 31 V HN 0.849 nan 8.190 nan 0.000 0.424 32 V N 6.430 126.289 119.914 -0.092 0.000 2.364 32 V HA 0.402 4.522 4.120 -0.000 0.000 0.272 32 V C -0.044 175.962 176.094 -0.147 0.000 1.036 32 V CA -0.383 61.858 62.300 -0.099 0.000 0.880 32 V CB 1.232 33.015 31.823 -0.066 0.000 0.991 32 V HN 0.616 nan 8.190 nan 0.000 0.460 33 L N 4.622 125.740 121.223 -0.175 0.000 2.272 33 L HA 0.519 4.859 4.340 -0.000 0.000 0.284 33 L C 0.033 176.823 176.870 -0.134 0.000 1.045 33 L CA -0.288 54.431 54.840 -0.202 0.000 0.842 33 L CB 1.051 42.944 42.059 -0.277 0.000 1.224 33 L HN 0.615 nan 8.230 nan 0.000 0.430 34 E N 2.247 122.374 120.200 -0.123 0.000 2.151 34 E HA 0.454 4.804 4.350 -0.000 0.000 0.275 34 E C 0.377 176.874 176.600 -0.172 0.000 0.936 34 E CA -0.272 56.057 56.400 -0.118 0.000 0.777 34 E CB 2.047 31.696 29.700 -0.084 0.000 1.108 34 E HN 0.522 nan 8.360 nan 0.000 0.401 35 A N 5.561 128.217 122.820 -0.273 0.000 1.970 35 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 35 A C 1.069 178.386 177.584 -0.445 0.000 1.170 35 A CA 0.720 52.465 52.037 -0.487 0.000 0.645 35 A CB -0.060 18.316 19.000 -1.040 0.000 0.816 35 A HN 0.569 nan 8.150 nan 0.000 0.447 36 R N 0.255 120.564 120.500 -0.318 0.000 2.546 36 R HA 0.225 4.565 4.340 -0.000 0.000 0.266 36 R C -0.121 176.117 176.300 -0.104 0.000 1.086 36 R CA 0.131 56.126 56.100 -0.176 0.000 1.160 36 R CB 0.289 30.527 30.300 -0.102 0.000 1.138 36 R HN 0.424 nan 8.270 nan 0.000 0.567 37 D N 0.916 121.275 120.400 -0.068 0.000 2.344 37 D HA -0.030 4.610 4.640 -0.000 0.000 0.242 37 D C -0.215 176.071 176.300 -0.023 0.000 1.159 37 D CA 0.025 54.001 54.000 -0.041 0.000 0.859 37 D CB -0.093 40.691 40.800 -0.027 0.000 0.925 37 D HN 0.442 nan 8.370 nan 0.000 0.510 38 R N -1.649 118.836 120.500 -0.025 0.000 2.692 38 R HA 0.575 4.915 4.340 -0.000 0.000 0.269 38 R C -0.919 175.388 176.300 0.012 0.000 1.030 38 R CA -1.120 54.986 56.100 0.009 0.000 0.882 38 R CB 1.055 31.375 30.300 0.034 0.000 1.250 38 R HN -0.093 nan 8.270 nan 0.000 0.465 39 V N -1.624 118.310 119.914 0.034 0.000 3.211 39 V HA 0.885 5.005 4.120 -0.000 0.000 0.319 39 V C 0.927 177.068 176.094 0.078 0.000 1.096 39 V CA 0.267 62.588 62.300 0.035 0.000 1.029 39 V CB 0.917 32.748 31.823 0.013 0.000 1.137 39 V HN 1.234 nan 8.190 nan 0.000 0.453 40 G N -0.834 108.012 108.800 0.076 0.000 2.232 40 G HA2 0.000 3.960 3.960 -0.000 0.000 0.226 40 G HA3 0.000 3.960 3.960 -0.000 0.000 0.226 40 G C 1.493 176.476 174.900 0.139 0.000 0.996 40 G CA 0.724 45.891 45.100 0.111 0.000 0.626 40 G HN 2.423 nan 8.290 nan 0.000 0.509 41 G N 0.730 109.613 108.800 0.138 0.000 2.669 41 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.365 41 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.365 41 G C 1.233 176.282 174.900 0.249 0.000 1.119 41 G CA 1.991 47.197 45.100 0.175 0.000 0.908 41 G HN 1.102 nan 8.290 nan 0.000 0.615 42 R N 1.488 122.048 120.500 0.099 0.000 2.280 42 R HA 0.148 4.488 4.340 -0.000 0.000 0.207 42 R C 1.273 177.470 176.300 -0.171 0.000 1.043 42 R CA 1.035 57.024 56.100 -0.186 0.000 1.006 42 R CB -0.257 29.903 30.300 -0.233 0.000 0.885 42 R HN 0.665 nan 8.270 nan 0.000 0.467 43 T N -2.204 112.392 114.554 0.071 0.000 2.882 43 T HA 0.278 4.628 4.350 -0.000 0.000 0.287 43 T C -0.795 174.128 174.700 0.372 0.000 0.992 43 T CA -0.532 61.662 62.100 0.156 0.000 1.076 43 T CB 1.399 70.330 68.868 0.105 0.000 0.961 43 T HN 0.155 nan 8.240 nan 0.000 0.490 44 Y N 1.444 121.891 120.300 0.245 0.000 2.283 44 Y HA 0.335 4.885 4.550 0.000 0.000 0.329 44 Y C -0.963 175.057 175.900 0.199 0.000 1.181 44 Y CA -0.892 57.361 58.100 0.256 0.000 1.283 44 Y CB 0.790 39.483 38.460 0.388 0.000 1.186 44 Y HN 0.883 nan 8.280 nan 0.000 0.436 45 T N 7.091 121.524 114.554 -0.203 0.000 2.749 45 T HA 0.405 4.755 4.350 -0.000 0.000 0.295 45 T C -0.426 173.996 174.700 -0.462 0.000 0.936 45 T CA -0.213 61.741 62.100 -0.243 0.000 1.060 45 T CB 0.638 69.467 68.868 -0.065 0.000 0.904 45 T HN 0.586 nan 8.240 nan 0.000 0.500 46 L N 4.320 125.286 121.223 -0.429 0.000 2.334 46 L HA 0.631 4.971 4.340 -0.000 0.000 0.277 46 L C -0.175 176.640 176.870 -0.091 0.000 1.075 46 L CA -0.329 54.317 54.840 -0.324 0.000 0.804 46 L CB 0.748 42.658 42.059 -0.247 0.000 1.174 46 L HN 0.485 nan 8.230 nan 0.000 0.438 47 R N 3.464 123.937 120.500 -0.046 0.000 2.480 47 R HA 0.599 4.939 4.340 -0.000 0.000 0.306 47 R C -1.155 175.134 176.300 -0.018 0.000 0.958 47 R CA -0.555 55.539 56.100 -0.009 0.000 0.861 47 R CB 1.280 31.584 30.300 0.007 0.000 1.171 47 R HN 0.888 nan 8.270 nan 0.000 0.445 48 N N -0.717 117.956 118.700 -0.045 0.000 3.106 48 N HA 0.065 4.805 4.740 -0.000 0.000 0.253 48 N C -0.023 175.439 175.510 -0.080 0.000 1.506 48 N CA -0.858 52.160 53.050 -0.053 0.000 0.876 48 N CB 0.574 39.031 38.487 -0.051 0.000 1.452 48 N HN 0.156 nan 8.380 nan 0.000 0.542 49 Q N -0.179 119.577 119.800 -0.073 0.000 2.061 49 Q HA -0.040 4.300 4.340 -0.000 0.000 0.204 49 Q C 0.831 176.802 176.000 -0.047 0.000 0.984 49 Q CA 1.472 57.247 55.803 -0.047 0.000 0.846 49 Q CB -0.152 28.556 28.738 -0.050 0.000 0.902 49 Q HN 0.521 nan 8.270 nan 0.000 0.421 50 K N 0.086 120.367 120.400 -0.200 0.000 2.057 50 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 50 K C 2.092 178.560 176.600 -0.219 0.000 1.049 50 K CA 1.556 57.628 56.287 -0.357 0.000 0.931 50 K CB -0.322 31.589 32.500 -0.981 0.000 0.714 50 K HN 0.311 nan 8.250 nan 0.000 0.440 51 V N -2.372 117.369 119.914 -0.289 0.000 3.621 51 V HA 0.194 4.314 4.120 -0.000 0.000 0.263 51 V C 1.428 177.190 176.094 -0.553 0.000 1.272 51 V CA 0.912 63.001 62.300 -0.351 0.000 1.080 51 V CB 0.094 31.730 31.823 -0.311 0.000 0.816 51 V HN 0.356 nan 8.190 nan 0.000 0.451 52 K N 0.596 120.738 120.400 -0.431 0.000 11.093 52 K HA -0.290 4.030 4.320 -0.000 0.000 0.522 52 K C 0.180 176.680 176.600 -0.166 0.000 0.412 52 K CA 2.184 58.223 56.287 -0.414 0.000 1.899 52 K CB -1.656 30.328 32.500 -0.859 0.000 0.786 52 K HN 0.919 nan 8.250 nan 0.000 1.241 53 Y N -1.146 119.011 120.300 -0.239 0.000 2.605 53 Y HA 0.798 5.348 4.550 -0.000 0.000 0.343 53 Y C -1.025 174.834 175.900 -0.068 0.000 1.036 53 Y CA -0.711 57.310 58.100 -0.132 0.000 1.065 53 Y CB 2.171 40.572 38.460 -0.099 0.000 1.288 53 Y HN 0.125 nan 8.280 nan 0.000 0.481 54 V N 1.948 121.936 119.914 0.123 0.000 2.817 54 V HA 0.274 4.394 4.120 -0.000 0.000 0.303 54 V C -1.595 174.563 176.094 0.107 0.000 1.151 54 V CA -0.721 61.645 62.300 0.111 0.000 0.929 54 V CB 1.854 33.752 31.823 0.125 0.000 1.030 54 V HN 0.953 nan 8.190 nan 0.000 0.427 55 D N 5.704 126.181 120.400 0.127 0.000 2.371 55 D HA 0.277 4.917 4.640 -0.000 0.000 0.256 55 D C 0.767 177.131 176.300 0.106 0.000 1.193 55 D CA 0.207 54.255 54.000 0.080 0.000 0.881 55 D CB 1.920 42.743 40.800 0.038 0.000 1.143 55 D HN 0.508 nan 8.370 nan 0.000 0.473 56 L N 1.545 122.874 121.223 0.176 0.000 2.590 56 L HA 0.221 4.561 4.340 -0.000 0.000 0.227 56 L C 1.462 178.746 176.870 0.690 0.000 1.099 56 L CA -0.008 55.043 54.840 0.351 0.000 0.872 56 L CB 0.456 42.702 42.059 0.312 0.000 1.088 56 L HN 0.317 nan 8.230 nan 0.000 0.479 57 G N -0.633 108.497 108.800 0.551 0.000 3.135 57 G HA2 0.460 4.420 3.960 -0.000 0.000 0.159 57 G HA3 0.460 4.420 3.960 -0.000 0.000 0.159 57 G C -0.088 174.823 174.900 0.018 0.000 1.244 57 G CA -0.079 45.134 45.100 0.189 0.000 0.965 57 G HN 0.086 nan 8.290 nan 0.000 0.599 58 G N -1.270 107.468 108.800 -0.104 0.000 2.568 58 G HA2 0.349 4.309 3.960 -0.000 0.000 0.231 58 G HA3 0.349 4.309 3.960 -0.000 0.000 0.231 58 G C 0.638 175.499 174.900 -0.065 0.000 1.261 58 G CA 1.035 46.081 45.100 -0.090 0.000 0.855 58 G HN 1.203 nan 8.290 nan 0.000 0.576 59 S N 0.139 115.745 115.700 -0.158 0.000 2.842 59 S HA 0.123 4.593 4.470 -0.000 0.000 0.240 59 S C -0.149 174.185 174.600 -0.443 0.000 0.987 59 S CA -0.318 57.692 58.200 -0.317 0.000 1.166 59 S CB -0.221 62.647 63.200 -0.553 0.000 0.942 59 S HN 0.505 nan 8.310 nan 0.000 0.403 60 Y N 2.821 123.078 120.300 -0.071 0.000 2.310 60 Y HA 0.617 5.167 4.550 -0.000 0.000 0.326 60 Y C 0.307 176.096 175.900 -0.185 0.000 1.151 60 Y CA -0.315 57.702 58.100 -0.140 0.000 1.195 60 Y CB 1.510 39.928 38.460 -0.070 0.000 1.210 60 Y HN 0.168 nan 8.280 nan 0.000 0.483 61 V N -0.593 119.235 119.914 -0.142 0.000 3.159 61 V HA 1.098 5.218 4.120 -0.000 0.000 0.308 61 V C -0.464 175.463 176.094 -0.280 0.000 1.190 61 V CA -0.372 61.766 62.300 -0.271 0.000 1.037 61 V CB 1.724 33.315 31.823 -0.387 0.000 1.060 61 V HN 0.980 nan 8.190 nan 0.000 0.437 62 G N 0.221 108.811 108.800 -0.349 0.000 2.561 62 G HA2 0.683 4.643 3.960 -0.000 0.000 0.310 62 G HA3 0.683 4.643 3.960 -0.000 0.000 0.310 62 G C -3.491 171.249 174.900 -0.266 0.000 1.292 62 G CA -1.112 43.825 45.100 -0.271 0.000 0.811 62 G HN 0.705 nan 8.290 nan 0.000 0.482 63 P HA 0.141 nan 4.420 nan 0.000 0.264 63 P C 0.747 178.001 177.300 -0.076 0.000 1.179 63 P CA 2.275 65.318 63.100 -0.094 0.000 0.763 63 P CB 0.687 32.364 31.700 -0.038 0.000 0.806 64 T N -1.135 113.412 114.554 -0.012 0.000 6.412 64 T HA -0.275 4.075 4.350 -0.000 0.000 0.279 64 T C 0.183 174.878 174.700 -0.008 0.000 2.177 64 T CA 0.978 63.145 62.100 0.111 0.000 3.599 64 T CB -2.684 66.378 68.868 0.323 0.000 1.259 64 T HN 0.579 nan 8.240 nan 0.000 1.146 65 Q N 0.950 120.576 119.800 -0.290 0.000 3.008 65 Q HA 0.389 4.729 4.340 -0.000 0.000 0.307 65 Q C 0.852 176.745 176.000 -0.178 0.000 1.273 65 Q CA -0.551 54.989 55.803 -0.439 0.000 1.091 65 Q CB 0.351 28.643 28.738 -0.743 0.000 1.393 65 Q HN 0.451 nan 8.270 nan 0.000 0.521 66 N N 0.641 119.306 118.700 -0.058 0.000 2.409 66 N HA -0.044 4.696 4.740 -0.000 0.000 0.179 66 N C 1.181 176.698 175.510 0.011 0.000 1.032 66 N CA 0.725 53.772 53.050 -0.006 0.000 0.898 66 N CB 0.340 38.847 38.487 0.034 0.000 0.971 66 N HN 0.362 nan 8.380 nan 0.000 0.441 67 R N 0.629 121.138 120.500 0.015 0.000 2.055 67 R HA 0.030 4.370 4.340 -0.000 0.000 0.228 67 R C 2.086 178.403 176.300 0.028 0.000 1.143 67 R CA 0.694 56.812 56.100 0.031 0.000 0.945 67 R CB -0.468 29.862 30.300 0.051 0.000 0.841 67 R HN 0.055 nan 8.270 nan 0.000 0.429 68 I N 1.395 121.980 120.570 0.025 0.000 2.248 68 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 68 I C 1.893 178.078 176.117 0.112 0.000 1.107 68 I CA 1.475 62.814 61.300 0.065 0.000 1.373 68 I CB -0.093 37.964 38.000 0.094 0.000 1.055 68 I HN 0.145 nan 8.210 nan 0.000 0.418 69 L N 0.011 121.281 121.223 0.080 0.000 1.994 69 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 69 L C 2.784 179.698 176.870 0.074 0.000 1.071 69 L CA 1.586 56.486 54.840 0.100 0.000 0.745 69 L CB -0.852 41.221 42.059 0.024 0.000 0.892 69 L HN 0.272 nan 8.230 nan 0.000 0.431 70 R N 0.765 121.289 120.500 0.040 0.000 2.083 70 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 70 R C 2.318 178.624 176.300 0.011 0.000 1.137 70 R CA 1.968 58.083 56.100 0.025 0.000 0.951 70 R CB -0.793 29.521 30.300 0.023 0.000 0.851 70 R HN 0.260 nan 8.270 nan 0.000 0.434 71 L N 1.100 122.325 121.223 0.004 0.000 1.989 71 L HA -0.083 4.257 4.340 -0.000 0.000 0.211 71 L C 2.466 179.301 176.870 -0.059 0.000 1.071 71 L CA 2.550 57.377 54.840 -0.022 0.000 0.749 71 L CB -1.019 41.028 42.059 -0.020 0.000 0.890 71 L HN 0.248 nan 8.230 nan 0.000 0.431 72 A N -0.524 122.243 122.820 -0.089 0.000 1.933 72 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 72 A C 2.459 179.975 177.584 -0.113 0.000 1.175 72 A CA 2.038 53.950 52.037 -0.209 0.000 0.628 72 A CB -0.685 18.054 19.000 -0.435 0.000 0.814 72 A HN 0.584 nan 8.150 nan 0.000 0.444 73 K N -0.178 120.208 120.400 -0.023 0.000 1.985 73 K HA -0.227 4.093 4.320 -0.000 0.000 0.210 73 K C 2.058 178.649 176.600 -0.016 0.000 1.047 73 K CA 1.730 58.017 56.287 0.001 0.000 0.932 73 K CB -0.308 32.208 32.500 0.027 0.000 0.716 73 K HN 0.550 nan 8.250 nan 0.000 0.439 74 E N 0.510 120.700 120.200 -0.016 0.000 2.169 74 E HA -0.223 4.127 4.350 -0.000 0.000 0.202 74 E C 1.704 178.284 176.600 -0.033 0.000 1.016 74 E CA 1.552 57.941 56.400 -0.019 0.000 0.817 74 E CB -0.122 29.570 29.700 -0.014 0.000 0.736 74 E HN 0.409 nan 8.360 nan 0.000 0.462 75 L N -0.689 120.500 121.223 -0.057 0.000 2.610 75 L HA 0.110 4.450 4.340 -0.000 0.000 0.232 75 L C 1.379 178.208 176.870 -0.068 0.000 1.149 75 L CA 0.416 55.213 54.840 -0.071 0.000 0.872 75 L CB -0.015 41.981 42.059 -0.105 0.000 0.992 75 L HN 0.405 nan 8.230 nan 0.000 0.447 76 G N 0.352 109.121 108.800 -0.052 0.000 2.132 76 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.228 76 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.228 76 G C 0.018 174.894 174.900 -0.040 0.000 1.000 76 G CA -0.267 44.811 45.100 -0.037 0.000 0.693 76 G HN 0.221 nan 8.290 nan 0.000 0.515 77 L N -0.285 120.901 121.223 -0.061 0.000 2.360 77 L HA 0.753 5.093 4.340 -0.000 0.000 0.271 77 L C 0.608 177.510 176.870 0.054 0.000 1.057 77 L CA -0.763 54.044 54.840 -0.056 0.000 0.803 77 L CB 1.369 43.294 42.059 -0.224 0.000 1.207 77 L HN 0.151 nan 8.230 nan 0.000 0.445 78 E N -0.021 120.255 120.200 0.126 0.000 2.336 78 E HA 0.443 4.793 4.350 -0.000 0.000 0.267 78 E C -1.086 175.675 176.600 0.268 0.000 0.906 78 E CA -0.584 55.918 56.400 0.171 0.000 0.781 78 E CB 2.653 32.423 29.700 0.117 0.000 1.261 78 E HN 0.665 nan 8.360 nan 0.000 0.436 79 T N -0.939 113.724 114.554 0.181 0.000 2.940 79 T HA 0.628 4.978 4.350 -0.000 0.000 0.288 79 T C -0.714 174.066 174.700 0.133 0.000 1.033 79 T CA -0.662 61.477 62.100 0.065 0.000 1.033 79 T CB 0.741 69.527 68.868 -0.137 0.000 1.079 79 T HN 0.489 nan 8.240 nan 0.000 0.496 80 Y N -0.969 119.329 120.300 -0.003 0.000 2.605 80 Y HA 0.744 5.294 4.550 0.000 0.000 0.343 80 Y C -0.611 175.291 175.900 0.003 0.000 1.036 80 Y CA -1.564 56.545 58.100 0.014 0.000 1.065 80 Y CB 1.389 39.876 38.460 0.044 0.000 1.288 80 Y HN 0.634 nan 8.280 nan 0.000 0.481 81 K N 2.132 122.592 120.400 0.100 0.000 2.276 81 K HA 0.400 4.720 4.320 -0.000 0.000 0.283 81 K C -0.752 175.888 176.600 0.065 0.000 1.044 81 K CA -0.672 55.618 56.287 0.005 0.000 0.944 81 K CB 1.425 33.957 32.500 0.055 0.000 1.012 81 K HN 0.586 nan 8.250 nan 0.000 0.472 82 V N 3.283 123.170 119.914 -0.044 0.000 2.788 82 V HA -0.121 3.999 4.120 -0.000 0.000 0.307 82 V C 0.561 176.709 176.094 0.090 0.000 1.069 82 V CA -0.060 62.277 62.300 0.061 0.000 1.173 82 V CB 0.359 32.194 31.823 0.021 0.000 0.925 82 V HN 0.742 nan 8.190 nan 0.000 0.492 83 N N 3.788 122.566 118.700 0.130 0.000 2.427 83 N HA 0.017 4.757 4.740 -0.000 0.000 0.269 83 N C 0.289 175.825 175.510 0.044 0.000 1.235 83 N CA 0.506 53.615 53.050 0.098 0.000 0.934 83 N CB 0.255 38.821 38.487 0.132 0.000 1.121 83 N HN 0.797 nan 8.380 nan 0.000 0.480 84 E N 3.017 123.232 120.200 0.025 0.000 3.029 84 E HA 0.097 4.447 4.350 -0.000 0.000 0.196 84 E C 0.331 176.932 176.600 0.000 0.000 0.973 84 E CA -0.027 56.368 56.400 -0.007 0.000 1.242 84 E CB 0.385 30.069 29.700 -0.027 0.000 1.056 84 E HN 0.448 nan 8.360 nan 0.000 0.469 85 V N 0.600 120.525 119.914 0.019 0.000 2.323 85 V HA -0.150 3.970 4.120 -0.000 0.000 0.244 85 V C 0.914 177.016 176.094 0.013 0.000 1.041 85 V CA 1.586 63.896 62.300 0.017 0.000 1.025 85 V CB -0.026 31.809 31.823 0.021 0.000 0.656 85 V HN 0.231 nan 8.190 nan 0.000 0.451 86 E N -0.663 119.549 120.200 0.020 0.000 2.849 86 E HA 0.372 4.722 4.350 -0.000 0.000 0.257 86 E C 0.202 176.811 176.600 0.015 0.000 1.306 86 E CA -0.608 55.806 56.400 0.024 0.000 1.058 86 E CB 0.245 29.970 29.700 0.042 0.000 1.249 86 E HN 0.275 nan 8.360 nan 0.000 0.638 87 R N 0.296 120.824 120.500 0.046 0.000 2.543 87 R HA 0.223 4.563 4.340 -0.000 0.000 0.277 87 R C -0.537 175.717 176.300 -0.076 0.000 1.074 87 R CA -0.482 55.623 56.100 0.009 0.000 1.076 87 R CB 0.095 30.466 30.300 0.118 0.000 0.993 87 R HN 0.181 nan 8.270 nan 0.000 0.459 88 L N 3.224 124.226 121.223 -0.368 0.000 2.456 88 L HA 0.367 4.707 4.340 -0.000 0.000 0.257 88 L C 0.260 176.852 176.870 -0.463 0.000 1.162 88 L CA 0.233 54.746 54.840 -0.545 0.000 0.808 88 L CB 0.368 41.852 42.059 -0.958 0.000 1.136 88 L HN 0.467 nan 8.230 nan 0.000 0.466 89 I N 0.366 120.807 120.570 -0.215 0.000 2.465 89 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 89 I C -0.514 175.850 176.117 0.412 0.000 1.014 89 I CA -0.480 60.857 61.300 0.062 0.000 1.093 89 I CB 1.530 39.443 38.000 -0.146 0.000 1.267 89 I HN 0.557 nan 8.210 nan 0.000 0.431 90 H N 5.452 124.837 119.070 0.525 0.000 2.581 90 H HA 0.285 4.841 4.556 -0.000 0.000 0.308 90 H C -1.191 174.385 175.328 0.414 0.000 1.040 90 H CA -0.711 55.603 56.048 0.443 0.000 1.231 90 H CB 0.756 30.724 29.762 0.344 0.000 1.396 90 H HN 0.589 nan 8.280 nan 0.000 0.467 91 H N 4.564 123.736 119.070 0.170 0.000 2.640 91 H HA 0.330 4.886 4.556 -0.000 0.000 0.297 91 H C -1.277 174.026 175.328 -0.042 0.000 1.073 91 H CA -0.275 55.808 56.048 0.059 0.000 1.305 91 H CB 0.599 30.403 29.762 0.071 0.000 1.404 91 H HN 0.333 nan 8.280 nan 0.000 0.459 92 V N 5.748 125.511 119.914 -0.253 0.000 2.709 92 V HA 0.257 4.377 4.120 -0.000 0.000 0.308 92 V C -0.642 175.378 176.094 -0.123 0.000 1.062 92 V CA -0.913 61.272 62.300 -0.191 0.000 0.901 92 V CB 1.343 32.977 31.823 -0.315 0.000 1.003 92 V HN 1.052 nan 8.190 nan 0.000 0.425 93 K N 4.811 125.168 120.400 -0.072 0.000 3.071 93 K HA -0.225 4.095 4.320 -0.000 0.000 0.262 93 K C 0.945 177.492 176.600 -0.089 0.000 0.977 93 K CA 0.865 57.130 56.287 -0.037 0.000 0.721 93 K CB -1.978 30.526 32.500 0.005 0.000 1.293 93 K HN 1.966 nan 8.250 nan 0.000 0.475 94 G N -0.347 108.320 108.800 -0.223 0.000 2.159 94 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.256 94 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.256 94 G C -0.074 174.612 174.900 -0.356 0.000 0.977 94 G CA 0.841 45.818 45.100 -0.204 0.000 0.652 94 G HN 0.372 nan 8.290 nan 0.000 0.531 95 K N 0.043 120.111 120.400 -0.554 0.000 2.328 95 K HA 0.644 4.964 4.320 -0.000 0.000 0.246 95 K C -0.608 175.690 176.600 -0.502 0.000 0.955 95 K CA -0.580 55.451 56.287 -0.427 0.000 0.817 95 K CB 1.850 34.093 32.500 -0.428 0.000 1.208 95 K HN 0.090 nan 8.250 nan 0.000 0.432 96 S N 1.292 116.829 115.700 -0.270 0.000 2.462 96 S HA 0.408 4.878 4.470 -0.000 0.000 0.294 96 S C -1.216 173.212 174.600 -0.287 0.000 1.144 96 S CA -0.572 57.585 58.200 -0.071 0.000 1.088 96 S CB 0.319 63.572 63.200 0.088 0.000 1.009 96 S HN 0.377 nan 8.310 nan 0.000 0.484 97 Y N 2.889 123.294 120.300 0.176 0.000 2.686 97 Y HA 0.326 4.876 4.550 -0.000 0.000 0.331 97 Y C -2.337 173.775 175.900 0.353 0.000 0.996 97 Y CA -2.322 55.917 58.100 0.231 0.000 1.293 97 Y CB 0.886 39.466 38.460 0.200 0.000 1.092 97 Y HN 0.448 nan 8.280 nan 0.000 0.524 98 P HA 0.214 nan 4.420 nan 0.000 0.271 98 P C -0.725 176.853 177.300 0.464 0.000 1.218 98 P CA 0.170 63.487 63.100 0.361 0.000 0.780 98 P CB 0.938 32.848 31.700 0.350 0.000 0.901 99 F N -0.798 119.274 119.950 0.205 0.000 2.848 99 F HA 0.745 5.272 4.527 -0.000 0.000 0.321 99 F C -1.044 174.838 175.800 0.136 0.000 1.179 99 F CA -1.368 56.740 58.000 0.179 0.000 0.932 99 F CB 1.410 40.515 39.000 0.176 0.000 1.392 99 F HN 0.074 nan 8.300 nan 0.000 0.488 100 R N 0.326 120.970 120.500 0.240 0.000 2.725 100 R HA 0.657 4.997 4.340 -0.000 0.000 0.277 100 R C -0.871 175.579 176.300 0.250 0.000 0.987 100 R CA -0.731 55.432 56.100 0.105 0.000 0.901 100 R CB 1.974 32.341 30.300 0.112 0.000 1.207 100 R HN 1.514 nan 8.270 nan 0.000 0.463 101 G N 2.788 111.679 108.800 0.152 0.000 2.767 101 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 101 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 101 G C -1.788 173.266 174.900 0.257 0.000 1.213 101 G CA -0.878 44.327 45.100 0.176 0.000 0.803 101 G HN 0.471 nan 8.290 nan 0.000 0.603 102 P HA 0.000 nan 4.420 nan 0.000 0.225 102 P C 0.466 177.730 177.300 -0.059 0.000 1.148 102 P CA 0.961 64.081 63.100 0.033 0.000 0.779 102 P CB 0.126 31.760 31.700 -0.110 0.000 0.780 103 F N 1.444 121.410 119.950 0.027 0.000 2.436 103 F HA 0.408 4.935 4.527 -0.000 0.000 0.340 103 F C -1.938 173.633 175.800 -0.382 0.000 1.113 103 F CA -2.901 55.000 58.000 -0.166 0.000 1.022 103 F CB 1.062 39.914 39.000 -0.246 0.000 1.128 103 F HN -0.284 nan 8.300 nan 0.000 0.466 104 P HA 0.112 nan 4.420 nan 0.000 0.271 104 P C -2.429 174.539 177.300 -0.552 0.000 1.226 104 P CA -0.936 61.445 63.100 -1.198 0.000 0.765 104 P CB -0.100 31.069 31.700 -0.886 0.000 0.835 105 P HA 0.142 nan 4.420 nan 0.000 0.274 105 P C -0.960 175.970 177.300 -0.617 0.000 1.237 105 P CA -0.122 62.675 63.100 -0.506 0.000 0.793 105 P CB 0.855 32.232 31.700 -0.539 0.000 0.977 106 V N 2.752 122.246 119.914 -0.698 0.000 2.569 106 V HA 0.299 4.419 4.120 -0.000 0.000 0.301 106 V C -0.245 175.532 176.094 -0.528 0.000 1.044 106 V CA -0.517 61.438 62.300 -0.575 0.000 0.874 106 V CB 1.251 32.755 31.823 -0.532 0.000 1.002 106 V HN 0.591 nan 8.190 nan 0.000 0.424 107 W N 2.881 124.155 121.300 -0.044 0.000 2.526 107 W HA 0.224 4.884 4.660 0.000 0.000 0.294 107 W C 1.363 177.862 176.519 -0.032 0.000 1.181 107 W CA 0.113 57.429 57.345 -0.048 0.000 1.373 107 W CB 0.007 29.439 29.460 -0.046 0.000 1.112 107 W HN 0.584 nan 8.180 nan 0.000 0.545 108 N N 2.330 121.142 118.700 0.187 0.000 2.315 108 N HA -0.087 4.653 4.740 -0.000 0.000 0.270 108 N C -1.772 173.811 175.510 0.121 0.000 1.329 108 N CA -0.111 53.013 53.050 0.123 0.000 0.860 108 N CB 0.999 39.536 38.487 0.084 0.000 1.095 108 N HN -0.101 nan 8.380 nan 0.000 0.487 109 P HA -0.093 nan 4.420 nan 0.000 0.218 109 P C 1.484 178.863 177.300 0.131 0.000 1.149 109 P CA 0.663 63.830 63.100 0.112 0.000 0.817 109 P CB 0.331 32.069 31.700 0.065 0.000 0.785 110 I N -0.524 120.102 120.570 0.093 0.000 2.202 110 I HA -0.155 4.015 4.170 -0.000 0.000 0.242 110 I C 1.966 178.139 176.117 0.092 0.000 1.091 110 I CA 1.806 63.152 61.300 0.077 0.000 1.368 110 I CB -2.145 35.892 38.000 0.063 0.000 1.058 110 I HN 0.016 nan 8.210 nan 0.000 0.410 111 T N 0.611 115.226 114.554 0.102 0.000 2.720 111 T HA -0.269 4.081 4.350 -0.000 0.000 0.268 111 T C 1.900 176.666 174.700 0.111 0.000 1.037 111 T CA 1.646 63.818 62.100 0.120 0.000 1.144 111 T CB -0.744 68.168 68.868 0.074 0.000 0.864 111 T HN 0.353 nan 8.240 nan 0.000 0.444 112 Y N 1.590 121.869 120.300 -0.035 0.000 2.224 112 Y HA -0.052 4.498 4.550 0.000 0.000 0.289 112 Y C 1.987 177.884 175.900 -0.005 0.000 1.146 112 Y CA 1.040 59.094 58.100 -0.076 0.000 1.182 112 Y CB -0.402 38.002 38.460 -0.093 0.000 0.983 112 Y HN 0.128 nan 8.280 nan 0.000 0.524 113 L N -0.255 120.973 121.223 0.010 0.000 2.156 113 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 113 L C 1.986 178.797 176.870 -0.100 0.000 1.095 113 L CA 1.659 56.466 54.840 -0.056 0.000 0.770 113 L CB -0.474 41.593 42.059 0.014 0.000 0.914 113 L HN 0.229 nan 8.230 nan 0.000 0.439 114 D N -1.012 119.370 120.400 -0.030 0.000 2.137 114 D HA -0.169 4.471 4.640 -0.000 0.000 0.202 114 D C 2.193 178.459 176.300 -0.057 0.000 0.970 114 D CA 1.097 55.089 54.000 -0.014 0.000 0.837 114 D CB 0.129 40.960 40.800 0.051 0.000 0.981 114 D HN 0.261 nan 8.370 nan 0.000 0.475 115 H N -0.457 118.510 119.070 -0.172 0.000 2.293 115 H HA -0.112 4.444 4.556 0.000 0.000 0.300 115 H C 1.962 177.188 175.328 -0.169 0.000 1.082 115 H CA 1.429 57.373 56.048 -0.173 0.000 1.308 115 H CB -0.142 29.544 29.762 -0.127 0.000 1.375 115 H HN 0.164 nan 8.280 nan 0.000 0.495 116 N N 1.016 119.595 118.700 -0.202 0.000 2.036 116 N HA -0.187 4.553 4.740 -0.000 0.000 0.195 116 N C 1.786 177.211 175.510 -0.140 0.000 1.037 116 N CA 1.536 54.433 53.050 -0.256 0.000 0.855 116 N CB -0.376 37.825 38.487 -0.477 0.000 1.033 116 N HN 0.278 nan 8.380 nan 0.000 0.423 117 N N -0.724 117.891 118.700 -0.141 0.000 2.223 117 N HA -0.195 4.545 4.740 -0.000 0.000 0.185 117 N C 1.759 177.198 175.510 -0.119 0.000 1.016 117 N CA 0.822 53.801 53.050 -0.118 0.000 0.863 117 N CB -0.319 38.108 38.487 -0.101 0.000 0.983 117 N HN 0.324 nan 8.380 nan 0.000 0.429 118 F N 0.692 120.466 119.950 -0.292 0.000 2.046 118 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 118 F C 1.798 177.368 175.800 -0.383 0.000 1.123 118 F CA 1.764 59.515 58.000 -0.416 0.000 1.199 118 F CB -0.912 37.689 39.000 -0.665 0.000 0.972 118 F HN 0.053 nan 8.300 nan 0.000 0.474 119 W N 0.554 121.620 121.300 -0.390 0.000 2.358 119 W HA -0.087 4.573 4.660 -0.000 0.000 0.303 119 W C 2.800 179.083 176.519 -0.393 0.000 1.208 119 W CA 1.294 58.353 57.345 -0.477 0.000 1.274 119 W CB -0.669 28.604 29.460 -0.312 0.000 1.138 119 W HN -0.067 nan 8.180 nan 0.000 0.515 120 R N 0.220 120.677 120.500 -0.073 0.000 2.091 120 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 120 R C 1.864 178.065 176.300 -0.166 0.000 1.136 120 R CA 2.189 58.215 56.100 -0.123 0.000 0.959 120 R CB -0.665 29.555 30.300 -0.133 0.000 0.856 120 R HN 0.060 nan 8.270 nan 0.000 0.437 121 T N 1.328 115.751 114.554 -0.217 0.000 2.777 121 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 121 T C 1.865 176.402 174.700 -0.271 0.000 1.040 121 T CA 1.252 63.222 62.100 -0.217 0.000 1.141 121 T CB -0.058 68.693 68.868 -0.195 0.000 0.868 121 T HN 0.152 nan 8.240 nan 0.000 0.444 122 M N 1.798 121.162 119.600 -0.394 0.000 2.151 122 M HA -0.169 4.311 4.480 -0.000 0.000 0.256 122 M C 1.888 178.069 176.300 -0.198 0.000 1.072 122 M CA 1.737 56.843 55.300 -0.322 0.000 1.090 122 M CB -1.190 31.220 32.600 -0.317 0.000 1.294 122 M HN 0.195 nan 8.290 nan 0.000 0.415 123 D N 0.159 120.465 120.400 -0.157 0.000 2.178 123 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 123 D C 1.615 177.850 176.300 -0.109 0.000 0.974 123 D CA 0.963 54.889 54.000 -0.124 0.000 0.841 123 D CB -0.286 40.450 40.800 -0.107 0.000 0.953 123 D HN 0.328 nan 8.370 nan 0.000 0.478 124 D N 0.191 120.525 120.400 -0.110 0.000 2.097 124 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 124 D C 2.176 178.463 176.300 -0.023 0.000 0.984 124 D CA 0.670 54.629 54.000 -0.069 0.000 0.826 124 D CB -0.209 40.549 40.800 -0.070 0.000 0.973 124 D HN 0.226 nan 8.370 nan 0.000 0.460 125 M N 0.296 119.851 119.600 -0.075 0.000 2.159 125 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 125 M C 2.284 178.614 176.300 0.050 0.000 1.063 125 M CA 1.495 56.759 55.300 -0.060 0.000 1.110 125 M CB -0.400 31.891 32.600 -0.515 0.000 1.374 125 M HN 0.032 nan 8.290 nan 0.000 0.411 126 G N 0.396 109.167 108.800 -0.049 0.000 2.476 126 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 126 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 126 G C 1.620 176.516 174.900 -0.007 0.000 1.164 126 G CA 0.876 45.950 45.100 -0.043 0.000 0.768 126 G HN 0.408 nan 8.290 nan 0.000 0.560 127 R N 0.119 120.611 120.500 -0.012 0.000 2.237 127 R HA -0.006 4.334 4.340 -0.000 0.000 0.219 127 R C 1.958 178.262 176.300 0.006 0.000 1.080 127 R CA 0.871 56.956 56.100 -0.024 0.000 0.995 127 R CB 0.036 30.317 30.300 -0.033 0.000 0.875 127 R HN 0.329 nan 8.270 nan 0.000 0.462 128 E N 0.136 120.382 120.200 0.075 0.000 2.478 128 E HA 0.063 4.413 4.350 -0.000 0.000 0.194 128 E C 0.198 176.821 176.600 0.038 0.000 1.045 128 E CA 0.404 56.842 56.400 0.062 0.000 0.868 128 E CB 0.421 30.197 29.700 0.127 0.000 0.885 128 E HN 0.310 nan 8.360 nan 0.000 0.505 129 I N 3.022 123.639 120.570 0.079 0.000 2.328 129 I HA 0.191 4.361 4.170 -0.000 0.000 0.287 129 I C -2.398 173.716 176.117 -0.004 0.000 1.012 129 I CA -2.327 59.012 61.300 0.064 0.000 1.195 129 I CB 1.335 39.440 38.000 0.176 0.000 1.350 129 I HN -0.330 nan 8.210 nan 0.000 0.464 130 P HA 0.095 nan 4.420 nan 0.000 0.268 130 P C 0.454 177.718 177.300 -0.060 0.000 1.204 130 P CA 0.161 63.186 63.100 -0.126 0.000 0.768 130 P CB 0.916 32.482 31.700 -0.223 0.000 0.842 131 S N 1.553 117.230 115.700 -0.038 0.000 2.402 131 S HA -0.123 4.347 4.470 -0.000 0.000 0.229 131 S C 1.198 175.892 174.600 0.157 0.000 1.021 131 S CA 1.470 59.724 58.200 0.091 0.000 0.974 131 S CB -0.449 62.705 63.200 -0.077 0.000 0.800 131 S HN 0.656 nan 8.310 nan 0.000 0.484 132 D N -0.118 120.224 120.400 -0.097 0.000 2.369 132 D HA 0.284 4.924 4.640 -0.000 0.000 0.211 132 D C 0.217 176.288 176.300 -0.381 0.000 1.077 132 D CA 0.184 54.083 54.000 -0.168 0.000 0.842 132 D CB 0.353 40.995 40.800 -0.264 0.000 0.947 132 D HN 0.233 nan 8.370 nan 0.000 0.509 133 A N 1.561 123.981 122.820 -0.666 0.000 3.330 133 A HA 0.353 4.673 4.320 -0.000 0.000 0.256 133 A C -2.325 174.402 177.584 -1.429 0.000 1.185 133 A CA -0.715 50.420 52.037 -1.503 0.000 0.940 133 A CB 0.942 19.390 19.000 -0.919 0.000 1.397 133 A HN -0.116 nan 8.150 nan 0.000 0.678 134 P HA -0.120 nan 4.420 nan 0.000 0.226 134 P C 1.096 178.170 177.300 -0.377 0.000 1.153 134 P CA 0.992 63.758 63.100 -0.556 0.000 0.777 134 P CB -0.360 31.038 31.700 -0.504 0.000 0.794 135 W N 0.451 121.685 121.300 -0.111 0.000 2.848 135 W HA 0.160 4.820 4.660 0.000 0.000 0.241 135 W C 1.254 177.732 176.519 -0.069 0.000 1.289 135 W CA 0.274 57.572 57.345 -0.078 0.000 1.396 135 W CB -1.318 28.091 29.460 -0.085 0.000 1.138 135 W HN -0.097 nan 8.180 nan 0.000 0.677 136 K N 0.617 120.851 120.400 -0.277 0.000 2.358 136 K HA 0.349 4.669 4.320 -0.000 0.000 0.197 136 K C 1.057 177.568 176.600 -0.148 0.000 1.025 136 K CA 0.033 56.222 56.287 -0.163 0.000 1.104 136 K CB 0.134 32.494 32.500 -0.232 0.000 0.855 136 K HN 0.074 nan 8.250 nan 0.000 0.531 137 A N 2.175 124.904 122.820 -0.152 0.000 2.587 137 A HA 0.020 4.340 4.320 -0.000 0.000 0.233 137 A C -1.630 175.828 177.584 -0.211 0.000 1.049 137 A CA -0.802 51.135 52.037 -0.166 0.000 0.754 137 A CB -0.021 18.889 19.000 -0.150 0.000 0.977 137 A HN 0.026 nan 8.150 nan 0.000 0.509 138 P HA -0.136 nan 4.420 nan 0.000 0.216 138 P C 0.583 177.692 177.300 -0.318 0.000 1.153 138 P CA 1.285 64.244 63.100 -0.235 0.000 0.858 138 P CB 0.059 31.632 31.700 -0.212 0.000 0.789 139 L N -2.546 118.333 121.223 -0.574 0.000 2.965 139 L HA 0.353 4.693 4.340 -0.000 0.000 0.254 139 L C 1.873 178.348 176.870 -0.657 0.000 1.220 139 L CA -0.229 54.192 54.840 -0.698 0.000 1.023 139 L CB -0.414 40.973 42.059 -1.121 0.000 1.355 139 L HN -0.108 nan 8.230 nan 0.000 0.545 140 A N 0.779 123.380 122.820 -0.365 0.000 1.896 140 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 140 A C 2.165 179.755 177.584 0.009 0.000 1.206 140 A CA 2.021 53.998 52.037 -0.100 0.000 0.647 140 A CB -0.227 18.759 19.000 -0.023 0.000 0.828 140 A HN 0.513 nan 8.150 nan 0.000 0.455 141 E N -1.014 119.175 120.200 -0.019 0.000 2.031 141 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 141 E C 2.141 178.780 176.600 0.065 0.000 0.994 141 E CA 1.183 57.603 56.400 0.033 0.000 0.800 141 E CB -0.315 29.391 29.700 0.009 0.000 0.752 141 E HN 0.819 nan 8.360 nan 0.000 0.447 142 E N 0.079 120.291 120.200 0.019 0.000 2.070 142 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 142 E C 1.718 178.488 176.600 0.284 0.000 1.004 142 E CA 1.233 57.690 56.400 0.095 0.000 0.805 142 E CB -0.001 29.712 29.700 0.020 0.000 0.744 142 E HN 0.312 nan 8.360 nan 0.000 0.451 143 W N 0.628 121.970 121.300 0.070 0.000 2.584 143 W HA -0.003 4.657 4.660 0.000 0.000 0.264 143 W C 1.832 178.422 176.519 0.119 0.000 1.264 143 W CA 0.405 57.803 57.345 0.090 0.000 1.306 143 W CB -0.724 28.788 29.460 0.086 0.000 1.110 143 W HN 0.187 nan 8.180 nan 0.000 0.606 144 D N -0.430 120.169 120.400 0.331 0.000 2.289 144 D HA -0.098 4.542 4.640 -0.000 0.000 0.207 144 D C 1.181 177.612 176.300 0.218 0.000 0.966 144 D CA 0.858 55.020 54.000 0.271 0.000 0.868 144 D CB -0.193 40.744 40.800 0.228 0.000 0.943 144 D HN -0.141 nan 8.370 nan 0.000 0.514 145 N N 0.097 118.908 118.700 0.185 0.000 2.370 145 N HA 0.103 4.843 4.740 -0.000 0.000 0.198 145 N C -0.095 175.496 175.510 0.135 0.000 1.156 145 N CA 0.139 53.274 53.050 0.142 0.000 0.839 145 N CB 0.085 38.639 38.487 0.112 0.000 0.989 145 N HN 0.465 nan 8.380 nan 0.000 0.468 146 M N -1.929 117.765 119.600 0.158 0.000 2.501 146 M HA 0.462 4.942 4.480 -0.000 0.000 0.293 146 M C -0.105 176.275 176.300 0.134 0.000 1.192 146 M CA -0.855 54.522 55.300 0.129 0.000 0.886 146 M CB 2.077 34.752 32.600 0.125 0.000 1.710 146 M HN -0.124 nan 8.290 nan 0.000 0.457 147 T N -0.852 113.764 114.554 0.104 0.000 2.824 147 T HA 0.327 4.677 4.350 -0.000 0.000 0.277 147 T C 0.891 175.630 174.700 0.064 0.000 0.975 147 T CA -0.780 61.381 62.100 0.101 0.000 0.966 147 T CB 0.832 69.754 68.868 0.090 0.000 1.054 147 T HN 0.803 nan 8.240 nan 0.000 0.533 148 M N 0.257 119.872 119.600 0.026 0.000 2.557 148 M HA 0.083 4.563 4.480 -0.000 0.000 0.259 148 M C 1.952 178.216 176.300 -0.060 0.000 1.086 148 M CA 1.146 56.421 55.300 -0.042 0.000 1.096 148 M CB -1.016 31.469 32.600 -0.192 0.000 1.424 148 M HN 0.850 nan 8.290 nan 0.000 0.488 149 K N 0.143 120.522 120.400 -0.035 0.000 2.242 149 K HA -0.046 4.274 4.320 -0.000 0.000 0.200 149 K C 1.378 177.963 176.600 -0.026 0.000 1.050 149 K CA 0.628 56.893 56.287 -0.037 0.000 0.981 149 K CB 0.175 32.678 32.500 0.005 0.000 0.795 149 K HN 0.275 nan 8.250 nan 0.000 0.477 150 E N 0.994 121.193 120.200 -0.001 0.000 2.085 150 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 150 E C 1.973 178.566 176.600 -0.011 0.000 0.994 150 E CA 1.179 57.578 56.400 -0.002 0.000 0.801 150 E CB -0.079 29.636 29.700 0.025 0.000 0.743 150 E HN 0.162 nan 8.360 nan 0.000 0.453 151 L N 0.870 122.089 121.223 -0.007 0.000 2.056 151 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 151 L C 2.008 178.870 176.870 -0.013 0.000 1.078 151 L CA 1.440 56.274 54.840 -0.010 0.000 0.749 151 L CB -0.207 41.840 42.059 -0.020 0.000 0.901 151 L HN 0.108 nan 8.230 nan 0.000 0.433 152 L N -0.921 120.278 121.223 -0.039 0.000 2.056 152 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 152 L C 2.245 179.041 176.870 -0.124 0.000 1.078 152 L CA 1.164 55.944 54.840 -0.100 0.000 0.749 152 L CB -0.925 41.030 42.059 -0.173 0.000 0.901 152 L HN 0.268 nan 8.230 nan 0.000 0.433 153 D N 0.390 120.726 120.400 -0.107 0.000 2.133 153 D HA -0.239 4.401 4.640 -0.000 0.000 0.195 153 D C 2.096 178.307 176.300 -0.148 0.000 0.997 153 D CA 1.428 55.351 54.000 -0.129 0.000 0.840 153 D CB -0.009 40.731 40.800 -0.101 0.000 0.947 153 D HN 0.257 nan 8.370 nan 0.000 0.452 154 K N -0.297 120.050 120.400 -0.089 0.000 2.062 154 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 154 K C 1.998 178.590 176.600 -0.014 0.000 1.051 154 K CA 0.466 56.716 56.287 -0.062 0.000 0.941 154 K CB 0.049 32.546 32.500 -0.006 0.000 0.719 154 K HN -0.045 nan 8.250 nan 0.000 0.440 155 L N 0.258 121.494 121.223 0.021 0.000 2.253 155 L HA 0.096 4.436 4.340 -0.000 0.000 0.205 155 L C 0.026 176.996 176.870 0.167 0.000 1.078 155 L CA 0.634 55.547 54.840 0.121 0.000 0.805 155 L CB 0.350 42.487 42.059 0.131 0.000 0.963 155 L HN 0.108 nan 8.230 nan 0.000 0.459 156 C N -0.432 118.866 119.300 -0.003 0.000 2.303 156 C HA 0.116 4.576 4.460 -0.000 0.000 0.341 156 C C 0.769 175.758 174.990 -0.002 0.000 1.244 156 C CA -0.829 58.160 59.018 -0.049 0.000 1.765 156 C CB -1.055 26.529 27.740 -0.261 0.000 2.379 156 C HN 0.545 nan 8.230 nan 0.000 0.530 157 W N 1.983 123.223 121.300 -0.099 0.000 3.256 157 W HA 0.143 4.803 4.660 -0.000 0.000 0.269 157 W C 1.352 177.837 176.519 -0.058 0.000 1.310 157 W CA 0.096 57.403 57.345 -0.064 0.000 1.673 157 W CB -0.107 29.328 29.460 -0.041 0.000 1.115 157 W HN 0.692 nan 8.180 nan 0.000 0.686 158 T N -3.885 110.719 114.554 0.083 0.000 2.876 158 T HA 0.288 4.638 4.350 -0.000 0.000 0.289 158 T C 0.770 175.447 174.700 -0.038 0.000 1.014 158 T CA -0.648 61.473 62.100 0.036 0.000 0.986 158 T CB 2.600 71.513 68.868 0.075 0.000 1.021 158 T HN -0.209 nan 8.240 nan 0.000 0.458 159 E N 1.191 121.375 120.200 -0.026 0.000 2.153 159 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 159 E C 2.108 178.686 176.600 -0.036 0.000 0.988 159 E CA 1.218 57.591 56.400 -0.045 0.000 0.811 159 E CB -0.341 29.345 29.700 -0.024 0.000 0.746 159 E HN 0.737 nan 8.360 nan 0.000 0.466 160 S N 0.812 116.522 115.700 0.017 0.000 2.359 160 S HA -0.226 4.244 4.470 -0.000 0.000 0.222 160 S C 2.117 176.728 174.600 0.017 0.000 1.038 160 S CA 1.849 60.102 58.200 0.088 0.000 1.051 160 S CB -0.150 63.161 63.200 0.184 0.000 0.944 160 S HN 0.310 nan 8.310 nan 0.000 0.433 161 A N 1.096 123.810 122.820 -0.177 0.000 1.930 161 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 161 A C 2.199 179.413 177.584 -0.617 0.000 1.175 161 A CA 1.796 53.399 52.037 -0.723 0.000 0.627 161 A CB -0.687 17.878 19.000 -0.726 0.000 0.815 161 A HN 0.660 nan 8.150 nan 0.000 0.443 162 K N -0.636 119.522 120.400 -0.404 0.000 2.025 162 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 162 K C 2.281 178.725 176.600 -0.261 0.000 1.049 162 K CA 1.496 57.559 56.287 -0.374 0.000 0.933 162 K CB -0.217 32.136 32.500 -0.244 0.000 0.714 162 K HN 0.586 nan 8.250 nan 0.000 0.438 163 Q N 0.267 119.981 119.800 -0.144 0.000 2.135 163 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 163 Q C 2.084 178.081 176.000 -0.006 0.000 0.981 163 Q CA 1.315 57.090 55.803 -0.046 0.000 0.856 163 Q CB -0.037 28.710 28.738 0.015 0.000 0.902 163 Q HN 0.227 nan 8.270 nan 0.000 0.425 164 L N -0.152 121.054 121.223 -0.027 0.000 2.217 164 L HA 0.003 4.343 4.340 -0.000 0.000 0.211 164 L C 1.927 178.832 176.870 0.058 0.000 1.107 164 L CA 1.631 56.516 54.840 0.074 0.000 0.783 164 L CB -0.432 41.705 42.059 0.130 0.000 0.919 164 L HN 0.070 nan 8.230 nan 0.000 0.442 165 A N -1.872 120.815 122.820 -0.222 0.000 1.970 165 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 165 A C 2.182 179.748 177.584 -0.029 0.000 1.170 165 A CA 1.637 53.501 52.037 -0.287 0.000 0.645 165 A CB -0.852 17.456 19.000 -1.153 0.000 0.816 165 A HN 0.434 nan 8.150 nan 0.000 0.447 166 T N 0.373 114.874 114.554 -0.089 0.000 2.708 166 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 166 T C 1.882 176.597 174.700 0.025 0.000 1.037 166 T CA 1.426 63.494 62.100 -0.053 0.000 1.146 166 T CB -0.423 68.411 68.868 -0.058 0.000 0.865 166 T HN 0.393 nan 8.240 nan 0.000 0.435 167 L N 0.279 121.560 121.223 0.097 0.000 1.989 167 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 167 L C 2.253 179.245 176.870 0.203 0.000 1.071 167 L CA 1.662 56.593 54.840 0.151 0.000 0.749 167 L CB -0.471 41.710 42.059 0.203 0.000 0.890 167 L HN 0.198 nan 8.230 nan 0.000 0.431 168 F N -0.226 119.808 119.950 0.140 0.000 2.087 168 F HA -0.292 4.235 4.527 0.000 0.000 0.299 168 F C 2.072 177.991 175.800 0.199 0.000 1.100 168 F CA 2.205 60.335 58.000 0.217 0.000 1.226 168 F CB -0.756 38.508 39.000 0.441 0.000 0.983 168 F HN -0.080 nan 8.300 nan 0.000 0.479 169 V N 0.842 120.722 119.914 -0.057 0.000 2.244 169 V HA -0.330 3.790 4.120 -0.000 0.000 0.244 169 V C 2.132 178.118 176.094 -0.181 0.000 1.042 169 V CA 2.331 64.444 62.300 -0.312 0.000 1.006 169 V CB -0.992 30.529 31.823 -0.505 0.000 0.641 169 V HN 0.397 nan 8.190 nan 0.000 0.446 170 N N 0.057 118.680 118.700 -0.128 0.000 2.069 170 N HA -0.283 4.457 4.740 -0.000 0.000 0.196 170 N C 1.744 177.204 175.510 -0.083 0.000 1.024 170 N CA 1.665 54.653 53.050 -0.103 0.000 0.869 170 N CB -0.271 38.190 38.487 -0.044 0.000 1.035 170 N HN 0.295 nan 8.380 nan 0.000 0.434 171 L N 0.774 121.978 121.223 -0.031 0.000 2.093 171 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 171 L C 2.186 179.062 176.870 0.010 0.000 1.085 171 L CA 1.476 56.308 54.840 -0.013 0.000 0.755 171 L CB -0.538 41.513 42.059 -0.014 0.000 0.904 171 L HN 0.242 nan 8.230 nan 0.000 0.435 172 C N -1.749 117.535 119.300 -0.028 0.000 2.475 172 C HA 0.039 4.499 4.460 -0.000 0.000 0.279 172 C C 2.309 177.377 174.990 0.130 0.000 1.322 172 C CA 0.796 59.864 59.018 0.083 0.000 1.734 172 C CB -0.325 27.394 27.740 -0.035 0.000 2.005 172 C HN 0.545 nan 8.230 nan 0.000 0.495 173 V N -1.390 118.509 119.914 -0.025 0.000 3.346 173 V HA 0.277 4.397 4.120 -0.000 0.000 0.309 173 V C 0.900 176.846 176.094 -0.247 0.000 1.457 173 V CA 0.946 63.200 62.300 -0.077 0.000 1.069 173 V CB -1.266 30.653 31.823 0.160 0.000 0.944 173 V HN 0.556 nan 8.190 nan 0.000 0.449 174 T N -1.574 112.761 114.554 -0.366 0.000 3.799 174 T HA -0.150 4.200 4.350 -0.000 0.000 0.358 174 T C 0.161 174.694 174.700 -0.279 0.000 0.759 174 T CA 1.350 63.222 62.100 -0.381 0.000 1.869 174 T CB -2.622 65.890 68.868 -0.593 0.000 1.837 174 T HN 2.361 nan 8.240 nan 0.000 0.762 175 A N -0.340 122.297 122.820 -0.305 0.000 2.527 175 A HA 0.749 5.069 4.320 -0.000 0.000 0.293 175 A C -0.135 177.235 177.584 -0.356 0.000 1.117 175 A CA -1.003 50.785 52.037 -0.415 0.000 0.723 175 A CB 1.167 19.673 19.000 -0.824 0.000 1.313 175 A HN 0.363 nan 8.150 nan 0.000 0.411 176 E N 0.587 120.545 120.200 -0.403 0.000 2.404 176 E HA 0.141 4.492 4.350 -0.000 0.000 0.261 176 E C 1.392 177.681 176.600 -0.518 0.000 1.074 176 E CA 0.721 56.813 56.400 -0.513 0.000 0.917 176 E CB 0.527 29.610 29.700 -1.030 0.000 0.965 176 E HN 0.789 nan 8.360 nan 0.000 0.433 177 T N -1.065 113.242 114.554 -0.412 0.000 2.803 177 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 177 T C 1.357 175.933 174.700 -0.206 0.000 1.052 177 T CA 1.777 63.703 62.100 -0.290 0.000 1.136 177 T CB -0.404 68.343 68.868 -0.202 0.000 0.864 177 T HN 0.636 nan 8.240 nan 0.000 0.467 178 H N 0.443 119.466 119.070 -0.078 0.000 2.547 178 H HA 0.298 4.854 4.556 -0.000 0.000 0.266 178 H C 1.267 176.574 175.328 -0.034 0.000 0.988 178 H CA 0.572 56.593 56.048 -0.045 0.000 1.147 178 H CB -0.156 29.580 29.762 -0.043 0.000 1.365 178 H HN 0.492 nan 8.280 nan 0.000 0.589 179 E N 1.321 121.409 120.200 -0.187 0.000 2.447 179 E HA 0.072 4.422 4.350 -0.000 0.000 0.195 179 E C 0.573 177.177 176.600 0.008 0.000 1.028 179 E CA 0.190 56.550 56.400 -0.067 0.000 0.876 179 E CB 0.987 30.540 29.700 -0.244 0.000 0.885 179 E HN 0.365 nan 8.360 nan 0.000 0.500 180 V N -2.173 117.743 119.914 0.003 0.000 2.864 180 V HA 0.465 4.585 4.120 -0.000 0.000 0.314 180 V C -0.035 176.210 176.094 0.251 0.000 1.073 180 V CA -1.264 61.139 62.300 0.172 0.000 0.956 180 V CB 1.915 33.879 31.823 0.235 0.000 1.023 180 V HN -0.107 nan 8.190 nan 0.000 0.435 181 S N 1.890 117.818 115.700 0.379 0.000 2.549 181 S HA 0.473 4.943 4.470 -0.000 0.000 0.283 181 S C 1.431 176.270 174.600 0.397 0.000 1.320 181 S CA 0.186 58.612 58.200 0.376 0.000 1.058 181 S CB 0.931 64.388 63.200 0.429 0.000 0.882 181 S HN 1.656 nan 8.310 nan 0.000 0.498 182 A N 5.105 128.089 122.820 0.275 0.000 1.877 182 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 182 A C 2.014 179.757 177.584 0.265 0.000 1.186 182 A CA 1.669 53.834 52.037 0.213 0.000 0.620 182 A CB -0.921 18.140 19.000 0.103 0.000 0.822 182 A HN 0.903 nan 8.150 nan 0.000 0.443 183 L N -1.497 119.928 121.223 0.336 0.000 2.012 183 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 183 L C 2.265 179.358 176.870 0.371 0.000 1.073 183 L CA 2.614 57.682 54.840 0.381 0.000 0.748 183 L CB -0.655 41.647 42.059 0.404 0.000 0.891 183 L HN 0.668 nan 8.230 nan 0.000 0.431 184 W N -0.491 120.975 121.300 0.276 0.000 2.355 184 W HA -0.297 4.363 4.660 0.000 0.000 0.309 184 W C 2.358 179.142 176.519 0.442 0.000 1.206 184 W CA 2.008 59.536 57.345 0.304 0.000 1.284 184 W CB -0.720 28.902 29.460 0.270 0.000 1.145 184 W HN 0.291 nan 8.180 nan 0.000 0.502 185 F N 0.683 120.638 119.950 0.009 0.000 2.171 185 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 185 F C 2.081 177.778 175.800 -0.173 0.000 1.090 185 F CA 2.095 59.920 58.000 -0.292 0.000 1.293 185 F CB -0.594 38.387 39.000 -0.032 0.000 1.013 185 F HN -0.169 nan 8.300 nan 0.000 0.486 186 L N -1.289 119.944 121.223 0.017 0.000 2.083 186 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 186 L C 2.256 179.032 176.870 -0.156 0.000 1.083 186 L CA 1.577 56.367 54.840 -0.083 0.000 0.752 186 L CB -0.953 41.081 42.059 -0.042 0.000 0.899 186 L HN 0.442 nan 8.230 nan 0.000 0.433 187 W N -0.043 121.113 121.300 -0.241 0.000 2.355 187 W HA -0.300 4.360 4.660 0.000 0.000 0.309 187 W C 2.628 178.927 176.519 -0.366 0.000 1.206 187 W CA 1.474 58.667 57.345 -0.253 0.000 1.284 187 W CB -0.644 28.700 29.460 -0.193 0.000 1.145 187 W HN 0.107 nan 8.180 nan 0.000 0.502 188 Y N 0.670 120.486 120.300 -0.807 0.000 2.114 188 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 188 Y C 2.381 177.723 175.900 -0.930 0.000 1.165 188 Y CA 3.010 60.461 58.100 -1.082 0.000 1.148 188 Y CB -0.882 36.906 38.460 -1.121 0.000 0.972 188 Y HN -0.131 nan 8.280 nan 0.000 0.504 189 V N 0.798 120.254 119.914 -0.762 0.000 2.307 189 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 189 V C 2.516 178.255 176.094 -0.591 0.000 1.045 189 V CA 2.143 64.083 62.300 -0.600 0.000 1.024 189 V CB -0.664 30.918 31.823 -0.401 0.000 0.651 189 V HN 0.306 nan 8.190 nan 0.000 0.449 190 K N 1.086 121.162 120.400 -0.540 0.000 2.074 190 K HA -0.269 4.051 4.320 -0.000 0.000 0.209 190 K C 2.082 178.319 176.600 -0.606 0.000 1.048 190 K CA 2.398 58.403 56.287 -0.470 0.000 0.926 190 K CB -0.200 32.094 32.500 -0.344 0.000 0.713 190 K HN 0.726 nan 8.250 nan 0.000 0.444 191 Q N -1.033 118.242 119.800 -0.874 0.000 2.482 191 Q HA 0.017 4.357 4.340 -0.000 0.000 0.209 191 Q C 1.272 176.759 176.000 -0.855 0.000 0.961 191 Q CA 0.774 56.071 55.803 -0.845 0.000 0.945 191 Q CB -0.341 27.692 28.738 -1.174 0.000 1.012 191 Q HN 0.132 nan 8.270 nan 0.000 0.515 192 C N -0.033 118.622 119.300 -1.076 0.000 2.974 192 C HA 0.651 5.111 4.460 -0.000 0.000 0.282 192 C C 1.492 175.742 174.990 -1.235 0.000 1.292 192 C CA 0.080 58.079 59.018 -1.699 0.000 1.710 192 C CB -0.594 26.169 27.740 -1.628 0.000 2.036 192 C HN 0.822 nan 8.230 nan 0.000 0.629 193 G N 0.360 108.752 108.800 -0.679 0.000 2.175 193 G HA2 0.263 4.223 3.960 -0.000 0.000 0.244 193 G HA3 0.263 4.223 3.960 -0.000 0.000 0.244 193 G C 0.487 175.209 174.900 -0.297 0.000 0.982 193 G CA 0.083 44.947 45.100 -0.393 0.000 0.641 193 G HN 1.683 nan 8.290 nan 0.000 0.527 194 G N -2.090 106.513 108.800 -0.328 0.000 2.661 194 G HA2 0.316 4.276 3.960 -0.000 0.000 0.685 194 G HA3 0.316 4.276 3.960 -0.000 0.000 0.685 194 G C 1.049 175.867 174.900 -0.137 0.000 1.298 194 G CA 0.972 45.947 45.100 -0.208 0.000 0.855 194 G HN 1.889 nan 8.290 nan 0.000 0.560 195 T N -2.777 111.739 114.554 -0.063 0.000 2.708 195 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 195 T C 2.387 177.032 174.700 -0.092 0.000 1.037 195 T CA 3.070 65.156 62.100 -0.024 0.000 1.146 195 T CB -0.977 67.891 68.868 -0.000 0.000 0.865 195 T HN 1.108 nan 8.240 nan 0.000 0.435 196 T N 1.709 116.234 114.554 -0.049 0.000 2.580 196 T HA -0.130 4.220 4.350 -0.000 0.000 0.265 196 T C 2.067 176.725 174.700 -0.070 0.000 1.063 196 T CA 1.758 63.840 62.100 -0.030 0.000 1.170 196 T CB -0.453 68.430 68.868 0.027 0.000 0.863 196 T HN 0.337 nan 8.240 nan 0.000 0.418 197 R N 1.003 121.472 120.500 -0.052 0.000 2.113 197 R HA -0.036 4.304 4.340 -0.000 0.000 0.244 197 R C 2.245 178.564 176.300 0.032 0.000 1.142 197 R CA 1.543 57.635 56.100 -0.014 0.000 0.953 197 R CB -1.067 29.205 30.300 -0.047 0.000 0.860 197 R HN 0.542 nan 8.270 nan 0.000 0.438 198 I N -0.005 120.549 120.570 -0.026 0.000 2.202 198 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 198 I C 1.896 178.059 176.117 0.076 0.000 1.091 198 I CA 1.642 62.974 61.300 0.053 0.000 1.368 198 I CB -0.145 37.856 38.000 0.002 0.000 1.058 198 I HN 0.340 nan 8.210 nan 0.000 0.410 199 I N -0.723 119.835 120.570 -0.021 0.000 2.315 199 I HA -0.070 4.100 4.170 -0.000 0.000 0.248 199 I C 1.295 177.328 176.117 -0.140 0.000 1.117 199 I CA 0.436 61.669 61.300 -0.112 0.000 1.404 199 I CB -1.156 36.619 38.000 -0.375 0.000 1.071 199 I HN -0.030 nan 8.210 nan 0.000 0.419 200 S N 1.602 117.214 115.700 -0.147 0.000 2.558 200 S HA 0.015 4.485 4.470 -0.000 0.000 0.293 200 S C 1.158 175.716 174.600 -0.070 0.000 1.292 200 S CA 0.395 58.529 58.200 -0.110 0.000 1.063 200 S CB 0.568 63.722 63.200 -0.077 0.000 0.831 200 S HN 0.489 nan 8.310 nan 0.000 0.499 201 T N 2.234 116.751 114.554 -0.063 0.000 2.739 201 T HA -0.003 4.347 4.350 -0.000 0.000 0.249 201 T C 0.847 175.509 174.700 -0.063 0.000 1.050 201 T CA 0.742 62.798 62.100 -0.072 0.000 1.165 201 T CB -0.308 68.519 68.868 -0.068 0.000 0.872 201 T HN 0.627 nan 8.240 nan 0.000 0.411 202 T N 3.432 117.960 114.554 -0.045 0.000 2.817 202 T HA 0.198 4.548 4.350 -0.000 0.000 0.295 202 T C 0.707 175.389 174.700 -0.030 0.000 0.958 202 T CA 0.200 62.281 62.100 -0.032 0.000 1.157 202 T CB 0.065 68.924 68.868 -0.015 0.000 0.898 202 T HN 0.496 nan 8.240 nan 0.000 0.536 203 N N 0.879 119.560 118.700 -0.031 0.000 2.878 203 N HA -0.143 4.597 4.740 -0.000 0.000 0.247 203 N C 0.102 175.600 175.510 -0.019 0.000 1.021 203 N CA 1.474 54.510 53.050 -0.022 0.000 0.873 203 N CB -1.078 37.404 38.487 -0.008 0.000 1.128 203 N HN 0.931 nan 8.380 nan 0.000 0.571 204 G N -3.230 105.550 108.800 -0.034 0.000 2.866 204 G HA2 0.561 4.521 3.960 -0.000 0.000 0.289 204 G HA3 0.561 4.521 3.960 -0.000 0.000 0.289 204 G C 0.975 175.839 174.900 -0.060 0.000 1.396 204 G CA -0.050 45.044 45.100 -0.011 0.000 0.848 204 G HN 0.356 nan 8.290 nan 0.000 0.515 205 G N -0.874 107.900 108.800 -0.043 0.000 2.516 205 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.221 205 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.221 205 G C 1.275 176.110 174.900 -0.109 0.000 1.107 205 G CA 1.084 46.063 45.100 -0.202 0.000 0.747 205 G HN 0.427 nan 8.290 nan 0.000 0.567 206 Q N -0.443 119.298 119.800 -0.098 0.000 2.360 206 Q HA 0.235 4.575 4.340 -0.000 0.000 0.202 206 Q C 1.968 177.873 176.000 -0.157 0.000 0.915 206 Q CA 0.024 55.709 55.803 -0.196 0.000 0.943 206 Q CB 0.307 28.882 28.738 -0.271 0.000 1.064 206 Q HN 0.644 nan 8.270 nan 0.000 0.511 207 E N 0.304 120.434 120.200 -0.116 0.000 2.085 207 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 207 E C 0.015 176.545 176.600 -0.116 0.000 0.994 207 E CA 0.918 57.255 56.400 -0.105 0.000 0.801 207 E CB 0.373 30.010 29.700 -0.104 0.000 0.743 207 E HN 0.155 nan 8.360 nan 0.000 0.453 208 R N -1.151 119.262 120.500 -0.145 0.000 2.855 208 R HA 0.481 4.821 4.340 -0.000 0.000 0.266 208 R C -1.022 175.079 176.300 -0.332 0.000 1.034 208 R CA -0.744 55.189 56.100 -0.277 0.000 0.944 208 R CB 1.858 31.971 30.300 -0.312 0.000 1.219 208 R HN -0.191 nan 8.270 nan 0.000 0.474 209 K N 0.200 120.231 120.400 -0.616 0.000 2.433 209 K HA 0.454 4.774 4.320 -0.000 0.000 0.252 209 K C -1.243 175.010 176.600 -0.577 0.000 1.015 209 K CA -0.672 55.257 56.287 -0.597 0.000 0.860 209 K CB 1.443 33.665 32.500 -0.463 0.000 1.359 209 K HN 0.241 nan 8.250 nan 0.000 0.452 210 F N 1.191 121.079 119.950 -0.103 0.000 2.420 210 F HA 0.166 4.693 4.527 -0.000 0.000 0.352 210 F C 0.360 176.216 175.800 0.094 0.000 1.108 210 F CA -0.941 57.047 58.000 -0.020 0.000 1.162 210 F CB 0.955 39.920 39.000 -0.058 0.000 1.118 210 F HN -0.003 nan 8.300 nan 0.000 0.510 211 V N 4.168 124.293 119.914 0.351 0.000 2.509 211 V HA 0.159 4.279 4.120 -0.000 0.000 0.297 211 V C 0.991 177.038 176.094 -0.078 0.000 1.014 211 V CA 1.500 63.934 62.300 0.225 0.000 1.127 211 V CB -0.025 31.900 31.823 0.170 0.000 0.925 211 V HN 1.131 nan 8.190 nan 0.000 0.480 212 G N 3.304 111.781 108.800 -0.539 0.000 2.258 212 G HA2 0.131 4.091 3.960 -0.000 0.000 0.233 212 G HA3 0.131 4.091 3.960 -0.000 0.000 0.233 212 G C 0.741 175.029 174.900 -1.019 0.000 1.006 212 G CA -0.145 44.292 45.100 -1.106 0.000 0.620 212 G HN 2.405 nan 8.290 nan 0.000 0.511 213 G N -1.426 107.129 108.800 -0.408 0.000 2.627 213 G HA2 0.461 4.421 3.960 -0.000 0.000 0.680 213 G HA3 0.461 4.421 3.960 -0.000 0.000 0.680 213 G C 0.714 175.616 174.900 0.004 0.000 1.341 213 G CA 0.887 45.922 45.100 -0.108 0.000 0.835 213 G HN 1.802 nan 8.290 nan 0.000 0.643 214 S N 0.137 115.902 115.700 0.110 0.000 2.447 214 S HA 0.064 4.535 4.470 -0.000 0.000 0.233 214 S C 2.454 177.051 174.600 -0.005 0.000 1.006 214 S CA 1.950 60.231 58.200 0.134 0.000 0.957 214 S CB -0.058 63.257 63.200 0.193 0.000 0.773 214 S HN 2.067 nan 8.310 nan 0.000 0.507 215 G N 1.090 109.895 108.800 0.007 0.000 2.509 215 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.218 215 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.218 215 G C 1.411 176.289 174.900 -0.036 0.000 1.124 215 G CA 0.334 45.445 45.100 0.018 0.000 0.776 215 G HN 0.630 nan 8.290 nan 0.000 0.547 216 Q N -0.153 119.591 119.800 -0.094 0.000 2.364 216 Q HA -0.024 4.316 4.340 -0.000 0.000 0.209 216 Q C 2.596 178.505 176.000 -0.151 0.000 0.977 216 Q CA 0.604 56.332 55.803 -0.126 0.000 0.885 216 Q CB -0.057 28.581 28.738 -0.166 0.000 0.941 216 Q HN 0.431 nan 8.270 nan 0.000 0.464 217 V N 0.026 119.831 119.914 -0.182 0.000 2.270 217 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 217 V C 2.045 178.078 176.094 -0.101 0.000 1.043 217 V CA 2.044 64.232 62.300 -0.187 0.000 1.014 217 V CB -0.373 31.318 31.823 -0.219 0.000 0.645 217 V HN 0.287 nan 8.190 nan 0.000 0.447 218 S N -0.680 114.985 115.700 -0.059 0.000 2.406 218 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 218 S C 1.882 176.462 174.600 -0.033 0.000 1.020 218 S CA 1.167 59.349 58.200 -0.031 0.000 0.965 218 S CB -0.179 63.023 63.200 0.005 0.000 0.798 218 S HN 0.663 nan 8.310 nan 0.000 0.488 219 E N 1.182 121.361 120.200 -0.034 0.000 2.047 219 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 219 E C 2.367 178.940 176.600 -0.046 0.000 0.987 219 E CA 0.757 57.139 56.400 -0.030 0.000 0.799 219 E CB -0.037 29.646 29.700 -0.028 0.000 0.752 219 E HN 0.349 nan 8.360 nan 0.000 0.449 220 R N 0.282 120.744 120.500 -0.064 0.000 2.092 220 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 220 R C 2.366 178.626 176.300 -0.066 0.000 1.119 220 R CA 0.913 56.973 56.100 -0.067 0.000 0.970 220 R CB -0.282 29.968 30.300 -0.083 0.000 0.864 220 R HN 0.217 nan 8.270 nan 0.000 0.440 221 I N 0.827 121.356 120.570 -0.068 0.000 2.179 221 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 221 I C 2.733 178.802 176.117 -0.080 0.000 1.088 221 I CA 1.246 62.503 61.300 -0.072 0.000 1.357 221 I CB -0.196 37.766 38.000 -0.064 0.000 1.051 221 I HN 0.175 nan 8.210 nan 0.000 0.409 222 M N 0.721 120.283 119.600 -0.063 0.000 2.106 222 M HA -0.279 4.201 4.480 -0.000 0.000 0.259 222 M C 1.677 177.940 176.300 -0.061 0.000 1.068 222 M CA 2.001 57.265 55.300 -0.059 0.000 1.100 222 M CB -0.234 32.343 32.600 -0.039 0.000 1.351 222 M HN 0.177 nan 8.290 nan 0.000 0.404 223 D N 0.616 120.983 120.400 -0.054 0.000 2.092 223 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 223 D C 2.027 178.291 176.300 -0.060 0.000 0.994 223 D CA 1.496 55.467 54.000 -0.048 0.000 0.828 223 D CB -0.638 40.138 40.800 -0.041 0.000 0.963 223 D HN 0.414 nan 8.370 nan 0.000 0.450 224 L N 0.278 121.456 121.223 -0.074 0.000 2.129 224 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 224 L C 2.377 179.145 176.870 -0.170 0.000 1.087 224 L CA 0.720 55.504 54.840 -0.094 0.000 0.757 224 L CB -0.250 41.752 42.059 -0.094 0.000 0.896 224 L HN 0.069 nan 8.230 nan 0.000 0.434 225 L N -1.239 119.866 121.223 -0.196 0.000 2.509 225 L HA 0.109 4.449 4.340 -0.000 0.000 0.222 225 L C 1.616 178.402 176.870 -0.140 0.000 1.123 225 L CA 0.359 55.038 54.840 -0.269 0.000 0.856 225 L CB -0.586 41.341 42.059 -0.220 0.000 0.985 225 L HN 0.464 nan 8.230 nan 0.000 0.456 226 G N 1.930 110.681 108.800 -0.081 0.000 2.611 226 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.301 226 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.301 226 G C 0.340 175.224 174.900 -0.027 0.000 1.233 226 G CA 0.442 45.519 45.100 -0.038 0.000 0.993 226 G HN 0.519 nan 8.290 nan 0.000 0.553 227 D N 0.611 121.007 120.400 -0.006 0.000 2.370 227 D HA 0.156 4.796 4.640 -0.000 0.000 0.230 227 D C 1.864 178.173 176.300 0.014 0.000 1.143 227 D CA 0.142 54.145 54.000 0.005 0.000 0.834 227 D CB -0.141 40.668 40.800 0.015 0.000 0.944 227 D HN 0.605 nan 8.370 nan 0.000 0.504 228 R N -0.243 120.257 120.500 0.001 0.000 2.153 228 R HA 0.101 4.441 4.340 -0.000 0.000 0.218 228 R C 0.427 176.717 176.300 -0.018 0.000 1.072 228 R CA 0.317 56.420 56.100 0.006 0.000 0.990 228 R CB 0.291 30.589 30.300 -0.004 0.000 0.889 228 R HN 0.065 nan 8.270 nan 0.000 0.452 229 V N 3.308 123.202 119.914 -0.033 0.000 2.427 229 V HA 0.080 4.200 4.120 -0.000 0.000 0.268 229 V C -0.074 176.000 176.094 -0.034 0.000 1.046 229 V CA -0.111 62.163 62.300 -0.044 0.000 0.970 229 V CB 1.070 32.865 31.823 -0.046 0.000 1.001 229 V HN 0.066 nan 8.190 nan 0.000 0.476 230 K N 6.630 126.999 120.400 -0.052 0.000 2.389 230 K HA 0.540 4.860 4.320 -0.000 0.000 0.261 230 K C -0.682 175.886 176.600 -0.054 0.000 1.014 230 K CA -0.355 55.911 56.287 -0.036 0.000 0.920 230 K CB 1.863 34.344 32.500 -0.032 0.000 1.149 230 K HN 0.492 nan 8.250 nan 0.000 0.444 231 L N 1.589 122.789 121.223 -0.038 0.000 2.399 231 L HA 0.193 4.533 4.340 -0.000 0.000 0.266 231 L C 0.732 177.571 176.870 -0.052 0.000 1.114 231 L CA -0.247 54.562 54.840 -0.051 0.000 0.804 231 L CB 0.183 42.220 42.059 -0.036 0.000 1.146 231 L HN 0.684 nan 8.230 nan 0.000 0.451 232 E N 0.146 120.298 120.200 -0.080 0.000 2.513 232 E HA -0.228 4.122 4.350 -0.000 0.000 0.257 232 E C -0.399 176.157 176.600 -0.074 0.000 1.098 232 E CA 0.281 56.631 56.400 -0.083 0.000 0.752 232 E CB -0.912 28.760 29.700 -0.046 0.000 1.324 232 E HN 0.387 nan 8.360 nan 0.000 0.403 233 R N 0.470 120.912 120.500 -0.097 0.000 2.860 233 R HA 0.233 4.573 4.340 -0.000 0.000 0.282 233 R C -2.658 173.572 176.300 -0.117 0.000 1.408 233 R CA -2.065 53.987 56.100 -0.080 0.000 1.636 233 R CB 0.532 30.791 30.300 -0.067 0.000 1.187 233 R HN -0.011 nan 8.270 nan 0.000 0.611 234 P HA 0.018 nan 4.420 nan 0.000 0.271 234 P C -0.222 177.060 177.300 -0.030 0.000 1.233 234 P CA -0.153 62.873 63.100 -0.122 0.000 0.764 234 P CB 0.874 32.529 31.700 -0.076 0.000 0.825 235 V N 5.563 125.466 119.914 -0.020 0.000 2.585 235 V HA -0.018 4.102 4.120 -0.000 0.000 0.296 235 V C 1.787 177.904 176.094 0.039 0.000 1.035 235 V CA 0.667 62.969 62.300 0.004 0.000 1.084 235 V CB 0.051 31.863 31.823 -0.017 0.000 0.953 235 V HN 0.540 nan 8.190 nan 0.000 0.483 236 I N 1.450 122.052 120.570 0.055 0.000 4.456 236 I HA 0.454 4.624 4.170 -0.000 0.000 0.329 236 I C -0.031 176.181 176.117 0.159 0.000 1.313 236 I CA 0.063 61.423 61.300 0.099 0.000 1.205 236 I CB 0.576 38.617 38.000 0.068 0.000 1.179 236 I HN 0.475 nan 8.210 nan 0.000 0.419 237 Y N 1.848 122.099 120.300 -0.083 0.000 2.479 237 Y HA 0.724 5.274 4.550 -0.000 0.000 0.338 237 Y C -1.717 174.095 175.900 -0.146 0.000 1.055 237 Y CA -1.646 56.386 58.100 -0.112 0.000 1.023 237 Y CB 1.896 40.324 38.460 -0.053 0.000 1.287 237 Y HN -0.032 nan 8.280 nan 0.000 0.447 238 I N 5.731 125.832 120.570 -0.782 0.000 2.468 238 I HA 0.253 4.423 4.170 -0.000 0.000 0.285 238 I C -1.354 174.363 176.117 -0.667 0.000 1.039 238 I CA -0.677 60.276 61.300 -0.578 0.000 1.074 238 I CB 1.724 39.537 38.000 -0.312 0.000 1.228 238 I HN 0.518 nan 8.210 nan 0.000 0.436 239 D N 6.275 126.369 120.400 -0.510 0.000 2.349 239 D HA 0.260 4.900 4.640 -0.000 0.000 0.232 239 D C -0.202 176.046 176.300 -0.087 0.000 1.071 239 D CA -0.081 53.743 54.000 -0.292 0.000 0.832 239 D CB 1.685 42.402 40.800 -0.139 0.000 1.086 239 D HN 0.538 nan 8.370 nan 0.000 0.504 240 Q N 1.758 121.537 119.800 -0.034 0.000 2.157 240 Q HA 0.073 4.413 4.340 -0.000 0.000 0.229 240 Q C 1.146 177.150 176.000 0.006 0.000 0.827 240 Q CA -0.013 55.788 55.803 -0.004 0.000 1.055 240 Q CB 0.905 29.653 28.738 0.017 0.000 1.157 240 Q HN 0.548 nan 8.270 nan 0.000 0.482 241 T N -2.599 111.963 114.554 0.013 0.000 3.043 241 T HA 0.115 4.465 4.350 -0.000 0.000 0.263 241 T C 1.033 175.743 174.700 0.017 0.000 1.094 241 T CA 0.215 62.329 62.100 0.022 0.000 1.127 241 T CB 0.291 69.182 68.868 0.038 0.000 0.905 241 T HN 0.084 nan 8.240 nan 0.000 0.490 242 R N 0.464 120.971 120.500 0.012 0.000 2.740 242 R HA 0.476 4.816 4.340 -0.000 0.000 0.223 242 R C 1.561 177.857 176.300 -0.006 0.000 1.362 242 R CA -0.811 55.294 56.100 0.007 0.000 1.069 242 R CB 0.527 30.835 30.300 0.013 0.000 1.739 242 R HN 0.056 nan 8.270 nan 0.000 0.533 243 E N 0.747 120.941 120.200 -0.010 0.000 2.072 243 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 243 E C -0.252 176.322 176.600 -0.042 0.000 0.985 243 E CA 1.079 57.466 56.400 -0.022 0.000 0.801 243 E CB 0.194 29.884 29.700 -0.017 0.000 0.750 243 E HN 0.286 nan 8.360 nan 0.000 0.452 244 N N 0.080 118.759 118.700 -0.035 0.000 2.430 244 N HA 0.186 4.926 4.740 -0.000 0.000 0.298 244 N C -0.950 174.540 175.510 -0.034 0.000 1.130 244 N CA -0.437 52.584 53.050 -0.048 0.000 0.894 244 N CB 2.102 40.571 38.487 -0.030 0.000 1.209 244 N HN -0.172 nan 8.380 nan 0.000 0.503 245 V N 1.987 121.875 119.914 -0.043 0.000 2.572 245 V HA 0.170 4.290 4.120 -0.000 0.000 0.291 245 V C 0.407 176.506 176.094 0.007 0.000 1.039 245 V CA -0.207 62.081 62.300 -0.020 0.000 1.055 245 V CB 0.127 31.941 31.823 -0.015 0.000 0.969 245 V HN 0.371 nan 8.190 nan 0.000 0.482 246 L N 5.636 126.863 121.223 0.007 0.000 2.305 246 L HA 0.564 4.904 4.340 -0.000 0.000 0.284 246 L C -0.540 176.346 176.870 0.028 0.000 1.013 246 L CA -0.373 54.491 54.840 0.041 0.000 0.819 246 L CB 1.895 43.994 42.059 0.067 0.000 1.227 246 L HN 0.399 nan 8.230 nan 0.000 0.417 247 V N 3.017 122.987 119.914 0.094 0.000 2.409 247 V HA 0.374 4.494 4.120 -0.000 0.000 0.291 247 V C -0.245 175.967 176.094 0.196 0.000 1.020 247 V CA -0.648 61.710 62.300 0.097 0.000 0.848 247 V CB 1.707 33.579 31.823 0.082 0.000 0.990 247 V HN 0.708 nan 8.190 nan 0.000 0.430 248 E N 2.969 123.289 120.200 0.199 0.000 2.183 248 E HA 0.617 4.967 4.350 -0.000 0.000 0.271 248 E C -0.183 176.500 176.600 0.139 0.000 0.919 248 E CA -0.467 56.056 56.400 0.204 0.000 0.781 248 E CB 1.808 31.642 29.700 0.223 0.000 1.140 248 E HN 0.848 nan 8.360 nan 0.000 0.402 249 T N 0.993 115.622 114.554 0.126 0.000 2.923 249 T HA 0.196 4.546 4.350 -0.000 0.000 0.281 249 T C 0.926 175.606 174.700 -0.033 0.000 0.995 249 T CA -0.795 61.337 62.100 0.054 0.000 0.985 249 T CB 1.025 69.941 68.868 0.079 0.000 1.114 249 T HN 0.449 nan 8.240 nan 0.000 0.548 250 L N 1.470 122.652 121.223 -0.068 0.000 2.141 250 L HA 0.072 4.412 4.340 -0.000 0.000 0.209 250 L C 2.242 178.916 176.870 -0.327 0.000 1.094 250 L CA 2.033 56.781 54.840 -0.153 0.000 0.763 250 L CB -1.085 40.932 42.059 -0.071 0.000 0.908 250 L HN 0.903 nan 8.230 nan 0.000 0.437 251 N N -3.208 115.381 118.700 -0.185 0.000 2.550 251 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 251 N C 0.102 175.577 175.510 -0.059 0.000 1.110 251 N CA 0.796 53.767 53.050 -0.131 0.000 0.912 251 N CB -0.137 38.351 38.487 0.002 0.000 0.968 251 N HN 0.463 nan 8.380 nan 0.000 0.448 252 H N -1.861 117.227 119.070 0.029 0.000 3.615 252 H HA -0.091 4.465 4.556 -0.000 0.000 0.163 252 H C -0.773 174.564 175.328 0.014 0.000 0.853 252 H CA 0.364 56.419 56.048 0.011 0.000 1.227 252 H CB -1.573 28.184 29.762 -0.008 0.000 0.912 252 H HN 0.517 nan 8.280 nan 0.000 0.442 253 E N 0.771 121.040 120.200 0.115 0.000 2.408 253 E HA 0.377 4.727 4.350 -0.000 0.000 0.259 253 E C 0.244 176.879 176.600 0.058 0.000 1.110 253 E CA 0.128 56.560 56.400 0.053 0.000 0.929 253 E CB 0.920 30.685 29.700 0.107 0.000 0.971 253 E HN 0.055 nan 8.360 nan 0.000 0.438 254 M N 1.825 121.339 119.600 -0.144 0.000 2.324 254 M HA 0.306 4.786 4.480 -0.000 0.000 0.288 254 M C -2.095 174.043 176.300 -0.270 0.000 1.097 254 M CA -0.252 55.019 55.300 -0.048 0.000 0.928 254 M CB 1.347 33.934 32.600 -0.023 0.000 1.648 254 M HN 0.373 nan 8.290 nan 0.000 0.460 255 Y N 1.361 121.679 120.300 0.029 0.000 2.485 255 Y HA 0.653 5.203 4.550 0.000 0.000 0.345 255 Y C -0.497 175.412 175.900 0.016 0.000 0.998 255 Y CA -0.727 57.385 58.100 0.020 0.000 1.059 255 Y CB 2.038 40.508 38.460 0.016 0.000 1.234 255 Y HN 0.529 nan 8.280 nan 0.000 0.461 256 E N 1.415 121.698 120.200 0.138 0.000 2.234 256 E HA 0.805 5.155 4.350 -0.000 0.000 0.266 256 E C -1.215 175.428 176.600 0.073 0.000 0.877 256 E CA -0.834 55.612 56.400 0.078 0.000 0.758 256 E CB 2.078 31.798 29.700 0.034 0.000 1.170 256 E HN 0.708 nan 8.360 nan 0.000 0.415 257 A N 2.365 125.212 122.820 0.044 0.000 2.530 257 A HA 0.444 4.764 4.320 -0.000 0.000 0.288 257 A C -0.105 177.451 177.584 -0.047 0.000 1.172 257 A CA -0.641 51.412 52.037 0.027 0.000 0.733 257 A CB 1.224 20.259 19.000 0.060 0.000 1.320 257 A HN 0.560 nan 8.150 nan 0.000 0.419 258 K N -1.039 119.305 120.400 -0.093 0.000 2.243 258 K HA 0.204 4.524 4.320 -0.000 0.000 0.201 258 K C -0.871 175.339 176.600 -0.649 0.000 1.051 258 K CA 1.287 57.359 56.287 -0.358 0.000 0.970 258 K CB 0.010 32.292 32.500 -0.362 0.000 0.755 258 K HN 0.565 nan 8.250 nan 0.000 0.465 259 Y N -1.369 118.958 120.300 0.045 0.000 2.597 259 Y HA 0.442 4.992 4.550 0.000 0.000 0.340 259 Y C -0.771 175.157 175.900 0.048 0.000 1.097 259 Y CA -1.420 56.724 58.100 0.073 0.000 1.037 259 Y CB 1.797 40.293 38.460 0.062 0.000 1.305 259 Y HN -0.445 nan 8.280 nan 0.000 0.463 260 V N 3.042 123.095 119.914 0.231 0.000 2.823 260 V HA 0.519 4.639 4.120 -0.000 0.000 0.312 260 V C -0.705 175.428 176.094 0.065 0.000 1.072 260 V CA -0.883 61.479 62.300 0.103 0.000 0.937 260 V CB 2.246 34.097 31.823 0.047 0.000 1.013 260 V HN 0.541 nan 8.190 nan 0.000 0.430 261 I N 2.535 123.112 120.570 0.011 0.000 2.362 261 I HA 0.359 4.529 4.170 -0.000 0.000 0.289 261 I C 0.239 176.330 176.117 -0.044 0.000 0.994 261 I CA -0.199 61.080 61.300 -0.035 0.000 1.158 261 I CB 1.942 39.937 38.000 -0.009 0.000 1.315 261 I HN 0.614 nan 8.210 nan 0.000 0.451 262 S N 5.280 120.914 115.700 -0.111 0.000 2.439 262 S HA 0.559 5.029 4.470 -0.000 0.000 0.282 262 S C 0.386 175.065 174.600 0.132 0.000 1.170 262 S CA -0.391 57.837 58.200 0.047 0.000 1.054 262 S CB 0.623 63.918 63.200 0.158 0.000 0.956 262 S HN 0.719 nan 8.310 nan 0.000 0.490 263 A N 5.826 128.716 122.820 0.116 0.000 2.855 263 A HA 0.498 4.818 4.320 -0.000 0.000 0.301 263 A C 0.115 177.776 177.584 0.129 0.000 1.076 263 A CA -0.693 51.417 52.037 0.123 0.000 1.004 263 A CB -0.509 18.537 19.000 0.077 0.000 1.152 263 A HN 0.964 nan 8.150 nan 0.000 0.531 264 I N -3.919 116.745 120.570 0.157 0.000 2.785 264 I HA 0.686 4.856 4.170 -0.000 0.000 0.302 264 I C -2.969 173.235 176.117 0.145 0.000 1.069 264 I CA -3.012 58.375 61.300 0.144 0.000 1.045 264 I CB 1.803 39.891 38.000 0.145 0.000 1.236 264 I HN -0.153 nan 8.210 nan 0.000 0.429 265 P HA 0.026 nan 4.420 nan 0.000 0.261 265 P C -2.141 175.197 177.300 0.062 0.000 1.158 265 P CA -0.360 62.792 63.100 0.087 0.000 0.758 265 P CB -0.061 31.675 31.700 0.060 0.000 0.763 266 P HA -0.230 nan 4.420 nan 0.000 0.216 266 P C 1.602 178.869 177.300 -0.056 0.000 1.157 266 P CA 1.882 64.969 63.100 -0.021 0.000 0.880 266 P CB -0.225 31.426 31.700 -0.081 0.000 0.791 267 T N -1.477 113.018 114.554 -0.098 0.000 2.962 267 T HA -0.053 4.297 4.350 -0.000 0.000 0.270 267 T C 1.518 176.190 174.700 -0.047 0.000 1.088 267 T CA 0.683 62.714 62.100 -0.116 0.000 1.127 267 T CB -0.782 67.983 68.868 -0.171 0.000 0.883 267 T HN -0.038 nan 8.240 nan 0.000 0.493 268 L N 0.365 121.589 121.223 0.002 0.000 2.465 268 L HA 0.135 4.475 4.340 -0.000 0.000 0.224 268 L C 2.724 179.648 176.870 0.090 0.000 1.145 268 L CA 0.755 55.621 54.840 0.045 0.000 0.834 268 L CB -0.707 41.402 42.059 0.082 0.000 0.944 268 L HN 0.345 nan 8.230 nan 0.000 0.451 269 G N -0.431 108.436 108.800 0.113 0.000 2.586 269 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 269 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 269 G C 1.546 176.561 174.900 0.191 0.000 1.128 269 G CA 0.135 45.358 45.100 0.205 0.000 0.774 269 G HN 0.167 nan 8.290 nan 0.000 0.543 270 M N -0.027 119.616 119.600 0.072 0.000 2.506 270 M HA 0.101 4.581 4.480 -0.000 0.000 0.260 270 M C 1.957 178.249 176.300 -0.013 0.000 1.104 270 M CA 0.749 56.060 55.300 0.018 0.000 1.112 270 M CB -0.204 32.374 32.600 -0.037 0.000 1.401 270 M HN 0.199 nan 8.290 nan 0.000 0.473 271 K N 0.206 120.619 120.400 0.021 0.000 2.525 271 K HA 0.167 4.487 4.320 -0.000 0.000 0.192 271 K C 0.383 177.005 176.600 0.037 0.000 1.029 271 K CA 0.479 56.783 56.287 0.028 0.000 1.029 271 K CB 0.288 32.827 32.500 0.066 0.000 0.814 271 K HN 0.310 nan 8.250 nan 0.000 0.503 272 I N 1.119 121.680 120.570 -0.014 0.000 2.441 272 I HA 0.140 4.310 4.170 -0.000 0.000 0.295 272 I C 0.143 176.095 176.117 -0.275 0.000 0.994 272 I CA -0.803 60.404 61.300 -0.155 0.000 1.144 272 I CB 1.415 39.197 38.000 -0.364 0.000 1.314 272 I HN 0.045 nan 8.210 nan 0.000 0.445 273 H N 5.731 124.681 119.070 -0.200 0.000 2.527 273 H HA 0.370 4.926 4.556 -0.000 0.000 0.321 273 H C -1.199 173.979 175.328 -0.251 0.000 1.087 273 H CA -0.102 55.924 56.048 -0.037 0.000 1.337 273 H CB 1.379 31.232 29.762 0.152 0.000 1.440 273 H HN 0.321 nan 8.280 nan 0.000 0.490 274 F N 1.892 121.915 119.950 0.121 0.000 2.482 274 F HA 0.156 4.683 4.527 -0.000 0.000 0.331 274 F C 0.448 176.253 175.800 0.008 0.000 1.115 274 F CA -0.735 57.261 58.000 -0.006 0.000 0.955 274 F CB 1.437 40.433 39.000 -0.005 0.000 1.136 274 F HN 0.461 nan 8.300 nan 0.000 0.452 275 N N 4.888 123.623 118.700 0.058 0.000 2.448 275 N HA 0.451 5.191 4.740 -0.000 0.000 0.279 275 N C -2.976 172.565 175.510 0.052 0.000 1.025 275 N CA -2.274 50.824 53.050 0.080 0.000 0.898 275 N CB 2.117 40.676 38.487 0.120 0.000 1.303 275 N HN 0.058 nan 8.380 nan 0.000 0.495 276 P HA 0.296 nan 4.420 nan 0.000 0.274 276 P C -2.612 174.753 177.300 0.107 0.000 1.256 276 P CA -1.024 62.125 63.100 0.082 0.000 0.795 276 P CB -0.396 31.334 31.700 0.051 0.000 1.038 277 P HA 0.031 nan 4.420 nan 0.000 0.267 277 P C 0.113 177.420 177.300 0.012 0.000 1.201 277 P CA 0.444 63.594 63.100 0.083 0.000 0.775 277 P CB 0.157 31.890 31.700 0.056 0.000 0.854 278 L N 3.958 125.147 121.223 -0.057 0.000 2.483 278 L HA 0.143 4.483 4.340 -0.000 0.000 0.275 278 L C -1.652 175.158 176.870 -0.100 0.000 1.220 278 L CA -1.543 53.191 54.840 -0.177 0.000 0.833 278 L CB -0.472 41.404 42.059 -0.306 0.000 1.102 278 L HN 0.316 nan 8.230 nan 0.000 0.490 279 P HA -0.018 nan 4.420 nan 0.000 0.271 279 P C 0.604 177.868 177.300 -0.062 0.000 1.218 279 P CA -0.333 62.728 63.100 -0.066 0.000 0.780 279 P CB 0.532 32.194 31.700 -0.063 0.000 0.901 280 M N 2.287 121.864 119.600 -0.039 0.000 2.089 280 M HA -0.233 4.247 4.480 -0.000 0.000 0.257 280 M C 1.142 177.441 176.300 -0.002 0.000 1.071 280 M CA 2.349 57.636 55.300 -0.022 0.000 1.096 280 M CB -0.493 32.098 32.600 -0.014 0.000 1.330 280 M HN 0.160 nan 8.290 nan 0.000 0.403 281 M N -0.078 119.517 119.600 -0.008 0.000 2.080 281 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 281 M C 2.345 178.685 176.300 0.067 0.000 1.068 281 M CA 2.061 57.392 55.300 0.051 0.000 1.109 281 M CB -1.512 31.063 32.600 -0.042 0.000 1.342 281 M HN 0.452 nan 8.290 nan 0.000 0.405 282 R N 0.314 120.784 120.500 -0.049 0.000 2.075 282 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 282 R C 2.025 178.246 176.300 -0.133 0.000 1.126 282 R CA 1.714 57.740 56.100 -0.123 0.000 0.963 282 R CB -0.272 29.910 30.300 -0.196 0.000 0.858 282 R HN 0.318 nan 8.270 nan 0.000 0.435 283 N N 0.440 119.075 118.700 -0.108 0.000 2.049 283 N HA -0.264 4.476 4.740 -0.000 0.000 0.198 283 N C 1.539 176.987 175.510 -0.103 0.000 1.030 283 N CA 2.291 55.286 53.050 -0.093 0.000 0.870 283 N CB -0.047 38.407 38.487 -0.056 0.000 1.045 283 N HN 0.418 nan 8.380 nan 0.000 0.434 284 Q N -1.336 118.410 119.800 -0.091 0.000 2.204 284 Q HA 0.015 4.355 4.340 -0.000 0.000 0.198 284 Q C 2.005 177.773 176.000 -0.386 0.000 0.946 284 Q CA 0.336 56.035 55.803 -0.173 0.000 0.859 284 Q CB -0.081 28.615 28.738 -0.070 0.000 0.946 284 Q HN 0.443 nan 8.270 nan 0.000 0.474 285 M N 1.643 121.020 119.600 -0.371 0.000 2.116 285 M HA -0.219 4.261 4.480 -0.000 0.000 0.255 285 M C 2.022 178.096 176.300 -0.377 0.000 1.075 285 M CA 1.747 56.779 55.300 -0.448 0.000 1.087 285 M CB -0.477 32.029 32.600 -0.157 0.000 1.340 285 M HN 0.334 nan 8.290 nan 0.000 0.402 286 I N -2.332 118.075 120.570 -0.271 0.000 3.111 286 I HA -0.075 4.095 4.170 -0.000 0.000 0.272 286 I C 1.610 177.588 176.117 -0.231 0.000 1.268 286 I CA 1.415 62.577 61.300 -0.229 0.000 1.467 286 I CB -1.011 36.899 38.000 -0.150 0.000 1.087 286 I HN 0.275 nan 8.210 nan 0.000 0.467 287 T N -2.097 112.308 114.554 -0.250 0.000 3.107 287 T HA 0.233 4.583 4.350 -0.000 0.000 0.249 287 T C 1.513 176.043 174.700 -0.283 0.000 1.096 287 T CA -0.008 61.956 62.100 -0.227 0.000 1.012 287 T CB -0.095 68.661 68.868 -0.186 0.000 0.977 287 T HN 0.392 nan 8.240 nan 0.000 0.527 288 R N 0.755 121.030 120.500 -0.375 0.000 2.535 288 R HA 0.333 4.673 4.340 -0.000 0.000 0.323 288 R C -0.293 175.696 176.300 -0.519 0.000 0.979 288 R CA -0.021 55.826 56.100 -0.422 0.000 1.120 288 R CB 1.491 31.477 30.300 -0.525 0.000 1.306 288 R HN 0.429 nan 8.270 nan 0.000 0.540 289 V N -0.944 118.634 119.914 -0.560 0.000 2.538 289 V HA 0.537 4.657 4.120 -0.000 0.000 0.265 289 V C -2.889 172.823 176.094 -0.636 0.000 0.977 289 V CA -2.264 59.573 62.300 -0.772 0.000 0.852 289 V CB 1.200 32.478 31.823 -0.907 0.000 1.058 289 V HN -0.110 nan 8.190 nan 0.000 0.462 290 P HA 0.634 nan 4.420 nan 0.000 0.281 290 P C -0.799 176.177 177.300 -0.540 0.000 1.264 290 P CA -0.553 62.220 63.100 -0.546 0.000 0.824 290 P CB 2.109 33.472 31.700 -0.562 0.000 1.092 291 L N 0.460 121.536 121.223 -0.245 0.000 2.375 291 L HA 0.567 4.907 4.340 -0.000 0.000 0.268 291 L C 1.578 178.491 176.870 0.072 0.000 1.058 291 L CA -0.181 54.611 54.840 -0.080 0.000 0.803 291 L CB 0.102 42.142 42.059 -0.031 0.000 1.212 291 L HN 0.475 nan 8.230 nan 0.000 0.451 292 G N 0.124 108.984 108.800 0.101 0.000 2.750 292 G HA2 0.314 4.274 3.960 -0.000 0.000 0.250 292 G HA3 0.314 4.274 3.960 -0.000 0.000 0.250 292 G C -0.589 174.296 174.900 -0.024 0.000 1.230 292 G CA -0.348 44.760 45.100 0.014 0.000 0.883 292 G HN 0.505 nan 8.290 nan 0.000 0.573 293 S N -1.038 114.624 115.700 -0.064 0.000 2.756 293 S HA 0.510 4.980 4.470 -0.000 0.000 0.303 293 S C -0.964 173.615 174.600 -0.036 0.000 1.135 293 S CA -0.485 57.709 58.200 -0.010 0.000 1.066 293 S CB 1.566 64.772 63.200 0.011 0.000 1.008 293 S HN 0.804 nan 8.310 nan 0.000 0.482 294 V N 5.180 125.117 119.914 0.038 0.000 2.932 294 V HA 0.598 4.718 4.120 -0.000 0.000 0.307 294 V C -1.714 174.536 176.094 0.259 0.000 1.147 294 V CA -0.880 61.483 62.300 0.105 0.000 0.951 294 V CB 1.794 33.639 31.823 0.037 0.000 1.031 294 V HN 0.848 nan 8.190 nan 0.000 0.426 295 I N 5.337 126.069 120.570 0.270 0.000 2.339 295 I HA 0.481 4.651 4.170 -0.000 0.000 0.290 295 I C -0.114 176.229 176.117 0.377 0.000 0.994 295 I CA -0.603 60.870 61.300 0.288 0.000 1.191 295 I CB 1.516 39.629 38.000 0.188 0.000 1.343 295 I HN 0.572 nan 8.210 nan 0.000 0.458 296 K N 6.111 126.773 120.400 0.437 0.000 2.227 296 K HA 0.500 4.820 4.320 -0.000 0.000 0.280 296 K C -1.368 175.336 176.600 0.172 0.000 1.041 296 K CA -0.235 56.275 56.287 0.373 0.000 0.905 296 K CB 0.873 33.670 32.500 0.495 0.000 1.068 296 K HN 0.677 nan 8.250 nan 0.000 0.470 297 C N 5.568 124.922 119.300 0.091 0.000 2.369 297 C HA 0.563 5.023 4.460 -0.000 0.000 0.322 297 C C -0.901 174.112 174.990 0.039 0.000 1.258 297 C CA -1.015 58.052 59.018 0.081 0.000 1.487 297 C CB -0.040 27.846 27.740 0.245 0.000 2.165 297 C HN 0.766 nan 8.230 nan 0.000 0.483 298 I N 3.408 123.962 120.570 -0.027 0.000 2.439 298 I HA 0.359 4.529 4.170 -0.000 0.000 0.283 298 I C -0.189 175.884 176.117 -0.073 0.000 1.023 298 I CA -0.137 61.091 61.300 -0.121 0.000 1.100 298 I CB 1.224 39.088 38.000 -0.227 0.000 1.238 298 I HN 0.315 nan 8.210 nan 0.000 0.445 299 V N 6.593 126.490 119.914 -0.028 0.000 2.432 299 V HA 0.314 4.434 4.120 -0.000 0.000 0.275 299 V C -0.500 175.356 176.094 -0.397 0.000 1.043 299 V CA -0.535 61.743 62.300 -0.036 0.000 0.925 299 V CB 0.539 32.383 31.823 0.034 0.000 0.985 299 V HN 0.401 nan 8.190 nan 0.000 0.466 300 Y N 4.224 124.454 120.300 -0.116 0.000 2.334 300 Y HA 0.630 5.180 4.550 -0.000 0.000 0.328 300 Y C -0.221 175.532 175.900 -0.244 0.000 1.130 300 Y CA -0.410 57.667 58.100 -0.038 0.000 1.163 300 Y CB 1.155 39.696 38.460 0.134 0.000 1.207 300 Y HN 0.521 nan 8.280 nan 0.000 0.471 301 Y N 0.441 120.979 120.300 0.397 0.000 2.570 301 Y HA 0.289 4.839 4.550 0.000 0.000 0.345 301 Y C 1.257 177.291 175.900 0.223 0.000 1.014 301 Y CA -1.347 56.957 58.100 0.340 0.000 1.063 301 Y CB 1.855 40.616 38.460 0.502 0.000 1.272 301 Y HN 0.517 nan 8.280 nan 0.000 0.477 302 K N 0.658 121.253 120.400 0.326 0.000 2.015 302 K HA -0.188 4.132 4.320 -0.000 0.000 0.216 302 K C -0.309 176.360 176.600 0.115 0.000 1.052 302 K CA 1.900 58.283 56.287 0.160 0.000 0.937 302 K CB 0.046 32.612 32.500 0.110 0.000 0.719 302 K HN 0.751 nan 8.250 nan 0.000 0.446 303 E N -0.830 119.448 120.200 0.130 0.000 2.249 303 E HA 0.225 4.575 4.350 -0.000 0.000 0.263 303 E C -2.575 173.915 176.600 -0.183 0.000 0.950 303 E CA -2.344 54.052 56.400 -0.007 0.000 0.827 303 E CB 1.790 31.469 29.700 -0.034 0.000 1.220 303 E HN 0.059 nan 8.360 nan 0.000 0.411 304 P HA 0.052 nan 4.420 nan 0.000 0.231 304 P C 0.002 176.410 177.300 -1.486 0.000 1.811 304 P CA -0.058 62.163 63.100 -1.465 0.000 1.051 304 P CB -0.704 30.445 31.700 -0.919 0.000 1.951 305 F N 0.163 119.503 119.950 -1.016 0.000 2.333 305 F HA -0.065 4.462 4.527 -0.000 0.000 0.300 305 F C 1.641 177.254 175.800 -0.311 0.000 1.083 305 F CA -0.098 57.625 58.000 -0.462 0.000 1.395 305 F CB -1.601 37.267 39.000 -0.220 0.000 1.056 305 F HN 0.142 nan 8.300 nan 0.000 0.529 306 W N 1.443 122.458 121.300 -0.475 0.000 2.467 306 W HA 0.128 4.788 4.660 0.000 0.000 0.275 306 W C 1.911 178.375 176.519 -0.092 0.000 1.239 306 W CA 0.535 57.744 57.345 -0.226 0.000 1.266 306 W CB -1.060 28.176 29.460 -0.372 0.000 1.112 306 W HN -0.154 nan 8.180 nan 0.000 0.576 307 R N 1.283 121.577 120.500 -0.344 0.000 2.115 307 R HA -0.054 4.286 4.340 -0.000 0.000 0.230 307 R C 1.972 178.192 176.300 -0.134 0.000 1.111 307 R CA 1.551 57.553 56.100 -0.163 0.000 0.976 307 R CB -0.506 29.656 30.300 -0.231 0.000 0.870 307 R HN 0.259 nan 8.270 nan 0.000 0.445 308 K N 1.248 121.561 120.400 -0.146 0.000 2.063 308 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 308 K C 1.589 178.123 176.600 -0.110 0.000 1.048 308 K CA 1.402 57.629 56.287 -0.101 0.000 0.928 308 K CB 0.006 32.467 32.500 -0.066 0.000 0.713 308 K HN 0.117 nan 8.250 nan 0.000 0.442 309 K N 0.774 121.092 120.400 -0.137 0.000 2.551 309 K HA -0.070 4.250 4.320 -0.000 0.000 0.192 309 K C -0.229 176.074 176.600 -0.495 0.000 1.027 309 K CA 0.488 56.598 56.287 -0.294 0.000 1.059 309 K CB 0.086 32.391 32.500 -0.325 0.000 0.831 309 K HN 0.123 nan 8.250 nan 0.000 0.508 310 D N -0.217 120.015 120.400 -0.280 0.000 2.907 310 D HA -0.212 4.428 4.640 -0.000 0.000 0.226 310 D C -1.303 174.915 176.300 -0.137 0.000 1.141 310 D CA 0.789 54.676 54.000 -0.188 0.000 0.779 310 D CB -1.519 39.194 40.800 -0.145 0.000 1.095 310 D HN 0.367 nan 8.370 nan 0.000 0.430 311 Y N -0.614 119.718 120.300 0.053 0.000 2.330 311 Y HA 0.318 4.868 4.550 0.000 0.000 0.336 311 Y C 2.153 178.126 175.900 0.122 0.000 1.036 311 Y CA -0.854 57.278 58.100 0.052 0.000 1.125 311 Y CB 1.127 39.624 38.460 0.063 0.000 1.194 311 Y HN 0.276 nan 8.280 nan 0.000 0.469 312 C N -1.008 118.409 119.300 0.195 0.000 2.485 312 C HA 0.486 4.946 4.460 -0.000 0.000 0.277 312 C C 1.726 176.783 174.990 0.111 0.000 1.376 312 C CA 0.623 59.730 59.018 0.149 0.000 1.759 312 C CB -0.735 27.024 27.740 0.032 0.000 1.970 312 C HN 1.192 nan 8.230 nan 0.000 0.509 313 G N -0.277 108.430 108.800 -0.155 0.000 2.421 313 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.188 313 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.188 313 G C 0.043 174.634 174.900 -0.516 0.000 1.001 313 G CA 0.135 44.882 45.100 -0.587 0.000 0.693 313 G HN 0.524 nan 8.290 nan 0.000 0.479 314 T N 2.446 116.782 114.554 -0.364 0.000 2.870 314 T HA 0.615 4.965 4.350 -0.000 0.000 0.300 314 T C 0.205 174.681 174.700 -0.373 0.000 0.989 314 T CA 0.674 62.527 62.100 -0.412 0.000 1.139 314 T CB 0.863 69.547 68.868 -0.306 0.000 0.920 314 T HN 0.297 nan 8.240 nan 0.000 0.537 315 M N 3.709 123.064 119.600 -0.408 0.000 2.271 315 M HA 0.439 4.919 4.480 -0.000 0.000 0.285 315 M C -1.057 175.211 176.300 -0.053 0.000 1.059 315 M CA -0.505 54.680 55.300 -0.192 0.000 0.940 315 M CB 2.346 34.822 32.600 -0.207 0.000 1.636 315 M HN 0.424 nan 8.290 nan 0.000 0.460 316 I N 4.878 125.578 120.570 0.216 0.000 2.337 316 I HA 0.406 4.576 4.170 -0.000 0.000 0.285 316 I C -0.847 175.538 176.117 0.446 0.000 1.041 316 I CA -0.360 61.179 61.300 0.398 0.000 1.199 316 I CB 0.542 38.785 38.000 0.405 0.000 1.370 316 I HN 0.591 nan 8.210 nan 0.000 0.470 317 I N 4.924 125.704 120.570 0.351 0.000 2.328 317 I HA 0.270 4.440 4.170 -0.000 0.000 0.287 317 I C 0.031 176.324 176.117 0.294 0.000 1.012 317 I CA -0.414 61.075 61.300 0.314 0.000 1.195 317 I CB 0.889 39.016 38.000 0.212 0.000 1.350 317 I HN 0.422 nan 8.210 nan 0.000 0.464 318 D N 4.796 125.372 120.400 0.293 0.000 2.313 318 D HA 0.569 5.209 4.640 -0.000 0.000 0.247 318 D C 0.339 176.744 176.300 0.175 0.000 1.094 318 D CA 0.721 54.859 54.000 0.229 0.000 0.925 318 D CB 1.875 42.798 40.800 0.204 0.000 1.188 318 D HN 0.806 nan 8.370 nan 0.000 0.430 319 G N 1.757 110.642 108.800 0.142 0.000 2.650 319 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 319 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 319 G C 0.513 175.481 174.900 0.113 0.000 1.205 319 G CA 0.057 45.225 45.100 0.114 0.000 0.781 319 G HN 0.452 nan 8.290 nan 0.000 0.648 320 E N 0.213 120.474 120.200 0.102 0.000 2.152 320 E HA -0.007 4.343 4.350 -0.000 0.000 0.192 320 E C 2.171 178.832 176.600 0.102 0.000 0.983 320 E CA 2.227 58.697 56.400 0.117 0.000 0.818 320 E CB -0.027 29.741 29.700 0.114 0.000 0.758 320 E HN 0.644 nan 8.360 nan 0.000 0.467 321 E N 0.723 120.973 120.200 0.084 0.000 2.204 321 E HA -0.006 4.344 4.350 -0.000 0.000 0.195 321 E C 0.476 177.111 176.600 0.059 0.000 0.990 321 E CA 0.977 57.417 56.400 0.067 0.000 0.821 321 E CB -0.569 29.168 29.700 0.062 0.000 0.750 321 E HN 0.294 nan 8.360 nan 0.000 0.477 322 A N 2.630 125.493 122.820 0.073 0.000 2.451 322 A HA 0.199 4.519 4.320 -0.000 0.000 0.266 322 A C -1.350 176.261 177.584 0.045 0.000 1.119 322 A CA -1.207 50.866 52.037 0.060 0.000 0.786 322 A CB 0.199 19.258 19.000 0.099 0.000 1.061 322 A HN -0.010 nan 8.150 nan 0.000 0.503 323 P HA -0.073 nan 4.420 nan 0.000 0.215 323 P C 0.321 177.650 177.300 0.048 0.000 1.153 323 P CA 1.069 64.177 63.100 0.014 0.000 0.853 323 P CB 0.061 31.750 31.700 -0.019 0.000 0.788 324 V N -0.037 119.918 119.914 0.069 0.000 2.417 324 V HA 0.472 4.592 4.120 -0.000 0.000 0.291 324 V C 1.117 177.319 176.094 0.181 0.000 1.024 324 V CA -0.088 62.300 62.300 0.146 0.000 0.861 324 V CB 1.302 33.226 31.823 0.168 0.000 0.985 324 V HN -0.001 nan 8.190 nan 0.000 0.436 325 A N 4.650 127.610 122.820 0.234 0.000 2.267 325 A HA 0.368 4.688 4.320 -0.000 0.000 0.213 325 A C 0.074 177.887 177.584 0.381 0.000 1.192 325 A CA 0.435 52.632 52.037 0.267 0.000 0.851 325 A CB 0.149 19.291 19.000 0.236 0.000 0.881 325 A HN 0.788 nan 8.150 nan 0.000 0.494 326 Y N -0.563 119.863 120.300 0.209 0.000 2.521 326 Y HA 0.462 5.012 4.550 0.000 0.000 0.332 326 Y C -0.433 175.534 175.900 0.111 0.000 1.121 326 Y CA -0.264 57.946 58.100 0.183 0.000 1.037 326 Y CB 1.366 39.977 38.460 0.252 0.000 1.330 326 Y HN 0.142 nan 8.280 nan 0.000 0.452 327 T N 3.666 117.914 114.554 -0.510 0.000 2.883 327 T HA 0.867 5.217 4.350 -0.000 0.000 0.296 327 T C -1.859 172.452 174.700 -0.648 0.000 1.117 327 T CA -0.799 61.023 62.100 -0.464 0.000 1.006 327 T CB 1.863 70.456 68.868 -0.459 0.000 1.191 327 T HN 0.682 nan 8.240 nan 0.000 0.508 328 L N 1.160 122.115 121.223 -0.447 0.000 2.513 328 L HA 0.410 4.750 4.340 -0.000 0.000 0.261 328 L C -0.914 175.784 176.870 -0.287 0.000 0.945 328 L CA -1.150 53.482 54.840 -0.345 0.000 0.848 328 L CB 2.353 44.290 42.059 -0.203 0.000 1.334 328 L HN 0.803 nan 8.230 nan 0.000 0.407 329 D N 1.596 121.853 120.400 -0.239 0.000 2.502 329 D HA -0.095 4.545 4.640 -0.000 0.000 0.249 329 D C -0.060 176.263 176.300 0.037 0.000 1.188 329 D CA 0.726 54.672 54.000 -0.089 0.000 0.890 329 D CB 0.941 41.803 40.800 0.104 0.000 1.140 329 D HN 0.468 nan 8.370 nan 0.000 0.505 330 D N 2.126 122.546 120.400 0.034 0.000 2.388 330 D HA 0.049 4.689 4.640 -0.000 0.000 0.221 330 D C -0.287 176.103 176.300 0.149 0.000 1.133 330 D CA -0.133 53.919 54.000 0.087 0.000 0.831 330 D CB 0.333 41.126 40.800 -0.012 0.000 0.962 330 D HN 0.219 nan 8.370 nan 0.000 0.502 331 T N 1.476 116.151 114.554 0.203 0.000 2.930 331 T HA 0.055 4.405 4.350 -0.000 0.000 0.306 331 T C 0.528 175.301 174.700 0.121 0.000 1.045 331 T CA -0.387 61.827 62.100 0.191 0.000 1.134 331 T CB 0.868 69.847 68.868 0.185 0.000 0.961 331 T HN -0.076 nan 8.240 nan 0.000 0.545 332 K N 3.837 124.275 120.400 0.063 0.000 2.518 332 K HA 0.022 4.342 4.320 -0.000 0.000 0.276 332 K C -1.398 175.104 176.600 -0.164 0.000 0.974 332 K CA -1.747 54.489 56.287 -0.085 0.000 0.986 332 K CB 0.021 32.489 32.500 -0.052 0.000 0.901 332 K HN 0.361 nan 8.250 nan 0.000 0.497 333 P HA -0.135 nan 4.420 nan 0.000 0.221 333 P C 0.190 177.405 177.300 -0.142 0.000 1.145 333 P CA 1.290 64.156 63.100 -0.390 0.000 0.795 333 P CB 0.355 31.669 31.700 -0.643 0.000 0.775 334 E N -0.922 119.222 120.200 -0.093 0.000 2.482 334 E HA 0.185 4.535 4.350 -0.000 0.000 0.196 334 E C 1.530 178.125 176.600 -0.008 0.000 1.047 334 E CA 0.851 57.234 56.400 -0.027 0.000 0.869 334 E CB -0.752 28.951 29.700 0.005 0.000 0.836 334 E HN 0.293 nan 8.360 nan 0.000 0.520 335 G N 0.957 109.755 108.800 -0.003 0.000 2.144 335 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 335 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 335 G C -0.064 174.843 174.900 0.012 0.000 0.988 335 G CA 0.188 45.288 45.100 -0.001 0.000 0.659 335 G HN 0.358 nan 8.290 nan 0.000 0.522 336 N N -1.077 117.659 118.700 0.059 0.000 2.531 336 N HA 0.577 5.317 4.740 -0.000 0.000 0.290 336 N C 0.384 176.024 175.510 0.217 0.000 1.257 336 N CA -1.115 51.972 53.050 0.062 0.000 0.863 336 N CB 0.340 38.832 38.487 0.007 0.000 1.320 336 N HN 0.592 nan 8.380 nan 0.000 0.538 337 Y N -2.402 117.927 120.300 0.048 0.000 3.234 337 Y HA -0.165 4.385 4.550 0.000 0.000 0.207 337 Y C 0.450 176.482 175.900 0.221 0.000 1.316 337 Y CA 0.377 58.548 58.100 0.119 0.000 1.309 337 Y CB -2.188 36.297 38.460 0.042 0.000 1.408 337 Y HN 0.785 nan 8.280 nan 0.000 0.544 338 A N 0.367 123.350 122.820 0.271 0.000 2.561 338 A HA 0.564 4.884 4.320 -0.000 0.000 0.251 338 A C 0.716 178.554 177.584 0.423 0.000 1.062 338 A CA 0.682 52.888 52.037 0.282 0.000 0.761 338 A CB 0.001 19.094 19.000 0.156 0.000 0.986 338 A HN 1.320 nan 8.150 nan 0.000 0.510 339 A N 2.903 125.960 122.820 0.396 0.000 2.587 339 A HA 0.717 5.037 4.320 -0.000 0.000 0.293 339 A C -0.873 176.713 177.584 0.004 0.000 1.087 339 A CA -0.556 51.554 52.037 0.123 0.000 0.692 339 A CB 1.046 19.805 19.000 -0.403 0.000 1.291 339 A HN 0.680 nan 8.150 nan 0.000 0.407 340 I N 1.924 122.367 120.570 -0.211 0.000 2.433 340 I HA 0.388 4.558 4.170 -0.000 0.000 0.292 340 I C -0.340 175.585 176.117 -0.320 0.000 1.001 340 I CA -0.380 60.648 61.300 -0.453 0.000 1.119 340 I CB 1.675 39.206 38.000 -0.781 0.000 1.289 340 I HN 0.707 nan 8.210 nan 0.000 0.438 341 M N 5.422 124.845 119.600 -0.295 0.000 2.238 341 M HA 0.647 5.127 4.480 -0.000 0.000 0.350 341 M C -0.434 175.715 176.300 -0.252 0.000 1.138 341 M CA -0.202 54.963 55.300 -0.225 0.000 1.040 341 M CB 1.234 33.733 32.600 -0.168 0.000 1.639 341 M HN 0.723 nan 8.290 nan 0.000 0.451 342 G N 4.246 112.950 108.800 -0.161 0.000 2.612 342 G HA2 0.685 4.645 3.960 -0.000 0.000 0.298 342 G HA3 0.685 4.645 3.960 -0.000 0.000 0.298 342 G C -1.951 172.885 174.900 -0.107 0.000 1.336 342 G CA -0.546 44.503 45.100 -0.085 0.000 0.953 342 G HN 0.639 nan 8.290 nan 0.000 0.482 343 F N 0.414 120.507 119.950 0.239 0.000 2.421 343 F HA 0.502 5.029 4.527 0.000 0.000 0.337 343 F C 0.581 176.484 175.800 0.173 0.000 1.105 343 F CA -0.665 57.472 58.000 0.228 0.000 1.049 343 F CB 2.089 41.249 39.000 0.267 0.000 1.139 343 F HN 0.056 nan 8.300 nan 0.000 0.479 344 I N 5.122 125.888 120.570 0.326 0.000 2.297 344 I HA 0.244 4.414 4.170 -0.000 0.000 0.291 344 I C -0.646 175.550 176.117 0.132 0.000 1.033 344 I CA -0.239 61.170 61.300 0.182 0.000 1.253 344 I CB 0.632 38.711 38.000 0.132 0.000 1.396 344 I HN 0.375 nan 8.210 nan 0.000 0.476 345 L N 6.538 127.797 121.223 0.061 0.000 2.325 345 L HA 0.700 5.040 4.340 -0.000 0.000 0.279 345 L C 1.024 177.831 176.870 -0.104 0.000 1.054 345 L CA -0.152 54.678 54.840 -0.016 0.000 0.804 345 L CB 1.399 43.454 42.059 -0.008 0.000 1.200 345 L HN 0.901 nan 8.230 nan 0.000 0.436 346 A N 2.035 124.793 122.820 -0.104 0.000 5.382 346 A HA -0.347 3.973 4.320 -0.000 0.000 0.307 346 A C 1.538 179.083 177.584 -0.064 0.000 1.937 346 A CA 1.405 53.385 52.037 -0.096 0.000 0.715 346 A CB -1.537 17.401 19.000 -0.102 0.000 1.293 346 A HN 1.065 nan 8.150 nan 0.000 0.374 347 H N 0.687 119.749 119.070 -0.013 0.000 2.491 347 H HA 0.081 4.637 4.556 -0.000 0.000 0.290 347 H C 1.650 176.995 175.328 0.029 0.000 1.050 347 H CA 1.476 57.533 56.048 0.015 0.000 1.309 347 H CB -0.276 29.503 29.762 0.028 0.000 1.392 347 H HN 0.702 nan 8.280 nan 0.000 0.554 348 K N 0.719 120.797 120.400 -0.536 0.000 2.283 348 K HA 0.038 4.358 4.320 -0.000 0.000 0.202 348 K C 2.368 178.931 176.600 -0.061 0.000 1.048 348 K CA 0.883 57.005 56.287 -0.275 0.000 0.948 348 K CB 0.126 32.461 32.500 -0.274 0.000 0.742 348 K HN 0.356 nan 8.250 nan 0.000 0.458 349 A N 0.844 123.646 122.820 -0.031 0.000 1.970 349 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 349 A C 1.958 179.568 177.584 0.044 0.000 1.170 349 A CA 0.842 52.898 52.037 0.030 0.000 0.645 349 A CB -0.098 18.928 19.000 0.044 0.000 0.816 349 A HN 0.081 nan 8.150 nan 0.000 0.447 350 R N -0.013 120.516 120.500 0.048 0.000 2.075 350 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 350 R C 2.260 178.596 176.300 0.060 0.000 1.126 350 R CA 1.730 57.865 56.100 0.059 0.000 0.963 350 R CB -0.225 30.120 30.300 0.075 0.000 0.858 350 R HN 0.574 nan 8.270 nan 0.000 0.435 351 K N 0.385 120.828 120.400 0.070 0.000 2.044 351 K HA -0.002 4.318 4.320 -0.000 0.000 0.204 351 K C 1.530 178.162 176.600 0.052 0.000 1.049 351 K CA 0.997 57.327 56.287 0.072 0.000 0.945 351 K CB 0.131 32.696 32.500 0.108 0.000 0.724 351 K HN 0.153 nan 8.250 nan 0.000 0.440 352 L N 0.619 121.869 121.223 0.046 0.000 2.554 352 L HA 0.070 4.410 4.340 -0.000 0.000 0.226 352 L C 2.272 179.169 176.870 0.045 0.000 1.137 352 L CA 0.357 55.222 54.840 0.041 0.000 0.863 352 L CB -0.275 41.807 42.059 0.039 0.000 0.985 352 L HN 0.216 nan 8.230 nan 0.000 0.451 353 A N 0.724 123.572 122.820 0.046 0.000 2.019 353 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 353 A C 2.323 179.928 177.584 0.035 0.000 1.164 353 A CA 0.993 53.056 52.037 0.043 0.000 0.644 353 A CB -0.322 18.703 19.000 0.041 0.000 0.805 353 A HN 0.374 nan 8.150 nan 0.000 0.449 354 R N -0.437 120.083 120.500 0.033 0.000 2.193 354 R HA 0.053 4.393 4.340 -0.000 0.000 0.229 354 R C 0.289 176.604 176.300 0.025 0.000 1.110 354 R CA 0.262 56.378 56.100 0.027 0.000 0.988 354 R CB -0.605 29.711 30.300 0.025 0.000 0.871 354 R HN 0.428 nan 8.270 nan 0.000 0.458 355 L N 1.232 122.471 121.223 0.028 0.000 2.476 355 L HA 0.066 4.406 4.340 -0.000 0.000 0.255 355 L C 1.138 178.026 176.870 0.030 0.000 1.218 355 L CA -0.234 54.621 54.840 0.025 0.000 0.819 355 L CB 0.350 42.423 42.059 0.024 0.000 1.119 355 L HN 0.146 nan 8.230 nan 0.000 0.485 356 T N -2.597 111.973 114.554 0.027 0.000 2.849 356 T HA 0.113 4.463 4.350 -0.000 0.000 0.284 356 T C 0.881 175.614 174.700 0.054 0.000 1.004 356 T CA -0.690 61.431 62.100 0.034 0.000 1.021 356 T CB 1.276 70.159 68.868 0.026 0.000 1.013 356 T HN 0.671 nan 8.240 nan 0.000 0.527 357 K N 0.219 120.664 120.400 0.075 0.000 2.103 357 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 357 K C 1.729 178.399 176.600 0.116 0.000 1.048 357 K CA 1.841 58.212 56.287 0.141 0.000 0.930 357 K CB -0.104 32.481 32.500 0.142 0.000 0.716 357 K HN 0.708 nan 8.250 nan 0.000 0.444 358 E N 0.323 120.551 120.200 0.047 0.000 2.170 358 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 358 E C 1.625 178.195 176.600 -0.050 0.000 0.981 358 E CA 0.816 57.210 56.400 -0.010 0.000 0.830 358 E CB 0.164 29.867 29.700 0.004 0.000 0.775 358 E HN 0.361 nan 8.360 nan 0.000 0.470 359 E N 0.582 120.768 120.200 -0.023 0.000 2.077 359 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 359 E C 2.035 178.602 176.600 -0.055 0.000 0.989 359 E CA 0.760 57.142 56.400 -0.031 0.000 0.800 359 E CB -0.005 29.691 29.700 -0.008 0.000 0.746 359 E HN 0.128 nan 8.360 nan 0.000 0.452 360 R N 0.281 120.756 120.500 -0.041 0.000 2.092 360 R HA -0.109 4.231 4.340 -0.000 0.000 0.231 360 R C 2.462 178.643 176.300 -0.198 0.000 1.119 360 R CA 0.695 56.763 56.100 -0.054 0.000 0.970 360 R CB -0.320 30.014 30.300 0.058 0.000 0.864 360 R HN 0.119 nan 8.270 nan 0.000 0.440 361 L N 1.759 122.755 121.223 -0.377 0.000 2.079 361 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 361 L C 2.153 178.828 176.870 -0.325 0.000 1.081 361 L CA 1.856 56.316 54.840 -0.634 0.000 0.752 361 L CB -0.375 41.228 42.059 -0.760 0.000 0.896 361 L HN -0.037 nan 8.230 nan 0.000 0.433 362 K N -0.410 119.870 120.400 -0.201 0.000 2.002 362 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 362 K C 2.189 178.709 176.600 -0.133 0.000 1.048 362 K CA 1.696 57.906 56.287 -0.129 0.000 0.930 362 K CB -0.122 32.329 32.500 -0.081 0.000 0.714 362 K HN 0.264 nan 8.250 nan 0.000 0.438 363 K N 0.038 120.357 120.400 -0.135 0.000 2.057 363 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 363 K C 2.053 178.524 176.600 -0.215 0.000 1.049 363 K CA 1.276 57.485 56.287 -0.131 0.000 0.931 363 K CB -0.118 32.325 32.500 -0.095 0.000 0.714 363 K HN 0.056 nan 8.250 nan 0.000 0.440 364 L N 0.627 121.670 121.223 -0.300 0.000 2.056 364 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 364 L C 2.409 178.853 176.870 -0.709 0.000 1.078 364 L CA 1.480 55.974 54.840 -0.576 0.000 0.749 364 L CB -0.545 41.222 42.059 -0.486 0.000 0.901 364 L HN 0.239 nan 8.230 nan 0.000 0.433 365 C N -0.795 118.322 119.300 -0.304 0.000 2.462 365 C HA -0.147 4.313 4.460 -0.000 0.000 0.278 365 C C 2.638 177.608 174.990 -0.034 0.000 1.253 365 C CA 0.502 59.493 59.018 -0.044 0.000 1.713 365 C CB -0.687 27.077 27.740 0.039 0.000 2.049 365 C HN 0.546 nan 8.230 nan 0.000 0.477 366 E N 0.387 120.543 120.200 -0.073 0.000 2.065 366 E HA -0.297 4.053 4.350 -0.000 0.000 0.201 366 E C 1.948 178.507 176.600 -0.068 0.000 1.016 366 E CA 1.592 57.961 56.400 -0.051 0.000 0.818 366 E CB -0.395 29.273 29.700 -0.054 0.000 0.749 366 E HN 0.471 nan 8.360 nan 0.000 0.453 367 L N 0.516 121.651 121.223 -0.146 0.000 1.978 367 L HA -0.270 4.070 4.340 -0.000 0.000 0.218 367 L C 2.070 178.892 176.870 -0.080 0.000 1.075 367 L CA 1.909 56.654 54.840 -0.159 0.000 0.767 367 L CB -0.883 41.023 42.059 -0.255 0.000 0.890 367 L HN 0.285 nan 8.230 nan 0.000 0.434 368 Y N -0.697 119.585 120.300 -0.030 0.000 2.207 368 Y HA -0.276 4.274 4.550 -0.000 0.000 0.287 368 Y C 2.489 178.385 175.900 -0.007 0.000 1.156 368 Y CA 0.518 58.597 58.100 -0.035 0.000 1.182 368 Y CB -0.597 37.881 38.460 0.029 0.000 0.979 368 Y HN 0.422 nan 8.280 nan 0.000 0.521 369 A N 0.378 123.293 122.820 0.159 0.000 1.902 369 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 369 A C 2.097 179.717 177.584 0.060 0.000 1.181 369 A CA 1.841 53.944 52.037 0.111 0.000 0.623 369 A CB -0.541 18.501 19.000 0.070 0.000 0.818 369 A HN 0.368 nan 8.150 nan 0.000 0.443 370 K N -0.666 119.742 120.400 0.012 0.000 2.026 370 K HA -0.086 4.234 4.320 -0.000 0.000 0.208 370 K C 1.787 178.352 176.600 -0.058 0.000 1.048 370 K CA 1.658 57.938 56.287 -0.011 0.000 0.929 370 K CB -0.221 32.254 32.500 -0.042 0.000 0.713 370 K HN 0.272 nan 8.250 nan 0.000 0.439 371 V N 0.807 120.620 119.914 -0.168 0.000 2.591 371 V HA -0.129 3.991 4.120 -0.000 0.000 0.249 371 V C 1.802 177.802 176.094 -0.156 0.000 1.053 371 V CA 1.293 63.416 62.300 -0.295 0.000 1.068 371 V CB -0.181 31.416 31.823 -0.377 0.000 0.689 371 V HN 0.256 nan 8.190 nan 0.000 0.462 372 L N 0.353 121.545 121.223 -0.052 0.000 2.567 372 L HA 0.358 4.698 4.340 -0.000 0.000 0.225 372 L C 1.654 178.647 176.870 0.204 0.000 1.119 372 L CA 0.723 55.580 54.840 0.028 0.000 0.871 372 L CB -0.463 41.693 42.059 0.162 0.000 1.036 372 L HN 0.471 nan 8.230 nan 0.000 0.459 373 G N 0.766 109.643 108.800 0.127 0.000 2.366 373 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.299 373 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.299 373 G C -0.005 174.979 174.900 0.140 0.000 1.020 373 G CA 0.540 45.718 45.100 0.130 0.000 1.026 373 G HN 0.316 nan 8.290 nan 0.000 0.512 374 S N -0.881 114.903 115.700 0.140 0.000 2.647 374 S HA 0.477 4.947 4.470 -0.000 0.000 0.300 374 S C 1.265 175.855 174.600 -0.018 0.000 1.129 374 S CA -0.772 57.479 58.200 0.085 0.000 1.029 374 S CB 1.687 65.017 63.200 0.216 0.000 1.007 374 S HN 0.265 nan 8.310 nan 0.000 0.484 375 L N 2.185 123.369 121.223 -0.065 0.000 2.275 375 L HA -0.072 4.268 4.340 -0.000 0.000 0.215 375 L C 2.128 178.885 176.870 -0.188 0.000 1.119 375 L CA 1.085 55.873 54.840 -0.087 0.000 0.790 375 L CB -0.326 41.696 42.059 -0.062 0.000 0.919 375 L HN 0.702 nan 8.230 nan 0.000 0.443 376 E N 0.542 120.497 120.200 -0.409 0.000 2.265 376 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 376 E C 2.232 178.419 176.600 -0.689 0.000 0.996 376 E CA 0.943 56.945 56.400 -0.664 0.000 0.832 376 E CB -0.120 28.864 29.700 -1.193 0.000 0.756 376 E HN 0.532 nan 8.360 nan 0.000 0.491 377 A N 1.290 123.817 122.820 -0.488 0.000 2.067 377 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 377 A C 2.068 179.817 177.584 0.276 0.000 1.158 377 A CA 0.691 52.736 52.037 0.014 0.000 0.661 377 A CB -0.368 18.803 19.000 0.285 0.000 0.801 377 A HN 0.154 nan 8.150 nan 0.000 0.452 378 L N -0.221 121.070 121.223 0.113 0.000 2.599 378 L HA 0.050 4.390 4.340 -0.000 0.000 0.230 378 L C 0.186 177.138 176.870 0.136 0.000 1.141 378 L CA 0.167 55.076 54.840 0.115 0.000 0.877 378 L CB 0.010 42.092 42.059 0.038 0.000 1.009 378 L HN 0.196 nan 8.230 nan 0.000 0.447 379 E N 1.174 121.495 120.200 0.202 0.000 2.884 379 E HA 0.266 4.616 4.350 -0.000 0.000 0.221 379 E C -2.252 174.535 176.600 0.312 0.000 1.137 379 E CA -1.818 54.694 56.400 0.188 0.000 1.160 379 E CB 0.197 29.957 29.700 0.099 0.000 1.385 379 E HN 0.131 nan 8.360 nan 0.000 0.442 380 P HA 0.024 nan 4.420 nan 0.000 0.274 380 P C 1.125 178.459 177.300 0.057 0.000 1.231 380 P CA -0.194 62.883 63.100 -0.038 0.000 0.790 380 P CB 1.589 33.215 31.700 -0.123 0.000 0.951 381 V N -1.370 118.591 119.914 0.078 0.000 2.949 381 V HA 0.233 4.353 4.120 -0.000 0.000 0.245 381 V C 0.635 176.853 176.094 0.207 0.000 1.086 381 V CA 1.123 63.504 62.300 0.135 0.000 1.097 381 V CB -1.102 30.801 31.823 0.134 0.000 0.762 381 V HN 0.646 nan 8.190 nan 0.000 0.470 382 H N -1.280 117.871 119.070 0.135 0.000 3.017 382 H HA 0.665 5.221 4.556 -0.000 0.000 0.346 382 H C -2.169 173.402 175.328 0.406 0.000 1.286 382 H CA -1.013 55.136 56.048 0.168 0.000 1.120 382 H CB 2.148 31.889 29.762 -0.035 0.000 1.860 382 H HN 0.193 nan 8.280 nan 0.000 0.542 383 Y N 1.683 121.697 120.300 -0.477 0.000 2.441 383 Y HA 0.461 5.011 4.550 0.000 0.000 0.334 383 Y C -1.645 174.101 175.900 -0.256 0.000 1.061 383 Y CA -0.702 57.287 58.100 -0.184 0.000 1.032 383 Y CB 1.643 40.033 38.460 -0.117 0.000 1.266 383 Y HN 0.606 nan 8.280 nan 0.000 0.441 384 E N 4.749 124.702 120.200 -0.412 0.000 2.272 384 E HA 0.351 4.701 4.350 -0.000 0.000 0.269 384 E C -1.442 174.802 176.600 -0.594 0.000 0.877 384 E CA -0.749 55.412 56.400 -0.399 0.000 0.755 384 E CB 2.482 32.176 29.700 -0.010 0.000 1.192 384 E HN 0.783 nan 8.360 nan 0.000 0.422 385 E N 0.942 120.853 120.200 -0.480 0.000 2.331 385 E HA 0.596 4.946 4.350 -0.000 0.000 0.275 385 E C -1.088 175.446 176.600 -0.110 0.000 0.895 385 E CA -1.013 55.205 56.400 -0.303 0.000 0.753 385 E CB 2.633 32.120 29.700 -0.356 0.000 1.216 385 E HN 0.101 nan 8.360 nan 0.000 0.434 386 K N 1.963 122.360 120.400 -0.005 0.000 2.463 386 K HA 0.256 4.576 4.320 -0.000 0.000 0.255 386 K C -1.142 175.429 176.600 -0.047 0.000 0.942 386 K CA -0.847 55.380 56.287 -0.099 0.000 0.814 386 K CB 1.260 33.622 32.500 -0.230 0.000 1.122 386 K HN 0.532 nan 8.250 nan 0.000 0.425 387 N N 4.283 122.925 118.700 -0.097 0.000 2.521 387 N HA 0.054 4.794 4.740 -0.000 0.000 0.236 387 N C -0.146 175.349 175.510 -0.025 0.000 1.067 387 N CA -0.284 52.773 53.050 0.011 0.000 0.939 387 N CB 0.233 38.733 38.487 0.022 0.000 1.201 387 N HN 0.631 nan 8.380 nan 0.000 0.511 388 W N 2.091 123.437 121.300 0.077 0.000 2.595 388 W HA -0.007 4.653 4.660 -0.000 0.000 0.257 388 W C 2.081 178.621 176.519 0.036 0.000 1.267 388 W CA -0.014 57.370 57.345 0.065 0.000 1.300 388 W CB -0.327 29.188 29.460 0.091 0.000 1.120 388 W HN 0.571 nan 8.180 nan 0.000 0.618 389 C N 0.636 120.058 119.300 0.203 0.000 2.410 389 C HA -0.213 4.247 4.460 -0.000 0.000 0.281 389 C C 2.264 177.294 174.990 0.066 0.000 1.318 389 C CA 1.528 60.615 59.018 0.114 0.000 1.776 389 C CB -1.562 26.226 27.740 0.080 0.000 1.942 389 C HN 0.501 nan 8.230 nan 0.000 0.508 390 E N 0.909 121.131 120.200 0.037 0.000 2.478 390 E HA 0.006 4.356 4.350 -0.000 0.000 0.194 390 E C -0.012 176.579 176.600 -0.016 0.000 1.045 390 E CA 0.304 56.701 56.400 -0.005 0.000 0.868 390 E CB -0.214 29.470 29.700 -0.028 0.000 0.885 390 E HN 0.543 nan 8.360 nan 0.000 0.505 391 E N 2.162 122.373 120.200 0.019 0.000 2.257 391 E HA -0.036 4.314 4.350 -0.000 0.000 0.278 391 E C 0.600 177.203 176.600 0.005 0.000 1.049 391 E CA 0.067 56.484 56.400 0.027 0.000 0.876 391 E CB 1.583 31.363 29.700 0.132 0.000 1.035 391 E HN 0.356 nan 8.360 nan 0.000 0.419 392 Q N 3.232 122.985 119.800 -0.079 0.000 2.119 392 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 392 Q C 0.336 176.122 176.000 -0.358 0.000 0.972 392 Q CA 1.496 57.141 55.803 -0.263 0.000 0.847 392 Q CB 0.090 28.577 28.738 -0.418 0.000 0.903 392 Q HN 0.591 nan 8.270 nan 0.000 0.433 393 Y N -0.462 119.862 120.300 0.040 0.000 2.524 393 Y HA 0.311 4.861 4.550 -0.000 0.000 0.266 393 Y C 1.386 177.337 175.900 0.084 0.000 1.180 393 Y CA -0.203 57.927 58.100 0.051 0.000 1.244 393 Y CB 0.918 39.401 38.460 0.038 0.000 1.125 393 Y HN 0.101 nan 8.280 nan 0.000 0.524 394 S N -1.570 114.242 115.700 0.186 0.000 2.891 394 S HA 0.323 4.793 4.470 -0.000 0.000 0.247 394 S C 1.820 176.482 174.600 0.103 0.000 1.063 394 S CA 0.532 58.841 58.200 0.181 0.000 0.857 394 S CB 0.506 63.883 63.200 0.295 0.000 0.800 394 S HN 0.491 nan 8.310 nan 0.000 0.540 395 G N 0.967 109.815 108.800 0.080 0.000 2.195 395 G HA2 0.138 4.098 3.960 -0.000 0.000 0.246 395 G HA3 0.138 4.098 3.960 -0.000 0.000 0.246 395 G C 0.435 175.365 174.900 0.050 0.000 0.984 395 G CA 0.000 45.117 45.100 0.029 0.000 0.633 395 G HN 1.359 nan 8.290 nan 0.000 0.525 396 G N -2.332 106.534 108.800 0.110 0.000 2.356 396 G HA2 0.527 4.487 3.960 -0.000 0.000 0.288 396 G HA3 0.527 4.487 3.960 -0.000 0.000 0.288 396 G C -1.049 173.911 174.900 0.100 0.000 1.302 396 G CA 0.334 45.499 45.100 0.109 0.000 0.887 396 G HN 1.433 nan 8.290 nan 0.000 0.521 397 C N -1.463 117.847 119.300 0.018 0.000 3.285 397 C HA 0.611 5.071 4.460 -0.000 0.000 0.325 397 C C 0.586 175.405 174.990 -0.284 0.000 1.304 397 C CA -0.635 58.325 59.018 -0.096 0.000 1.319 397 C CB 0.902 28.526 27.740 -0.194 0.000 1.640 397 C HN 0.736 nan 8.230 nan 0.000 0.477 398 Y N 0.575 120.799 120.300 -0.127 0.000 2.490 398 Y HA 0.279 4.829 4.550 -0.000 0.000 0.285 398 Y C 1.517 177.363 175.900 -0.089 0.000 1.117 398 Y CA 0.863 58.852 58.100 -0.186 0.000 1.262 398 Y CB -0.287 38.026 38.460 -0.246 0.000 1.043 398 Y HN 0.689 nan 8.280 nan 0.000 0.553 399 T N -1.915 112.692 114.554 0.089 0.000 2.648 399 T HA 0.385 4.735 4.350 -0.000 0.000 0.304 399 T C -0.934 173.833 174.700 0.113 0.000 1.312 399 T CA -0.635 61.557 62.100 0.153 0.000 1.023 399 T CB 1.095 70.144 68.868 0.302 0.000 1.612 399 T HN -0.158 nan 8.240 nan 0.000 0.487 400 T N 2.212 116.850 114.554 0.139 0.000 2.837 400 T HA 0.622 4.972 4.350 -0.000 0.000 0.285 400 T C -1.138 173.534 174.700 -0.047 0.000 0.984 400 T CA -0.193 61.882 62.100 -0.042 0.000 1.049 400 T CB 0.055 68.887 68.868 -0.060 0.000 0.947 400 T HN 0.494 nan 8.240 nan 0.000 0.472 401 Y N 0.789 120.813 120.300 -0.460 0.000 2.549 401 Y HA 0.827 5.377 4.550 0.000 0.000 0.339 401 Y C -1.527 173.806 175.900 -0.946 0.000 1.053 401 Y CA -2.136 55.310 58.100 -1.090 0.000 1.105 401 Y CB 0.890 38.885 38.460 -0.775 0.000 1.258 401 Y HN 0.407 nan 8.280 nan 0.000 0.478 402 F N 3.122 122.358 119.950 -1.191 0.000 2.402 402 F HA 0.593 5.120 4.527 -0.000 0.000 0.355 402 F C -2.301 173.428 175.800 -0.117 0.000 1.123 402 F CA -2.672 54.978 58.000 -0.583 0.000 1.021 402 F CB 1.598 40.318 39.000 -0.467 0.000 1.160 402 F HN 0.363 nan 8.300 nan 0.000 0.451 403 P HA 0.172 nan 4.420 nan 0.000 0.275 403 P C -2.609 174.806 177.300 0.192 0.000 1.270 403 P CA -1.186 62.020 63.100 0.176 0.000 0.791 403 P CB -0.072 31.677 31.700 0.081 0.000 1.089 404 P HA 0.005 nan 4.420 nan 0.000 0.265 404 P C 0.998 178.389 177.300 0.152 0.000 1.187 404 P CA 1.364 64.564 63.100 0.166 0.000 0.766 404 P CB -0.199 31.580 31.700 0.131 0.000 0.820 405 G N 2.088 110.987 108.800 0.165 0.000 2.228 405 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.270 405 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.270 405 G C 0.908 175.925 174.900 0.194 0.000 0.976 405 G CA 0.379 45.572 45.100 0.155 0.000 0.636 405 G HN 0.403 nan 8.290 nan 0.000 0.542 406 I N 0.197 120.904 120.570 0.229 0.000 2.130 406 I HA 0.054 4.224 4.170 -0.000 0.000 0.234 406 I C 2.734 179.068 176.117 0.361 0.000 1.067 406 I CA 1.324 62.805 61.300 0.302 0.000 1.339 406 I CB -1.490 36.628 38.000 0.196 0.000 1.073 406 I HN 0.257 nan 8.210 nan 0.000 0.405 407 L N 0.828 122.271 121.223 0.367 0.000 2.034 407 L HA -0.289 4.051 4.340 -0.000 0.000 0.217 407 L C 2.682 179.651 176.870 0.165 0.000 1.077 407 L CA 2.880 57.857 54.840 0.229 0.000 0.769 407 L CB -1.210 40.900 42.059 0.085 0.000 0.890 407 L HN 0.559 nan 8.230 nan 0.000 0.435 408 T N -4.355 110.298 114.554 0.165 0.000 2.951 408 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 408 T C 1.747 176.423 174.700 -0.040 0.000 1.073 408 T CA 0.987 63.160 62.100 0.122 0.000 1.134 408 T CB -0.296 68.646 68.868 0.124 0.000 0.884 408 T HN 0.443 nan 8.240 nan 0.000 0.479 409 Q N 0.024 119.800 119.800 -0.041 0.000 2.123 409 Q HA 0.084 4.424 4.340 -0.000 0.000 0.196 409 Q C 1.137 176.830 176.000 -0.512 0.000 0.958 409 Q CA 1.215 56.835 55.803 -0.305 0.000 0.841 409 Q CB -0.076 28.433 28.738 -0.381 0.000 0.915 409 Q HN 0.758 nan 8.270 nan 0.000 0.455 410 Y N -1.109 119.125 120.300 -0.109 0.000 2.500 410 Y HA 0.277 4.827 4.550 -0.000 0.000 0.246 410 Y C 2.021 177.806 175.900 -0.192 0.000 1.146 410 Y CA 0.060 58.078 58.100 -0.137 0.000 1.230 410 Y CB 0.212 38.630 38.460 -0.070 0.000 1.214 410 Y HN 0.089 nan 8.280 nan 0.000 0.526 411 G N 0.791 109.502 108.800 -0.149 0.000 2.446 411 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 411 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 411 G C 1.672 176.148 174.900 -0.707 0.000 1.168 411 G CA 0.826 45.759 45.100 -0.279 0.000 0.771 411 G HN 0.276 nan 8.290 nan 0.000 0.551 412 R N -0.414 119.273 120.500 -1.354 0.000 2.174 412 R HA -0.102 4.238 4.340 -0.000 0.000 0.253 412 R C 2.496 178.565 176.300 -0.384 0.000 1.165 412 R CA 1.273 56.735 56.100 -1.062 0.000 0.984 412 R CB -0.465 29.329 30.300 -0.842 0.000 0.873 412 R HN 0.335 nan 8.270 nan 0.000 0.456 413 V N 1.020 120.757 119.914 -0.295 0.000 2.871 413 V HA -0.140 3.980 4.120 -0.000 0.000 0.256 413 V C 2.167 178.158 176.094 -0.171 0.000 1.082 413 V CA 1.036 63.227 62.300 -0.182 0.000 1.105 413 V CB -0.312 31.429 31.823 -0.136 0.000 0.713 413 V HN 0.326 nan 8.190 nan 0.000 0.473 414 L N 0.707 121.866 121.223 -0.107 0.000 2.043 414 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 414 L C 2.315 179.106 176.870 -0.131 0.000 1.075 414 L CA 2.190 56.983 54.840 -0.077 0.000 0.752 414 L CB -0.201 41.918 42.059 0.101 0.000 0.891 414 L HN 0.480 nan 8.230 nan 0.000 0.432 415 R N -0.988 119.529 120.500 0.028 0.000 2.596 415 R HA 0.172 4.512 4.340 -0.000 0.000 0.369 415 R C 0.377 176.810 176.300 0.221 0.000 1.042 415 R CA -0.293 55.913 56.100 0.177 0.000 1.120 415 R CB -0.041 30.433 30.300 0.291 0.000 1.353 415 R HN 0.127 nan 8.270 nan 0.000 0.564 416 Q N 2.593 122.447 119.800 0.089 0.000 2.297 416 Q HA 0.214 4.554 4.340 -0.000 0.000 0.267 416 Q C -2.162 173.943 176.000 0.175 0.000 1.006 416 Q CA -1.886 53.974 55.803 0.096 0.000 0.896 416 Q CB 0.924 29.662 28.738 -0.001 0.000 1.186 416 Q HN 0.049 nan 8.270 nan 0.000 0.392 417 P HA -0.012 nan 4.420 nan 0.000 0.271 417 P C -1.318 175.984 177.300 0.003 0.000 1.218 417 P CA -0.175 62.894 63.100 -0.052 0.000 0.780 417 P CB 0.752 32.154 31.700 -0.498 0.000 0.901 418 V N 3.315 123.251 119.914 0.036 0.000 2.257 418 V HA 0.146 4.266 4.120 -0.000 0.000 0.269 418 V C 0.688 176.745 176.094 -0.062 0.000 1.040 418 V CA 0.171 62.473 62.300 0.003 0.000 0.813 418 V CB -0.092 31.756 31.823 0.040 0.000 1.065 418 V HN 0.777 nan 8.190 nan 0.000 0.457 419 D N 4.052 124.416 120.400 -0.060 0.000 4.438 419 D HA -0.302 4.338 4.640 -0.000 0.000 0.158 419 D C 1.340 177.614 176.300 -0.043 0.000 0.686 419 D CA 2.372 56.354 54.000 -0.031 0.000 1.183 419 D CB -0.284 40.514 40.800 -0.004 0.000 0.623 419 D HN 0.562 nan 8.370 nan 0.000 0.521 420 R N -0.126 120.384 120.500 0.016 0.000 2.509 420 R HA 0.445 4.785 4.340 -0.000 0.000 0.300 420 R C -0.266 176.139 176.300 0.176 0.000 0.985 420 R CA -0.147 56.072 56.100 0.198 0.000 1.092 420 R CB 0.416 30.801 30.300 0.142 0.000 1.237 420 R HN 0.296 nan 8.270 nan 0.000 0.546 421 I N 1.316 121.834 120.570 -0.087 0.000 2.325 421 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 421 I C -0.562 175.213 176.117 -0.571 0.000 1.019 421 I CA -0.581 60.581 61.300 -0.230 0.000 1.302 421 I CB 0.525 38.360 38.000 -0.274 0.000 1.401 421 I HN -0.083 nan 8.210 nan 0.000 0.485 422 Y N 5.385 125.435 120.300 -0.417 0.000 2.487 422 Y HA 0.567 5.117 4.550 -0.000 0.000 0.337 422 Y C -0.503 175.052 175.900 -0.574 0.000 1.076 422 Y CA -0.784 57.100 58.100 -0.360 0.000 1.115 422 Y CB 1.544 39.915 38.460 -0.148 0.000 1.235 422 Y HN 0.285 nan 8.280 nan 0.000 0.468 423 F N 1.189 121.245 119.950 0.176 0.000 2.449 423 F HA 0.743 5.270 4.527 -0.000 0.000 0.342 423 F C 0.342 176.213 175.800 0.119 0.000 1.127 423 F CA -0.557 57.519 58.000 0.125 0.000 0.975 423 F CB 1.289 40.349 39.000 0.101 0.000 1.146 423 F HN 0.603 nan 8.300 nan 0.000 0.444 424 A N 2.078 125.054 122.820 0.260 0.000 3.540 424 A HA 0.982 5.303 4.320 -0.000 0.000 0.180 424 A C 0.225 177.939 177.584 0.217 0.000 1.231 424 A CA -0.505 51.647 52.037 0.191 0.000 0.873 424 A CB 0.357 19.424 19.000 0.112 0.000 1.548 424 A HN 1.556 nan 8.150 nan 0.000 0.570 425 G N -2.362 106.544 108.800 0.176 0.000 2.705 425 G HA2 0.106 4.066 3.960 -0.000 0.000 0.686 425 G HA3 0.106 4.066 3.960 -0.000 0.000 0.686 425 G C 0.466 175.495 174.900 0.215 0.000 1.285 425 G CA 0.638 45.848 45.100 0.183 0.000 0.800 425 G HN 1.621 nan 8.290 nan 0.000 0.611 426 T N -0.165 114.520 114.554 0.219 0.000 2.881 426 T HA -0.071 4.279 4.350 -0.000 0.000 0.270 426 T C 2.076 176.984 174.700 0.347 0.000 1.068 426 T CA 2.552 64.813 62.100 0.268 0.000 1.131 426 T CB -0.185 68.839 68.868 0.260 0.000 0.871 426 T HN 0.588 nan 8.240 nan 0.000 0.479 427 E N 0.558 120.962 120.200 0.340 0.000 2.333 427 E HA -0.051 4.299 4.350 -0.000 0.000 0.198 427 E C 2.123 178.980 176.600 0.427 0.000 1.007 427 E CA 1.434 58.085 56.400 0.419 0.000 0.845 427 E CB -0.142 29.761 29.700 0.340 0.000 0.766 427 E HN 0.700 nan 8.360 nan 0.000 0.507 428 T N -2.840 111.932 114.554 0.363 0.000 3.069 428 T HA 0.501 4.851 4.350 -0.000 0.000 0.252 428 T C 0.723 175.664 174.700 0.402 0.000 1.053 428 T CA -0.030 62.283 62.100 0.354 0.000 0.964 428 T CB 0.350 69.403 68.868 0.307 0.000 1.005 428 T HN 0.085 nan 8.240 nan 0.000 0.532 429 A N 1.711 124.780 122.820 0.416 0.000 2.287 429 A HA 0.596 4.916 4.320 -0.000 0.000 0.273 429 A C 1.355 179.214 177.584 0.459 0.000 1.091 429 A CA -0.066 52.217 52.037 0.410 0.000 0.817 429 A CB 0.551 19.754 19.000 0.339 0.000 1.069 429 A HN 0.448 nan 8.150 nan 0.000 0.492 430 T N -2.405 112.394 114.554 0.409 0.000 3.040 430 T HA 0.262 4.612 4.350 -0.000 0.000 0.266 430 T C 0.166 174.973 174.700 0.178 0.000 1.005 430 T CA 0.538 62.833 62.100 0.324 0.000 0.906 430 T CB -0.437 68.555 68.868 0.206 0.000 1.082 430 T HN 0.753 nan 8.240 nan 0.000 0.531 431 H N -1.095 118.000 119.070 0.042 0.000 2.934 431 H HA 0.284 4.840 4.556 -0.000 0.000 0.340 431 H C -1.003 174.318 175.328 -0.012 0.000 1.008 431 H CA -1.105 54.874 56.048 -0.115 0.000 1.317 431 H CB 0.920 30.671 29.762 -0.019 0.000 1.670 431 H HN 0.300 nan 8.280 nan 0.000 0.516 432 W N 2.076 123.153 121.300 -0.370 0.000 4.435 432 W HA -0.255 4.405 4.660 -0.000 0.000 0.351 432 W C 0.488 176.966 176.519 -0.067 0.000 1.319 432 W CA 0.914 57.991 57.345 -0.447 0.000 0.791 432 W CB -1.657 27.467 29.460 -0.560 0.000 2.419 432 W HN 0.411 nan 8.180 nan 0.000 1.406 433 S N 0.496 116.255 115.700 0.098 0.000 2.558 433 S HA 0.360 4.830 4.470 -0.000 0.000 0.291 433 S C 1.447 176.348 174.600 0.501 0.000 1.306 433 S CA 1.861 60.255 58.200 0.324 0.000 1.056 433 S CB 0.740 64.192 63.200 0.420 0.000 0.836 433 S HN 1.458 nan 8.310 nan 0.000 0.504 434 G N 2.891 112.031 108.800 0.567 0.000 2.225 434 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.254 434 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.254 434 G C -0.031 175.004 174.900 0.226 0.000 0.988 434 G CA 0.303 45.718 45.100 0.524 0.000 0.625 434 G HN 0.600 nan 8.290 nan 0.000 0.527 435 F N -0.308 119.770 119.950 0.213 0.000 2.557 435 F HA 0.737 5.264 4.527 -0.000 0.000 0.336 435 F C 1.928 177.775 175.800 0.078 0.000 1.058 435 F CA -0.946 57.123 58.000 0.115 0.000 0.988 435 F CB 0.806 39.859 39.000 0.088 0.000 1.275 435 F HN -0.091 nan 8.300 nan 0.000 0.488 436 M N -0.074 119.643 119.600 0.196 0.000 2.106 436 M HA -0.221 4.259 4.480 -0.000 0.000 0.259 436 M C 2.002 178.376 176.300 0.124 0.000 1.068 436 M CA 1.898 57.277 55.300 0.133 0.000 1.100 436 M CB -0.465 32.203 32.600 0.114 0.000 1.351 436 M HN 0.758 nan 8.290 nan 0.000 0.404 437 E N 0.727 120.980 120.200 0.089 0.000 2.065 437 E HA -0.185 4.165 4.350 -0.000 0.000 0.201 437 E C 1.942 178.619 176.600 0.127 0.000 1.016 437 E CA 2.251 58.670 56.400 0.033 0.000 0.818 437 E CB -0.762 28.832 29.700 -0.176 0.000 0.749 437 E HN 0.463 nan 8.360 nan 0.000 0.453 438 G N 0.021 108.955 108.800 0.223 0.000 2.442 438 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 438 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 438 G C 1.732 176.759 174.900 0.213 0.000 1.141 438 G CA 1.386 46.637 45.100 0.251 0.000 0.763 438 G HN 0.501 nan 8.290 nan 0.000 0.554 439 A N 0.190 123.123 122.820 0.188 0.000 1.883 439 A HA -0.000 4.320 4.320 -0.000 0.000 0.217 439 A C 2.634 180.285 177.584 0.112 0.000 1.186 439 A CA 2.137 54.262 52.037 0.147 0.000 0.624 439 A CB -0.691 18.383 19.000 0.123 0.000 0.822 439 A HN 0.304 nan 8.150 nan 0.000 0.444 440 V N -0.038 119.934 119.914 0.096 0.000 2.270 440 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 440 V C 2.504 178.644 176.094 0.076 0.000 1.043 440 V CA 2.129 64.471 62.300 0.070 0.000 1.014 440 V CB -0.908 30.948 31.823 0.054 0.000 0.645 440 V HN 0.704 nan 8.190 nan 0.000 0.447 441 E N 0.526 120.791 120.200 0.108 0.000 2.086 441 E HA -0.327 4.023 4.350 -0.000 0.000 0.205 441 E C 2.142 178.796 176.600 0.090 0.000 1.027 441 E CA 2.093 58.569 56.400 0.127 0.000 0.830 441 E CB -0.189 29.633 29.700 0.202 0.000 0.751 441 E HN 0.565 nan 8.360 nan 0.000 0.456 442 A N 0.032 122.922 122.820 0.117 0.000 2.067 442 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 442 A C 2.223 179.832 177.584 0.042 0.000 1.156 442 A CA 1.284 53.377 52.037 0.095 0.000 0.683 442 A CB -0.374 18.732 19.000 0.176 0.000 0.808 442 A HN 0.412 nan 8.150 nan 0.000 0.455 443 G N -0.345 108.481 108.800 0.042 0.000 2.395 443 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.214 443 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.214 443 G C 1.349 176.234 174.900 -0.025 0.000 1.177 443 G CA 0.720 45.831 45.100 0.018 0.000 0.794 443 G HN 0.587 nan 8.290 nan 0.000 0.532 444 E N -0.021 120.163 120.200 -0.027 0.000 2.153 444 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 444 E C 2.470 178.998 176.600 -0.119 0.000 0.988 444 E CA 0.382 56.751 56.400 -0.053 0.000 0.811 444 E CB -0.048 29.637 29.700 -0.024 0.000 0.746 444 E HN 0.311 nan 8.360 nan 0.000 0.466 445 R N 0.920 121.319 120.500 -0.169 0.000 2.062 445 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 445 R C 2.267 178.391 176.300 -0.294 0.000 1.128 445 R CA 1.195 57.087 56.100 -0.348 0.000 0.960 445 R CB -0.230 29.718 30.300 -0.586 0.000 0.855 445 R HN 0.116 nan 8.270 nan 0.000 0.432 446 A N 1.009 123.725 122.820 -0.172 0.000 1.940 446 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 446 A C 2.347 179.814 177.584 -0.195 0.000 1.176 446 A CA 1.849 53.817 52.037 -0.115 0.000 0.631 446 A CB -0.648 18.342 19.000 -0.017 0.000 0.814 446 A HN 0.560 nan 8.150 nan 0.000 0.446 447 A N -0.221 122.503 122.820 -0.161 0.000 1.873 447 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 447 A C 2.221 179.682 177.584 -0.205 0.000 1.186 447 A CA 1.415 53.354 52.037 -0.164 0.000 0.616 447 A CB -0.472 18.468 19.000 -0.099 0.000 0.823 447 A HN 0.525 nan 8.150 nan 0.000 0.442 448 R N -0.276 120.113 120.500 -0.185 0.000 2.189 448 R HA -0.092 4.248 4.340 -0.000 0.000 0.223 448 R C 1.931 178.113 176.300 -0.196 0.000 1.092 448 R CA 1.230 57.228 56.100 -0.170 0.000 0.989 448 R CB -0.224 29.983 30.300 -0.156 0.000 0.876 448 R HN 0.689 nan 8.270 nan 0.000 0.457 449 E N 0.623 120.658 120.200 -0.275 0.000 2.047 449 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 449 E C 2.010 178.316 176.600 -0.490 0.000 0.987 449 E CA 0.975 57.202 56.400 -0.288 0.000 0.799 449 E CB -0.043 29.521 29.700 -0.228 0.000 0.752 449 E HN 0.288 nan 8.360 nan 0.000 0.449 450 I N 1.217 121.336 120.570 -0.751 0.000 2.142 450 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 450 I C 2.425 178.203 176.117 -0.565 0.000 1.078 450 I CA 0.922 61.654 61.300 -0.946 0.000 1.343 450 I CB -0.217 37.272 38.000 -0.852 0.000 1.046 450 I HN 0.114 nan 8.210 nan 0.000 0.405 451 L N -0.005 121.021 121.223 -0.329 0.000 2.021 451 L HA -0.343 3.997 4.340 -0.000 0.000 0.215 451 L C 2.744 179.535 176.870 -0.131 0.000 1.074 451 L CA 2.059 56.790 54.840 -0.182 0.000 0.760 451 L CB -1.049 40.943 42.059 -0.113 0.000 0.889 451 L HN 0.401 nan 8.230 nan 0.000 0.433 452 H N -0.186 118.771 119.070 -0.188 0.000 2.353 452 H HA -0.134 4.422 4.556 0.000 0.000 0.300 452 H C 2.116 177.385 175.328 -0.100 0.000 1.090 452 H CA 1.586 57.565 56.048 -0.115 0.000 1.327 452 H CB 0.023 29.735 29.762 -0.084 0.000 1.383 452 H HN 0.302 nan 8.280 nan 0.000 0.508 453 A N 0.529 123.233 122.820 -0.193 0.000 1.978 453 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 453 A C 2.092 179.596 177.584 -0.132 0.000 1.170 453 A CA 1.781 53.720 52.037 -0.165 0.000 0.636 453 A CB -0.584 18.297 19.000 -0.197 0.000 0.810 453 A HN 0.572 nan 8.150 nan 0.000 0.448 454 M N -0.779 118.723 119.600 -0.164 0.000 2.581 454 M HA 0.196 4.676 4.480 -0.000 0.000 0.224 454 M C 1.277 177.526 176.300 -0.084 0.000 1.171 454 M CA 0.541 55.807 55.300 -0.056 0.000 0.993 454 M CB -0.014 32.567 32.600 -0.032 0.000 1.685 454 M HN 0.556 nan 8.290 nan 0.000 0.479 455 G N 1.312 110.013 108.800 -0.164 0.000 2.200 455 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.267 455 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.267 455 G C 1.016 175.866 174.900 -0.083 0.000 0.993 455 G CA 0.806 45.818 45.100 -0.147 0.000 0.701 455 G HN 0.531 nan 8.290 nan 0.000 0.524 456 K N -0.463 119.894 120.400 -0.071 0.000 2.228 456 K HA 0.213 4.532 4.320 -0.000 0.000 0.202 456 K C 1.381 177.974 176.600 -0.013 0.000 1.051 456 K CA 1.355 57.619 56.287 -0.037 0.000 0.960 456 K CB 0.176 32.653 32.500 -0.040 0.000 0.743 456 K HN 0.806 nan 8.250 nan 0.000 0.458 457 I N -1.758 118.818 120.570 0.010 0.000 2.865 457 I HA 0.422 4.592 4.170 -0.000 0.000 0.302 457 I C -2.965 173.255 176.117 0.171 0.000 1.140 457 I CA -3.067 58.270 61.300 0.063 0.000 1.021 457 I CB 2.254 40.283 38.000 0.049 0.000 1.233 457 I HN -0.272 nan 8.210 nan 0.000 0.427 458 P HA 0.125 nan 4.420 nan 0.000 0.274 458 P C 0.236 177.645 177.300 0.182 0.000 1.256 458 P CA -0.030 63.191 63.100 0.201 0.000 0.795 458 P CB 1.089 32.850 31.700 0.102 0.000 1.038 459 E N 0.633 120.870 120.200 0.061 0.000 2.077 459 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 459 E C 1.406 177.956 176.600 -0.083 0.000 0.989 459 E CA 1.649 57.886 56.400 -0.272 0.000 0.800 459 E CB -0.438 29.147 29.700 -0.193 0.000 0.746 459 E HN 0.489 nan 8.360 nan 0.000 0.452 460 D N 0.252 120.656 120.400 0.006 0.000 2.271 460 D HA -0.243 4.397 4.640 -0.000 0.000 0.207 460 D C 1.176 177.510 176.300 0.056 0.000 0.983 460 D CA 1.082 55.107 54.000 0.042 0.000 0.878 460 D CB -0.234 40.590 40.800 0.040 0.000 0.920 460 D HN 0.418 nan 8.370 nan 0.000 0.479 461 E N -0.201 120.021 120.200 0.037 0.000 2.478 461 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 461 E C 2.182 178.787 176.600 0.009 0.000 1.045 461 E CA -0.285 56.136 56.400 0.034 0.000 0.868 461 E CB 0.238 29.956 29.700 0.030 0.000 0.885 461 E HN 0.385 nan 8.360 nan 0.000 0.505 462 I N 0.060 120.618 120.570 -0.020 0.000 2.099 462 I HA -0.212 3.958 4.170 -0.000 0.000 0.239 462 I C 0.517 176.523 176.117 -0.185 0.000 1.066 462 I CA 1.203 62.426 61.300 -0.128 0.000 1.324 462 I CB -0.067 37.831 38.000 -0.170 0.000 1.037 462 I HN 0.105 nan 8.210 nan 0.000 0.401 463 W N 1.373 122.670 121.300 -0.004 0.000 2.361 463 W HA 0.527 5.187 4.660 -0.000 0.000 0.309 463 W C 0.077 176.603 176.519 0.013 0.000 1.122 463 W CA -0.184 57.171 57.345 0.016 0.000 1.208 463 W CB 0.684 30.155 29.460 0.019 0.000 1.246 463 W HN -0.011 nan 8.180 nan 0.000 0.490 464 Q N 2.117 122.049 119.800 0.220 0.000 2.347 464 Q HA 0.452 4.792 4.340 -0.000 0.000 0.271 464 Q C 0.090 176.172 176.000 0.137 0.000 1.064 464 Q CA -0.564 55.319 55.803 0.133 0.000 0.800 464 Q CB 1.967 30.750 28.738 0.075 0.000 1.304 464 Q HN 0.547 nan 8.270 nan 0.000 0.438 465 S N 1.910 117.671 115.700 0.102 0.000 2.655 465 S HA 0.488 4.957 4.470 -0.000 0.000 0.265 465 S C -0.354 174.294 174.600 0.081 0.000 1.240 465 S CA -0.543 57.712 58.200 0.092 0.000 0.986 465 S CB 1.403 64.640 63.200 0.063 0.000 0.985 465 S HN 0.636 nan 8.310 nan 0.000 0.562 466 E N 0.466 120.714 120.200 0.081 0.000 2.246 466 E HA 0.581 4.931 4.350 -0.000 0.000 0.266 466 E C -2.930 173.704 176.600 0.057 0.000 0.880 466 E CA -1.999 54.443 56.400 0.069 0.000 0.762 466 E CB 1.165 30.915 29.700 0.083 0.000 1.180 466 E HN 0.540 nan 8.360 nan 0.000 0.416 467 P HA 0.067 nan 4.420 nan 0.000 0.268 467 P C -0.875 176.445 177.300 0.034 0.000 1.205 467 P CA -0.143 62.977 63.100 0.034 0.000 0.771 467 P CB 0.502 32.218 31.700 0.027 0.000 0.858 468 E N 2.245 122.463 120.200 0.030 0.000 2.417 468 E HA 0.080 4.430 4.350 -0.000 0.000 0.261 468 E C -0.041 176.570 176.600 0.019 0.000 1.000 468 E CA -0.307 56.110 56.400 0.027 0.000 0.919 468 E CB 0.329 30.043 29.700 0.024 0.000 0.955 468 E HN 0.365 nan 8.360 nan 0.000 0.455 469 S N 2.926 118.635 115.700 0.015 0.000 2.558 469 S HA -0.063 4.407 4.470 -0.000 0.000 0.291 469 S C 1.084 175.690 174.600 0.009 0.000 1.306 469 S CA -0.045 58.161 58.200 0.010 0.000 1.056 469 S CB 0.704 63.904 63.200 0.001 0.000 0.836 469 S HN 0.573 nan 8.310 nan 0.000 0.504 470 V N 1.716 121.637 119.914 0.011 0.000 3.174 470 V HA 0.107 4.227 4.120 -0.000 0.000 0.254 470 V C 1.642 177.742 176.094 0.009 0.000 1.120 470 V CA 1.064 63.370 62.300 0.010 0.000 1.114 470 V CB -0.616 31.214 31.823 0.012 0.000 0.756 470 V HN 0.809 nan 8.190 nan 0.000 0.467 471 D N 1.610 122.016 120.400 0.010 0.000 2.137 471 D HA 0.014 4.654 4.640 -0.000 0.000 0.202 471 D C 0.789 177.088 176.300 -0.001 0.000 0.970 471 D CA 1.479 55.485 54.000 0.010 0.000 0.837 471 D CB 0.448 41.259 40.800 0.018 0.000 0.981 471 D HN 0.487 nan 8.370 nan 0.000 0.475 472 V N 3.821 123.729 119.914 -0.010 0.000 2.260 472 V HA 0.214 4.334 4.120 -0.000 0.000 0.263 472 V C -2.270 173.812 176.094 -0.021 0.000 1.036 472 V CA -1.295 60.989 62.300 -0.027 0.000 0.874 472 V CB 1.033 32.823 31.823 -0.055 0.000 1.116 472 V HN -0.014 nan 8.190 nan 0.000 0.454 473 P HA 0.489 nan 4.420 nan 0.000 0.276 473 P C -0.582 176.716 177.300 -0.004 0.000 1.252 473 P CA -0.268 62.830 63.100 -0.003 0.000 0.802 473 P CB 1.783 33.485 31.700 0.002 0.000 1.035 474 A N 1.823 124.646 122.820 0.004 0.000 2.304 474 A HA 0.378 4.698 4.320 -0.000 0.000 0.314 474 A C 0.028 177.617 177.584 0.009 0.000 1.187 474 A CA -0.569 51.472 52.037 0.007 0.000 0.810 474 A CB 0.499 19.512 19.000 0.022 0.000 1.183 474 A HN 0.397 nan 8.150 nan 0.000 0.487 475 Q N 2.233 122.036 119.800 0.006 0.000 2.392 475 Q HA 0.347 4.687 4.340 -0.000 0.000 0.262 475 Q C -2.207 173.797 176.000 0.006 0.000 1.003 475 Q CA -1.528 54.278 55.803 0.006 0.000 0.888 475 Q CB 0.210 28.952 28.738 0.006 0.000 1.260 475 Q HN 0.569 nan 8.270 nan 0.000 0.435 476 P HA 0.291 nan 4.420 nan 0.000 0.279 476 P C -0.454 176.844 177.300 -0.004 0.000 1.252 476 P CA -0.596 62.502 63.100 -0.002 0.000 0.811 476 P CB 0.831 32.528 31.700 -0.005 0.000 1.035 477 I N 1.724 122.286 120.570 -0.013 0.000 2.416 477 I HA 0.206 4.376 4.170 -0.000 0.000 0.288 477 I C 0.948 177.054 176.117 -0.017 0.000 1.051 477 I CA 0.190 61.480 61.300 -0.016 0.000 1.375 477 I CB 0.096 38.078 38.000 -0.029 0.000 1.407 477 I HN 0.426 nan 8.210 nan 0.000 0.516 478 T N 1.604 116.152 114.554 -0.010 0.000 2.863 478 T HA 0.703 5.053 4.350 -0.000 0.000 0.285 478 T C -0.079 174.613 174.700 -0.015 0.000 1.009 478 T CA -0.764 61.332 62.100 -0.007 0.000 0.989 478 T CB 1.903 70.775 68.868 0.006 0.000 1.004 478 T HN 0.655 nan 8.240 nan 0.000 0.455 479 T N -0.552 113.992 114.554 -0.016 0.000 2.829 479 T HA 0.628 4.978 4.350 -0.000 0.000 0.280 479 T C 0.583 175.291 174.700 0.013 0.000 0.999 479 T CA -0.622 61.462 62.100 -0.026 0.000 0.983 479 T CB 1.119 69.949 68.868 -0.064 0.000 0.968 479 T HN 1.026 nan 8.240 nan 0.000 0.446 480 T N 1.034 115.602 114.554 0.023 0.000 2.802 480 T HA 0.185 4.535 4.350 -0.000 0.000 0.305 480 T C 0.815 175.591 174.700 0.128 0.000 1.053 480 T CA -0.558 61.591 62.100 0.082 0.000 1.058 480 T CB 0.167 69.082 68.868 0.078 0.000 0.988 480 T HN 0.566 nan 8.240 nan 0.000 0.539 481 F N 1.235 121.219 119.950 0.056 0.000 2.186 481 F HA 0.104 4.631 4.527 0.000 0.000 0.299 481 F C 1.741 177.635 175.800 0.157 0.000 1.090 481 F CA 1.059 59.133 58.000 0.124 0.000 1.307 481 F CB -0.456 38.607 39.000 0.104 0.000 1.019 481 F HN 0.487 nan 8.300 nan 0.000 0.489 482 L N 0.354 121.640 121.223 0.106 0.000 2.044 482 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 482 L C 2.325 179.171 176.870 -0.039 0.000 1.075 482 L CA 1.645 56.498 54.840 0.022 0.000 0.747 482 L CB -1.101 41.024 42.059 0.110 0.000 0.903 482 L HN 0.040 nan 8.230 nan 0.000 0.435 483 E N -0.140 120.051 120.200 -0.014 0.000 2.108 483 E HA -0.333 4.017 4.350 -0.000 0.000 0.203 483 E C 2.365 178.867 176.600 -0.164 0.000 1.022 483 E CA 1.717 58.075 56.400 -0.070 0.000 0.823 483 E CB -0.202 29.451 29.700 -0.077 0.000 0.744 483 E HN 0.283 nan 8.360 nan 0.000 0.456 484 R N -0.689 119.666 120.500 -0.241 0.000 2.189 484 R HA -0.106 4.234 4.340 -0.000 0.000 0.223 484 R C 1.547 177.477 176.300 -0.617 0.000 1.092 484 R CA 1.134 56.977 56.100 -0.429 0.000 0.989 484 R CB 0.173 30.168 30.300 -0.508 0.000 0.876 484 R HN 0.318 nan 8.270 nan 0.000 0.457 485 H N -1.415 117.468 119.070 -0.312 0.000 3.205 485 H HA 0.158 4.714 4.556 0.000 0.000 0.252 485 H C 0.232 175.438 175.328 -0.202 0.000 1.015 485 H CA -0.238 55.614 56.048 -0.327 0.000 1.192 485 H CB 0.404 29.799 29.762 -0.612 0.000 1.474 485 H HN 0.036 nan 8.280 nan 0.000 0.484 486 L N 4.358 125.550 121.223 -0.051 0.000 2.543 486 L HA -0.004 4.336 4.340 -0.000 0.000 0.285 486 L C -1.610 175.234 176.870 -0.043 0.000 1.236 486 L CA -1.128 53.701 54.840 -0.017 0.000 0.871 486 L CB 0.122 42.200 42.059 0.033 0.000 1.121 486 L HN 0.043 nan 8.230 nan 0.000 0.501 487 P HA 0.130 nan 4.420 nan 0.000 0.274 487 P C -0.795 176.449 177.300 -0.093 0.000 1.256 487 P CA -0.602 62.458 63.100 -0.067 0.000 0.795 487 P CB 0.855 32.516 31.700 -0.065 0.000 1.038 488 S N -0.553 115.070 115.700 -0.129 0.000 2.655 488 S HA 0.169 4.639 4.470 -0.000 0.000 0.265 488 S C 1.541 175.993 174.600 -0.246 0.000 1.240 488 S CA -0.731 57.366 58.200 -0.171 0.000 0.986 488 S CB -0.108 62.983 63.200 -0.180 0.000 0.985 488 S HN 0.212 nan 8.310 nan 0.000 0.562 489 V N 2.362 122.080 119.914 -0.327 0.000 2.252 489 V HA -0.111 4.009 4.120 -0.000 0.000 0.249 489 V C -0.463 175.225 176.094 -0.676 0.000 1.056 489 V CA 2.146 64.177 62.300 -0.448 0.000 1.022 489 V CB -1.851 29.742 31.823 -0.385 0.000 0.641 489 V HN 0.820 nan 8.190 nan 0.000 0.445 490 P HA -0.055 nan 4.420 nan 0.000 0.226 490 P C 1.610 178.690 177.300 -0.366 0.000 1.153 490 P CA 1.767 64.387 63.100 -0.800 0.000 0.777 490 P CB -0.203 31.075 31.700 -0.703 0.000 0.794 491 G N 0.506 109.135 108.800 -0.284 0.000 2.403 491 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 491 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 491 G C 1.440 176.257 174.900 -0.138 0.000 1.154 491 G CA 0.257 45.258 45.100 -0.164 0.000 0.784 491 G HN 0.249 nan 8.290 nan 0.000 0.538 492 L N 0.269 121.395 121.223 -0.162 0.000 2.109 492 L HA 0.246 4.586 4.340 -0.000 0.000 0.207 492 L C 2.602 179.404 176.870 -0.113 0.000 1.086 492 L CA 1.055 55.825 54.840 -0.116 0.000 0.760 492 L CB -0.195 41.801 42.059 -0.106 0.000 0.910 492 L HN 0.156 nan 8.230 nan 0.000 0.437 493 L N -0.856 120.268 121.223 -0.164 0.000 2.017 493 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 493 L C 2.763 179.585 176.870 -0.081 0.000 1.073 493 L CA 1.265 56.032 54.840 -0.123 0.000 0.745 493 L CB -0.600 41.360 42.059 -0.165 0.000 0.894 493 L HN 0.187 nan 8.230 nan 0.000 0.432 494 R N -0.322 120.124 120.500 -0.091 0.000 2.139 494 R HA -0.195 4.145 4.340 -0.000 0.000 0.243 494 R C 2.185 178.461 176.300 -0.041 0.000 1.145 494 R CA 1.270 57.337 56.100 -0.054 0.000 0.976 494 R CB -0.350 29.917 30.300 -0.054 0.000 0.866 494 R HN 0.213 nan 8.270 nan 0.000 0.449 495 L N 0.290 121.484 121.223 -0.048 0.000 2.131 495 L HA -0.048 4.292 4.340 -0.000 0.000 0.206 495 L C 2.037 178.892 176.870 -0.026 0.000 1.087 495 L CA 1.318 56.138 54.840 -0.034 0.000 0.767 495 L CB -0.108 41.929 42.059 -0.036 0.000 0.917 495 L HN 0.105 nan 8.230 nan 0.000 0.441 496 I N -1.223 119.329 120.570 -0.030 0.000 2.252 496 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 496 I C 2.413 178.522 176.117 -0.013 0.000 1.102 496 I CA 1.274 62.563 61.300 -0.019 0.000 1.385 496 I CB -0.904 37.084 38.000 -0.021 0.000 1.064 496 I HN 0.336 nan 8.210 nan 0.000 0.414 497 G N 0.861 109.651 108.800 -0.016 0.000 2.422 497 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 497 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 497 G C 1.687 176.583 174.900 -0.006 0.000 1.146 497 G CA 0.409 45.505 45.100 -0.008 0.000 0.769 497 G HN 0.244 nan 8.290 nan 0.000 0.547 498 L N 0.635 121.852 121.223 -0.009 0.000 2.201 498 L HA 0.071 4.411 4.340 -0.000 0.000 0.212 498 L C 2.249 179.116 176.870 -0.005 0.000 1.105 498 L CA 1.482 56.318 54.840 -0.007 0.000 0.775 498 L CB 0.089 42.142 42.059 -0.009 0.000 0.913 498 L HN 0.121 nan 8.230 nan 0.000 0.440 499 T N -2.400 112.151 114.554 -0.006 0.000 3.163 499 T HA 0.076 4.426 4.350 -0.000 0.000 0.252 499 T C 1.193 175.892 174.700 -0.002 0.000 1.056 499 T CA 0.764 62.862 62.100 -0.004 0.000 0.947 499 T CB -0.159 68.707 68.868 -0.005 0.000 1.016 499 T HN 0.582 nan 8.240 nan 0.000 0.554 500 T N -1.582 112.972 114.554 -0.001 0.000 3.409 500 T HA 0.488 4.838 4.350 -0.000 0.000 0.242 500 T C 1.339 176.040 174.700 0.002 0.000 1.000 500 T CA 0.348 62.449 62.100 0.001 0.000 1.180 500 T CB -0.737 68.132 68.868 0.002 0.000 1.210 500 T HN 0.217 nan 8.240 nan 0.000 0.373 501 I N 0.000 120.571 120.570 0.002 0.000 2.984 501 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 501 I CA 0.000 61.302 61.300 0.003 0.000 1.566 501 I CB 0.000 38.003 38.000 0.005 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494