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 1gos_1_B DATA FIRST_RESID 4 DATA SEQUENCE KCDVVVVGGG ISGMAAAKLL HDSGLNVVVL EARDRVGGRT YTLRNQKVKY DATA SEQUENCE VDLGGSYVGP TQNRILRLAK ELGLETYKVN EVERLIHHVK GKSYPFRGPF DATA SEQUENCE PPVWNPITYL DHNNFWRTMD DMGREIPSDA PWKAPLAEEW DNMTMKELLD DATA SEQUENCE KLCWTESAKQ LATLFVNLCV TAETHEVSAL WFLWYVKQCG GTTRIISTTN DATA SEQUENCE GGQERKFVGG SGQVSERIMD LLGDRVKLER PVIYIDQTRE NVLVETLNHE DATA SEQUENCE MYEAKYVISA IPPTLGMKIH FNPPLPMMRN QMITRVPLGS VIKCIVYYKE DATA SEQUENCE PFWRKKDYCG TMIIDGEEAP VAYTLDDTKP EGNYAAIMGF ILAHKARKLA DATA SEQUENCE RLTKEERLKK LCELYAKVLG SLEALEPVHY EEKNWCEEQY SGGCYTTYFP DATA SEQUENCE PGILTQYGRV LRQPVDRIYF AGTETATHWS GYMEGAVEAG ERAAREILHA DATA SEQUENCE MGKIPEDEIW QSEPESVDVP AQPITTTFLE RHLPSVPGLL RLI 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.636 176.600 0.059 0.000 0.988 4 K CA 0.000 56.297 56.287 0.017 0.000 0.838 4 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 5 C N -0.986 118.361 119.300 0.078 0.000 3.086 5 C HA 0.527 4.987 4.460 -0.000 0.000 0.362 5 C C 0.438 175.465 174.990 0.061 0.000 3.632 5 C CA -0.072 58.989 59.018 0.072 0.000 1.245 5 C CB 0.270 28.069 27.740 0.097 0.000 4.058 5 C HN 0.905 nan 8.230 nan 0.000 0.423 6 D N 0.063 120.505 120.400 0.069 0.000 2.232 6 D HA 0.307 4.947 4.640 -0.000 0.000 0.220 6 D C -0.120 176.245 176.300 0.107 0.000 0.982 6 D CA 1.429 55.475 54.000 0.076 0.000 0.892 6 D CB 0.393 41.237 40.800 0.073 0.000 1.040 6 D HN 0.425 nan 8.370 nan 0.000 0.463 7 V N 0.892 120.868 119.914 0.104 0.000 2.668 7 V HA 0.312 4.432 4.120 -0.000 0.000 0.304 7 V C -0.646 175.495 176.094 0.077 0.000 1.071 7 V CA -0.756 61.615 62.300 0.117 0.000 0.894 7 V CB 2.497 34.383 31.823 0.105 0.000 1.008 7 V HN -0.198 nan 8.190 nan 0.000 0.425 8 V N 5.797 125.752 119.914 0.069 0.000 2.472 8 V HA 0.518 4.638 4.120 -0.000 0.000 0.290 8 V C -0.202 175.901 176.094 0.015 0.000 1.037 8 V CA -0.398 61.915 62.300 0.023 0.000 0.908 8 V CB 2.080 33.906 31.823 0.006 0.000 0.985 8 V HN 0.591 nan 8.190 nan 0.000 0.454 9 V N 5.900 125.808 119.914 -0.010 0.000 2.459 9 V HA 0.275 4.394 4.120 -0.000 0.000 0.295 9 V C 0.700 176.784 176.094 -0.017 0.000 1.029 9 V CA -0.034 62.266 62.300 0.000 0.000 0.874 9 V CB 1.966 33.790 31.823 0.001 0.000 0.985 9 V HN 0.691 nan 8.190 nan 0.000 0.438 10 V N 4.022 123.942 119.914 0.010 0.000 2.878 10 V HA 0.177 4.297 4.120 -0.000 0.000 0.250 10 V C 1.273 177.378 176.094 0.019 0.000 1.075 10 V CA 1.394 63.698 62.300 0.008 0.000 1.096 10 V CB 0.098 31.940 31.823 0.032 0.000 0.724 10 V HN 0.880 nan 8.190 nan 0.000 0.467 11 G N -0.907 107.918 108.800 0.043 0.000 2.367 11 G HA2 0.469 4.429 3.960 -0.000 0.000 0.314 11 G HA3 0.469 4.429 3.960 -0.000 0.000 0.314 11 G C 0.846 175.758 174.900 0.020 0.000 1.130 11 G CA 0.234 45.358 45.100 0.041 0.000 0.864 11 G HN 0.287 nan 8.290 nan 0.000 0.486 12 G N 0.418 109.224 108.800 0.010 0.000 2.920 12 G HA2 0.377 4.337 3.960 -0.000 0.000 0.208 12 G HA3 0.377 4.337 3.960 -0.000 0.000 0.208 12 G C 0.836 175.749 174.900 0.022 0.000 1.159 12 G CA 0.623 45.724 45.100 0.002 0.000 0.784 12 G HN 0.893 nan 8.290 nan 0.000 0.535 13 G N -0.260 108.567 108.800 0.044 0.000 2.531 13 G HA2 0.406 4.366 3.960 -0.000 0.000 0.281 13 G HA3 0.406 4.366 3.960 -0.000 0.000 0.281 13 G C 1.065 175.994 174.900 0.048 0.000 1.382 13 G CA -0.709 44.425 45.100 0.057 0.000 1.045 13 G HN 0.036 nan 8.290 nan 0.000 0.533 14 I N -0.397 120.205 120.570 0.054 0.000 2.118 14 I HA -0.254 3.916 4.170 -0.000 0.000 0.241 14 I C 3.061 179.204 176.117 0.043 0.000 1.070 14 I CA 1.943 63.267 61.300 0.041 0.000 1.327 14 I CB -0.169 37.859 38.000 0.048 0.000 1.034 14 I HN 0.491 nan 8.210 nan 0.000 0.405 15 S N 0.491 116.230 115.700 0.065 0.000 2.383 15 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 15 S C 1.984 176.615 174.600 0.053 0.000 1.030 15 S CA 1.648 59.889 58.200 0.069 0.000 1.002 15 S CB -0.700 62.560 63.200 0.100 0.000 0.829 15 S HN 0.598 nan 8.310 nan 0.000 0.467 16 G N 2.188 111.018 108.800 0.050 0.000 2.524 16 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.215 16 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.215 16 G C 1.502 176.409 174.900 0.012 0.000 1.239 16 G CA 1.263 46.383 45.100 0.034 0.000 0.798 16 G HN 0.449 nan 8.290 nan 0.000 0.557 17 M N 1.318 120.920 119.600 0.003 0.000 2.088 17 M HA -0.178 4.302 4.480 -0.000 0.000 0.256 17 M C 3.024 179.315 176.300 -0.015 0.000 1.071 17 M CA 1.848 57.139 55.300 -0.016 0.000 1.097 17 M CB -1.637 30.951 32.600 -0.020 0.000 1.315 17 M HN 0.331 nan 8.290 nan 0.000 0.406 18 A N 0.496 123.313 122.820 -0.004 0.000 1.903 18 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 18 A C 2.515 180.096 177.584 -0.005 0.000 1.191 18 A CA 2.996 55.031 52.037 -0.004 0.000 0.638 18 A CB -1.118 17.887 19.000 0.009 0.000 0.823 18 A HN 0.568 nan 8.150 nan 0.000 0.451 19 A N -0.520 122.300 122.820 0.000 0.000 1.873 19 A HA 0.221 4.541 4.320 -0.000 0.000 0.215 19 A C 2.568 180.148 177.584 -0.006 0.000 1.186 19 A CA 2.168 54.201 52.037 -0.007 0.000 0.616 19 A CB -1.241 17.757 19.000 -0.003 0.000 0.823 19 A HN 1.226 nan 8.150 nan 0.000 0.442 20 A N 0.119 122.935 122.820 -0.006 0.000 1.884 20 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 20 A C 2.145 179.731 177.584 0.004 0.000 1.197 20 A CA 2.536 54.569 52.037 -0.006 0.000 0.637 20 A CB -0.697 18.289 19.000 -0.025 0.000 0.827 20 A HN 0.591 nan 8.150 nan 0.000 0.450 21 K N -0.937 119.451 120.400 -0.020 0.000 1.987 21 K HA -0.208 4.112 4.320 -0.000 0.000 0.216 21 K C 1.977 178.608 176.600 0.052 0.000 1.051 21 K CA 1.777 58.062 56.287 -0.004 0.000 0.942 21 K CB -0.429 32.055 32.500 -0.026 0.000 0.722 21 K HN 0.322 nan 8.250 nan 0.000 0.444 22 L N 1.962 123.197 121.223 0.020 0.000 2.010 22 L HA -0.251 4.089 4.340 -0.000 0.000 0.219 22 L C 1.978 178.862 176.870 0.025 0.000 1.077 22 L CA 1.759 56.608 54.840 0.014 0.000 0.773 22 L CB -1.007 41.043 42.059 -0.014 0.000 0.892 22 L HN 0.372 nan 8.230 nan 0.000 0.436 23 L N -1.140 120.097 121.223 0.023 0.000 1.970 23 L HA -0.314 4.026 4.340 -0.000 0.000 0.212 23 L C 2.665 179.571 176.870 0.061 0.000 1.071 23 L CA 1.992 56.845 54.840 0.021 0.000 0.751 23 L CB -0.833 41.238 42.059 0.019 0.000 0.889 23 L HN 0.550 nan 8.230 nan 0.000 0.432 24 H N -0.153 118.907 119.070 -0.017 0.000 2.352 24 H HA -0.218 4.338 4.556 -0.000 0.000 0.299 24 H C 1.728 177.050 175.328 -0.010 0.000 1.097 24 H CA 1.962 58.005 56.048 -0.010 0.000 1.311 24 H CB 0.008 29.766 29.762 -0.007 0.000 1.377 24 H HN 0.250 nan 8.280 nan 0.000 0.504 25 D N -0.422 120.079 120.400 0.169 0.000 2.357 25 D HA -0.117 4.523 4.640 -0.000 0.000 0.216 25 D C 1.390 177.666 176.300 -0.039 0.000 0.973 25 D CA 1.029 55.062 54.000 0.054 0.000 0.912 25 D CB -0.190 40.652 40.800 0.070 0.000 0.900 25 D HN 0.279 nan 8.370 nan 0.000 0.501 26 S N -1.922 113.753 115.700 -0.042 0.000 2.568 26 S HA 0.371 4.841 4.470 -0.000 0.000 0.232 26 S C 1.373 175.935 174.600 -0.065 0.000 0.975 26 S CA 0.511 58.684 58.200 -0.046 0.000 0.949 26 S CB 0.301 63.483 63.200 -0.029 0.000 0.829 26 S HN 0.382 nan 8.310 nan 0.000 0.479 27 G N 0.967 109.698 108.800 -0.114 0.000 2.241 27 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 27 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 27 G C 0.084 174.941 174.900 -0.072 0.000 0.998 27 G CA 0.049 45.086 45.100 -0.105 0.000 0.621 27 G HN 0.452 nan 8.290 nan 0.000 0.519 28 L N 0.989 122.187 121.223 -0.040 0.000 2.452 28 L HA 0.317 4.657 4.340 -0.000 0.000 0.267 28 L C 0.188 177.071 176.870 0.022 0.000 1.188 28 L CA -0.651 54.189 54.840 0.000 0.000 0.821 28 L CB 0.367 42.434 42.059 0.013 0.000 1.102 28 L HN 0.065 nan 8.230 nan 0.000 0.470 29 N N 1.650 120.374 118.700 0.040 0.000 2.469 29 N HA 0.239 4.979 4.740 -0.000 0.000 0.239 29 N C -0.572 174.985 175.510 0.079 0.000 1.053 29 N CA -0.040 53.047 53.050 0.062 0.000 0.937 29 N CB 1.297 39.816 38.487 0.053 0.000 1.163 29 N HN 0.185 nan 8.380 nan 0.000 0.509 30 V N 2.021 121.994 119.914 0.098 0.000 2.966 30 V HA 0.556 4.676 4.120 -0.000 0.000 0.317 30 V C 0.081 176.213 176.094 0.064 0.000 1.070 30 V CA -0.634 61.712 62.300 0.078 0.000 1.008 30 V CB 2.414 34.284 31.823 0.078 0.000 1.070 30 V HN 0.200 nan 8.190 nan 0.000 0.457 31 V N 2.227 122.163 119.914 0.037 0.000 2.817 31 V HA 0.396 4.516 4.120 -0.000 0.000 0.303 31 V C -0.986 175.082 176.094 -0.044 0.000 1.151 31 V CA -0.478 61.828 62.300 0.010 0.000 0.929 31 V CB 2.467 34.310 31.823 0.034 0.000 1.030 31 V HN 0.539 nan 8.190 nan 0.000 0.427 32 V N 6.323 126.201 119.914 -0.059 0.000 2.347 32 V HA 0.463 4.583 4.120 -0.000 0.000 0.280 32 V C -0.145 175.879 176.094 -0.116 0.000 1.021 32 V CA -0.456 61.801 62.300 -0.073 0.000 0.847 32 V CB 1.531 33.324 31.823 -0.050 0.000 0.990 32 V HN 0.610 nan 8.190 nan 0.000 0.444 33 L N 4.915 126.047 121.223 -0.152 0.000 2.261 33 L HA 0.586 4.926 4.340 -0.000 0.000 0.289 33 L C -0.034 176.760 176.870 -0.126 0.000 1.059 33 L CA -0.140 54.582 54.840 -0.197 0.000 0.816 33 L CB 1.173 43.074 42.059 -0.262 0.000 1.191 33 L HN 0.691 nan 8.230 nan 0.000 0.431 34 E N 2.630 122.760 120.200 -0.117 0.000 2.248 34 E HA 0.534 4.884 4.350 -0.000 0.000 0.267 34 E C -0.121 176.392 176.600 -0.145 0.000 0.877 34 E CA -0.411 55.925 56.400 -0.106 0.000 0.759 34 E CB 2.111 31.767 29.700 -0.073 0.000 1.182 34 E HN 0.510 nan 8.360 nan 0.000 0.418 35 A N 4.885 127.576 122.820 -0.214 0.000 2.081 35 A HA 0.151 4.471 4.320 -0.000 0.000 0.214 35 A C 0.663 178.044 177.584 -0.338 0.000 1.158 35 A CA 0.551 52.374 52.037 -0.356 0.000 0.724 35 A CB -0.199 18.399 19.000 -0.670 0.000 0.826 35 A HN 0.616 nan 8.150 nan 0.000 0.463 36 R N -0.380 119.980 120.500 -0.232 0.000 2.893 36 R HA 0.462 4.802 4.340 -0.000 0.000 0.245 36 R C -0.306 175.940 176.300 -0.091 0.000 1.192 36 R CA -0.128 55.881 56.100 -0.151 0.000 1.077 36 R CB 0.271 30.503 30.300 -0.114 0.000 1.253 36 R HN 0.055 nan 8.270 nan 0.000 0.505 37 D N 0.004 120.365 120.400 -0.065 0.000 2.269 37 D HA -0.109 4.531 4.640 -0.000 0.000 0.208 37 D C 0.443 176.724 176.300 -0.031 0.000 0.963 37 D CA 0.856 54.831 54.000 -0.041 0.000 0.864 37 D CB -0.135 40.649 40.800 -0.027 0.000 0.936 37 D HN 0.491 nan 8.370 nan 0.000 0.505 38 R N -0.577 119.899 120.500 -0.040 0.000 2.523 38 R HA 0.597 4.937 4.340 -0.000 0.000 0.229 38 R C 0.338 176.636 176.300 -0.003 0.000 1.265 38 R CA -0.873 55.220 56.100 -0.010 0.000 1.081 38 R CB 0.539 30.827 30.300 -0.019 0.000 1.540 38 R HN -0.073 nan 8.270 nan 0.000 0.560 39 V N -1.123 118.809 119.914 0.029 0.000 3.443 39 V HA 0.214 4.334 4.120 -0.000 0.000 0.277 39 V C 0.461 176.587 176.094 0.053 0.000 1.648 39 V CA 0.504 62.818 62.300 0.024 0.000 1.058 39 V CB 0.905 32.734 31.823 0.010 0.000 0.877 39 V HN 0.900 nan 8.190 nan 0.000 0.417 40 G N -0.081 108.776 108.800 0.095 0.000 2.636 40 G HA2 0.438 4.398 3.960 -0.000 0.000 0.246 40 G HA3 0.438 4.398 3.960 -0.000 0.000 0.246 40 G C 0.831 175.813 174.900 0.136 0.000 1.216 40 G CA 0.490 45.665 45.100 0.125 0.000 0.854 40 G HN 0.485 nan 8.290 nan 0.000 0.572 41 G N -0.350 108.528 108.800 0.130 0.000 3.048 41 G HA2 0.083 4.043 3.960 -0.000 0.000 0.151 41 G HA3 0.083 4.043 3.960 -0.000 0.000 0.151 41 G C 0.804 175.812 174.900 0.180 0.000 1.803 41 G CA -0.592 44.585 45.100 0.128 0.000 1.047 41 G HN 0.534 nan 8.290 nan 0.000 0.513 42 R N 0.262 120.815 120.500 0.089 0.000 4.624 42 R HA 0.253 4.593 4.340 -0.000 0.000 0.214 42 R C -0.468 175.776 176.300 -0.093 0.000 2.026 42 R CA 0.171 56.205 56.100 -0.110 0.000 1.676 42 R CB -0.424 29.712 30.300 -0.272 0.000 1.291 42 R HN 0.170 nan 8.270 nan 0.000 0.739 43 T N 0.331 114.995 114.554 0.182 0.000 3.011 43 T HA 0.347 4.696 4.350 -0.000 0.000 0.303 43 T C -2.114 172.810 174.700 0.374 0.000 0.997 43 T CA -0.523 61.698 62.100 0.201 0.000 1.007 43 T CB 0.755 69.700 68.868 0.128 0.000 1.017 43 T HN 0.225 nan 8.240 nan 0.000 0.443 44 Y N 2.457 122.888 120.300 0.218 0.000 2.424 44 Y HA 0.504 5.054 4.550 -0.000 0.000 0.323 44 Y C -1.364 174.639 175.900 0.173 0.000 1.174 44 Y CA -0.822 57.405 58.100 0.212 0.000 1.060 44 Y CB 1.622 40.267 38.460 0.307 0.000 1.314 44 Y HN 0.502 nan 8.280 nan 0.000 0.439 45 T N 7.827 122.216 114.554 -0.275 0.000 2.833 45 T HA 0.416 4.766 4.350 -0.000 0.000 0.297 45 T C -0.980 173.449 174.700 -0.452 0.000 1.015 45 T CA -0.428 61.501 62.100 -0.285 0.000 0.963 45 T CB 0.691 69.526 68.868 -0.055 0.000 0.955 45 T HN 0.583 nan 8.240 nan 0.000 0.449 46 L N 4.082 125.027 121.223 -0.463 0.000 2.418 46 L HA 0.612 4.952 4.340 -0.000 0.000 0.265 46 L C 0.011 176.824 176.870 -0.095 0.000 1.143 46 L CA 0.177 54.832 54.840 -0.308 0.000 0.809 46 L CB 0.412 42.353 42.059 -0.195 0.000 1.124 46 L HN 0.565 nan 8.230 nan 0.000 0.456 47 R N 2.873 123.348 120.500 -0.040 0.000 2.564 47 R HA 0.602 4.942 4.340 -0.000 0.000 0.284 47 R C -1.552 174.748 176.300 -0.001 0.000 1.031 47 R CA -0.841 55.260 56.100 0.000 0.000 0.904 47 R CB 1.728 32.034 30.300 0.010 0.000 1.199 47 R HN 0.883 nan 8.270 nan 0.000 0.443 48 N N -0.242 118.450 118.700 -0.012 0.000 4.107 48 N HA -0.101 4.639 4.740 -0.000 0.000 0.213 48 N C 0.068 175.553 175.510 -0.041 0.000 1.216 48 N CA -0.815 52.225 53.050 -0.018 0.000 0.925 48 N CB 0.768 39.250 38.487 -0.009 0.000 1.541 48 N HN 0.564 nan 8.380 nan 0.000 0.524 49 Q N 0.853 120.630 119.800 -0.038 0.000 2.112 49 Q HA -0.141 4.199 4.340 -0.000 0.000 0.206 49 Q C 0.690 176.670 176.000 -0.033 0.000 0.987 49 Q CA 1.174 56.962 55.803 -0.026 0.000 0.858 49 Q CB -0.125 28.597 28.738 -0.027 0.000 0.905 49 Q HN 0.562 nan 8.270 nan 0.000 0.420 50 K N 0.055 120.377 120.400 -0.131 0.000 2.103 50 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 50 K C 1.914 178.426 176.600 -0.146 0.000 1.048 50 K CA 1.484 57.635 56.287 -0.226 0.000 0.930 50 K CB 0.032 32.147 32.500 -0.642 0.000 0.716 50 K HN 0.239 nan 8.250 nan 0.000 0.444 51 V N -0.196 119.601 119.914 -0.194 0.000 3.523 51 V HA 0.005 4.125 4.120 -0.000 0.000 0.255 51 V C 1.404 177.162 176.094 -0.560 0.000 1.226 51 V CA 0.456 62.527 62.300 -0.381 0.000 1.092 51 V CB 0.100 31.787 31.823 -0.226 0.000 0.817 51 V HN 0.351 nan 8.190 nan 0.000 0.458 52 K N 0.177 120.392 120.400 -0.308 0.000 10.392 52 K HA -0.294 4.026 4.320 -0.000 0.000 0.519 52 K C 0.032 176.603 176.600 -0.048 0.000 0.376 52 K CA 2.391 58.540 56.287 -0.230 0.000 1.951 52 K CB -0.946 31.272 32.500 -0.469 0.000 0.744 52 K HN 0.628 nan 8.250 nan 0.000 1.160 53 Y N -1.472 118.684 120.300 -0.241 0.000 2.552 53 Y HA 0.603 5.153 4.550 -0.000 0.000 0.337 53 Y C -1.154 174.693 175.900 -0.087 0.000 1.094 53 Y CA -0.828 57.189 58.100 -0.138 0.000 1.028 53 Y CB 1.772 40.168 38.460 -0.106 0.000 1.321 53 Y HN 0.010 nan 8.280 nan 0.000 0.456 54 V N -0.334 119.608 119.914 0.046 0.000 2.777 54 V HA 0.410 4.530 4.120 -0.000 0.000 0.306 54 V C -1.276 174.838 176.094 0.034 0.000 1.112 54 V CA -1.009 61.312 62.300 0.035 0.000 0.917 54 V CB 1.862 33.718 31.823 0.055 0.000 1.018 54 V HN 0.808 nan 8.190 nan 0.000 0.426 55 D N 3.376 123.811 120.400 0.059 0.000 2.358 55 D HA 0.331 4.971 4.640 -0.000 0.000 0.258 55 D C 0.849 177.198 176.300 0.080 0.000 1.223 55 D CA 0.174 54.204 54.000 0.051 0.000 0.886 55 D CB 2.039 42.860 40.800 0.035 0.000 1.120 55 D HN 0.573 nan 8.370 nan 0.000 0.482 56 L N 1.602 122.901 121.223 0.127 0.000 2.585 56 L HA 0.170 4.510 4.340 -0.000 0.000 0.226 56 L C 1.625 178.836 176.870 0.568 0.000 1.113 56 L CA 0.092 55.103 54.840 0.285 0.000 0.876 56 L CB 0.297 42.515 42.059 0.265 0.000 1.072 56 L HN 0.346 nan 8.230 nan 0.000 0.468 57 G N -0.494 108.586 108.800 0.467 0.000 3.374 57 G HA2 0.400 4.360 3.960 -0.000 0.000 0.200 57 G HA3 0.400 4.360 3.960 -0.000 0.000 0.200 57 G C -0.028 174.916 174.900 0.074 0.000 1.801 57 G CA 0.236 45.518 45.100 0.303 0.000 0.842 57 G HN 0.176 nan 8.290 nan 0.000 0.688 58 G N -0.845 107.956 108.800 0.002 0.000 2.379 58 G HA2 0.440 4.400 3.960 -0.000 0.000 0.327 58 G HA3 0.440 4.400 3.960 -0.000 0.000 0.327 58 G C -0.025 174.855 174.900 -0.035 0.000 1.145 58 G CA 0.595 45.672 45.100 -0.038 0.000 0.905 58 G HN 0.547 nan 8.290 nan 0.000 0.466 59 S N 0.886 116.506 115.700 -0.133 0.000 2.818 59 S HA 0.238 4.708 4.470 -0.000 0.000 0.251 59 S C 0.355 174.717 174.600 -0.397 0.000 1.083 59 S CA -0.268 57.767 58.200 -0.275 0.000 0.871 59 S CB -0.125 62.852 63.200 -0.372 0.000 0.831 59 S HN 0.498 nan 8.310 nan 0.000 0.470 60 Y N 1.311 121.544 120.300 -0.112 0.000 2.394 60 Y HA 0.476 5.026 4.550 -0.000 0.000 0.351 60 Y C 0.357 176.114 175.900 -0.238 0.000 1.272 60 Y CA 0.198 58.192 58.100 -0.177 0.000 1.508 60 Y CB 0.351 38.743 38.460 -0.113 0.000 1.369 60 Y HN -0.021 nan 8.280 nan 0.000 0.639 61 V N -0.316 119.494 119.914 -0.173 0.000 3.036 61 V HA 0.679 4.798 4.120 -0.000 0.000 0.280 61 V C -0.415 175.489 176.094 -0.316 0.000 1.497 61 V CA -0.111 62.005 62.300 -0.306 0.000 0.982 61 V CB 2.095 33.623 31.823 -0.491 0.000 1.171 61 V HN 1.020 nan 8.190 nan 0.000 0.444 62 G N 3.791 112.367 108.800 -0.372 0.000 2.749 62 G HA2 0.627 4.587 3.960 -0.000 0.000 0.300 62 G HA3 0.627 4.587 3.960 -0.000 0.000 0.300 62 G C -2.672 172.081 174.900 -0.246 0.000 1.352 62 G CA -0.400 44.527 45.100 -0.289 0.000 0.789 62 G HN 0.436 nan 8.290 nan 0.000 0.509 63 P HA -0.201 nan 4.420 nan 0.000 0.225 63 P C 1.713 178.970 177.300 -0.072 0.000 1.154 63 P CA 2.459 65.512 63.100 -0.079 0.000 0.933 63 P CB 0.101 31.782 31.700 -0.031 0.000 0.790 64 T N -1.145 113.372 114.554 -0.062 0.000 3.148 64 T HA 0.009 4.359 4.350 -0.000 0.000 0.253 64 T C 0.702 175.363 174.700 -0.064 0.000 1.134 64 T CA 0.434 62.578 62.100 0.073 0.000 1.051 64 T CB -0.464 68.590 68.868 0.310 0.000 0.959 64 T HN 0.262 nan 8.240 nan 0.000 0.525 65 Q N 1.379 120.987 119.800 -0.320 0.000 2.923 65 Q HA 0.279 4.619 4.340 -0.000 0.000 0.363 65 Q C 0.569 176.441 176.000 -0.213 0.000 1.159 65 Q CA -0.399 55.128 55.803 -0.459 0.000 1.073 65 Q CB 0.339 28.665 28.738 -0.686 0.000 1.364 65 Q HN 0.131 nan 8.270 nan 0.000 0.466 66 N N 1.037 119.666 118.700 -0.117 0.000 2.443 66 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 66 N C 1.049 176.543 175.510 -0.027 0.000 1.037 66 N CA 1.077 54.098 53.050 -0.048 0.000 0.896 66 N CB 0.311 38.797 38.487 -0.002 0.000 0.959 66 N HN 0.439 nan 8.380 nan 0.000 0.442 67 R N -0.190 120.291 120.500 -0.033 0.000 2.146 67 R HA 0.230 4.569 4.340 -0.000 0.000 0.206 67 R C 2.169 178.474 176.300 0.008 0.000 1.049 67 R CA 0.101 56.201 56.100 -0.000 0.000 1.029 67 R CB -0.054 30.257 30.300 0.018 0.000 0.949 67 R HN 0.127 nan 8.270 nan 0.000 0.471 68 I N 1.081 121.652 120.570 0.001 0.000 2.353 68 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 68 I C 1.512 177.693 176.117 0.106 0.000 1.119 68 I CA 0.914 62.247 61.300 0.054 0.000 1.417 68 I CB 0.105 38.158 38.000 0.088 0.000 1.078 68 I HN 0.041 nan 8.210 nan 0.000 0.421 69 L N 1.473 122.745 121.223 0.080 0.000 1.965 69 L HA -0.327 4.013 4.340 -0.000 0.000 0.226 69 L C 2.743 179.660 176.870 0.079 0.000 1.083 69 L CA 2.514 57.413 54.840 0.099 0.000 0.790 69 L CB -1.515 40.549 42.059 0.008 0.000 0.898 69 L HN 0.378 nan 8.230 nan 0.000 0.439 70 R N -0.758 119.763 120.500 0.036 0.000 2.134 70 R HA -0.258 4.082 4.340 -0.000 0.000 0.248 70 R C 2.291 178.600 176.300 0.014 0.000 1.143 70 R CA 2.362 58.476 56.100 0.024 0.000 0.957 70 R CB -0.652 29.657 30.300 0.015 0.000 0.867 70 R HN 0.335 nan 8.270 nan 0.000 0.441 71 L N 0.815 122.043 121.223 0.008 0.000 1.988 71 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 71 L C 2.522 179.366 176.870 -0.044 0.000 1.071 71 L CA 2.279 57.110 54.840 -0.016 0.000 0.744 71 L CB -1.097 40.950 42.059 -0.019 0.000 0.893 71 L HN 0.295 nan 8.230 nan 0.000 0.433 72 A N -0.294 122.490 122.820 -0.060 0.000 1.940 72 A HA -0.382 3.938 4.320 -0.000 0.000 0.221 72 A C 2.411 179.946 177.584 -0.081 0.000 1.190 72 A CA 2.563 54.504 52.037 -0.160 0.000 0.647 72 A CB -0.790 18.097 19.000 -0.188 0.000 0.821 72 A HN 0.583 nan 8.150 nan 0.000 0.457 73 K N -0.354 120.043 120.400 -0.004 0.000 1.984 73 K HA -0.156 4.163 4.320 -0.000 0.000 0.209 73 K C 2.001 178.592 176.600 -0.015 0.000 1.046 73 K CA 1.708 57.997 56.287 0.005 0.000 0.934 73 K CB -0.354 32.160 32.500 0.023 0.000 0.717 73 K HN 0.511 nan 8.250 nan 0.000 0.438 74 E N -0.301 119.890 120.200 -0.015 0.000 2.253 74 E HA -0.205 4.145 4.350 -0.000 0.000 0.202 74 E C 0.893 177.474 176.600 -0.031 0.000 1.014 74 E CA 1.353 57.743 56.400 -0.018 0.000 0.823 74 E CB -0.016 29.676 29.700 -0.015 0.000 0.736 74 E HN 0.277 nan 8.360 nan 0.000 0.478 75 L N -0.887 120.304 121.223 -0.053 0.000 2.653 75 L HA 0.275 4.615 4.340 -0.000 0.000 0.231 75 L C 0.930 177.761 176.870 -0.066 0.000 1.153 75 L CA 0.536 55.337 54.840 -0.064 0.000 0.933 75 L CB 0.675 42.681 42.059 -0.088 0.000 1.175 75 L HN 0.078 nan 8.230 nan 0.000 0.473 76 G N 0.380 109.151 108.800 -0.049 0.000 2.291 76 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.271 76 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.271 76 G C -0.273 174.601 174.900 -0.043 0.000 1.099 76 G CA -0.133 44.945 45.100 -0.036 0.000 0.919 76 G HN 0.224 nan 8.290 nan 0.000 0.496 77 L N -1.017 120.178 121.223 -0.047 0.000 2.313 77 L HA 0.860 5.200 4.340 -0.000 0.000 0.268 77 L C 0.370 177.277 176.870 0.063 0.000 1.010 77 L CA -1.066 53.751 54.840 -0.039 0.000 0.814 77 L CB 1.921 43.875 42.059 -0.176 0.000 1.304 77 L HN 0.218 nan 8.230 nan 0.000 0.441 78 E N -0.310 119.964 120.200 0.125 0.000 2.266 78 E HA 0.380 4.730 4.350 -0.000 0.000 0.268 78 E C -1.182 175.565 176.600 0.246 0.000 0.879 78 E CA -0.633 55.865 56.400 0.163 0.000 0.762 78 E CB 2.354 32.115 29.700 0.102 0.000 1.199 78 E HN 0.454 nan 8.360 nan 0.000 0.422 79 T N 1.566 116.224 114.554 0.173 0.000 2.813 79 T HA 0.299 4.649 4.350 -0.000 0.000 0.297 79 T C -1.016 173.778 174.700 0.155 0.000 1.036 79 T CA 0.123 62.260 62.100 0.061 0.000 1.044 79 T CB 0.148 69.007 68.868 -0.016 0.000 0.993 79 T HN 0.424 nan 8.240 nan 0.000 0.535 80 Y N -1.084 119.204 120.300 -0.021 0.000 2.482 80 Y HA 0.577 5.127 4.550 -0.000 0.000 0.334 80 Y C -0.792 175.103 175.900 -0.009 0.000 1.091 80 Y CA -1.506 56.595 58.100 0.002 0.000 1.027 80 Y CB 0.907 39.386 38.460 0.031 0.000 1.306 80 Y HN 0.409 nan 8.280 nan 0.000 0.446 81 K N 2.957 123.392 120.400 0.058 0.000 2.258 81 K HA 0.491 4.811 4.320 -0.000 0.000 0.264 81 K C -0.534 176.068 176.600 0.003 0.000 1.007 81 K CA -0.800 55.465 56.287 -0.037 0.000 0.941 81 K CB 1.367 33.875 32.500 0.013 0.000 0.966 81 K HN 0.513 nan 8.250 nan 0.000 0.480 82 V N 1.400 121.288 119.914 -0.043 0.000 2.785 82 V HA 0.027 4.147 4.120 -0.000 0.000 0.300 82 V C 0.328 176.463 176.094 0.068 0.000 1.062 82 V CA -0.927 61.392 62.300 0.032 0.000 1.029 82 V CB 1.048 32.884 31.823 0.021 0.000 1.024 82 V HN 0.703 nan 8.190 nan 0.000 0.477 83 N N 2.158 120.917 118.700 0.099 0.000 2.438 83 N HA 0.069 4.809 4.740 -0.000 0.000 0.267 83 N C 0.217 175.747 175.510 0.032 0.000 1.222 83 N CA 0.449 53.545 53.050 0.077 0.000 0.930 83 N CB 0.269 38.821 38.487 0.107 0.000 1.083 83 N HN 0.822 nan 8.380 nan 0.000 0.476 84 E N 2.715 122.925 120.200 0.017 0.000 3.029 84 E HA 0.086 4.436 4.350 -0.000 0.000 0.196 84 E C 0.400 176.996 176.600 -0.006 0.000 0.973 84 E CA -0.005 56.389 56.400 -0.011 0.000 1.242 84 E CB 0.406 30.088 29.700 -0.029 0.000 1.056 84 E HN 0.442 nan 8.360 nan 0.000 0.469 85 V N 0.688 120.610 119.914 0.013 0.000 2.283 85 V HA -0.147 3.973 4.120 -0.000 0.000 0.243 85 V C 1.454 177.555 176.094 0.013 0.000 1.039 85 V CA 1.324 63.631 62.300 0.012 0.000 1.016 85 V CB -0.408 31.426 31.823 0.018 0.000 0.650 85 V HN 0.272 nan 8.190 nan 0.000 0.449 86 E N 1.574 121.791 120.200 0.028 0.000 3.570 86 E HA 0.171 4.521 4.350 -0.000 0.000 0.298 86 E C 0.035 176.650 176.600 0.025 0.000 1.489 86 E CA -0.366 56.060 56.400 0.044 0.000 1.457 86 E CB 0.312 30.063 29.700 0.086 0.000 1.247 86 E HN 0.435 nan 8.360 nan 0.000 0.778 87 R N -0.522 120.021 120.500 0.072 0.000 2.553 87 R HA 0.577 4.916 4.340 -0.000 0.000 0.263 87 R C 0.162 176.402 176.300 -0.099 0.000 1.066 87 R CA -0.685 55.415 56.100 -0.000 0.000 1.135 87 R CB 0.526 30.891 30.300 0.108 0.000 1.148 87 R HN 0.311 nan 8.270 nan 0.000 0.558 88 L N 0.624 121.625 121.223 -0.370 0.000 2.286 88 L HA 0.657 4.997 4.340 -0.000 0.000 0.265 88 L C -0.185 176.514 176.870 -0.285 0.000 1.012 88 L CA -1.117 53.448 54.840 -0.459 0.000 0.818 88 L CB 1.019 42.586 42.059 -0.820 0.000 1.337 88 L HN 0.455 nan 8.230 nan 0.000 0.438 89 I N -0.204 120.343 120.570 -0.039 0.000 2.545 89 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 89 I C -1.175 175.235 176.117 0.488 0.000 1.040 89 I CA -0.558 60.866 61.300 0.207 0.000 1.068 89 I CB 2.289 40.249 38.000 -0.065 0.000 1.251 89 I HN 0.532 nan 8.210 nan 0.000 0.424 90 H N 4.653 123.998 119.070 0.457 0.000 2.708 90 H HA 0.394 4.950 4.556 -0.000 0.000 0.320 90 H C -1.372 174.215 175.328 0.433 0.000 0.991 90 H CA -0.665 55.593 56.048 0.349 0.000 1.243 90 H CB 0.650 30.502 29.762 0.149 0.000 1.446 90 H HN 0.503 nan 8.280 nan 0.000 0.502 91 H N 4.842 124.053 119.070 0.235 0.000 2.623 91 H HA 0.562 5.118 4.556 -0.000 0.000 0.299 91 H C -1.345 174.024 175.328 0.068 0.000 1.052 91 H CA -0.453 55.700 56.048 0.175 0.000 1.231 91 H CB 0.066 29.909 29.762 0.134 0.000 1.389 91 H HN 0.362 nan 8.280 nan 0.000 0.469 92 V N 5.570 125.380 119.914 -0.173 0.000 2.876 92 V HA 0.220 4.340 4.120 -0.000 0.000 0.312 92 V C -0.070 175.950 176.094 -0.124 0.000 1.085 92 V CA -1.184 60.995 62.300 -0.202 0.000 0.945 92 V CB 1.915 33.591 31.823 -0.246 0.000 1.017 92 V HN 0.971 nan 8.190 nan 0.000 0.428 93 K N 3.140 123.473 120.400 -0.112 0.000 3.077 93 K HA -0.237 4.083 4.320 -0.000 0.000 0.264 93 K C 0.989 177.530 176.600 -0.098 0.000 1.008 93 K CA 0.712 56.958 56.287 -0.069 0.000 0.740 93 K CB -1.440 31.041 32.500 -0.031 0.000 1.273 93 K HN 1.633 nan 8.250 nan 0.000 0.477 94 G N -0.297 108.357 108.800 -0.244 0.000 2.184 94 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.264 94 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.264 94 G C -0.097 174.745 174.900 -0.096 0.000 0.975 94 G CA 1.092 46.087 45.100 -0.175 0.000 0.642 94 G HN 0.394 nan 8.290 nan 0.000 0.536 95 K N 0.084 120.369 120.400 -0.192 0.000 2.328 95 K HA 0.648 4.968 4.320 -0.000 0.000 0.246 95 K C -0.488 176.181 176.600 0.115 0.000 0.955 95 K CA -0.614 55.665 56.287 -0.015 0.000 0.817 95 K CB 1.899 34.292 32.500 -0.178 0.000 1.208 95 K HN 0.076 nan 8.250 nan 0.000 0.432 96 S N 1.548 117.337 115.700 0.149 0.000 2.480 96 S HA 0.383 4.853 4.470 -0.000 0.000 0.286 96 S C -1.186 173.277 174.600 -0.229 0.000 1.180 96 S CA -0.606 57.676 58.200 0.137 0.000 1.075 96 S CB 0.118 63.373 63.200 0.092 0.000 0.996 96 S HN 0.319 nan 8.310 nan 0.000 0.487 97 Y N 2.409 122.832 120.300 0.206 0.000 2.331 97 Y HA 0.459 5.009 4.550 -0.000 0.000 0.334 97 Y C -2.600 173.483 175.900 0.305 0.000 0.960 97 Y CA -2.632 55.608 58.100 0.234 0.000 1.130 97 Y CB 1.019 39.623 38.460 0.240 0.000 1.164 97 Y HN 0.440 nan 8.280 nan 0.000 0.458 98 P HA 0.565 nan 4.420 nan 0.000 0.282 98 P C -1.121 176.486 177.300 0.513 0.000 1.259 98 P CA -0.536 62.783 63.100 0.364 0.000 0.826 98 P CB 1.210 33.080 31.700 0.283 0.000 1.064 99 F N -2.343 117.692 119.950 0.142 0.000 2.807 99 F HA 0.623 5.150 4.527 -0.000 0.000 0.316 99 F C -1.221 174.635 175.800 0.094 0.000 1.162 99 F CA -1.301 56.770 58.000 0.118 0.000 0.910 99 F CB 0.983 40.050 39.000 0.112 0.000 1.314 99 F HN -0.010 nan 8.300 nan 0.000 0.454 100 R N 1.048 121.638 120.500 0.151 0.000 2.875 100 R HA 0.794 5.134 4.340 -0.000 0.000 0.251 100 R C -0.038 176.355 176.300 0.156 0.000 1.123 100 R CA -0.500 55.611 56.100 0.018 0.000 1.064 100 R CB 1.228 31.565 30.300 0.061 0.000 1.205 100 R HN 1.525 nan 8.270 nan 0.000 0.503 101 G N 0.788 109.632 108.800 0.075 0.000 2.814 101 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.677 101 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.677 101 G C -2.115 172.890 174.900 0.174 0.000 1.429 101 G CA -0.826 44.353 45.100 0.132 0.000 0.868 101 G HN 0.384 nan 8.290 nan 0.000 0.553 102 P HA 0.166 nan 4.420 nan 0.000 0.226 102 P C 0.414 177.692 177.300 -0.036 0.000 1.153 102 P CA 1.123 64.205 63.100 -0.029 0.000 0.777 102 P CB 0.152 31.744 31.700 -0.180 0.000 0.794 103 F N -0.386 119.640 119.950 0.127 0.000 2.547 103 F HA 0.398 4.925 4.527 -0.000 0.000 0.316 103 F C -2.353 173.327 175.800 -0.200 0.000 1.121 103 F CA -2.850 55.117 58.000 -0.056 0.000 0.911 103 F CB 2.150 41.062 39.000 -0.146 0.000 1.179 103 F HN -0.332 nan 8.300 nan 0.000 0.443 104 P HA 0.280 nan 4.420 nan 0.000 0.280 104 P C -2.648 174.354 177.300 -0.498 0.000 1.244 104 P CA -1.400 61.097 63.100 -1.005 0.000 0.784 104 P CB 0.187 31.266 31.700 -1.035 0.000 0.913 105 P HA 0.220 nan 4.420 nan 0.000 0.278 105 P C -0.897 176.085 177.300 -0.530 0.000 1.238 105 P CA -0.429 62.487 63.100 -0.306 0.000 0.794 105 P CB 0.649 32.244 31.700 -0.175 0.000 0.955 106 V N 2.151 121.784 119.914 -0.468 0.000 2.628 106 V HA 0.391 4.511 4.120 -0.000 0.000 0.306 106 V C 0.714 176.593 176.094 -0.358 0.000 1.045 106 V CA -0.643 61.209 62.300 -0.747 0.000 0.905 106 V CB 1.342 32.707 31.823 -0.764 0.000 0.997 106 V HN 0.588 nan 8.190 nan 0.000 0.436 107 W N 1.981 123.253 121.300 -0.046 0.000 2.381 107 W HA -0.001 4.659 4.660 -0.000 0.000 0.323 107 W C 1.169 177.685 176.519 -0.006 0.000 1.194 107 W CA 0.916 58.247 57.345 -0.025 0.000 1.296 107 W CB -0.794 28.646 29.460 -0.035 0.000 1.175 107 W HN 0.730 nan 8.180 nan 0.000 0.465 108 N N 2.076 120.989 118.700 0.356 0.000 2.488 108 N HA 0.082 4.822 4.740 -0.000 0.000 0.274 108 N C -1.886 173.724 175.510 0.167 0.000 1.111 108 N CA -1.769 51.413 53.050 0.221 0.000 0.974 108 N CB 1.639 40.262 38.487 0.227 0.000 1.089 108 N HN -0.301 nan 8.380 nan 0.000 0.465 109 P HA -0.057 nan 4.420 nan 0.000 0.216 109 P C 0.701 178.080 177.300 0.132 0.000 1.150 109 P CA 1.291 64.461 63.100 0.116 0.000 0.837 109 P CB 0.168 31.904 31.700 0.061 0.000 0.786 110 I N -1.280 119.354 120.570 0.107 0.000 3.609 110 I HA 0.002 4.172 4.170 -0.000 0.000 0.305 110 I C 0.540 176.722 176.117 0.109 0.000 1.239 110 I CA 0.764 62.117 61.300 0.088 0.000 1.191 110 I CB -0.825 37.219 38.000 0.074 0.000 1.020 110 I HN 0.037 nan 8.210 nan 0.000 0.471 111 T N -2.357 112.273 114.554 0.128 0.000 3.367 111 T HA -0.057 4.293 4.350 -0.000 0.000 0.273 111 T C 1.261 175.999 174.700 0.064 0.000 0.879 111 T CA -0.182 62.001 62.100 0.139 0.000 0.952 111 T CB -0.217 68.741 68.868 0.151 0.000 1.236 111 T HN 0.239 nan 8.240 nan 0.000 0.532 112 Y N 2.819 123.099 120.300 -0.033 0.000 2.181 112 Y HA 0.065 4.615 4.550 -0.000 0.000 0.288 112 Y C 1.910 177.808 175.900 -0.003 0.000 1.146 112 Y CA 1.284 59.337 58.100 -0.079 0.000 1.164 112 Y CB -0.483 37.933 38.460 -0.075 0.000 0.982 112 Y HN 0.122 nan 8.280 nan 0.000 0.515 113 L N -0.142 121.121 121.223 0.066 0.000 2.017 113 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 113 L C 2.250 179.090 176.870 -0.050 0.000 1.073 113 L CA 1.711 56.559 54.840 0.012 0.000 0.745 113 L CB -0.690 41.392 42.059 0.039 0.000 0.894 113 L HN 0.268 nan 8.230 nan 0.000 0.432 114 D N -0.580 119.826 120.400 0.010 0.000 2.119 114 D HA -0.227 4.413 4.640 -0.000 0.000 0.199 114 D C 2.077 178.402 176.300 0.043 0.000 0.987 114 D CA 1.543 55.567 54.000 0.040 0.000 0.858 114 D CB -0.248 40.621 40.800 0.116 0.000 1.008 114 D HN 0.259 nan 8.370 nan 0.000 0.450 115 H N 0.004 119.011 119.070 -0.105 0.000 2.297 115 H HA -0.216 4.339 4.556 -0.000 0.000 0.289 115 H C 2.196 177.489 175.328 -0.059 0.000 1.105 115 H CA 1.533 57.521 56.048 -0.100 0.000 1.219 115 H CB -0.366 29.331 29.762 -0.108 0.000 1.351 115 H HN 0.306 nan 8.280 nan 0.000 0.481 116 N N 0.921 119.572 118.700 -0.081 0.000 2.061 116 N HA -0.189 4.551 4.740 -0.000 0.000 0.193 116 N C 1.854 177.339 175.510 -0.043 0.000 1.030 116 N CA 1.178 54.139 53.050 -0.148 0.000 0.856 116 N CB -0.231 38.044 38.487 -0.354 0.000 1.023 116 N HN 0.328 nan 8.380 nan 0.000 0.424 117 N N 0.606 119.276 118.700 -0.049 0.000 2.120 117 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 117 N C 1.731 177.214 175.510 -0.044 0.000 1.024 117 N CA 0.707 53.729 53.050 -0.045 0.000 0.852 117 N CB -0.711 37.751 38.487 -0.042 0.000 1.003 117 N HN 0.249 nan 8.380 nan 0.000 0.424 118 F N 0.628 120.470 119.950 -0.180 0.000 2.008 118 F HA -0.228 4.299 4.527 -0.000 0.000 0.297 118 F C 1.906 177.580 175.800 -0.210 0.000 1.156 118 F CA 2.131 59.957 58.000 -0.290 0.000 1.191 118 F CB -1.246 37.390 39.000 -0.608 0.000 0.955 118 F HN 0.114 nan 8.300 nan 0.000 0.497 119 W N 0.648 121.689 121.300 -0.432 0.000 2.318 119 W HA -0.176 4.484 4.660 -0.000 0.000 0.313 119 W C 2.770 179.063 176.519 -0.378 0.000 1.221 119 W CA 1.539 58.577 57.345 -0.512 0.000 1.266 119 W CB -0.873 28.483 29.460 -0.173 0.000 1.150 119 W HN 0.014 nan 8.180 nan 0.000 0.496 120 R N 0.239 120.725 120.500 -0.024 0.000 2.139 120 R HA -0.179 4.161 4.340 -0.000 0.000 0.243 120 R C 1.654 177.875 176.300 -0.132 0.000 1.145 120 R CA 2.086 58.140 56.100 -0.076 0.000 0.976 120 R CB -0.645 29.605 30.300 -0.083 0.000 0.866 120 R HN 0.146 nan 8.270 nan 0.000 0.449 121 T N 1.039 115.474 114.554 -0.198 0.000 2.851 121 T HA -0.018 4.332 4.350 -0.000 0.000 0.262 121 T C 1.844 176.401 174.700 -0.238 0.000 1.043 121 T CA 0.985 62.968 62.100 -0.194 0.000 1.140 121 T CB -0.016 68.747 68.868 -0.175 0.000 0.872 121 T HN 0.148 nan 8.240 nan 0.000 0.446 122 M N 1.617 121.006 119.600 -0.352 0.000 2.192 122 M HA -0.162 4.318 4.480 -0.000 0.000 0.256 122 M C 1.385 177.569 176.300 -0.194 0.000 1.076 122 M CA 1.580 56.707 55.300 -0.287 0.000 1.075 122 M CB -0.980 31.455 32.600 -0.275 0.000 1.368 122 M HN 0.179 nan 8.290 nan 0.000 0.406 123 D N -0.090 120.217 120.400 -0.155 0.000 2.262 123 D HA -0.051 4.589 4.640 -0.000 0.000 0.212 123 D C 1.610 177.848 176.300 -0.103 0.000 0.964 123 D CA 0.648 54.575 54.000 -0.122 0.000 0.875 123 D CB -0.166 40.574 40.800 -0.099 0.000 0.996 123 D HN 0.227 nan 8.370 nan 0.000 0.497 124 D N 0.204 120.546 120.400 -0.097 0.000 2.104 124 D HA -0.106 4.534 4.640 -0.000 0.000 0.194 124 D C 2.050 178.335 176.300 -0.025 0.000 0.994 124 D CA 0.797 54.762 54.000 -0.059 0.000 0.830 124 D CB -0.162 40.605 40.800 -0.055 0.000 0.959 124 D HN 0.227 nan 8.370 nan 0.000 0.452 125 M N -0.097 119.457 119.600 -0.076 0.000 2.296 125 M HA -0.026 4.454 4.480 -0.000 0.000 0.265 125 M C 2.132 178.419 176.300 -0.022 0.000 1.064 125 M CA 1.350 56.595 55.300 -0.092 0.000 1.109 125 M CB -0.153 32.187 32.600 -0.432 0.000 1.396 125 M HN 0.020 nan 8.290 nan 0.000 0.430 126 G N -0.642 108.113 108.800 -0.076 0.000 2.494 126 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 126 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 126 G C 1.527 176.412 174.900 -0.025 0.000 1.140 126 G CA -0.044 45.021 45.100 -0.058 0.000 0.801 126 G HN 0.333 nan 8.290 nan 0.000 0.536 127 R N -0.007 120.474 120.500 -0.031 0.000 2.377 127 R HA 0.006 4.346 4.340 -0.000 0.000 0.207 127 R C 1.514 177.810 176.300 -0.007 0.000 1.075 127 R CA 0.724 56.800 56.100 -0.040 0.000 1.035 127 R CB 0.035 30.311 30.300 -0.041 0.000 0.857 127 R HN 0.346 nan 8.270 nan 0.000 0.475 128 E N -0.430 119.802 120.200 0.054 0.000 2.603 128 E HA 0.177 4.527 4.350 -0.000 0.000 0.211 128 E C -0.723 175.918 176.600 0.069 0.000 0.995 128 E CA -0.103 56.337 56.400 0.067 0.000 0.990 128 E CB 0.658 30.427 29.700 0.116 0.000 1.036 128 E HN 0.158 nan 8.360 nan 0.000 0.475 129 I N 2.392 123.003 120.570 0.070 0.000 2.390 129 I HA 0.317 4.487 4.170 -0.000 0.000 0.283 129 I C -2.354 173.761 176.117 -0.002 0.000 1.016 129 I CA -2.540 58.801 61.300 0.068 0.000 1.151 129 I CB 1.265 39.364 38.000 0.164 0.000 1.293 129 I HN -0.209 nan 8.210 nan 0.000 0.458 130 P HA 0.047 nan 4.420 nan 0.000 0.261 130 P C 0.574 177.822 177.300 -0.088 0.000 1.183 130 P CA 0.373 63.397 63.100 -0.126 0.000 0.761 130 P CB 0.695 32.271 31.700 -0.206 0.000 0.785 131 S N 2.403 118.064 115.700 -0.065 0.000 2.345 131 S HA -0.189 4.281 4.470 -0.000 0.000 0.220 131 S C 1.563 176.206 174.600 0.072 0.000 1.031 131 S CA 1.280 59.534 58.200 0.090 0.000 0.996 131 S CB -0.901 62.228 63.200 -0.117 0.000 0.882 131 S HN 0.499 nan 8.310 nan 0.000 0.445 132 D N 2.040 122.363 120.400 -0.128 0.000 3.048 132 D HA -0.218 4.422 4.640 -0.000 0.000 0.192 132 D C 0.401 176.485 176.300 -0.360 0.000 1.125 132 D CA 1.951 55.805 54.000 -0.243 0.000 0.878 132 D CB -0.182 40.452 40.800 -0.277 0.000 0.924 132 D HN 0.505 nan 8.370 nan 0.000 0.496 133 A N -2.145 120.324 122.820 -0.584 0.000 2.893 133 A HA 0.406 4.726 4.320 -0.000 0.000 0.298 133 A C -2.139 174.651 177.584 -1.325 0.000 1.227 133 A CA -0.762 50.464 52.037 -1.352 0.000 0.845 133 A CB 1.031 19.377 19.000 -1.091 0.000 1.430 133 A HN -0.044 nan 8.150 nan 0.000 0.493 134 P HA -0.150 nan 4.420 nan 0.000 0.221 134 P C 0.971 178.056 177.300 -0.359 0.000 1.145 134 P CA 1.378 64.157 63.100 -0.535 0.000 0.795 134 P CB -0.242 31.083 31.700 -0.624 0.000 0.775 135 W N -0.543 120.679 121.300 -0.129 0.000 3.204 135 W HA 0.245 4.905 4.660 -0.000 0.000 0.249 135 W C 0.863 177.340 176.519 -0.069 0.000 1.322 135 W CA -0.007 57.285 57.345 -0.088 0.000 1.593 135 W CB -1.041 28.364 29.460 -0.092 0.000 1.122 135 W HN -0.150 nan 8.180 nan 0.000 0.710 136 K N 0.933 121.238 120.400 -0.159 0.000 2.498 136 K HA 0.381 4.701 4.320 -0.000 0.000 0.207 136 K C 0.485 177.031 176.600 -0.090 0.000 1.033 136 K CA -0.123 56.120 56.287 -0.075 0.000 1.138 136 K CB 0.263 32.677 32.500 -0.144 0.000 0.860 136 K HN 0.111 nan 8.250 nan 0.000 0.490 137 A N 1.808 124.578 122.820 -0.084 0.000 2.371 137 A HA 0.262 4.582 4.320 -0.000 0.000 0.257 137 A C -1.629 175.851 177.584 -0.172 0.000 1.089 137 A CA -1.141 50.829 52.037 -0.112 0.000 0.794 137 A CB 0.235 19.192 19.000 -0.071 0.000 1.029 137 A HN -0.048 nan 8.150 nan 0.000 0.488 138 P HA -0.155 nan 4.420 nan 0.000 0.218 138 P C 0.573 177.683 177.300 -0.316 0.000 1.154 138 P CA 1.365 64.339 63.100 -0.210 0.000 0.872 138 P CB 0.093 31.675 31.700 -0.196 0.000 0.790 139 L N -2.623 118.260 121.223 -0.566 0.000 3.017 139 L HA 0.329 4.669 4.340 -0.000 0.000 0.255 139 L C 1.854 178.352 176.870 -0.620 0.000 1.247 139 L CA -0.271 54.123 54.840 -0.743 0.000 1.038 139 L CB -0.387 40.876 42.059 -1.326 0.000 1.380 139 L HN -0.097 nan 8.230 nan 0.000 0.548 140 A N 0.844 123.478 122.820 -0.311 0.000 1.863 140 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 140 A C 2.074 179.655 177.584 -0.005 0.000 1.233 140 A CA 2.111 54.099 52.037 -0.081 0.000 0.655 140 A CB -0.363 18.643 19.000 0.011 0.000 0.839 140 A HN 0.504 nan 8.150 nan 0.000 0.454 141 E N -1.085 119.103 120.200 -0.019 0.000 2.033 141 E HA -0.289 4.061 4.350 -0.000 0.000 0.199 141 E C 2.150 178.779 176.600 0.049 0.000 1.011 141 E CA 1.495 57.909 56.400 0.025 0.000 0.815 141 E CB -0.337 29.362 29.700 -0.002 0.000 0.755 141 E HN 0.823 nan 8.360 nan 0.000 0.451 142 E N 0.041 120.230 120.200 -0.017 0.000 2.086 142 E HA -0.230 4.120 4.350 -0.000 0.000 0.200 142 E C 1.809 178.546 176.600 0.228 0.000 1.012 142 E CA 1.571 58.000 56.400 0.049 0.000 0.812 142 E CB -0.074 29.607 29.700 -0.032 0.000 0.743 142 E HN 0.310 nan 8.360 nan 0.000 0.453 143 W N 0.799 122.139 121.300 0.066 0.000 2.436 143 W HA -0.012 4.647 4.660 -0.000 0.000 0.284 143 W C 1.986 178.571 176.519 0.110 0.000 1.225 143 W CA 0.776 58.173 57.345 0.087 0.000 1.271 143 W CB -0.928 28.586 29.460 0.089 0.000 1.114 143 W HN 0.228 nan 8.180 nan 0.000 0.559 144 D N -0.417 120.178 120.400 0.326 0.000 2.277 144 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 144 D C 1.278 177.694 176.300 0.193 0.000 0.962 144 D CA 0.916 55.066 54.000 0.251 0.000 0.865 144 D CB -0.231 40.691 40.800 0.203 0.000 0.939 144 D HN -0.009 nan 8.370 nan 0.000 0.510 145 N N -0.259 118.540 118.700 0.165 0.000 2.322 145 N HA 0.039 4.779 4.740 -0.000 0.000 0.194 145 N C 0.337 175.922 175.510 0.125 0.000 1.126 145 N CA 0.040 53.165 53.050 0.125 0.000 0.845 145 N CB 0.589 39.130 38.487 0.091 0.000 0.976 145 N HN 0.322 nan 8.380 nan 0.000 0.475 146 M N -0.090 119.604 119.600 0.157 0.000 2.573 146 M HA 0.227 4.707 4.480 -0.000 0.000 0.309 146 M C -0.264 176.113 176.300 0.128 0.000 1.202 146 M CA -0.164 55.217 55.300 0.134 0.000 0.975 146 M CB 1.826 34.521 32.600 0.158 0.000 1.600 146 M HN -0.234 nan 8.290 nan 0.000 0.479 147 T N 1.615 116.227 114.554 0.096 0.000 2.918 147 T HA 0.320 4.670 4.350 -0.000 0.000 0.286 147 T C 1.215 175.954 174.700 0.064 0.000 1.026 147 T CA -0.708 61.444 62.100 0.087 0.000 1.031 147 T CB 1.197 70.106 68.868 0.070 0.000 1.046 147 T HN 0.633 nan 8.240 nan 0.000 0.479 148 M N 1.945 121.573 119.600 0.047 0.000 2.106 148 M HA -0.109 4.371 4.480 -0.000 0.000 0.259 148 M C 2.152 178.442 176.300 -0.017 0.000 1.068 148 M CA 1.805 57.108 55.300 0.006 0.000 1.100 148 M CB -0.906 31.636 32.600 -0.095 0.000 1.351 148 M HN 0.643 nan 8.290 nan 0.000 0.404 149 K N 0.382 120.768 120.400 -0.023 0.000 2.103 149 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 149 K C 1.736 178.330 176.600 -0.010 0.000 1.048 149 K CA 1.519 57.792 56.287 -0.024 0.000 0.930 149 K CB -0.078 32.428 32.500 0.009 0.000 0.716 149 K HN 0.357 nan 8.250 nan 0.000 0.444 150 E N 0.415 120.621 120.200 0.011 0.000 2.038 150 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 150 E C 2.035 178.642 176.600 0.012 0.000 1.000 150 E CA 1.281 57.690 56.400 0.014 0.000 0.803 150 E CB -0.155 29.566 29.700 0.035 0.000 0.750 150 E HN 0.243 nan 8.360 nan 0.000 0.448 151 L N 1.303 122.540 121.223 0.022 0.000 1.989 151 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 151 L C 2.155 179.040 176.870 0.025 0.000 1.071 151 L CA 1.614 56.467 54.840 0.023 0.000 0.749 151 L CB -0.679 41.388 42.059 0.015 0.000 0.890 151 L HN 0.138 nan 8.230 nan 0.000 0.431 152 L N -0.806 120.424 121.223 0.012 0.000 2.017 152 L HA -0.231 4.108 4.340 -0.000 0.000 0.208 152 L C 2.344 179.189 176.870 -0.042 0.000 1.073 152 L CA 1.489 56.320 54.840 -0.016 0.000 0.745 152 L CB -0.993 41.014 42.059 -0.085 0.000 0.894 152 L HN 0.284 nan 8.230 nan 0.000 0.432 153 D N 0.192 120.562 120.400 -0.049 0.000 2.158 153 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 153 D C 2.139 178.392 176.300 -0.079 0.000 0.995 153 D CA 1.348 55.305 54.000 -0.072 0.000 0.846 153 D CB -0.013 40.751 40.800 -0.061 0.000 0.941 153 D HN 0.257 nan 8.370 nan 0.000 0.456 154 K N -0.079 120.300 120.400 -0.034 0.000 2.305 154 K HA 0.045 4.365 4.320 -0.000 0.000 0.199 154 K C 1.764 178.380 176.600 0.026 0.000 1.047 154 K CA 0.124 56.397 56.287 -0.023 0.000 0.976 154 K CB 0.321 32.833 32.500 0.020 0.000 0.765 154 K HN 0.082 nan 8.250 nan 0.000 0.474 155 L N 0.466 121.723 121.223 0.055 0.000 2.554 155 L HA 0.143 4.483 4.340 -0.000 0.000 0.225 155 L C -0.297 176.699 176.870 0.209 0.000 1.104 155 L CA 0.310 55.233 54.840 0.139 0.000 0.866 155 L CB 0.703 42.841 42.059 0.132 0.000 1.047 155 L HN 0.151 nan 8.230 nan 0.000 0.468 156 C N -0.901 118.473 119.300 0.124 0.000 2.322 156 C HA 0.255 4.715 4.460 -0.000 0.000 0.324 156 C C 0.500 175.584 174.990 0.157 0.000 1.249 156 C CA -0.855 58.232 59.018 0.115 0.000 1.453 156 C CB 0.317 28.011 27.740 -0.077 0.000 2.145 156 C HN 0.457 nan 8.230 nan 0.000 0.466 157 W N 1.923 123.201 121.300 -0.037 0.000 3.290 157 W HA 0.218 4.878 4.660 -0.000 0.000 0.287 157 W C 0.858 177.371 176.519 -0.010 0.000 1.288 157 W CA -0.035 57.300 57.345 -0.017 0.000 1.725 157 W CB -0.031 29.429 29.460 -0.001 0.000 1.103 157 W HN 0.473 nan 8.180 nan 0.000 0.670 158 T N -0.065 114.587 114.554 0.163 0.000 2.876 158 T HA 0.136 4.486 4.350 -0.000 0.000 0.289 158 T C 0.934 175.658 174.700 0.039 0.000 1.014 158 T CA -0.654 61.517 62.100 0.117 0.000 0.986 158 T CB 2.844 71.805 68.868 0.155 0.000 1.021 158 T HN -0.198 nan 8.240 nan 0.000 0.458 159 E N 1.398 121.623 120.200 0.041 0.000 2.023 159 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 159 E C 2.253 178.870 176.600 0.028 0.000 1.003 159 E CA 1.190 57.599 56.400 0.015 0.000 0.809 159 E CB -0.287 29.429 29.700 0.027 0.000 0.755 159 E HN 0.563 nan 8.360 nan 0.000 0.449 160 S N 0.384 116.154 115.700 0.116 0.000 2.425 160 S HA -0.336 4.134 4.470 -0.000 0.000 0.256 160 S C 1.954 176.585 174.600 0.052 0.000 1.101 160 S CA 2.101 60.422 58.200 0.200 0.000 1.188 160 S CB -0.292 63.140 63.200 0.388 0.000 1.085 160 S HN 0.474 nan 8.310 nan 0.000 0.439 161 A N 0.428 123.172 122.820 -0.127 0.000 1.872 161 A HA -0.027 4.293 4.320 -0.000 0.000 0.214 161 A C 2.021 179.303 177.584 -0.504 0.000 1.187 161 A CA 1.649 53.303 52.037 -0.638 0.000 0.614 161 A CB -0.562 18.020 19.000 -0.696 0.000 0.826 161 A HN 0.509 nan 8.150 nan 0.000 0.442 162 K N -0.536 119.680 120.400 -0.307 0.000 2.089 162 K HA -0.271 4.049 4.320 -0.000 0.000 0.210 162 K C 2.284 178.737 176.600 -0.245 0.000 1.048 162 K CA 2.094 58.212 56.287 -0.282 0.000 0.926 162 K CB -0.168 32.234 32.500 -0.163 0.000 0.714 162 K HN 0.648 nan 8.250 nan 0.000 0.448 163 Q N 0.085 119.795 119.800 -0.150 0.000 2.016 163 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 163 Q C 2.058 178.010 176.000 -0.080 0.000 0.978 163 Q CA 1.085 56.840 55.803 -0.079 0.000 0.833 163 Q CB -0.137 28.601 28.738 0.000 0.000 0.895 163 Q HN 0.172 nan 8.270 nan 0.000 0.427 164 L N 0.839 122.007 121.223 -0.092 0.000 2.021 164 L HA -0.241 4.098 4.340 -0.000 0.000 0.215 164 L C 2.120 178.921 176.870 -0.114 0.000 1.074 164 L CA 2.361 57.181 54.840 -0.033 0.000 0.760 164 L CB -1.175 40.865 42.059 -0.032 0.000 0.889 164 L HN 0.212 nan 8.230 nan 0.000 0.433 165 A N -1.903 120.654 122.820 -0.439 0.000 1.877 165 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 165 A C 2.200 179.693 177.584 -0.150 0.000 1.186 165 A CA 2.348 54.076 52.037 -0.515 0.000 0.620 165 A CB -1.209 17.096 19.000 -1.157 0.000 0.822 165 A HN 0.519 nan 8.150 nan 0.000 0.443 166 T N 0.456 114.900 114.554 -0.183 0.000 2.565 166 T HA -0.288 4.062 4.350 -0.000 0.000 0.265 166 T C 1.844 176.510 174.700 -0.056 0.000 1.082 166 T CA 1.839 63.866 62.100 -0.122 0.000 1.173 166 T CB -0.706 68.103 68.868 -0.099 0.000 0.864 166 T HN 0.393 nan 8.240 nan 0.000 0.425 167 L N 0.315 121.550 121.223 0.020 0.000 1.971 167 L HA -0.142 4.198 4.340 -0.000 0.000 0.215 167 L C 2.237 179.197 176.870 0.150 0.000 1.072 167 L CA 1.871 56.763 54.840 0.087 0.000 0.758 167 L CB -0.641 41.506 42.059 0.147 0.000 0.889 167 L HN 0.233 nan 8.230 nan 0.000 0.433 168 F N -0.504 119.495 119.950 0.082 0.000 2.167 168 F HA -0.283 4.244 4.527 -0.000 0.000 0.301 168 F C 1.890 177.769 175.800 0.131 0.000 1.066 168 F CA 2.078 60.191 58.000 0.188 0.000 1.285 168 F CB -0.752 38.474 39.000 0.377 0.000 1.032 168 F HN -0.001 nan 8.300 nan 0.000 0.495 169 V N -0.013 119.799 119.914 -0.169 0.000 2.436 169 V HA -0.170 3.950 4.120 -0.000 0.000 0.240 169 V C 2.104 177.992 176.094 -0.343 0.000 1.040 169 V CA 1.437 63.441 62.300 -0.492 0.000 1.052 169 V CB -0.764 30.693 31.823 -0.609 0.000 0.707 169 V HN 0.181 nan 8.190 nan 0.000 0.469 170 N N 0.605 119.165 118.700 -0.232 0.000 2.139 170 N HA -0.245 4.495 4.740 -0.000 0.000 0.199 170 N C 1.647 177.066 175.510 -0.152 0.000 1.003 170 N CA 1.708 54.653 53.050 -0.175 0.000 0.892 170 N CB -0.470 37.961 38.487 -0.093 0.000 1.039 170 N HN 0.368 nan 8.380 nan 0.000 0.461 171 L N -0.658 120.509 121.223 -0.093 0.000 2.131 171 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 171 L C 1.750 178.618 176.870 -0.003 0.000 1.087 171 L CA 0.883 55.697 54.840 -0.043 0.000 0.767 171 L CB -0.106 41.955 42.059 0.003 0.000 0.917 171 L HN 0.280 nan 8.230 nan 0.000 0.441 172 C N -1.116 118.165 119.300 -0.032 0.000 2.587 172 C HA 0.044 4.504 4.460 -0.000 0.000 0.282 172 C C 1.631 176.728 174.990 0.179 0.000 1.277 172 C CA -0.354 58.737 59.018 0.121 0.000 1.702 172 C CB -0.013 27.777 27.740 0.085 0.000 2.113 172 C HN 0.153 nan 8.230 nan 0.000 0.490 173 V N -0.036 119.882 119.914 0.006 0.000 3.513 173 V HA 0.219 4.339 4.120 -0.000 0.000 0.297 173 V C 1.106 177.072 176.094 -0.213 0.000 1.058 173 V CA 0.336 62.608 62.300 -0.045 0.000 1.003 173 V CB 1.268 33.120 31.823 0.047 0.000 1.236 173 V HN 0.314 nan 8.190 nan 0.000 0.436 174 T N 0.715 115.128 114.554 -0.236 0.000 3.145 174 T HA 0.560 4.910 4.350 -0.000 0.000 0.255 174 T C 0.142 174.662 174.700 -0.299 0.000 1.039 174 T CA 0.741 62.626 62.100 -0.358 0.000 0.928 174 T CB -0.096 68.474 68.868 -0.496 0.000 1.029 174 T HN 0.777 nan 8.240 nan 0.000 0.554 175 A N 0.562 123.171 122.820 -0.351 0.000 3.434 175 A HA 0.774 5.094 4.320 -0.000 0.000 0.247 175 A C -1.043 176.305 177.584 -0.393 0.000 1.075 175 A CA -0.746 51.057 52.037 -0.391 0.000 0.737 175 A CB 0.843 19.505 19.000 -0.564 0.000 1.412 175 A HN 0.183 nan 8.150 nan 0.000 0.691 176 E N 0.780 120.702 120.200 -0.464 0.000 2.277 176 E HA 0.294 4.644 4.350 -0.000 0.000 0.274 176 E C 0.823 177.106 176.600 -0.528 0.000 1.022 176 E CA 0.401 56.469 56.400 -0.553 0.000 0.853 176 E CB 1.157 30.319 29.700 -0.897 0.000 1.086 176 E HN 0.741 nan 8.360 nan 0.000 0.397 177 T N -1.203 113.103 114.554 -0.414 0.000 2.822 177 T HA -0.238 4.112 4.350 -0.000 0.000 0.270 177 T C 1.405 175.999 174.700 -0.177 0.000 1.064 177 T CA 1.777 63.707 62.100 -0.283 0.000 1.131 177 T CB -0.480 68.266 68.868 -0.203 0.000 0.858 177 T HN 0.655 nan 8.240 nan 0.000 0.483 178 H N 0.161 119.164 119.070 -0.112 0.000 2.548 178 H HA 0.302 4.858 4.556 -0.000 0.000 0.265 178 H C 1.262 176.543 175.328 -0.078 0.000 0.969 178 H CA 0.406 56.407 56.048 -0.079 0.000 1.155 178 H CB -0.092 29.628 29.762 -0.069 0.000 1.394 178 H HN 0.465 nan 8.280 nan 0.000 0.570 179 E N 1.112 121.232 120.200 -0.133 0.000 2.479 179 E HA 0.203 4.553 4.350 -0.000 0.000 0.193 179 E C -0.490 176.062 176.600 -0.080 0.000 1.049 179 E CA -0.170 56.181 56.400 -0.081 0.000 0.870 179 E CB 1.190 30.706 29.700 -0.307 0.000 0.944 179 E HN 0.107 nan 8.360 nan 0.000 0.492 180 V N 0.458 120.344 119.914 -0.048 0.000 2.971 180 V HA 0.139 4.259 4.120 -0.000 0.000 0.309 180 V C -0.578 175.612 176.094 0.160 0.000 1.130 180 V CA -0.926 61.389 62.300 0.025 0.000 0.964 180 V CB 2.252 34.043 31.823 -0.054 0.000 1.029 180 V HN 0.051 nan 8.190 nan 0.000 0.427 181 S N 3.562 119.417 115.700 0.259 0.000 2.510 181 S HA 0.414 4.884 4.470 -0.000 0.000 0.279 181 S C 1.335 176.164 174.600 0.382 0.000 1.284 181 S CA 0.302 58.685 58.200 0.305 0.000 1.059 181 S CB 1.362 64.764 63.200 0.337 0.000 0.901 181 S HN 1.257 nan 8.310 nan 0.000 0.491 182 A N 5.316 128.299 122.820 0.271 0.000 1.869 182 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 182 A C 2.084 179.835 177.584 0.279 0.000 1.203 182 A CA 1.996 54.173 52.037 0.235 0.000 0.638 182 A CB -1.245 17.821 19.000 0.111 0.000 0.831 182 A HN 1.156 nan 8.150 nan 0.000 0.450 183 L N -1.425 119.998 121.223 0.333 0.000 2.051 183 L HA -0.214 4.126 4.340 -0.000 0.000 0.214 183 L C 2.171 179.273 176.870 0.386 0.000 1.076 183 L CA 2.802 57.873 54.840 0.384 0.000 0.758 183 L CB -0.857 41.444 42.059 0.404 0.000 0.890 183 L HN 0.674 nan 8.230 nan 0.000 0.433 184 W N -0.351 121.091 121.300 0.237 0.000 2.381 184 W HA -0.260 4.400 4.660 -0.000 0.000 0.321 184 W C 2.481 179.227 176.519 0.378 0.000 1.196 184 W CA 2.036 59.540 57.345 0.264 0.000 1.304 184 W CB -1.007 28.616 29.460 0.271 0.000 1.166 184 W HN 0.286 nan 8.180 nan 0.000 0.473 185 F N 1.095 121.245 119.950 0.334 0.000 2.115 185 F HA -0.295 4.232 4.527 -0.000 0.000 0.300 185 F C 2.132 177.882 175.800 -0.084 0.000 1.092 185 F CA 2.354 60.301 58.000 -0.089 0.000 1.245 185 F CB -0.927 38.130 39.000 0.096 0.000 0.995 185 F HN -0.061 nan 8.300 nan 0.000 0.481 186 L N -1.251 119.946 121.223 -0.043 0.000 1.989 186 L HA -0.272 4.068 4.340 -0.000 0.000 0.211 186 L C 2.394 179.167 176.870 -0.161 0.000 1.071 186 L CA 2.046 56.786 54.840 -0.168 0.000 0.749 186 L CB -1.159 40.833 42.059 -0.112 0.000 0.890 186 L HN 0.471 nan 8.230 nan 0.000 0.431 187 W N 0.050 121.217 121.300 -0.223 0.000 2.302 187 W HA -0.361 4.298 4.660 -0.000 0.000 0.320 187 W C 2.643 178.939 176.519 -0.372 0.000 1.241 187 W CA 2.126 59.317 57.345 -0.256 0.000 1.264 187 W CB -0.790 28.549 29.460 -0.202 0.000 1.154 187 W HN 0.145 nan 8.180 nan 0.000 0.483 188 Y N 0.400 120.319 120.300 -0.635 0.000 2.070 188 Y HA -0.336 4.213 4.550 -0.000 0.000 0.280 188 Y C 2.509 177.897 175.900 -0.854 0.000 1.148 188 Y CA 3.166 60.687 58.100 -0.965 0.000 1.125 188 Y CB -1.057 36.825 38.460 -0.964 0.000 0.975 188 Y HN -0.149 nan 8.280 nan 0.000 0.492 189 V N 1.117 120.660 119.914 -0.618 0.000 2.252 189 V HA -0.400 3.720 4.120 -0.000 0.000 0.249 189 V C 2.341 178.101 176.094 -0.557 0.000 1.056 189 V CA 2.665 64.658 62.300 -0.512 0.000 1.022 189 V CB -0.978 30.611 31.823 -0.390 0.000 0.641 189 V HN 0.515 nan 8.190 nan 0.000 0.445 190 K N 1.616 121.706 120.400 -0.516 0.000 2.147 190 K HA -0.274 4.046 4.320 -0.000 0.000 0.205 190 K C 1.980 178.208 176.600 -0.620 0.000 1.049 190 K CA 2.054 58.064 56.287 -0.462 0.000 0.936 190 K CB -0.449 31.847 32.500 -0.340 0.000 0.722 190 K HN 0.645 nan 8.250 nan 0.000 0.446 191 Q N -0.258 119.025 119.800 -0.862 0.000 2.488 191 Q HA -0.020 4.320 4.340 -0.000 0.000 0.211 191 Q C 1.002 176.434 176.000 -0.948 0.000 0.967 191 Q CA 1.232 56.471 55.803 -0.941 0.000 0.926 191 Q CB -0.217 27.710 28.738 -1.350 0.000 0.992 191 Q HN 0.403 nan 8.270 nan 0.000 0.506 192 C N -0.804 117.856 119.300 -1.066 0.000 3.038 192 C HA 0.696 5.156 4.460 -0.000 0.000 0.279 192 C C 1.379 175.773 174.990 -0.993 0.000 1.276 192 C CA -0.219 57.875 59.018 -1.540 0.000 1.697 192 C CB -0.323 26.173 27.740 -2.074 0.000 2.032 192 C HN 0.739 nan 8.230 nan 0.000 0.636 193 G N 0.393 108.821 108.800 -0.620 0.000 2.151 193 G HA2 0.398 4.358 3.960 -0.000 0.000 0.156 193 G HA3 0.398 4.358 3.960 -0.000 0.000 0.156 193 G C 0.366 175.100 174.900 -0.277 0.000 1.017 193 G CA -0.100 44.778 45.100 -0.369 0.000 0.686 193 G HN 1.662 nan 8.290 nan 0.000 0.503 194 G N -1.555 107.062 108.800 -0.304 0.000 2.785 194 G HA2 0.202 4.162 3.960 -0.000 0.000 0.685 194 G HA3 0.202 4.162 3.960 -0.000 0.000 0.685 194 G C 1.215 176.039 174.900 -0.126 0.000 1.480 194 G CA 0.620 45.602 45.100 -0.196 0.000 0.915 194 G HN 1.787 nan 8.290 nan 0.000 0.576 195 T N 0.371 114.885 114.554 -0.067 0.000 2.261 195 T HA -0.394 3.956 4.350 -0.000 0.000 0.203 195 T C 2.311 176.900 174.700 -0.185 0.000 1.596 195 T CA 3.380 65.412 62.100 -0.112 0.000 1.039 195 T CB -1.506 67.296 68.868 -0.111 0.000 0.818 195 T HN 1.350 nan 8.240 nan 0.000 0.433 196 T N 1.141 115.609 114.554 -0.143 0.000 2.597 196 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 196 T C 2.131 176.762 174.700 -0.115 0.000 1.053 196 T CA 2.097 64.111 62.100 -0.144 0.000 1.165 196 T CB -0.422 68.425 68.868 -0.034 0.000 0.863 196 T HN 0.399 nan 8.240 nan 0.000 0.427 197 R N 0.661 121.121 120.500 -0.067 0.000 2.117 197 R HA 0.030 4.370 4.340 -0.000 0.000 0.243 197 R C 2.212 178.548 176.300 0.059 0.000 1.143 197 R CA 1.443 57.542 56.100 -0.001 0.000 0.968 197 R CB -0.779 29.521 30.300 -0.001 0.000 0.863 197 R HN 0.495 nan 8.270 nan 0.000 0.444 198 I N -0.634 119.951 120.570 0.025 0.000 2.400 198 I HA -0.116 4.054 4.170 -0.000 0.000 0.248 198 I C 1.618 177.803 176.117 0.114 0.000 1.109 198 I CA 0.984 62.368 61.300 0.141 0.000 1.425 198 I CB 0.084 38.154 38.000 0.117 0.000 1.094 198 I HN 0.192 nan 8.210 nan 0.000 0.425 199 I N -0.132 120.421 120.570 -0.028 0.000 2.761 199 I HA -0.109 4.061 4.170 -0.000 0.000 0.261 199 I C 0.956 176.985 176.117 -0.147 0.000 1.198 199 I CA 0.206 61.431 61.300 -0.126 0.000 1.482 199 I CB -0.165 37.595 38.000 -0.399 0.000 1.100 199 I HN 0.034 nan 8.210 nan 0.000 0.445 200 S N 0.496 116.119 115.700 -0.129 0.000 2.549 200 S HA 0.053 4.523 4.470 -0.000 0.000 0.279 200 S C 1.204 175.773 174.600 -0.052 0.000 1.321 200 S CA -0.142 57.991 58.200 -0.111 0.000 1.054 200 S CB 1.679 64.824 63.200 -0.091 0.000 0.899 200 S HN 0.167 nan 8.310 nan 0.000 0.497 201 T N 3.173 117.699 114.554 -0.047 0.000 2.706 201 T HA -0.068 4.282 4.350 -0.000 0.000 0.255 201 T C 2.091 176.765 174.700 -0.045 0.000 1.048 201 T CA 1.498 63.572 62.100 -0.044 0.000 1.153 201 T CB -0.256 68.587 68.868 -0.042 0.000 0.865 201 T HN 0.620 nan 8.240 nan 0.000 0.414 202 T N 1.689 116.219 114.554 -0.040 0.000 2.612 202 T HA -0.054 4.296 4.350 -0.000 0.000 0.259 202 T C 1.496 176.178 174.700 -0.030 0.000 1.065 202 T CA 1.119 63.199 62.100 -0.033 0.000 1.167 202 T CB -0.420 68.434 68.868 -0.024 0.000 0.863 202 T HN 0.211 nan 8.240 nan 0.000 0.407 203 N N 1.166 119.851 118.700 -0.025 0.000 2.484 203 N HA 0.289 5.029 4.740 -0.000 0.000 0.245 203 N C 0.043 175.545 175.510 -0.012 0.000 1.184 203 N CA 0.059 53.099 53.050 -0.017 0.000 0.884 203 N CB -0.250 38.233 38.487 -0.008 0.000 1.182 203 N HN 0.482 nan 8.380 nan 0.000 0.493 204 G N -2.075 106.714 108.800 -0.020 0.000 2.619 204 G HA2 0.254 4.214 3.960 -0.000 0.000 0.146 204 G HA3 0.254 4.214 3.960 -0.000 0.000 0.146 204 G C 0.865 175.751 174.900 -0.023 0.000 1.192 204 G CA -0.048 45.053 45.100 0.003 0.000 1.063 204 G HN 0.107 nan 8.290 nan 0.000 0.538 205 G N -0.046 108.778 108.800 0.040 0.000 2.679 205 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.222 205 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.222 205 G C 1.140 176.012 174.900 -0.045 0.000 1.164 205 G CA 1.936 47.041 45.100 0.008 0.000 0.769 205 G HN 0.541 nan 8.290 nan 0.000 0.610 206 Q N -0.215 119.563 119.800 -0.038 0.000 2.268 206 Q HA 0.363 4.703 4.340 -0.000 0.000 0.289 206 Q C 1.379 177.355 176.000 -0.040 0.000 0.893 206 Q CA 0.003 55.769 55.803 -0.061 0.000 1.057 206 Q CB 0.946 29.536 28.738 -0.247 0.000 1.173 206 Q HN 0.732 nan 8.270 nan 0.000 0.449 207 E N 0.970 121.133 120.200 -0.063 0.000 2.028 207 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 207 E C -0.096 176.438 176.600 -0.109 0.000 0.988 207 E CA 0.894 57.248 56.400 -0.076 0.000 0.799 207 E CB 0.457 30.103 29.700 -0.089 0.000 0.755 207 E HN 0.244 nan 8.360 nan 0.000 0.447 208 R N -0.331 120.067 120.500 -0.170 0.000 2.837 208 R HA 0.500 4.840 4.340 -0.000 0.000 0.271 208 R C -0.663 175.375 176.300 -0.436 0.000 0.993 208 R CA -0.875 55.032 56.100 -0.323 0.000 0.931 208 R CB 1.778 31.882 30.300 -0.327 0.000 1.206 208 R HN -0.153 nan 8.270 nan 0.000 0.474 209 K N 0.913 120.910 120.400 -0.671 0.000 2.306 209 K HA 0.443 4.763 4.320 -0.000 0.000 0.236 209 K C -0.837 175.478 176.600 -0.475 0.000 1.013 209 K CA -0.734 55.192 56.287 -0.602 0.000 0.857 209 K CB 1.359 33.556 32.500 -0.505 0.000 1.214 209 K HN 0.285 nan 8.250 nan 0.000 0.449 210 F N 1.061 120.969 119.950 -0.071 0.000 2.394 210 F HA 0.146 4.673 4.527 -0.000 0.000 0.340 210 F C 0.586 176.479 175.800 0.154 0.000 1.105 210 F CA -1.016 56.998 58.000 0.023 0.000 1.124 210 F CB 1.143 40.129 39.000 -0.023 0.000 1.145 210 F HN 0.058 nan 8.300 nan 0.000 0.505 211 V N 2.773 122.913 119.914 0.377 0.000 3.032 211 V HA 0.122 4.242 4.120 -0.000 0.000 0.307 211 V C 1.259 177.326 176.094 -0.044 0.000 1.097 211 V CA 0.861 63.291 62.300 0.216 0.000 1.191 211 V CB 0.179 32.073 31.823 0.119 0.000 0.964 211 V HN 1.109 nan 8.190 nan 0.000 0.494 212 G N 1.723 110.219 108.800 -0.506 0.000 2.284 212 G HA2 0.038 3.998 3.960 -0.000 0.000 0.268 212 G HA3 0.038 3.998 3.960 -0.000 0.000 0.268 212 G C 0.942 175.460 174.900 -0.636 0.000 0.980 212 G CA 0.541 45.035 45.100 -1.010 0.000 0.631 212 G HN 2.647 nan 8.290 nan 0.000 0.548 213 G N -2.285 106.419 108.800 -0.159 0.000 2.697 213 G HA2 0.422 4.382 3.960 -0.000 0.000 0.684 213 G HA3 0.422 4.382 3.960 -0.000 0.000 0.684 213 G C 0.622 175.545 174.900 0.038 0.000 1.274 213 G CA 0.717 45.829 45.100 0.020 0.000 0.806 213 G HN 1.733 nan 8.290 nan 0.000 0.644 214 S N 0.272 116.043 115.700 0.118 0.000 2.461 214 S HA 0.149 4.619 4.470 -0.000 0.000 0.228 214 S C 2.592 177.188 174.600 -0.006 0.000 1.005 214 S CA 1.617 59.875 58.200 0.096 0.000 0.942 214 S CB -0.056 63.265 63.200 0.201 0.000 0.776 214 S HN 2.093 nan 8.310 nan 0.000 0.514 215 G N 2.073 110.891 108.800 0.029 0.000 2.574 215 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.220 215 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.220 215 G C 1.399 176.283 174.900 -0.027 0.000 1.173 215 G CA 1.224 46.345 45.100 0.035 0.000 0.772 215 G HN 0.588 nan 8.290 nan 0.000 0.585 216 Q N -0.326 119.428 119.800 -0.077 0.000 2.182 216 Q HA -0.207 4.133 4.340 -0.000 0.000 0.213 216 Q C 2.780 178.698 176.000 -0.138 0.000 1.000 216 Q CA 1.863 57.597 55.803 -0.115 0.000 0.889 216 Q CB -0.564 28.077 28.738 -0.162 0.000 0.932 216 Q HN 0.380 nan 8.270 nan 0.000 0.415 217 V N 0.868 120.664 119.914 -0.197 0.000 2.250 217 V HA -0.364 3.756 4.120 -0.000 0.000 0.253 217 V C 2.419 178.449 176.094 -0.108 0.000 1.065 217 V CA 2.335 64.516 62.300 -0.198 0.000 1.039 217 V CB -0.862 30.837 31.823 -0.208 0.000 0.647 217 V HN 0.604 nan 8.190 nan 0.000 0.446 218 S N -0.603 115.060 115.700 -0.062 0.000 2.425 218 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 218 S C 1.705 176.286 174.600 -0.032 0.000 1.024 218 S CA 0.846 59.025 58.200 -0.035 0.000 0.951 218 S CB -0.348 62.850 63.200 -0.004 0.000 0.796 218 S HN 0.770 nan 8.310 nan 0.000 0.498 219 E N 2.447 122.631 120.200 -0.028 0.000 2.033 219 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 219 E C 2.294 178.869 176.600 -0.042 0.000 1.011 219 E CA 1.241 57.625 56.400 -0.026 0.000 0.815 219 E CB -0.477 29.209 29.700 -0.022 0.000 0.755 219 E HN 0.530 nan 8.360 nan 0.000 0.451 220 R N 0.520 120.985 120.500 -0.058 0.000 2.117 220 R HA -0.104 4.236 4.340 -0.000 0.000 0.243 220 R C 2.526 178.788 176.300 -0.063 0.000 1.143 220 R CA 1.311 57.373 56.100 -0.062 0.000 0.968 220 R CB -0.425 29.830 30.300 -0.076 0.000 0.863 220 R HN 0.290 nan 8.270 nan 0.000 0.444 221 I N 0.581 121.111 120.570 -0.066 0.000 2.353 221 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 221 I C 2.702 178.773 176.117 -0.077 0.000 1.119 221 I CA 0.976 62.233 61.300 -0.072 0.000 1.417 221 I CB -0.264 37.696 38.000 -0.066 0.000 1.078 221 I HN 0.234 nan 8.210 nan 0.000 0.421 222 M N 1.102 120.667 119.600 -0.059 0.000 2.108 222 M HA -0.269 4.211 4.480 -0.000 0.000 0.261 222 M C 1.721 177.988 176.300 -0.056 0.000 1.066 222 M CA 2.043 57.311 55.300 -0.054 0.000 1.107 222 M CB -0.273 32.306 32.600 -0.035 0.000 1.356 222 M HN 0.187 nan 8.290 nan 0.000 0.406 223 D N 0.712 121.083 120.400 -0.049 0.000 2.104 223 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 223 D C 2.095 178.364 176.300 -0.052 0.000 0.994 223 D CA 1.443 55.418 54.000 -0.042 0.000 0.830 223 D CB -0.600 40.178 40.800 -0.037 0.000 0.959 223 D HN 0.449 nan 8.370 nan 0.000 0.452 224 L N 0.370 121.553 121.223 -0.068 0.000 2.261 224 L HA -0.089 4.251 4.340 -0.000 0.000 0.216 224 L C 1.175 177.960 176.870 -0.141 0.000 1.114 224 L CA 0.567 55.356 54.840 -0.085 0.000 0.777 224 L CB -0.232 41.771 42.059 -0.093 0.000 0.910 224 L HN -0.014 nan 8.230 nan 0.000 0.440 225 L N -1.376 119.758 121.223 -0.148 0.000 2.360 225 L HA 0.316 4.656 4.340 -0.000 0.000 0.271 225 L C 1.221 178.044 176.870 -0.079 0.000 1.057 225 L CA -0.455 54.278 54.840 -0.177 0.000 0.803 225 L CB 1.345 43.307 42.059 -0.161 0.000 1.207 225 L HN -0.053 nan 8.230 nan 0.000 0.445 226 G N 0.066 108.840 108.800 -0.044 0.000 2.913 226 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.145 226 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.145 226 G C 0.476 175.374 174.900 -0.003 0.000 1.801 226 G CA 0.033 45.130 45.100 -0.005 0.000 1.033 226 G HN 0.689 nan 8.290 nan 0.000 0.495 227 D N -0.007 120.401 120.400 0.013 0.000 2.348 227 D HA -0.015 4.625 4.640 -0.000 0.000 0.216 227 D C 2.566 178.879 176.300 0.022 0.000 0.970 227 D CA 0.088 54.099 54.000 0.018 0.000 0.889 227 D CB -0.052 40.766 40.800 0.030 0.000 0.912 227 D HN 0.291 nan 8.370 nan 0.000 0.524 228 R N 0.133 120.644 120.500 0.019 0.000 2.204 228 R HA -0.097 4.243 4.340 -0.000 0.000 0.253 228 R C 0.645 176.944 176.300 -0.001 0.000 1.172 228 R CA 0.499 56.612 56.100 0.022 0.000 0.994 228 R CB -0.197 30.112 30.300 0.015 0.000 0.874 228 R HN 0.020 nan 8.270 nan 0.000 0.462 229 V N 3.013 122.918 119.914 -0.016 0.000 2.385 229 V HA 0.083 4.203 4.120 -0.000 0.000 0.269 229 V C -0.088 175.992 176.094 -0.023 0.000 1.043 229 V CA -0.292 61.989 62.300 -0.031 0.000 0.906 229 V CB 1.310 33.113 31.823 -0.034 0.000 0.995 229 V HN 0.074 nan 8.190 nan 0.000 0.467 230 K N 6.886 127.263 120.400 -0.038 0.000 2.316 230 K HA 0.526 4.846 4.320 -0.000 0.000 0.267 230 K C -0.484 176.089 176.600 -0.044 0.000 1.025 230 K CA -0.384 55.889 56.287 -0.024 0.000 0.896 230 K CB 1.848 34.340 32.500 -0.013 0.000 1.124 230 K HN 0.444 nan 8.250 nan 0.000 0.451 231 L N 1.063 122.267 121.223 -0.032 0.000 2.479 231 L HA 0.100 4.440 4.340 -0.000 0.000 0.248 231 L C 0.903 177.743 176.870 -0.050 0.000 1.205 231 L CA -0.248 54.565 54.840 -0.046 0.000 0.817 231 L CB -0.105 41.934 42.059 -0.035 0.000 1.162 231 L HN 0.659 nan 8.230 nan 0.000 0.486 232 E N -0.248 119.910 120.200 -0.070 0.000 2.494 232 E HA -0.214 4.136 4.350 -0.000 0.000 0.249 232 E C -0.522 176.030 176.600 -0.079 0.000 1.184 232 E CA 0.382 56.737 56.400 -0.076 0.000 0.727 232 E CB -0.444 29.232 29.700 -0.041 0.000 1.281 232 E HN 0.263 nan 8.360 nan 0.000 0.405 233 R N -0.394 120.043 120.500 -0.105 0.000 3.472 233 R HA 0.235 4.575 4.340 -0.000 0.000 0.322 233 R C -2.641 173.584 176.300 -0.125 0.000 1.330 233 R CA -2.544 53.499 56.100 -0.096 0.000 1.387 233 R CB 0.053 30.285 30.300 -0.112 0.000 1.446 233 R HN 0.055 nan 8.270 nan 0.000 0.628 234 P HA -0.074 nan 4.420 nan 0.000 0.257 234 P C 0.088 177.360 177.300 -0.047 0.000 1.189 234 P CA 0.244 63.266 63.100 -0.130 0.000 0.780 234 P CB 0.430 32.084 31.700 -0.076 0.000 0.772 235 V N 6.064 125.955 119.914 -0.037 0.000 2.529 235 V HA 0.014 4.134 4.120 -0.000 0.000 0.292 235 V C 1.713 177.823 176.094 0.027 0.000 1.028 235 V CA 0.792 63.082 62.300 -0.016 0.000 1.074 235 V CB 0.476 32.283 31.823 -0.028 0.000 0.958 235 V HN 0.600 nan 8.190 nan 0.000 0.481 236 I N 4.262 124.859 120.570 0.045 0.000 4.139 236 I HA 0.233 4.403 4.170 -0.000 0.000 0.320 236 I C -0.319 175.885 176.117 0.146 0.000 1.290 236 I CA 0.242 61.598 61.300 0.093 0.000 1.253 236 I CB 0.699 38.738 38.000 0.066 0.000 1.122 236 I HN 0.678 nan 8.210 nan 0.000 0.421 237 Y N 1.078 121.326 120.300 -0.086 0.000 2.376 237 Y HA 0.506 5.056 4.550 -0.000 0.000 0.321 237 Y C -1.734 174.084 175.900 -0.136 0.000 1.189 237 Y CA -0.946 57.087 58.100 -0.110 0.000 1.069 237 Y CB 1.060 39.490 38.460 -0.050 0.000 1.292 237 Y HN -0.173 nan 8.280 nan 0.000 0.430 238 I N 5.761 125.870 120.570 -0.769 0.000 2.545 238 I HA 0.336 4.506 4.170 -0.000 0.000 0.292 238 I C -1.427 174.351 176.117 -0.565 0.000 1.040 238 I CA -0.724 60.258 61.300 -0.529 0.000 1.068 238 I CB 1.969 39.748 38.000 -0.370 0.000 1.251 238 I HN 0.585 nan 8.210 nan 0.000 0.424 239 D N 5.877 126.076 120.400 -0.334 0.000 2.469 239 D HA 0.225 4.865 4.640 -0.000 0.000 0.251 239 D C -0.166 176.098 176.300 -0.060 0.000 1.173 239 D CA -0.241 53.634 54.000 -0.208 0.000 0.882 239 D CB 1.502 42.229 40.800 -0.122 0.000 1.129 239 D HN 0.487 nan 8.370 nan 0.000 0.549 240 Q N 1.880 121.667 119.800 -0.022 0.000 2.280 240 Q HA 0.045 4.385 4.340 -0.000 0.000 0.201 240 Q C 1.264 177.268 176.000 0.006 0.000 0.890 240 Q CA -0.004 55.799 55.803 -0.000 0.000 0.947 240 Q CB 0.673 29.421 28.738 0.018 0.000 1.081 240 Q HN 0.467 nan 8.270 nan 0.000 0.502 241 T N 1.215 115.777 114.554 0.013 0.000 2.597 241 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 241 T C 1.324 176.035 174.700 0.017 0.000 1.053 241 T CA 1.513 63.627 62.100 0.023 0.000 1.165 241 T CB 0.132 69.022 68.868 0.038 0.000 0.863 241 T HN 0.298 nan 8.240 nan 0.000 0.427 242 R N 0.043 120.552 120.500 0.015 0.000 2.225 242 R HA 0.329 4.669 4.340 -0.000 0.000 0.139 242 R C 2.182 178.481 176.300 -0.002 0.000 0.745 242 R CA -0.058 56.048 56.100 0.009 0.000 1.634 242 R CB 0.042 30.350 30.300 0.013 0.000 1.019 242 R HN 0.214 nan 8.270 nan 0.000 0.629 243 E N 0.294 120.489 120.200 -0.009 0.000 2.075 243 E HA 0.087 4.437 4.350 -0.000 0.000 0.193 243 E C -0.136 176.438 176.600 -0.044 0.000 0.950 243 E CA -0.068 56.316 56.400 -0.025 0.000 0.859 243 E CB 0.164 29.851 29.700 -0.023 0.000 0.846 243 E HN 0.239 nan 8.360 nan 0.000 0.467 244 N N 1.138 119.816 118.700 -0.035 0.000 2.441 244 N HA 0.020 4.760 4.740 -0.000 0.000 0.251 244 N C -0.639 174.855 175.510 -0.027 0.000 1.242 244 N CA 0.108 53.133 53.050 -0.042 0.000 0.898 244 N CB 0.953 39.428 38.487 -0.020 0.000 1.100 244 N HN -0.112 nan 8.380 nan 0.000 0.443 245 V N 2.277 122.173 119.914 -0.031 0.000 2.686 245 V HA 0.381 4.501 4.120 -0.000 0.000 0.295 245 V C 0.530 176.634 176.094 0.017 0.000 1.057 245 V CA -0.688 61.605 62.300 -0.011 0.000 1.012 245 V CB 0.879 32.694 31.823 -0.012 0.000 1.006 245 V HN 0.329 nan 8.190 nan 0.000 0.477 246 L N 3.973 125.210 121.223 0.022 0.000 2.329 246 L HA 0.752 5.092 4.340 -0.000 0.000 0.279 246 L C -0.678 176.222 176.870 0.050 0.000 1.014 246 L CA -0.729 54.149 54.840 0.062 0.000 0.814 246 L CB 1.763 43.879 42.059 0.095 0.000 1.257 246 L HN 0.351 nan 8.230 nan 0.000 0.424 247 V N 1.538 121.514 119.914 0.104 0.000 2.715 247 V HA 0.556 4.676 4.120 -0.000 0.000 0.310 247 V C -0.478 175.727 176.094 0.185 0.000 1.054 247 V CA -0.591 61.759 62.300 0.083 0.000 0.928 247 V CB 2.267 34.118 31.823 0.045 0.000 1.007 247 V HN 0.885 nan 8.190 nan 0.000 0.437 248 E N 1.226 121.533 120.200 0.178 0.000 2.331 248 E HA 0.553 4.903 4.350 -0.000 0.000 0.275 248 E C -1.434 175.238 176.600 0.119 0.000 0.895 248 E CA -0.508 56.013 56.400 0.202 0.000 0.753 248 E CB 2.445 32.281 29.700 0.227 0.000 1.216 248 E HN 0.643 nan 8.360 nan 0.000 0.434 249 T N 3.922 118.538 114.554 0.103 0.000 2.867 249 T HA 0.153 4.503 4.350 -0.000 0.000 0.282 249 T C 1.105 175.754 174.700 -0.084 0.000 1.000 249 T CA -0.557 61.557 62.100 0.023 0.000 1.042 249 T CB 1.177 70.084 68.868 0.065 0.000 0.973 249 T HN 0.596 nan 8.240 nan 0.000 0.465 250 L N 3.272 124.431 121.223 -0.106 0.000 2.151 250 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 250 L C 2.302 178.962 176.870 -0.349 0.000 1.084 250 L CA 1.712 56.428 54.840 -0.208 0.000 0.764 250 L CB -0.441 41.566 42.059 -0.087 0.000 0.891 250 L HN 0.581 nan 8.230 nan 0.000 0.435 251 N N -0.502 118.102 118.700 -0.161 0.000 2.137 251 N HA -0.254 4.486 4.740 -0.000 0.000 0.190 251 N C 0.089 175.602 175.510 0.005 0.000 1.017 251 N CA 1.515 54.531 53.050 -0.058 0.000 0.859 251 N CB -0.035 38.469 38.487 0.027 0.000 1.002 251 N HN 0.553 nan 8.380 nan 0.000 0.428 252 H N -0.931 118.162 119.070 0.038 0.000 3.165 252 H HA -0.097 4.459 4.556 -0.000 0.000 0.318 252 H C -0.789 174.551 175.328 0.021 0.000 1.349 252 H CA 0.869 56.928 56.048 0.018 0.000 1.246 252 H CB -1.738 28.023 29.762 -0.001 0.000 1.389 252 H HN 0.627 nan 8.280 nan 0.000 0.443 253 E N 0.011 120.292 120.200 0.135 0.000 2.393 253 E HA 0.783 5.133 4.350 -0.000 0.000 0.273 253 E C -0.336 176.328 176.600 0.107 0.000 0.918 253 E CA -1.234 55.210 56.400 0.074 0.000 0.773 253 E CB 2.349 32.072 29.700 0.039 0.000 1.275 253 E HN 0.013 nan 8.360 nan 0.000 0.451 254 M N 1.469 121.047 119.600 -0.037 0.000 2.535 254 M HA 0.447 4.927 4.480 -0.000 0.000 0.314 254 M C -1.537 174.663 176.300 -0.167 0.000 1.153 254 M CA -0.778 54.546 55.300 0.041 0.000 0.924 254 M CB 1.365 33.980 32.600 0.025 0.000 1.710 254 M HN 0.610 nan 8.290 nan 0.000 0.451 255 Y N 0.385 120.704 120.300 0.031 0.000 2.442 255 Y HA 0.478 5.028 4.550 -0.000 0.000 0.344 255 Y C -0.265 175.647 175.900 0.021 0.000 0.976 255 Y CA -0.987 57.127 58.100 0.023 0.000 1.040 255 Y CB 1.739 40.212 38.460 0.020 0.000 1.228 255 Y HN 0.599 nan 8.280 nan 0.000 0.451 256 E N 1.618 121.898 120.200 0.134 0.000 2.277 256 E HA 0.963 5.313 4.350 -0.000 0.000 0.266 256 E C -1.126 175.517 176.600 0.071 0.000 0.901 256 E CA -1.370 55.081 56.400 0.085 0.000 0.782 256 E CB 2.766 32.492 29.700 0.043 0.000 1.228 256 E HN 0.632 nan 8.360 nan 0.000 0.424 257 A N 1.208 124.053 122.820 0.040 0.000 2.524 257 A HA 0.467 4.787 4.320 -0.000 0.000 0.303 257 A C -0.856 176.696 177.584 -0.054 0.000 1.195 257 A CA -0.916 51.134 52.037 0.022 0.000 0.651 257 A CB 1.118 20.154 19.000 0.061 0.000 1.323 257 A HN 0.587 nan 8.150 nan 0.000 0.479 258 K N -0.837 119.496 120.400 -0.112 0.000 2.387 258 K HA 0.457 4.777 4.320 -0.000 0.000 0.203 258 K C -1.371 174.739 176.600 -0.817 0.000 1.030 258 K CA 0.346 56.386 56.287 -0.412 0.000 1.099 258 K CB 0.420 32.667 32.500 -0.421 0.000 0.863 258 K HN 0.494 nan 8.250 nan 0.000 0.529 259 Y N -1.099 119.233 120.300 0.053 0.000 2.702 259 Y HA 0.320 4.870 4.550 -0.000 0.000 0.336 259 Y C -1.157 174.776 175.900 0.055 0.000 1.203 259 Y CA -1.344 56.803 58.100 0.077 0.000 1.072 259 Y CB 1.914 40.403 38.460 0.048 0.000 1.327 259 Y HN -0.380 nan 8.280 nan 0.000 0.456 260 V N 3.229 123.297 119.914 0.257 0.000 2.711 260 V HA 0.442 4.562 4.120 -0.000 0.000 0.304 260 V C -0.812 175.345 176.094 0.104 0.000 1.097 260 V CA -0.691 61.684 62.300 0.125 0.000 0.906 260 V CB 2.038 33.901 31.823 0.068 0.000 1.015 260 V HN 0.543 nan 8.190 nan 0.000 0.427 261 I N 3.605 124.212 120.570 0.062 0.000 2.385 261 I HA 0.499 4.669 4.170 -0.000 0.000 0.294 261 I C 0.315 176.451 176.117 0.033 0.000 0.988 261 I CA -0.045 61.277 61.300 0.036 0.000 1.265 261 I CB 1.976 39.996 38.000 0.033 0.000 1.388 261 I HN 0.683 nan 8.210 nan 0.000 0.480 262 S N 5.038 120.761 115.700 0.039 0.000 2.449 262 S HA 0.659 5.129 4.470 -0.000 0.000 0.310 262 S C 0.152 174.884 174.600 0.219 0.000 1.096 262 S CA -0.408 57.879 58.200 0.146 0.000 1.095 262 S CB 1.707 65.051 63.200 0.240 0.000 1.007 262 S HN 0.725 nan 8.310 nan 0.000 0.474 263 A N 5.157 128.078 122.820 0.168 0.000 2.538 263 A HA 0.427 4.747 4.320 -0.000 0.000 0.269 263 A C 0.612 178.294 177.584 0.163 0.000 1.231 263 A CA -0.451 51.685 52.037 0.165 0.000 0.948 263 A CB -0.252 18.819 19.000 0.118 0.000 1.110 263 A HN 0.849 nan 8.150 nan 0.000 0.529 264 I N 1.736 122.412 120.570 0.176 0.000 2.932 264 I HA 0.026 4.196 4.170 -0.000 0.000 0.295 264 I C -2.055 174.159 176.117 0.161 0.000 1.227 264 I CA -1.134 60.267 61.300 0.168 0.000 1.429 264 I CB 0.515 38.625 38.000 0.184 0.000 1.339 264 I HN 0.106 nan 8.210 nan 0.000 0.589 265 P HA 0.064 nan 4.420 nan 0.000 0.266 265 P C -2.071 175.278 177.300 0.081 0.000 1.195 265 P CA -0.977 62.194 63.100 0.119 0.000 0.768 265 P CB 0.021 31.784 31.700 0.105 0.000 0.838 266 P HA -0.249 nan 4.420 nan 0.000 0.214 266 P C 1.347 178.620 177.300 -0.045 0.000 1.172 266 P CA 2.195 65.282 63.100 -0.020 0.000 0.925 266 P CB -0.655 31.015 31.700 -0.049 0.000 0.793 267 T N -0.097 114.410 114.554 -0.079 0.000 2.714 267 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 267 T C 1.615 176.295 174.700 -0.034 0.000 1.036 267 T CA 1.174 63.217 62.100 -0.095 0.000 1.148 267 T CB -1.046 67.757 68.868 -0.109 0.000 0.856 267 T HN 0.112 nan 8.240 nan 0.000 0.462 268 L N 0.843 122.075 121.223 0.015 0.000 2.633 268 L HA 0.051 4.391 4.340 -0.000 0.000 0.235 268 L C 2.759 179.686 176.870 0.095 0.000 1.163 268 L CA 0.349 55.219 54.840 0.050 0.000 0.859 268 L CB -0.771 41.342 42.059 0.090 0.000 0.973 268 L HN 0.356 nan 8.230 nan 0.000 0.451 269 G N -0.007 108.858 108.800 0.108 0.000 2.450 269 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 269 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 269 G C 1.573 176.599 174.900 0.211 0.000 1.130 269 G CA 0.324 45.550 45.100 0.210 0.000 0.760 269 G HN 0.191 nan 8.290 nan 0.000 0.557 270 M N 0.130 119.777 119.600 0.079 0.000 2.435 270 M HA -0.002 4.478 4.480 -0.000 0.000 0.262 270 M C 1.987 178.297 176.300 0.016 0.000 1.065 270 M CA 0.858 56.176 55.300 0.029 0.000 1.076 270 M CB -0.481 32.099 32.600 -0.034 0.000 1.403 270 M HN 0.039 nan 8.290 nan 0.000 0.454 271 K N 0.550 120.982 120.400 0.054 0.000 2.504 271 K HA 0.203 4.523 4.320 -0.000 0.000 0.195 271 K C 0.579 177.224 176.600 0.074 0.000 1.036 271 K CA 0.373 56.692 56.287 0.054 0.000 0.984 271 K CB -0.123 32.433 32.500 0.092 0.000 0.788 271 K HN 0.344 nan 8.250 nan 0.000 0.488 272 I N 0.072 120.671 120.570 0.049 0.000 2.740 272 I HA 0.147 4.317 4.170 -0.000 0.000 0.303 272 I C -0.155 175.902 176.117 -0.099 0.000 1.044 272 I CA -0.859 60.419 61.300 -0.037 0.000 1.064 272 I CB 1.974 39.822 38.000 -0.253 0.000 1.249 272 I HN 0.021 nan 8.210 nan 0.000 0.433 273 H N 5.013 124.012 119.070 -0.119 0.000 2.519 273 H HA 0.339 4.895 4.556 -0.000 0.000 0.316 273 H C -1.199 174.007 175.328 -0.204 0.000 1.065 273 H CA -0.389 55.663 56.048 0.007 0.000 1.264 273 H CB 1.087 30.959 29.762 0.183 0.000 1.413 273 H HN 0.228 nan 8.280 nan 0.000 0.465 274 F N 2.154 122.143 119.950 0.065 0.000 2.397 274 F HA 0.188 4.715 4.527 -0.000 0.000 0.331 274 F C 0.734 176.526 175.800 -0.014 0.000 1.090 274 F CA -0.641 57.339 58.000 -0.034 0.000 1.065 274 F CB 1.119 40.110 39.000 -0.015 0.000 1.184 274 F HN 0.504 nan 8.300 nan 0.000 0.499 275 N N 3.258 122.001 118.700 0.072 0.000 2.503 275 N HA 0.404 5.144 4.740 -0.000 0.000 0.287 275 N C -3.238 172.300 175.510 0.046 0.000 1.096 275 N CA -2.133 50.965 53.050 0.079 0.000 0.936 275 N CB 2.218 40.765 38.487 0.101 0.000 1.570 275 N HN 0.046 nan 8.380 nan 0.000 0.504 276 P HA 0.335 nan 4.420 nan 0.000 0.275 276 P C -2.612 174.750 177.300 0.104 0.000 1.270 276 P CA -0.906 62.239 63.100 0.076 0.000 0.791 276 P CB -0.612 31.119 31.700 0.051 0.000 1.089 277 P HA 0.097 nan 4.420 nan 0.000 0.268 277 P C -0.164 177.143 177.300 0.012 0.000 1.208 277 P CA 0.261 63.403 63.100 0.069 0.000 0.777 277 P CB 0.170 31.898 31.700 0.047 0.000 0.875 278 L N 3.657 124.846 121.223 -0.057 0.000 2.467 278 L HA 0.224 4.564 4.340 -0.000 0.000 0.270 278 L C -1.656 175.172 176.870 -0.070 0.000 1.205 278 L CA -1.663 53.096 54.840 -0.134 0.000 0.828 278 L CB -0.596 41.299 42.059 -0.274 0.000 1.101 278 L HN 0.314 nan 8.230 nan 0.000 0.479 279 P HA -0.057 nan 4.420 nan 0.000 0.270 279 P C 0.563 177.840 177.300 -0.039 0.000 1.227 279 P CA -0.260 62.817 63.100 -0.038 0.000 0.788 279 P CB 0.420 32.099 31.700 -0.035 0.000 0.926 280 M N 0.969 120.555 119.600 -0.024 0.000 2.059 280 M HA -0.175 4.304 4.480 -0.000 0.000 0.259 280 M C 1.397 177.703 176.300 0.010 0.000 1.072 280 M CA 2.265 57.558 55.300 -0.011 0.000 1.117 280 M CB -0.590 32.006 32.600 -0.007 0.000 1.320 280 M HN 0.079 nan 8.290 nan 0.000 0.408 281 M N 0.405 120.011 119.600 0.010 0.000 2.226 281 M HA -0.270 4.210 4.480 -0.000 0.000 0.257 281 M C 2.324 178.668 176.300 0.073 0.000 1.070 281 M CA 2.384 57.727 55.300 0.072 0.000 1.087 281 M CB -1.851 30.743 32.600 -0.011 0.000 1.278 281 M HN 0.416 nan 8.290 nan 0.000 0.426 282 R N 0.602 121.089 120.500 -0.022 0.000 2.115 282 R HA -0.243 4.097 4.340 -0.000 0.000 0.239 282 R C 2.040 178.267 176.300 -0.121 0.000 1.133 282 R CA 2.440 58.484 56.100 -0.094 0.000 0.935 282 R CB -0.604 29.610 30.300 -0.144 0.000 0.853 282 R HN 0.492 nan 8.270 nan 0.000 0.433 283 N N 0.097 118.730 118.700 -0.112 0.000 2.089 283 N HA -0.276 4.464 4.740 -0.000 0.000 0.198 283 N C 1.615 177.054 175.510 -0.117 0.000 1.017 283 N CA 2.405 55.386 53.050 -0.114 0.000 0.880 283 N CB -0.210 38.233 38.487 -0.074 0.000 1.042 283 N HN 0.474 nan 8.380 nan 0.000 0.446 284 Q N -1.349 118.397 119.800 -0.090 0.000 2.245 284 Q HA -0.057 4.283 4.340 -0.000 0.000 0.201 284 Q C 2.006 177.785 176.000 -0.367 0.000 0.955 284 Q CA 0.829 56.532 55.803 -0.166 0.000 0.870 284 Q CB -0.103 28.601 28.738 -0.057 0.000 0.945 284 Q HN 0.542 nan 8.270 nan 0.000 0.461 285 M N 0.974 120.371 119.600 -0.338 0.000 2.086 285 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 285 M C 1.790 177.864 176.300 -0.375 0.000 1.067 285 M CA 1.582 56.602 55.300 -0.466 0.000 1.116 285 M CB -0.442 32.039 32.600 -0.198 0.000 1.348 285 M HN 0.220 nan 8.290 nan 0.000 0.407 286 I N 0.057 120.465 120.570 -0.269 0.000 2.848 286 I HA -0.296 3.874 4.170 -0.000 0.000 0.271 286 I C 1.619 177.594 176.117 -0.237 0.000 1.248 286 I CA 1.362 62.527 61.300 -0.226 0.000 1.442 286 I CB -0.682 37.215 38.000 -0.171 0.000 1.110 286 I HN 0.408 nan 8.210 nan 0.000 0.479 287 T N -0.757 113.625 114.554 -0.286 0.000 3.044 287 T HA 0.206 4.556 4.350 -0.000 0.000 0.260 287 T C 1.422 175.942 174.700 -0.301 0.000 1.019 287 T CA 0.095 62.044 62.100 -0.252 0.000 0.921 287 T CB 0.134 68.873 68.868 -0.215 0.000 1.053 287 T HN 0.252 nan 8.240 nan 0.000 0.533 288 R N 0.457 120.718 120.500 -0.398 0.000 2.509 288 R HA 0.259 4.599 4.340 -0.000 0.000 0.297 288 R C -0.293 175.682 176.300 -0.541 0.000 0.951 288 R CA 0.049 55.889 56.100 -0.434 0.000 1.103 288 R CB 1.418 31.415 30.300 -0.505 0.000 1.283 288 R HN 0.233 nan 8.270 nan 0.000 0.534 289 V N -0.533 119.040 119.914 -0.569 0.000 2.380 289 V HA 0.534 4.654 4.120 -0.000 0.000 0.272 289 V C -2.725 173.022 176.094 -0.578 0.000 1.011 289 V CA -2.242 59.603 62.300 -0.759 0.000 0.826 289 V CB 1.205 32.508 31.823 -0.865 0.000 1.040 289 V HN -0.108 nan 8.190 nan 0.000 0.441 290 P HA 0.584 nan 4.420 nan 0.000 0.310 290 P C -0.661 176.366 177.300 -0.455 0.000 1.309 290 P CA -0.742 62.061 63.100 -0.495 0.000 0.769 290 P CB 2.017 33.406 31.700 -0.520 0.000 1.327 291 L N -1.232 119.854 121.223 -0.229 0.000 2.319 291 L HA 0.556 4.896 4.340 -0.000 0.000 0.267 291 L C 1.257 178.177 176.870 0.084 0.000 1.011 291 L CA -0.964 53.848 54.840 -0.047 0.000 0.818 291 L CB 1.564 43.626 42.059 0.005 0.000 1.316 291 L HN 0.480 nan 8.230 nan 0.000 0.432 292 G N 0.460 109.335 108.800 0.124 0.000 2.611 292 G HA2 0.372 4.332 3.960 -0.000 0.000 0.273 292 G HA3 0.372 4.332 3.960 -0.000 0.000 0.273 292 G C -0.640 174.270 174.900 0.016 0.000 1.305 292 G CA -0.185 44.955 45.100 0.067 0.000 1.010 292 G HN 0.518 nan 8.290 nan 0.000 0.509 293 S N -1.721 113.957 115.700 -0.037 0.000 2.557 293 S HA 0.663 5.133 4.470 -0.000 0.000 0.291 293 S C -0.994 173.584 174.600 -0.038 0.000 1.116 293 S CA -0.487 57.713 58.200 0.001 0.000 0.992 293 S CB 2.101 65.314 63.200 0.023 0.000 1.028 293 S HN 0.607 nan 8.310 nan 0.000 0.484 294 V N 3.304 123.247 119.914 0.049 0.000 3.023 294 V HA 0.452 4.572 4.120 -0.000 0.000 0.294 294 V C -1.549 174.690 176.094 0.241 0.000 1.324 294 V CA -0.518 61.834 62.300 0.087 0.000 0.979 294 V CB 2.058 33.882 31.823 0.001 0.000 1.093 294 V HN 0.879 nan 8.190 nan 0.000 0.434 295 I N 3.925 124.643 120.570 0.248 0.000 2.406 295 I HA 0.474 4.644 4.170 -0.000 0.000 0.290 295 I C -0.058 176.279 176.117 0.367 0.000 0.999 295 I CA -0.514 60.960 61.300 0.289 0.000 1.124 295 I CB 1.699 39.815 38.000 0.194 0.000 1.289 295 I HN 0.452 nan 8.210 nan 0.000 0.441 296 K N 5.690 126.348 120.400 0.430 0.000 2.234 296 K HA 0.566 4.886 4.320 -0.000 0.000 0.282 296 K C -1.429 175.281 176.600 0.183 0.000 1.039 296 K CA -0.317 56.196 56.287 0.377 0.000 0.928 296 K CB 0.883 33.652 32.500 0.449 0.000 1.039 296 K HN 0.663 nan 8.250 nan 0.000 0.470 297 C N 4.764 124.132 119.300 0.114 0.000 2.563 297 C HA 0.601 5.061 4.460 -0.000 0.000 0.314 297 C C -0.782 174.228 174.990 0.034 0.000 1.199 297 C CA -1.023 58.051 59.018 0.092 0.000 1.564 297 C CB 0.328 28.233 27.740 0.275 0.000 2.173 297 C HN 0.749 nan 8.230 nan 0.000 0.485 298 I N 2.520 123.062 120.570 -0.047 0.000 2.468 298 I HA 0.433 4.603 4.170 -0.000 0.000 0.285 298 I C -0.470 175.555 176.117 -0.152 0.000 1.039 298 I CA -0.069 61.114 61.300 -0.195 0.000 1.074 298 I CB 1.541 39.338 38.000 -0.338 0.000 1.228 298 I HN 0.345 nan 8.210 nan 0.000 0.436 299 V N 6.774 126.596 119.914 -0.153 0.000 2.435 299 V HA 0.424 4.544 4.120 -0.000 0.000 0.290 299 V C -0.924 174.956 176.094 -0.356 0.000 1.030 299 V CA -0.646 61.586 62.300 -0.114 0.000 0.881 299 V CB 1.529 33.313 31.823 -0.065 0.000 0.983 299 V HN 0.435 nan 8.190 nan 0.000 0.445 300 Y N 4.028 124.227 120.300 -0.169 0.000 2.364 300 Y HA 0.625 5.175 4.550 -0.000 0.000 0.340 300 Y C -0.346 175.459 175.900 -0.158 0.000 0.975 300 Y CA -0.407 57.666 58.100 -0.046 0.000 1.089 300 Y CB 1.678 40.200 38.460 0.104 0.000 1.192 300 Y HN 0.536 nan 8.280 nan 0.000 0.454 301 Y N 0.860 121.392 120.300 0.386 0.000 2.650 301 Y HA 0.295 4.845 4.550 -0.000 0.000 0.331 301 Y C 1.291 177.323 175.900 0.221 0.000 1.082 301 Y CA -1.128 57.171 58.100 0.331 0.000 1.171 301 Y CB 1.640 40.378 38.460 0.464 0.000 1.326 301 Y HN 0.517 nan 8.280 nan 0.000 0.513 302 K N 0.262 120.871 120.400 0.348 0.000 2.001 302 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 302 K C -0.600 176.054 176.600 0.090 0.000 1.048 302 K CA 1.651 58.034 56.287 0.161 0.000 0.932 302 K CB 0.185 32.760 32.500 0.124 0.000 0.715 302 K HN 0.768 nan 8.250 nan 0.000 0.437 303 E N -1.025 119.224 120.200 0.081 0.000 2.431 303 E HA 0.265 4.615 4.350 -0.000 0.000 0.268 303 E C -2.617 173.831 176.600 -0.254 0.000 0.953 303 E CA -2.393 53.971 56.400 -0.061 0.000 0.810 303 E CB 1.040 30.680 29.700 -0.101 0.000 1.369 303 E HN -0.137 nan 8.360 nan 0.000 0.440 304 P HA 0.068 nan 4.420 nan 0.000 0.230 304 P C -0.164 176.130 177.300 -1.677 0.000 1.791 304 P CA -0.202 61.920 63.100 -1.630 0.000 1.020 304 P CB -0.780 30.250 31.700 -1.118 0.000 1.977 305 F N 0.107 119.478 119.950 -0.965 0.000 2.147 305 F HA -0.243 4.284 4.527 -0.000 0.000 0.301 305 F C 1.746 177.372 175.800 -0.291 0.000 1.084 305 F CA 0.369 58.113 58.000 -0.427 0.000 1.268 305 F CB -2.030 36.867 39.000 -0.172 0.000 1.009 305 F HN 0.175 nan 8.300 nan 0.000 0.486 306 W N 1.140 122.222 121.300 -0.363 0.000 2.292 306 W HA -0.217 4.443 4.660 -0.000 0.000 0.304 306 W C 2.118 178.607 176.519 -0.051 0.000 1.228 306 W CA 1.309 58.598 57.345 -0.092 0.000 1.241 306 W CB -1.169 28.190 29.460 -0.168 0.000 1.142 306 W HN -0.084 nan 8.180 nan 0.000 0.520 307 R N 1.255 121.571 120.500 -0.306 0.000 2.096 307 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 307 R C 2.213 178.444 176.300 -0.115 0.000 1.127 307 R CA 1.872 57.881 56.100 -0.153 0.000 0.968 307 R CB -0.521 29.645 30.300 -0.224 0.000 0.861 307 R HN 0.221 nan 8.270 nan 0.000 0.440 308 K N 1.027 121.352 120.400 -0.125 0.000 2.113 308 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 308 K C 1.153 177.677 176.600 -0.126 0.000 1.047 308 K CA 1.281 57.509 56.287 -0.098 0.000 0.928 308 K CB -0.116 32.342 32.500 -0.071 0.000 0.716 308 K HN 0.249 nan 8.250 nan 0.000 0.446 309 K N 1.406 121.702 120.400 -0.174 0.000 2.630 309 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 309 K C -0.303 175.964 176.600 -0.555 0.000 1.024 309 K CA 0.234 56.277 56.287 -0.406 0.000 1.157 309 K CB -0.093 32.054 32.500 -0.587 0.000 0.899 309 K HN 0.088 nan 8.250 nan 0.000 0.501 310 D N 0.442 120.697 120.400 -0.242 0.000 2.837 310 D HA -0.219 4.421 4.640 -0.000 0.000 0.230 310 D C -1.347 174.961 176.300 0.014 0.000 1.152 310 D CA 0.998 54.927 54.000 -0.118 0.000 0.736 310 D CB -1.427 39.319 40.800 -0.090 0.000 1.084 310 D HN 0.439 nan 8.370 nan 0.000 0.429 311 Y N -0.395 119.955 120.300 0.083 0.000 2.364 311 Y HA 0.438 4.988 4.550 -0.000 0.000 0.340 311 Y C 1.328 177.321 175.900 0.155 0.000 0.975 311 Y CA -1.488 56.663 58.100 0.085 0.000 1.089 311 Y CB 1.125 39.650 38.460 0.108 0.000 1.192 311 Y HN 0.219 nan 8.280 nan 0.000 0.454 312 C N -0.010 119.431 119.300 0.235 0.000 2.520 312 C HA 0.600 5.060 4.460 -0.000 0.000 0.376 312 C C 1.463 176.479 174.990 0.043 0.000 1.268 312 C CA -0.516 58.629 59.018 0.213 0.000 2.414 312 C CB 0.280 28.060 27.740 0.065 0.000 2.521 312 C HN 1.127 nan 8.230 nan 0.000 0.618 313 G N 1.692 110.397 108.800 -0.159 0.000 3.392 313 G HA2 0.365 4.325 3.960 -0.000 0.000 0.247 313 G HA3 0.365 4.325 3.960 -0.000 0.000 0.247 313 G C 0.250 174.880 174.900 -0.450 0.000 1.161 313 G CA 0.043 44.775 45.100 -0.614 0.000 1.739 313 G HN 0.844 nan 8.290 nan 0.000 0.619 314 T N 1.873 116.237 114.554 -0.318 0.000 2.753 314 T HA 0.462 4.812 4.350 -0.000 0.000 0.297 314 T C 0.248 174.780 174.700 -0.280 0.000 0.981 314 T CA -0.004 61.886 62.100 -0.349 0.000 0.956 314 T CB 0.710 69.406 68.868 -0.287 0.000 0.936 314 T HN 0.158 nan 8.240 nan 0.000 0.463 315 M N 4.161 123.592 119.600 -0.282 0.000 2.364 315 M HA 0.536 5.016 4.480 -0.000 0.000 0.334 315 M C -0.515 175.795 176.300 0.017 0.000 1.107 315 M CA -0.639 54.606 55.300 -0.091 0.000 0.988 315 M CB 1.932 34.501 32.600 -0.052 0.000 1.673 315 M HN 0.357 nan 8.290 nan 0.000 0.441 316 I N 4.729 125.426 120.570 0.211 0.000 2.355 316 I HA 0.456 4.626 4.170 -0.000 0.000 0.288 316 I C -0.769 175.579 176.117 0.385 0.000 0.999 316 I CA -0.451 61.057 61.300 0.346 0.000 1.163 316 I CB 0.914 39.136 38.000 0.371 0.000 1.316 316 I HN 0.622 nan 8.210 nan 0.000 0.454 317 I N 4.936 125.704 120.570 0.330 0.000 2.410 317 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 317 I C -0.507 175.763 176.117 0.255 0.000 1.009 317 I CA -0.581 60.901 61.300 0.304 0.000 1.111 317 I CB 1.846 39.993 38.000 0.244 0.000 1.262 317 I HN 0.463 nan 8.210 nan 0.000 0.443 318 D N 4.367 124.903 120.400 0.227 0.000 2.225 318 D HA 0.666 5.306 4.640 -0.000 0.000 0.249 318 D C 0.168 176.536 176.300 0.115 0.000 1.052 318 D CA 0.622 54.722 54.000 0.166 0.000 0.909 318 D CB 2.107 42.998 40.800 0.152 0.000 1.186 318 D HN 0.853 nan 8.370 nan 0.000 0.431 319 G N 2.195 111.053 108.800 0.097 0.000 2.484 319 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.685 319 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.685 319 G C 0.488 175.437 174.900 0.081 0.000 1.294 319 G CA -0.523 44.623 45.100 0.076 0.000 0.879 319 G HN 0.400 nan 8.290 nan 0.000 0.646 320 E N 0.048 120.294 120.200 0.077 0.000 2.076 320 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 320 E C 2.190 178.835 176.600 0.075 0.000 0.979 320 E CA 1.110 57.568 56.400 0.095 0.000 0.807 320 E CB 0.037 29.798 29.700 0.101 0.000 0.761 320 E HN 0.706 nan 8.360 nan 0.000 0.454 321 E N 0.423 120.660 120.200 0.061 0.000 2.448 321 E HA -0.097 4.253 4.350 -0.000 0.000 0.203 321 E C 0.104 176.728 176.600 0.040 0.000 1.046 321 E CA 0.339 56.768 56.400 0.048 0.000 0.871 321 E CB 0.073 29.800 29.700 0.045 0.000 0.790 321 E HN 0.069 nan 8.360 nan 0.000 0.545 322 A N 0.763 123.611 122.820 0.047 0.000 2.274 322 A HA 0.313 4.633 4.320 -0.000 0.000 0.309 322 A C -1.914 175.675 177.584 0.010 0.000 1.226 322 A CA -1.414 50.642 52.037 0.032 0.000 0.853 322 A CB 0.575 19.616 19.000 0.068 0.000 1.146 322 A HN -0.098 nan 8.150 nan 0.000 0.518 323 P HA 0.028 nan 4.420 nan 0.000 0.222 323 P C -0.101 177.204 177.300 0.009 0.000 1.153 323 P CA 0.794 63.882 63.100 -0.019 0.000 0.798 323 P CB 0.206 31.880 31.700 -0.044 0.000 0.796 324 V N -0.747 119.179 119.914 0.019 0.000 2.709 324 V HA 0.535 4.655 4.120 -0.000 0.000 0.308 324 V C 0.664 176.840 176.094 0.136 0.000 1.062 324 V CA -0.355 61.999 62.300 0.090 0.000 0.901 324 V CB 1.766 33.638 31.823 0.081 0.000 1.003 324 V HN -0.098 nan 8.190 nan 0.000 0.425 325 A N 3.927 126.867 122.820 0.200 0.000 2.197 325 A HA 0.380 4.700 4.320 -0.000 0.000 0.210 325 A C 0.055 177.844 177.584 0.343 0.000 1.180 325 A CA 0.548 52.727 52.037 0.237 0.000 0.846 325 A CB 0.259 19.386 19.000 0.211 0.000 0.884 325 A HN 0.746 nan 8.150 nan 0.000 0.487 326 Y N -1.169 119.242 120.300 0.184 0.000 2.504 326 Y HA 0.584 5.133 4.550 -0.000 0.000 0.344 326 Y C -0.813 175.150 175.900 0.105 0.000 1.023 326 Y CA -0.640 57.558 58.100 0.164 0.000 1.020 326 Y CB 1.934 40.527 38.460 0.221 0.000 1.282 326 Y HN -0.091 nan 8.280 nan 0.000 0.454 327 T N 6.382 120.690 114.554 -0.410 0.000 2.952 327 T HA 0.642 4.992 4.350 -0.000 0.000 0.305 327 T C -1.541 172.808 174.700 -0.585 0.000 1.064 327 T CA -0.546 61.338 62.100 -0.361 0.000 1.008 327 T CB 0.757 69.495 68.868 -0.217 0.000 1.078 327 T HN 0.536 nan 8.240 nan 0.000 0.459 328 L N 2.079 123.045 121.223 -0.430 0.000 2.333 328 L HA 0.563 4.903 4.340 -0.000 0.000 0.263 328 L C -0.388 176.331 176.870 -0.252 0.000 1.014 328 L CA -1.104 53.530 54.840 -0.343 0.000 0.820 328 L CB 2.125 44.039 42.059 -0.241 0.000 1.352 328 L HN 0.574 nan 8.230 nan 0.000 0.421 329 D N 0.568 120.870 120.400 -0.163 0.000 2.351 329 D HA 0.040 4.680 4.640 -0.000 0.000 0.251 329 D C -0.310 176.018 176.300 0.046 0.000 1.137 329 D CA 0.327 54.290 54.000 -0.061 0.000 0.879 329 D CB 1.417 42.271 40.800 0.090 0.000 1.181 329 D HN 0.437 nan 8.370 nan 0.000 0.448 330 D N 1.654 122.084 120.400 0.050 0.000 2.440 330 D HA 0.086 4.726 4.640 -0.000 0.000 0.216 330 D C -0.295 176.088 176.300 0.139 0.000 1.150 330 D CA -0.068 53.980 54.000 0.079 0.000 0.832 330 D CB 0.417 41.204 40.800 -0.022 0.000 0.992 330 D HN 0.257 nan 8.370 nan 0.000 0.502 331 T N 1.676 116.343 114.554 0.188 0.000 2.940 331 T HA 0.020 4.370 4.350 -0.000 0.000 0.309 331 T C 0.652 175.425 174.700 0.120 0.000 1.056 331 T CA -0.093 62.121 62.100 0.189 0.000 1.137 331 T CB 0.800 69.775 68.868 0.178 0.000 0.976 331 T HN -0.086 nan 8.240 nan 0.000 0.547 332 K N 3.369 123.810 120.400 0.067 0.000 2.234 332 K HA 0.064 4.384 4.320 -0.000 0.000 0.251 332 K C -1.659 174.863 176.600 -0.129 0.000 1.011 332 K CA -1.709 54.526 56.287 -0.087 0.000 0.889 332 K CB -0.270 32.199 32.500 -0.051 0.000 1.011 332 K HN 0.278 nan 8.250 nan 0.000 0.505 333 P HA -0.041 nan 4.420 nan 0.000 0.234 333 P C 0.011 177.248 177.300 -0.105 0.000 1.167 333 P CA 1.036 63.952 63.100 -0.308 0.000 0.763 333 P CB 0.298 31.711 31.700 -0.478 0.000 0.835 334 E N -1.788 118.374 120.200 -0.063 0.000 2.481 334 E HA 0.308 4.658 4.350 -0.000 0.000 0.198 334 E C 1.283 177.877 176.600 -0.011 0.000 1.027 334 E CA 0.431 56.818 56.400 -0.022 0.000 0.900 334 E CB -0.212 29.488 29.700 -0.001 0.000 0.993 334 E HN 0.086 nan 8.360 nan 0.000 0.482 335 G N 0.855 109.652 108.800 -0.005 0.000 2.144 335 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 335 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 335 G C 0.849 175.745 174.900 -0.006 0.000 0.988 335 G CA 0.326 45.414 45.100 -0.019 0.000 0.659 335 G HN 0.159 nan 8.290 nan 0.000 0.522 336 N N -0.274 118.455 118.700 0.049 0.000 2.131 336 N HA 0.087 4.827 4.740 -0.000 0.000 0.190 336 N C 0.260 175.823 175.510 0.087 0.000 1.055 336 N CA 0.962 54.064 53.050 0.087 0.000 0.853 336 N CB -0.129 38.506 38.487 0.246 0.000 1.035 336 N HN 0.308 nan 8.380 nan 0.000 0.440 337 Y N 1.257 121.562 120.300 0.009 0.000 2.880 337 Y HA 0.553 5.102 4.550 -0.000 0.000 0.329 337 Y C 0.105 176.129 175.900 0.208 0.000 1.156 337 Y CA -1.458 56.687 58.100 0.076 0.000 1.348 337 Y CB -0.154 38.320 38.460 0.023 0.000 1.280 337 Y HN 0.067 nan 8.280 nan 0.000 0.516 338 A N 2.150 125.127 122.820 0.261 0.000 2.584 338 A HA 0.473 4.793 4.320 -0.000 0.000 0.239 338 A C 0.397 178.255 177.584 0.457 0.000 1.043 338 A CA 0.850 53.055 52.037 0.279 0.000 0.756 338 A CB -0.322 18.755 19.000 0.127 0.000 0.963 338 A HN 0.811 nan 8.150 nan 0.000 0.511 339 A N 2.274 125.336 122.820 0.403 0.000 2.609 339 A HA 0.754 5.074 4.320 -0.000 0.000 0.291 339 A C -0.910 176.684 177.584 0.015 0.000 1.096 339 A CA -0.520 51.607 52.037 0.150 0.000 0.684 339 A CB 0.934 19.781 19.000 -0.254 0.000 1.282 339 A HN 0.835 nan 8.150 nan 0.000 0.412 340 I N 1.617 122.055 120.570 -0.221 0.000 2.498 340 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 340 I C -0.172 175.742 176.117 -0.339 0.000 1.032 340 I CA -0.364 60.685 61.300 -0.417 0.000 1.073 340 I CB 2.010 39.549 38.000 -0.768 0.000 1.251 340 I HN 0.709 nan 8.210 nan 0.000 0.426 341 M N 4.768 124.197 119.600 -0.285 0.000 2.423 341 M HA 0.753 5.233 4.480 -0.000 0.000 0.335 341 M C -0.571 175.588 176.300 -0.235 0.000 1.177 341 M CA -0.232 54.933 55.300 -0.225 0.000 1.038 341 M CB 1.625 34.120 32.600 -0.174 0.000 1.641 341 M HN 0.740 nan 8.290 nan 0.000 0.455 342 G N 3.575 112.248 108.800 -0.211 0.000 2.732 342 G HA2 0.602 4.562 3.960 -0.000 0.000 0.296 342 G HA3 0.602 4.562 3.960 -0.000 0.000 0.296 342 G C -2.220 172.626 174.900 -0.090 0.000 1.448 342 G CA -0.568 44.469 45.100 -0.106 0.000 0.911 342 G HN 0.651 nan 8.290 nan 0.000 0.528 343 F N 0.468 120.541 119.950 0.205 0.000 2.480 343 F HA 0.579 5.106 4.527 -0.000 0.000 0.329 343 F C 0.484 176.368 175.800 0.141 0.000 1.091 343 F CA -0.877 57.239 58.000 0.194 0.000 0.972 343 F CB 2.472 41.607 39.000 0.225 0.000 1.150 343 F HN 0.076 nan 8.300 nan 0.000 0.467 344 I N 5.053 125.817 120.570 0.324 0.000 2.330 344 I HA 0.256 4.426 4.170 -0.000 0.000 0.286 344 I C -0.676 175.495 176.117 0.091 0.000 1.025 344 I CA -0.328 61.072 61.300 0.166 0.000 1.197 344 I CB 0.758 38.833 38.000 0.124 0.000 1.358 344 I HN 0.331 nan 8.210 nan 0.000 0.467 345 L N 6.233 127.469 121.223 0.022 0.000 2.343 345 L HA 0.646 4.986 4.340 -0.000 0.000 0.275 345 L C 1.130 177.928 176.870 -0.121 0.000 1.056 345 L CA -0.321 54.483 54.840 -0.060 0.000 0.804 345 L CB 1.256 43.273 42.059 -0.070 0.000 1.203 345 L HN 0.856 nan 8.230 nan 0.000 0.440 346 A N 2.086 124.837 122.820 -0.115 0.000 5.568 346 A HA -0.357 3.962 4.320 -0.000 0.000 0.322 346 A C 1.775 179.329 177.584 -0.050 0.000 1.802 346 A CA 1.504 53.488 52.037 -0.089 0.000 0.727 346 A CB -1.547 17.391 19.000 -0.103 0.000 1.362 346 A HN 1.123 nan 8.150 nan 0.000 0.396 347 H N 0.501 119.547 119.070 -0.040 0.000 2.362 347 H HA -0.220 4.336 4.556 -0.000 0.000 0.294 347 H C 1.721 177.053 175.328 0.007 0.000 1.113 347 H CA 2.200 58.244 56.048 -0.008 0.000 1.253 347 H CB -0.497 29.265 29.762 0.001 0.000 1.363 347 H HN 0.719 nan 8.280 nan 0.000 0.494 348 K N 0.899 120.908 120.400 -0.652 0.000 2.103 348 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 348 K C 2.650 179.184 176.600 -0.111 0.000 1.048 348 K CA 1.198 57.258 56.287 -0.379 0.000 0.930 348 K CB -0.212 32.057 32.500 -0.386 0.000 0.716 348 K HN 0.419 nan 8.250 nan 0.000 0.444 349 A N 1.842 124.617 122.820 -0.074 0.000 1.978 349 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 349 A C 2.033 179.631 177.584 0.024 0.000 1.170 349 A CA 1.399 53.438 52.037 0.003 0.000 0.636 349 A CB -0.346 18.665 19.000 0.018 0.000 0.810 349 A HN 0.305 nan 8.150 nan 0.000 0.448 350 R N -0.682 119.835 120.500 0.029 0.000 2.100 350 R HA 0.053 4.393 4.340 -0.000 0.000 0.220 350 R C 2.196 178.525 176.300 0.049 0.000 1.091 350 R CA 1.171 57.298 56.100 0.046 0.000 0.986 350 R CB -0.271 30.063 30.300 0.058 0.000 0.888 350 R HN 0.501 nan 8.270 nan 0.000 0.444 351 K N 1.577 122.012 120.400 0.057 0.000 2.002 351 K HA -0.045 4.275 4.320 -0.000 0.000 0.209 351 K C 1.898 178.522 176.600 0.040 0.000 1.048 351 K CA 1.188 57.510 56.287 0.059 0.000 0.930 351 K CB -0.025 32.524 32.500 0.081 0.000 0.714 351 K HN 0.081 nan 8.250 nan 0.000 0.438 352 L N 0.351 121.592 121.223 0.030 0.000 2.376 352 L HA -0.015 4.325 4.340 -0.000 0.000 0.219 352 L C 2.433 179.327 176.870 0.039 0.000 1.133 352 L CA 0.731 55.589 54.840 0.031 0.000 0.816 352 L CB -0.628 41.447 42.059 0.026 0.000 0.933 352 L HN 0.318 nan 8.230 nan 0.000 0.449 353 A N 1.245 124.090 122.820 0.041 0.000 1.948 353 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 353 A C 2.327 179.934 177.584 0.037 0.000 1.177 353 A CA 1.644 53.707 52.037 0.043 0.000 0.636 353 A CB -0.470 18.554 19.000 0.040 0.000 0.815 353 A HN 0.462 nan 8.150 nan 0.000 0.449 354 R N -0.368 120.151 120.500 0.033 0.000 2.193 354 R HA 0.041 4.381 4.340 -0.000 0.000 0.229 354 R C 0.255 176.572 176.300 0.029 0.000 1.110 354 R CA 0.377 56.494 56.100 0.029 0.000 0.988 354 R CB -0.812 29.503 30.300 0.026 0.000 0.871 354 R HN 0.432 nan 8.270 nan 0.000 0.458 355 L N 2.370 123.612 121.223 0.032 0.000 2.452 355 L HA 0.065 4.405 4.340 -0.000 0.000 0.267 355 L C 0.699 177.592 176.870 0.038 0.000 1.188 355 L CA -0.315 54.544 54.840 0.031 0.000 0.821 355 L CB 0.502 42.578 42.059 0.029 0.000 1.102 355 L HN 0.155 nan 8.230 nan 0.000 0.470 356 T N -1.238 113.338 114.554 0.036 0.000 2.900 356 T HA 0.011 4.361 4.350 -0.000 0.000 0.307 356 T C 1.006 175.743 174.700 0.062 0.000 1.065 356 T CA -0.635 61.492 62.100 0.045 0.000 1.105 356 T CB 1.092 69.984 68.868 0.039 0.000 0.979 356 T HN 0.683 nan 8.240 nan 0.000 0.544 357 K N 1.237 121.689 120.400 0.087 0.000 2.097 357 K HA -0.280 4.039 4.320 -0.000 0.000 0.214 357 K C 1.989 178.660 176.600 0.117 0.000 1.052 357 K CA 2.153 58.528 56.287 0.147 0.000 0.932 357 K CB -0.124 32.468 32.500 0.154 0.000 0.716 357 K HN 0.738 nan 8.250 nan 0.000 0.455 358 E N 0.761 121.006 120.200 0.074 0.000 2.023 358 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 358 E C 1.996 178.594 176.600 -0.004 0.000 1.003 358 E CA 1.618 58.037 56.400 0.032 0.000 0.809 358 E CB -0.447 29.274 29.700 0.034 0.000 0.755 358 E HN 0.533 nan 8.360 nan 0.000 0.449 359 E N 0.429 120.635 120.200 0.010 0.000 2.233 359 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 359 E C 2.199 178.787 176.600 -0.021 0.000 1.004 359 E CA 0.975 57.373 56.400 -0.002 0.000 0.819 359 E CB -0.137 29.570 29.700 0.010 0.000 0.738 359 E HN 0.067 nan 8.360 nan 0.000 0.478 360 R N 0.223 120.714 120.500 -0.016 0.000 2.161 360 R HA 0.071 4.411 4.340 -0.000 0.000 0.213 360 R C 2.239 178.454 176.300 -0.141 0.000 1.055 360 R CA 0.156 56.238 56.100 -0.031 0.000 0.996 360 R CB 0.076 30.406 30.300 0.051 0.000 0.901 360 R HN 0.159 nan 8.270 nan 0.000 0.456 361 L N 0.693 121.771 121.223 -0.242 0.000 2.027 361 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 361 L C 2.282 179.023 176.870 -0.216 0.000 1.074 361 L CA 1.491 56.070 54.840 -0.435 0.000 0.745 361 L CB -0.264 41.522 42.059 -0.455 0.000 0.898 361 L HN 0.172 nan 8.230 nan 0.000 0.433 362 K N 0.040 120.365 120.400 -0.124 0.000 2.020 362 K HA -0.253 4.066 4.320 -0.000 0.000 0.212 362 K C 2.134 178.688 176.600 -0.076 0.000 1.050 362 K CA 1.728 57.975 56.287 -0.068 0.000 0.929 362 K CB 0.031 32.508 32.500 -0.039 0.000 0.714 362 K HN 0.231 nan 8.250 nan 0.000 0.443 363 K N 0.564 120.911 120.400 -0.088 0.000 2.002 363 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 363 K C 2.266 178.770 176.600 -0.160 0.000 1.048 363 K CA 1.393 57.624 56.287 -0.094 0.000 0.930 363 K CB -0.324 32.133 32.500 -0.072 0.000 0.714 363 K HN 0.212 nan 8.250 nan 0.000 0.438 364 L N 1.037 122.142 121.223 -0.198 0.000 1.978 364 L HA -0.325 4.015 4.340 -0.000 0.000 0.218 364 L C 2.824 179.470 176.870 -0.373 0.000 1.075 364 L CA 1.537 56.169 54.840 -0.347 0.000 0.767 364 L CB -0.923 41.030 42.059 -0.177 0.000 0.890 364 L HN 0.371 nan 8.230 nan 0.000 0.434 365 C N 0.094 119.363 119.300 -0.052 0.000 2.458 365 C HA -0.228 4.232 4.460 -0.000 0.000 0.284 365 C C 2.539 177.561 174.990 0.053 0.000 1.191 365 C CA 1.060 60.165 59.018 0.145 0.000 1.781 365 C CB -1.111 26.705 27.740 0.126 0.000 1.996 365 C HN 0.554 nan 8.230 nan 0.000 0.431 366 E N 0.120 120.320 120.200 -0.000 0.000 2.196 366 E HA -0.366 3.984 4.350 -0.000 0.000 0.222 366 E C 1.843 178.416 176.600 -0.045 0.000 1.072 366 E CA 2.003 58.394 56.400 -0.015 0.000 0.902 366 E CB -0.590 29.094 29.700 -0.026 0.000 0.780 366 E HN 0.532 nan 8.360 nan 0.000 0.467 367 L N 0.484 121.623 121.223 -0.139 0.000 1.990 367 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 367 L C 2.147 178.950 176.870 -0.111 0.000 1.072 367 L CA 1.911 56.640 54.840 -0.186 0.000 0.755 367 L CB -0.922 40.916 42.059 -0.369 0.000 0.889 367 L HN 0.233 nan 8.230 nan 0.000 0.432 368 Y N -0.740 119.558 120.300 -0.005 0.000 2.224 368 Y HA -0.180 4.370 4.550 -0.000 0.000 0.289 368 Y C 2.490 178.397 175.900 0.011 0.000 1.146 368 Y CA 0.672 58.767 58.100 -0.008 0.000 1.182 368 Y CB -0.513 37.975 38.460 0.047 0.000 0.983 368 Y HN 0.372 nan 8.280 nan 0.000 0.524 369 A N 0.270 123.189 122.820 0.166 0.000 1.933 369 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 369 A C 2.180 179.790 177.584 0.044 0.000 1.175 369 A CA 1.735 53.826 52.037 0.089 0.000 0.628 369 A CB -0.471 18.561 19.000 0.052 0.000 0.814 369 A HN 0.363 nan 8.150 nan 0.000 0.444 370 K N -0.424 119.981 120.400 0.009 0.000 2.062 370 K HA -0.021 4.299 4.320 -0.000 0.000 0.205 370 K C 1.824 178.356 176.600 -0.113 0.000 1.051 370 K CA 1.387 57.654 56.287 -0.033 0.000 0.941 370 K CB -0.123 32.358 32.500 -0.032 0.000 0.719 370 K HN 0.273 nan 8.250 nan 0.000 0.440 371 V N 1.548 121.352 119.914 -0.184 0.000 2.407 371 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 371 V C 2.237 178.239 176.094 -0.153 0.000 1.041 371 V CA 1.228 63.316 62.300 -0.354 0.000 1.040 371 V CB -0.199 31.455 31.823 -0.281 0.000 0.671 371 V HN 0.300 nan 8.190 nan 0.000 0.455 372 L N 0.306 121.521 121.223 -0.014 0.000 2.240 372 L HA 0.195 4.535 4.340 -0.000 0.000 0.211 372 L C 1.465 178.466 176.870 0.218 0.000 1.106 372 L CA 1.012 55.922 54.840 0.118 0.000 0.793 372 L CB -0.616 41.600 42.059 0.263 0.000 0.927 372 L HN 0.601 nan 8.230 nan 0.000 0.446 373 G N 1.087 109.957 108.800 0.117 0.000 2.422 373 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.290 373 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.290 373 G C -0.305 174.647 174.900 0.088 0.000 1.059 373 G CA 0.282 45.442 45.100 0.100 0.000 1.242 373 G HN 0.338 nan 8.290 nan 0.000 0.520 374 S N -0.042 115.675 115.700 0.027 0.000 2.584 374 S HA 0.346 4.816 4.470 -0.000 0.000 0.282 374 S C 0.976 175.478 174.600 -0.163 0.000 1.138 374 S CA -0.428 57.723 58.200 -0.081 0.000 0.987 374 S CB 1.318 64.424 63.200 -0.157 0.000 1.137 374 S HN 0.392 nan 8.310 nan 0.000 0.457 375 L N 1.896 123.039 121.223 -0.133 0.000 2.151 375 L HA -0.242 4.098 4.340 -0.000 0.000 0.215 375 L C 2.592 179.335 176.870 -0.212 0.000 1.084 375 L CA 1.593 56.360 54.840 -0.122 0.000 0.764 375 L CB -0.467 41.540 42.059 -0.086 0.000 0.891 375 L HN 0.750 nan 8.230 nan 0.000 0.435 376 E N 0.093 120.045 120.200 -0.412 0.000 2.097 376 E HA -0.289 4.061 4.350 -0.000 0.000 0.196 376 E C 2.214 178.473 176.600 -0.569 0.000 1.000 376 E CA 1.407 57.444 56.400 -0.605 0.000 0.804 376 E CB -0.317 28.719 29.700 -1.107 0.000 0.740 376 E HN 0.594 nan 8.360 nan 0.000 0.454 377 A N 1.641 124.080 122.820 -0.636 0.000 2.131 377 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 377 A C 2.117 179.850 177.584 0.247 0.000 1.158 377 A CA 0.776 52.743 52.037 -0.117 0.000 0.665 377 A CB -0.514 18.591 19.000 0.174 0.000 0.795 377 A HN 0.161 nan 8.150 nan 0.000 0.460 378 L N -1.031 120.243 121.223 0.085 0.000 2.622 378 L HA 0.013 4.353 4.340 -0.000 0.000 0.233 378 L C 0.456 177.425 176.870 0.165 0.000 1.156 378 L CA 0.820 55.734 54.840 0.122 0.000 0.866 378 L CB -0.333 41.753 42.059 0.045 0.000 0.980 378 L HN 0.433 nan 8.230 nan 0.000 0.448 379 E N 0.593 120.950 120.200 0.261 0.000 3.588 379 E HA 0.189 4.539 4.350 -0.000 0.000 0.213 379 E C -2.150 174.648 176.600 0.330 0.000 1.168 379 E CA -1.654 54.887 56.400 0.235 0.000 1.254 379 E CB 0.907 30.698 29.700 0.152 0.000 1.302 379 E HN 0.125 nan 8.360 nan 0.000 0.429 380 P HA -0.037 nan 4.420 nan 0.000 0.271 380 P C 0.257 177.588 177.300 0.052 0.000 1.233 380 P CA -0.046 63.003 63.100 -0.084 0.000 0.789 380 P CB 1.700 33.326 31.700 -0.124 0.000 0.951 381 V N -0.709 119.245 119.914 0.067 0.000 3.411 381 V HA 0.200 4.320 4.120 -0.000 0.000 0.287 381 V C 0.038 176.271 176.094 0.232 0.000 1.543 381 V CA 0.375 62.758 62.300 0.138 0.000 1.028 381 V CB -0.349 31.560 31.823 0.144 0.000 0.840 381 V HN 0.748 nan 8.190 nan 0.000 0.435 382 H N -0.856 118.286 119.070 0.121 0.000 3.057 382 H HA 0.292 4.848 4.556 -0.000 0.000 0.308 382 H C -2.497 173.045 175.328 0.357 0.000 1.276 382 H CA -0.319 55.840 56.048 0.185 0.000 1.325 382 H CB 1.672 31.495 29.762 0.101 0.000 1.963 382 H HN 0.055 nan 8.280 nan 0.000 0.524 383 Y N 2.942 122.940 120.300 -0.503 0.000 2.512 383 Y HA 0.459 5.009 4.550 -0.000 0.000 0.348 383 Y C -1.338 174.341 175.900 -0.368 0.000 0.990 383 Y CA -0.570 57.346 58.100 -0.306 0.000 1.033 383 Y CB 1.800 40.183 38.460 -0.128 0.000 1.259 383 Y HN 0.589 nan 8.280 nan 0.000 0.461 384 E N 3.895 123.669 120.200 -0.711 0.000 2.308 384 E HA 0.315 4.665 4.350 -0.000 0.000 0.275 384 E C -1.677 174.494 176.600 -0.715 0.000 0.890 384 E CA -0.684 55.381 56.400 -0.558 0.000 0.754 384 E CB 2.547 32.156 29.700 -0.152 0.000 1.207 384 E HN 0.784 nan 8.360 nan 0.000 0.426 385 E N 0.926 120.834 120.200 -0.487 0.000 2.372 385 E HA 0.642 4.992 4.350 -0.000 0.000 0.279 385 E C -1.307 175.235 176.600 -0.097 0.000 0.946 385 E CA -1.009 55.218 56.400 -0.288 0.000 0.769 385 E CB 2.458 31.972 29.700 -0.310 0.000 1.230 385 E HN 0.146 nan 8.360 nan 0.000 0.442 386 K N 1.576 121.982 120.400 0.011 0.000 2.427 386 K HA 0.372 4.692 4.320 -0.000 0.000 0.252 386 K C -1.504 175.094 176.600 -0.003 0.000 0.931 386 K CA -0.727 55.535 56.287 -0.042 0.000 0.793 386 K CB 1.600 34.064 32.500 -0.061 0.000 1.211 386 K HN 0.495 nan 8.250 nan 0.000 0.426 387 N N 4.550 123.184 118.700 -0.110 0.000 2.816 387 N HA 0.151 4.891 4.740 -0.000 0.000 0.236 387 N C -0.387 175.086 175.510 -0.061 0.000 1.076 387 N CA -0.603 52.449 53.050 0.003 0.000 0.902 387 N CB 0.118 38.614 38.487 0.015 0.000 1.149 387 N HN 0.679 nan 8.380 nan 0.000 0.506 388 W N 1.898 123.249 121.300 0.085 0.000 2.331 388 W HA -0.152 4.508 4.660 -0.000 0.000 0.291 388 W C 2.195 178.743 176.519 0.048 0.000 1.214 388 W CA 0.312 57.702 57.345 0.075 0.000 1.228 388 W CB -0.846 28.673 29.460 0.097 0.000 1.135 388 W HN 0.514 nan 8.180 nan 0.000 0.537 389 C N 0.690 120.117 119.300 0.212 0.000 2.393 389 C HA -0.275 4.185 4.460 -0.000 0.000 0.275 389 C C 2.032 177.062 174.990 0.067 0.000 1.170 389 C CA 1.888 60.977 59.018 0.117 0.000 1.827 389 C CB -1.584 26.206 27.740 0.084 0.000 2.131 389 C HN 0.502 nan 8.230 nan 0.000 0.474 390 E N 0.351 120.567 120.200 0.027 0.000 2.403 390 E HA 0.099 4.449 4.350 -0.000 0.000 0.188 390 E C -0.156 176.435 176.600 -0.017 0.000 1.056 390 E CA 0.117 56.514 56.400 -0.006 0.000 0.892 390 E CB -0.093 29.589 29.700 -0.029 0.000 1.049 390 E HN 0.585 nan 8.360 nan 0.000 0.465 391 E N 2.038 122.249 120.200 0.018 0.000 2.081 391 E HA 0.006 4.356 4.350 -0.000 0.000 0.276 391 E C 0.452 177.064 176.600 0.019 0.000 0.950 391 E CA -0.206 56.209 56.400 0.026 0.000 0.776 391 E CB 1.787 31.535 29.700 0.079 0.000 1.094 391 E HN 0.273 nan 8.360 nan 0.000 0.402 392 Q N 3.059 122.829 119.800 -0.051 0.000 2.112 392 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 392 Q C 0.340 176.159 176.000 -0.302 0.000 0.987 392 Q CA 1.865 57.537 55.803 -0.219 0.000 0.858 392 Q CB -0.009 28.523 28.738 -0.342 0.000 0.905 392 Q HN 0.572 nan 8.270 nan 0.000 0.420 393 Y N -0.461 119.866 120.300 0.044 0.000 2.583 393 Y HA 0.308 4.858 4.550 -0.000 0.000 0.294 393 Y C 1.183 177.138 175.900 0.092 0.000 1.170 393 Y CA -0.103 58.031 58.100 0.057 0.000 1.265 393 Y CB 0.716 39.202 38.460 0.043 0.000 1.119 393 Y HN 0.088 nan 8.280 nan 0.000 0.522 394 S N -2.004 113.806 115.700 0.185 0.000 3.019 394 S HA 0.336 4.806 4.470 -0.000 0.000 0.258 394 S C 1.714 176.400 174.600 0.144 0.000 1.082 394 S CA 0.547 58.870 58.200 0.205 0.000 0.836 394 S CB 0.606 64.001 63.200 0.324 0.000 0.834 394 S HN 0.508 nan 8.310 nan 0.000 0.457 395 G N 0.807 109.676 108.800 0.115 0.000 2.254 395 G HA2 0.108 4.068 3.960 -0.000 0.000 0.225 395 G HA3 0.108 4.068 3.960 -0.000 0.000 0.225 395 G C 0.572 175.523 174.900 0.085 0.000 1.003 395 G CA 0.149 45.285 45.100 0.060 0.000 0.622 395 G HN 1.439 nan 8.290 nan 0.000 0.507 396 G N -2.086 106.806 108.800 0.153 0.000 2.356 396 G HA2 0.503 4.463 3.960 -0.000 0.000 0.266 396 G HA3 0.503 4.463 3.960 -0.000 0.000 0.266 396 G C -0.908 174.086 174.900 0.158 0.000 1.312 396 G CA 0.410 45.610 45.100 0.166 0.000 0.922 396 G HN 1.444 nan 8.290 nan 0.000 0.480 397 C N -1.744 117.598 119.300 0.071 0.000 3.323 397 C HA 0.775 5.235 4.460 -0.000 0.000 0.324 397 C C 0.871 175.828 174.990 -0.055 0.000 1.428 397 C CA 0.182 59.187 59.018 -0.022 0.000 1.368 397 C CB 0.529 28.159 27.740 -0.184 0.000 1.731 397 C HN 1.227 nan 8.230 nan 0.000 0.455 398 Y N 0.581 120.778 120.300 -0.171 0.000 2.735 398 Y HA -0.319 4.231 4.550 -0.000 0.000 0.477 398 Y C 1.122 177.036 175.900 0.022 0.000 1.079 398 Y CA 1.890 59.929 58.100 -0.101 0.000 2.940 398 Y CB -2.640 35.759 38.460 -0.102 0.000 1.085 398 Y HN 0.791 nan 8.280 nan 0.000 0.603 399 T N -2.112 112.590 114.554 0.248 0.000 2.565 399 T HA 0.629 4.979 4.350 -0.000 0.000 0.266 399 T C -0.330 174.499 174.700 0.214 0.000 0.905 399 T CA -0.302 61.957 62.100 0.265 0.000 1.122 399 T CB 1.964 71.083 68.868 0.419 0.000 1.437 399 T HN 0.260 nan 8.240 nan 0.000 0.506 400 T N 1.893 116.602 114.554 0.259 0.000 2.875 400 T HA 0.622 4.972 4.350 -0.000 0.000 0.284 400 T C -1.058 173.749 174.700 0.178 0.000 0.995 400 T CA -0.503 61.665 62.100 0.114 0.000 1.060 400 T CB 0.084 69.026 68.868 0.124 0.000 0.967 400 T HN 0.595 nan 8.240 nan 0.000 0.476 401 Y N 0.200 120.349 120.300 -0.251 0.000 2.598 401 Y HA 0.838 5.388 4.550 -0.000 0.000 0.340 401 Y C -1.469 173.918 175.900 -0.855 0.000 1.038 401 Y CA -2.229 55.371 58.100 -0.832 0.000 1.100 401 Y CB 0.862 38.916 38.460 -0.676 0.000 1.281 401 Y HN 0.398 nan 8.280 nan 0.000 0.488 402 F N 2.927 122.049 119.950 -1.379 0.000 2.402 402 F HA 0.589 5.116 4.527 -0.000 0.000 0.355 402 F C -2.346 173.315 175.800 -0.231 0.000 1.123 402 F CA -2.878 54.722 58.000 -0.667 0.000 1.021 402 F CB 1.548 40.179 39.000 -0.615 0.000 1.160 402 F HN 0.320 nan 8.300 nan 0.000 0.451 403 P HA 0.167 nan 4.420 nan 0.000 0.273 403 P C -2.091 175.273 177.300 0.107 0.000 1.250 403 P CA -1.186 61.968 63.100 0.090 0.000 0.793 403 P CB 0.361 32.075 31.700 0.024 0.000 1.011 404 P HA -0.231 nan 4.420 nan 0.000 0.219 404 P C 1.499 178.877 177.300 0.130 0.000 1.161 404 P CA 2.546 65.723 63.100 0.128 0.000 0.909 404 P CB -0.655 31.102 31.700 0.096 0.000 0.793 405 G N -2.214 106.647 108.800 0.102 0.000 2.625 405 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.214 405 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.214 405 G C 1.249 176.242 174.900 0.155 0.000 1.132 405 G CA 0.420 45.587 45.100 0.112 0.000 0.782 405 G HN 0.272 nan 8.290 nan 0.000 0.538 406 I N -1.228 119.459 120.570 0.195 0.000 3.366 406 I HA 0.206 4.376 4.170 -0.000 0.000 0.267 406 I C 2.184 178.508 176.117 0.344 0.000 1.149 406 I CA -0.264 61.201 61.300 0.274 0.000 1.436 406 I CB -0.193 37.902 38.000 0.158 0.000 1.379 406 I HN 0.019 nan 8.210 nan 0.000 0.460 407 L N 1.030 122.487 121.223 0.390 0.000 1.997 407 L HA -0.329 4.011 4.340 -0.000 0.000 0.227 407 L C 2.453 179.399 176.870 0.127 0.000 1.087 407 L CA 2.424 57.369 54.840 0.175 0.000 0.797 407 L CB -1.264 40.831 42.059 0.061 0.000 0.902 407 L HN 0.263 nan 8.230 nan 0.000 0.441 408 T N -0.922 113.719 114.554 0.144 0.000 2.701 408 T HA -0.301 4.049 4.350 -0.000 0.000 0.265 408 T C 1.726 176.395 174.700 -0.052 0.000 1.032 408 T CA 2.182 64.332 62.100 0.083 0.000 1.158 408 T CB -0.131 68.791 68.868 0.090 0.000 0.854 408 T HN 0.526 nan 8.240 nan 0.000 0.463 409 Q N -1.787 117.984 119.800 -0.049 0.000 2.462 409 Q HA 0.133 4.473 4.340 -0.000 0.000 0.224 409 Q C 1.449 177.215 176.000 -0.391 0.000 0.911 409 Q CA 0.609 56.265 55.803 -0.245 0.000 0.925 409 Q CB 0.324 28.877 28.738 -0.309 0.000 1.063 409 Q HN 0.626 nan 8.270 nan 0.000 0.572 410 Y N 0.070 120.296 120.300 -0.124 0.000 2.458 410 Y HA 0.193 4.743 4.550 -0.000 0.000 0.256 410 Y C 2.083 177.864 175.900 -0.199 0.000 1.159 410 Y CA 0.197 58.212 58.100 -0.142 0.000 1.261 410 Y CB 0.136 38.548 38.460 -0.080 0.000 1.119 410 Y HN 0.140 nan 8.280 nan 0.000 0.524 411 G N 1.678 110.383 108.800 -0.159 0.000 2.514 411 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 411 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 411 G C 1.539 175.956 174.900 -0.805 0.000 1.198 411 G CA 0.960 45.830 45.100 -0.382 0.000 0.780 411 G HN 0.470 nan 8.290 nan 0.000 0.565 412 R N 0.522 120.195 120.500 -1.378 0.000 2.362 412 R HA 0.199 4.539 4.340 -0.000 0.000 0.204 412 R C 0.972 177.063 176.300 -0.348 0.000 1.088 412 R CA 0.358 55.831 56.100 -1.044 0.000 1.121 412 R CB -0.227 29.537 30.300 -0.893 0.000 0.954 412 R HN 0.306 nan 8.270 nan 0.000 0.478 413 V N 0.463 120.235 119.914 -0.237 0.000 3.523 413 V HA -0.016 4.104 4.120 -0.000 0.000 0.255 413 V C 2.164 178.211 176.094 -0.077 0.000 1.226 413 V CA 0.203 62.436 62.300 -0.112 0.000 1.092 413 V CB -0.034 31.737 31.823 -0.086 0.000 0.817 413 V HN 0.307 nan 8.190 nan 0.000 0.458 414 L N 1.107 122.307 121.223 -0.039 0.000 2.064 414 L HA -0.223 4.117 4.340 -0.000 0.000 0.216 414 L C 2.341 179.186 176.870 -0.042 0.000 1.077 414 L CA 2.374 57.201 54.840 -0.022 0.000 0.766 414 L CB -0.181 41.953 42.059 0.124 0.000 0.890 414 L HN 0.475 nan 8.230 nan 0.000 0.435 415 R N -1.219 119.343 120.500 0.103 0.000 2.596 415 R HA 0.179 4.519 4.340 -0.000 0.000 0.369 415 R C 0.318 176.779 176.300 0.268 0.000 1.042 415 R CA -0.265 55.971 56.100 0.226 0.000 1.120 415 R CB 0.069 30.552 30.300 0.305 0.000 1.353 415 R HN 0.226 nan 8.270 nan 0.000 0.564 416 Q N 2.684 122.589 119.800 0.175 0.000 2.289 416 Q HA 0.203 4.543 4.340 -0.000 0.000 0.273 416 Q C -2.123 174.008 176.000 0.217 0.000 1.029 416 Q CA -1.833 54.062 55.803 0.153 0.000 0.896 416 Q CB 1.175 29.954 28.738 0.069 0.000 1.182 416 Q HN 0.114 nan 8.270 nan 0.000 0.385 417 P HA 0.041 nan 4.420 nan 0.000 0.275 417 P C -1.145 176.106 177.300 -0.081 0.000 1.228 417 P CA -0.161 62.866 63.100 -0.122 0.000 0.786 417 P CB 0.716 32.142 31.700 -0.457 0.000 0.927 418 V N 3.404 123.249 119.914 -0.114 0.000 2.293 418 V HA 0.138 4.258 4.120 -0.000 0.000 0.275 418 V C 0.738 176.765 176.094 -0.112 0.000 1.021 418 V CA 0.174 62.438 62.300 -0.060 0.000 0.815 418 V CB 0.148 31.981 31.823 0.016 0.000 1.025 418 V HN 0.739 nan 8.190 nan 0.000 0.448 419 D N 4.010 124.357 120.400 -0.088 0.000 4.541 419 D HA -0.308 4.332 4.640 -0.000 0.000 0.209 419 D C 1.427 177.697 176.300 -0.050 0.000 0.584 419 D CA 2.549 56.521 54.000 -0.047 0.000 1.297 419 D CB -0.240 40.554 40.800 -0.009 0.000 0.807 419 D HN 0.611 nan 8.370 nan 0.000 0.433 420 R N -0.279 120.221 120.500 -0.001 0.000 2.543 420 R HA 0.441 4.781 4.340 -0.000 0.000 0.323 420 R C -0.280 176.138 176.300 0.197 0.000 1.002 420 R CA -0.196 56.018 56.100 0.189 0.000 1.106 420 R CB 0.730 31.105 30.300 0.126 0.000 1.280 420 R HN 0.281 nan 8.270 nan 0.000 0.549 421 I N 1.673 122.187 120.570 -0.094 0.000 2.331 421 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 421 I C -0.476 175.348 176.117 -0.488 0.000 0.998 421 I CA -0.489 60.698 61.300 -0.187 0.000 1.267 421 I CB 0.614 38.456 38.000 -0.264 0.000 1.386 421 I HN -0.044 nan 8.210 nan 0.000 0.476 422 Y N 5.454 125.550 120.300 -0.339 0.000 2.631 422 Y HA 0.564 5.113 4.550 -0.000 0.000 0.328 422 Y C -0.527 175.081 175.900 -0.487 0.000 1.118 422 Y CA -1.027 56.886 58.100 -0.311 0.000 1.206 422 Y CB 1.362 39.756 38.460 -0.110 0.000 1.337 422 Y HN 0.265 nan 8.280 nan 0.000 0.515 423 F N 0.412 120.491 119.950 0.214 0.000 2.539 423 F HA 0.660 5.187 4.527 -0.000 0.000 0.328 423 F C 0.312 176.198 175.800 0.143 0.000 1.148 423 F CA -0.693 57.400 58.000 0.155 0.000 0.940 423 F CB 1.331 40.408 39.000 0.128 0.000 1.194 423 F HN 0.619 nan 8.300 nan 0.000 0.438 424 A N 2.567 125.567 122.820 0.299 0.000 3.516 424 A HA 0.911 5.231 4.320 -0.000 0.000 0.164 424 A C 0.548 178.272 177.584 0.234 0.000 1.887 424 A CA -0.234 51.932 52.037 0.215 0.000 0.978 424 A CB -0.530 18.552 19.000 0.138 0.000 1.863 424 A HN 1.531 nan 8.150 nan 0.000 0.697 425 G N -2.509 106.406 108.800 0.192 0.000 2.879 425 G HA2 0.077 4.037 3.960 -0.000 0.000 0.686 425 G HA3 0.077 4.037 3.960 -0.000 0.000 0.686 425 G C 0.456 175.488 174.900 0.220 0.000 1.115 425 G CA 0.706 45.924 45.100 0.197 0.000 0.770 425 G HN 1.700 nan 8.290 nan 0.000 0.601 426 T N -0.146 114.540 114.554 0.219 0.000 2.803 426 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 426 T C 1.940 176.828 174.700 0.313 0.000 1.052 426 T CA 2.340 64.591 62.100 0.251 0.000 1.136 426 T CB -0.305 68.713 68.868 0.250 0.000 0.864 426 T HN 0.711 nan 8.240 nan 0.000 0.467 427 E N -0.066 120.327 120.200 0.321 0.000 2.515 427 E HA -0.038 4.312 4.350 -0.000 0.000 0.201 427 E C 1.501 178.338 176.600 0.394 0.000 1.071 427 E CA 0.620 57.260 56.400 0.400 0.000 0.880 427 E CB -0.266 29.646 29.700 0.353 0.000 0.828 427 E HN 0.388 nan 8.360 nan 0.000 0.540 428 T N -0.024 114.733 114.554 0.338 0.000 3.023 428 T HA 0.283 4.633 4.350 -0.000 0.000 0.253 428 T C 0.761 175.678 174.700 0.362 0.000 1.038 428 T CA 0.258 62.556 62.100 0.330 0.000 0.962 428 T CB 0.276 69.315 68.868 0.286 0.000 1.018 428 T HN 0.263 nan 8.240 nan 0.000 0.521 429 A N 0.279 123.311 122.820 0.354 0.000 2.495 429 A HA 0.569 4.889 4.320 -0.000 0.000 0.260 429 A C 1.300 179.099 177.584 0.358 0.000 1.608 429 A CA 0.282 52.521 52.037 0.338 0.000 0.834 429 A CB -0.096 19.068 19.000 0.273 0.000 1.526 429 A HN 0.270 nan 8.150 nan 0.000 0.578 430 T N -2.318 112.394 114.554 0.263 0.000 3.172 430 T HA 0.188 4.538 4.350 -0.000 0.000 0.261 430 T C -0.168 174.534 174.700 0.002 0.000 0.854 430 T CA 0.155 62.358 62.100 0.172 0.000 0.848 430 T CB -0.254 68.739 68.868 0.207 0.000 1.267 430 T HN 0.711 nan 8.240 nan 0.000 0.581 431 H N -1.428 117.615 119.070 -0.044 0.000 2.600 431 H HA 0.331 4.887 4.556 -0.000 0.000 0.357 431 H C -0.745 174.505 175.328 -0.129 0.000 1.106 431 H CA -1.019 54.927 56.048 -0.171 0.000 1.193 431 H CB 0.940 30.699 29.762 -0.005 0.000 1.594 431 H HN 0.286 nan 8.280 nan 0.000 0.526 432 W N 2.026 123.229 121.300 -0.162 0.000 6.105 432 W HA -0.285 4.375 4.660 -0.000 0.000 0.377 432 W C 0.492 176.888 176.519 -0.206 0.000 1.366 432 W CA 0.801 57.902 57.345 -0.406 0.000 1.011 432 W CB -1.282 27.920 29.460 -0.429 0.000 2.481 432 W HN 0.328 nan 8.180 nan 0.000 1.597 433 S N 0.308 115.983 115.700 -0.041 0.000 2.568 433 S HA 0.417 4.887 4.470 -0.000 0.000 0.282 433 S C 1.389 176.151 174.600 0.270 0.000 1.338 433 S CA 1.490 59.784 58.200 0.156 0.000 1.045 433 S CB 1.005 64.343 63.200 0.230 0.000 0.873 433 S HN 1.235 nan 8.310 nan 0.000 0.516 434 G N 2.538 111.602 108.800 0.439 0.000 2.279 434 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.223 434 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.223 434 G C -0.196 175.015 174.900 0.518 0.000 1.015 434 G CA 0.213 45.672 45.100 0.597 0.000 0.621 434 G HN 0.675 nan 8.290 nan 0.000 0.506 435 Y N 0.020 120.450 120.300 0.215 0.000 2.568 435 Y HA 0.731 5.281 4.550 -0.000 0.000 0.327 435 Y C 2.080 178.035 175.900 0.091 0.000 1.163 435 Y CA -0.652 57.528 58.100 0.132 0.000 1.219 435 Y CB 0.767 39.313 38.460 0.143 0.000 1.308 435 Y HN 0.022 nan 8.280 nan 0.000 0.503 436 M N -0.284 119.431 119.600 0.192 0.000 2.088 436 M HA -0.267 4.213 4.480 -0.000 0.000 0.256 436 M C 1.916 178.280 176.300 0.107 0.000 1.071 436 M CA 1.835 57.209 55.300 0.123 0.000 1.097 436 M CB -0.303 32.355 32.600 0.096 0.000 1.315 436 M HN 0.747 nan 8.290 nan 0.000 0.406 437 E N 0.387 120.620 120.200 0.054 0.000 2.048 437 E HA -0.214 4.136 4.350 -0.000 0.000 0.202 437 E C 1.982 178.643 176.600 0.102 0.000 1.021 437 E CA 1.988 58.397 56.400 0.014 0.000 0.825 437 E CB -0.628 28.991 29.700 -0.136 0.000 0.756 437 E HN 0.609 nan 8.360 nan 0.000 0.454 438 G N 1.156 110.061 108.800 0.176 0.000 2.719 438 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.219 438 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.219 438 G C 1.721 176.725 174.900 0.174 0.000 1.234 438 G CA 2.463 47.685 45.100 0.204 0.000 0.788 438 G HN 0.479 nan 8.290 nan 0.000 0.619 439 A N -0.566 122.356 122.820 0.170 0.000 2.042 439 A HA -0.019 4.301 4.320 -0.000 0.000 0.222 439 A C 2.618 180.266 177.584 0.106 0.000 1.167 439 A CA 2.360 54.483 52.037 0.142 0.000 0.649 439 A CB -0.555 18.523 19.000 0.131 0.000 0.809 439 A HN 0.407 nan 8.150 nan 0.000 0.457 440 V N -0.080 119.888 119.914 0.089 0.000 2.283 440 V HA -0.252 3.868 4.120 -0.000 0.000 0.243 440 V C 2.511 178.641 176.094 0.060 0.000 1.039 440 V CA 2.095 64.432 62.300 0.061 0.000 1.016 440 V CB -0.811 31.038 31.823 0.044 0.000 0.650 440 V HN 0.875 nan 8.190 nan 0.000 0.449 441 E N 1.071 121.320 120.200 0.083 0.000 2.108 441 E HA -0.309 4.041 4.350 -0.000 0.000 0.203 441 E C 1.988 178.619 176.600 0.053 0.000 1.022 441 E CA 1.972 58.424 56.400 0.086 0.000 0.823 441 E CB -0.364 29.432 29.700 0.160 0.000 0.744 441 E HN 0.517 nan 8.360 nan 0.000 0.456 442 A N 1.176 124.054 122.820 0.096 0.000 2.021 442 A HA -0.167 4.153 4.320 -0.000 0.000 0.206 442 A C 2.578 180.181 177.584 0.032 0.000 1.210 442 A CA 2.383 54.475 52.037 0.091 0.000 0.733 442 A CB -1.982 17.105 19.000 0.146 0.000 0.839 442 A HN 0.527 nan 8.150 nan 0.000 0.495 443 G N -0.767 108.064 108.800 0.052 0.000 2.740 443 G HA2 -0.394 3.565 3.960 -0.000 0.000 0.224 443 G HA3 -0.394 3.565 3.960 -0.000 0.000 0.224 443 G C 1.389 176.274 174.900 -0.025 0.000 1.156 443 G CA 1.662 46.776 45.100 0.023 0.000 0.766 443 G HN 0.743 nan 8.290 nan 0.000 0.623 444 E N -0.487 119.695 120.200 -0.030 0.000 2.038 444 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 444 E C 2.595 179.118 176.600 -0.129 0.000 1.000 444 E CA 0.901 57.264 56.400 -0.061 0.000 0.803 444 E CB -0.215 29.462 29.700 -0.039 0.000 0.750 444 E HN 0.397 nan 8.360 nan 0.000 0.448 445 R N 1.028 121.413 120.500 -0.190 0.000 2.080 445 R HA -0.194 4.146 4.340 -0.000 0.000 0.236 445 R C 2.164 178.281 176.300 -0.304 0.000 1.137 445 R CA 1.377 57.245 56.100 -0.387 0.000 0.943 445 R CB -0.412 29.480 30.300 -0.680 0.000 0.846 445 R HN 0.140 nan 8.270 nan 0.000 0.431 446 A N 1.174 123.893 122.820 -0.169 0.000 1.953 446 A HA -0.272 4.048 4.320 -0.000 0.000 0.212 446 A C 2.414 179.895 177.584 -0.172 0.000 1.250 446 A CA 2.839 54.818 52.037 -0.097 0.000 0.726 446 A CB -1.594 17.403 19.000 -0.004 0.000 0.837 446 A HN 0.612 nan 8.150 nan 0.000 0.481 447 A N -0.951 121.785 122.820 -0.140 0.000 1.923 447 A HA -0.352 3.968 4.320 -0.000 0.000 0.222 447 A C 2.238 179.693 177.584 -0.214 0.000 1.258 447 A CA 2.640 54.575 52.037 -0.170 0.000 0.670 447 A CB -0.761 18.177 19.000 -0.104 0.000 0.834 447 A HN 0.620 nan 8.150 nan 0.000 0.470 448 R N -0.964 119.426 120.500 -0.184 0.000 2.139 448 R HA -0.177 4.163 4.340 -0.000 0.000 0.243 448 R C 2.245 178.426 176.300 -0.197 0.000 1.145 448 R CA 1.650 57.648 56.100 -0.170 0.000 0.976 448 R CB -0.298 29.904 30.300 -0.163 0.000 0.866 448 R HN 0.783 nan 8.270 nan 0.000 0.449 449 E N 0.309 120.356 120.200 -0.255 0.000 2.038 449 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 449 E C 1.948 178.291 176.600 -0.428 0.000 1.000 449 E CA 1.399 57.642 56.400 -0.261 0.000 0.803 449 E CB -0.097 29.484 29.700 -0.199 0.000 0.750 449 E HN 0.293 nan 8.360 nan 0.000 0.448 450 I N 0.905 121.070 120.570 -0.676 0.000 2.208 450 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 450 I C 2.261 178.074 176.117 -0.507 0.000 1.097 450 I CA 0.872 61.658 61.300 -0.857 0.000 1.363 450 I CB -0.156 37.321 38.000 -0.872 0.000 1.051 450 I HN 0.173 nan 8.210 nan 0.000 0.413 451 L N -0.180 120.865 121.223 -0.298 0.000 1.971 451 L HA -0.337 4.003 4.340 -0.000 0.000 0.215 451 L C 2.711 179.517 176.870 -0.107 0.000 1.072 451 L CA 2.171 56.911 54.840 -0.167 0.000 0.758 451 L CB -1.131 40.865 42.059 -0.105 0.000 0.889 451 L HN 0.377 nan 8.230 nan 0.000 0.433 452 H N -0.191 118.787 119.070 -0.152 0.000 2.426 452 H HA -0.194 4.362 4.556 -0.000 0.000 0.298 452 H C 2.064 177.349 175.328 -0.072 0.000 1.107 452 H CA 1.668 57.664 56.048 -0.085 0.000 1.298 452 H CB 0.112 29.840 29.762 -0.057 0.000 1.377 452 H HN 0.363 nan 8.280 nan 0.000 0.519 453 A N 0.565 123.354 122.820 -0.052 0.000 1.877 453 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 453 A C 2.375 179.928 177.584 -0.051 0.000 1.186 453 A CA 1.710 53.724 52.037 -0.037 0.000 0.620 453 A CB -0.584 18.343 19.000 -0.121 0.000 0.822 453 A HN 0.554 nan 8.150 nan 0.000 0.443 454 M N -1.226 118.320 119.600 -0.090 0.000 2.630 454 M HA 0.079 4.559 4.480 -0.000 0.000 0.254 454 M C 1.378 177.648 176.300 -0.050 0.000 1.092 454 M CA 0.885 56.179 55.300 -0.009 0.000 1.087 454 M CB -0.054 32.541 32.600 -0.007 0.000 1.453 454 M HN 0.700 nan 8.290 nan 0.000 0.509 455 G N 1.185 109.910 108.800 -0.124 0.000 2.141 455 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.242 455 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.242 455 G C 0.484 175.328 174.900 -0.093 0.000 0.982 455 G CA 0.220 45.237 45.100 -0.139 0.000 0.662 455 G HN 0.564 nan 8.290 nan 0.000 0.527 456 K N -0.076 120.280 120.400 -0.074 0.000 2.520 456 K HA 0.630 4.950 4.320 -0.000 0.000 0.205 456 K C 0.460 177.042 176.600 -0.031 0.000 1.035 456 K CA 0.311 56.571 56.287 -0.045 0.000 1.188 456 K CB 0.559 33.037 32.500 -0.038 0.000 0.894 456 K HN 0.529 nan 8.250 nan 0.000 0.497 457 I N 0.746 121.299 120.570 -0.029 0.000 2.624 457 I HA 0.094 4.263 4.170 -0.000 0.000 0.296 457 I C -2.988 173.199 176.117 0.117 0.000 1.792 457 I CA -1.951 59.367 61.300 0.030 0.000 0.970 457 I CB 2.735 40.758 38.000 0.038 0.000 1.502 457 I HN -0.116 nan 8.210 nan 0.000 0.549 458 P HA 0.298 nan 4.420 nan 0.000 0.282 458 P C 0.336 177.801 177.300 0.276 0.000 1.259 458 P CA -0.267 62.993 63.100 0.267 0.000 0.826 458 P CB 1.104 32.883 31.700 0.132 0.000 1.064 459 E N 0.349 120.659 120.200 0.182 0.000 2.172 459 E HA -0.357 3.993 4.350 -0.000 0.000 0.213 459 E C 1.016 177.636 176.600 0.034 0.000 1.051 459 E CA 2.031 58.387 56.400 -0.072 0.000 0.860 459 E CB -0.280 29.415 29.700 -0.008 0.000 0.755 459 E HN 0.440 nan 8.360 nan 0.000 0.462 460 D N 0.201 120.646 120.400 0.074 0.000 2.303 460 D HA -0.223 4.417 4.640 -0.000 0.000 0.190 460 D C 1.139 177.489 176.300 0.083 0.000 1.011 460 D CA 1.868 55.914 54.000 0.077 0.000 0.860 460 D CB -0.159 40.681 40.800 0.068 0.000 0.961 460 D HN 0.364 nan 8.370 nan 0.000 0.453 461 E N -0.538 119.700 120.200 0.064 0.000 2.403 461 E HA 0.116 4.466 4.350 -0.000 0.000 0.188 461 E C 1.668 178.264 176.600 -0.006 0.000 1.056 461 E CA -0.297 56.127 56.400 0.041 0.000 0.892 461 E CB 0.405 30.124 29.700 0.032 0.000 1.049 461 E HN 0.379 nan 8.360 nan 0.000 0.465 462 I N -0.279 120.278 120.570 -0.022 0.000 2.162 462 I HA -0.131 4.039 4.170 -0.000 0.000 0.238 462 I C 0.643 176.580 176.117 -0.300 0.000 1.076 462 I CA 0.940 62.133 61.300 -0.179 0.000 1.353 462 I CB -0.249 37.643 38.000 -0.180 0.000 1.063 462 I HN 0.161 nan 8.210 nan 0.000 0.408 463 W N 2.362 123.665 121.300 0.005 0.000 2.335 463 W HA 0.473 5.133 4.660 -0.000 0.000 0.306 463 W C 0.258 176.788 176.519 0.018 0.000 1.216 463 W CA 0.008 57.364 57.345 0.018 0.000 1.237 463 W CB 0.447 29.916 29.460 0.015 0.000 1.243 463 W HN 0.085 nan 8.180 nan 0.000 0.493 464 Q N 1.944 121.842 119.800 0.163 0.000 2.397 464 Q HA 0.477 4.817 4.340 -0.000 0.000 0.275 464 Q C -0.171 175.896 176.000 0.113 0.000 1.090 464 Q CA -0.606 55.261 55.803 0.106 0.000 0.809 464 Q CB 1.942 30.706 28.738 0.043 0.000 1.362 464 Q HN 0.524 nan 8.270 nan 0.000 0.431 465 S N 1.351 117.104 115.700 0.089 0.000 2.655 465 S HA 0.356 4.826 4.470 -0.000 0.000 0.265 465 S C -0.680 173.964 174.600 0.074 0.000 1.240 465 S CA -0.813 57.438 58.200 0.085 0.000 0.986 465 S CB 0.751 63.993 63.200 0.069 0.000 0.985 465 S HN 0.586 nan 8.310 nan 0.000 0.562 466 E N 0.775 121.022 120.200 0.078 0.000 2.346 466 E HA 0.351 4.701 4.350 -0.000 0.000 0.239 466 E C -2.807 173.826 176.600 0.056 0.000 0.943 466 E CA -1.823 54.622 56.400 0.075 0.000 0.751 466 E CB 0.172 29.941 29.700 0.115 0.000 1.241 466 E HN 0.359 nan 8.360 nan 0.000 0.423 467 P HA 0.010 nan 4.420 nan 0.000 0.276 467 P C -0.350 176.966 177.300 0.026 0.000 1.243 467 P CA -0.331 62.788 63.100 0.031 0.000 0.768 467 P CB 0.613 32.328 31.700 0.025 0.000 0.856 468 E N 2.722 122.937 120.200 0.025 0.000 2.417 468 E HA 0.105 4.455 4.350 -0.000 0.000 0.261 468 E C 0.112 176.718 176.600 0.011 0.000 1.000 468 E CA -0.288 56.124 56.400 0.019 0.000 0.919 468 E CB 0.404 30.116 29.700 0.020 0.000 0.955 468 E HN 0.421 nan 8.360 nan 0.000 0.455 469 S N 3.019 118.722 115.700 0.004 0.000 2.584 469 S HA 0.001 4.471 4.470 -0.000 0.000 0.270 469 S C 0.825 175.426 174.600 0.003 0.000 1.346 469 S CA -0.567 57.635 58.200 0.002 0.000 1.018 469 S CB 1.363 64.559 63.200 -0.006 0.000 0.899 469 S HN 0.483 nan 8.310 nan 0.000 0.542 470 V N 2.332 122.250 119.914 0.005 0.000 2.825 470 V HA 0.040 4.160 4.120 -0.000 0.000 0.246 470 V C 1.513 177.609 176.094 0.003 0.000 1.068 470 V CA 1.436 63.739 62.300 0.005 0.000 1.088 470 V CB -0.512 31.315 31.823 0.008 0.000 0.733 470 V HN 0.874 nan 8.190 nan 0.000 0.468 471 D N 0.381 120.784 120.400 0.004 0.000 2.224 471 D HA -0.036 4.604 4.640 -0.000 0.000 0.205 471 D C 0.786 177.080 176.300 -0.009 0.000 0.965 471 D CA 0.843 54.845 54.000 0.002 0.000 0.852 471 D CB 0.044 40.849 40.800 0.010 0.000 0.947 471 D HN 0.399 nan 8.370 nan 0.000 0.494 472 V N 1.478 121.381 119.914 -0.017 0.000 2.361 472 V HA 0.276 4.396 4.120 -0.000 0.000 0.252 472 V C -2.449 173.630 176.094 -0.025 0.000 0.986 472 V CA -1.567 60.713 62.300 -0.032 0.000 1.033 472 V CB 0.711 32.499 31.823 -0.059 0.000 1.282 472 V HN -0.116 nan 8.190 nan 0.000 0.514 473 P HA 0.428 nan 4.420 nan 0.000 0.271 473 P C -0.328 176.969 177.300 -0.006 0.000 1.244 473 P CA 0.127 63.224 63.100 -0.006 0.000 0.793 473 P CB 0.791 32.490 31.700 -0.002 0.000 0.984 474 A N 1.083 123.905 122.820 0.002 0.000 2.359 474 A HA 0.500 4.820 4.320 -0.000 0.000 0.303 474 A C -0.912 176.678 177.584 0.009 0.000 1.066 474 A CA -0.509 51.532 52.037 0.007 0.000 0.730 474 A CB 0.910 19.921 19.000 0.019 0.000 1.211 474 A HN 0.520 nan 8.150 nan 0.000 0.439 475 Q N 2.098 121.902 119.800 0.008 0.000 2.301 475 Q HA 0.607 4.947 4.340 -0.000 0.000 0.267 475 Q C -2.412 173.592 176.000 0.007 0.000 1.035 475 Q CA -1.860 53.947 55.803 0.007 0.000 0.856 475 Q CB 1.309 30.051 28.738 0.006 0.000 1.337 475 Q HN 0.558 nan 8.270 nan 0.000 0.450 476 P HA 0.279 nan 4.420 nan 0.000 0.293 476 P C -0.996 176.304 177.300 0.000 0.000 1.304 476 P CA -0.579 62.522 63.100 0.002 0.000 0.767 476 P CB 0.594 32.294 31.700 -0.001 0.000 1.247 477 I N -0.313 120.253 120.570 -0.006 0.000 2.392 477 I HA 0.274 4.444 4.170 -0.000 0.000 0.295 477 I C -0.131 175.984 176.117 -0.004 0.000 0.985 477 I CA 0.253 61.549 61.300 -0.007 0.000 1.221 477 I CB 1.184 39.172 38.000 -0.020 0.000 1.366 477 I HN 0.209 nan 8.210 nan 0.000 0.467 478 T N 4.371 118.928 114.554 0.004 0.000 2.794 478 T HA 0.663 5.013 4.350 -0.000 0.000 0.280 478 T C -0.025 174.680 174.700 0.008 0.000 0.987 478 T CA -0.802 61.304 62.100 0.010 0.000 0.993 478 T CB 1.138 70.016 68.868 0.017 0.000 0.939 478 T HN 0.644 nan 8.240 nan 0.000 0.449 479 T N -0.176 114.387 114.554 0.015 0.000 2.883 479 T HA 0.741 5.091 4.350 -0.000 0.000 0.284 479 T C -0.496 174.233 174.700 0.049 0.000 1.041 479 T CA -0.917 61.193 62.100 0.016 0.000 1.007 479 T CB 1.621 70.490 68.868 0.002 0.000 1.220 479 T HN 0.421 nan 8.240 nan 0.000 0.552 480 T N 1.375 115.965 114.554 0.060 0.000 2.840 480 T HA 0.349 4.699 4.350 -0.000 0.000 0.287 480 T C 0.379 175.184 174.700 0.173 0.000 0.991 480 T CA -0.579 61.586 62.100 0.107 0.000 0.964 480 T CB 1.178 70.094 68.868 0.080 0.000 0.954 480 T HN 0.572 nan 8.240 nan 0.000 0.438 481 F N 3.311 123.308 119.950 0.079 0.000 2.063 481 F HA -0.284 4.243 4.527 -0.000 0.000 0.296 481 F C 1.773 177.685 175.800 0.186 0.000 1.093 481 F CA 1.872 59.946 58.000 0.124 0.000 1.229 481 F CB -0.417 38.585 39.000 0.002 0.000 0.971 481 F HN 0.567 nan 8.300 nan 0.000 0.491 482 L N -0.375 120.926 121.223 0.130 0.000 1.976 482 L HA -0.249 4.091 4.340 -0.000 0.000 0.209 482 L C 2.464 179.353 176.870 0.031 0.000 1.071 482 L CA 2.051 56.914 54.840 0.039 0.000 0.746 482 L CB -1.073 41.038 42.059 0.087 0.000 0.890 482 L HN 0.197 nan 8.230 nan 0.000 0.432 483 E N 0.237 120.471 120.200 0.056 0.000 2.187 483 E HA -0.256 4.094 4.350 -0.000 0.000 0.199 483 E C 1.814 178.388 176.600 -0.043 0.000 1.004 483 E CA 1.559 57.971 56.400 0.019 0.000 0.813 483 E CB 0.071 29.773 29.700 0.002 0.000 0.736 483 E HN 0.526 nan 8.360 nan 0.000 0.468 484 R N -1.453 119.012 120.500 -0.058 0.000 2.432 484 R HA 0.162 4.502 4.340 -0.000 0.000 0.260 484 R C 0.849 176.891 176.300 -0.431 0.000 0.935 484 R CA 0.129 56.109 56.100 -0.199 0.000 1.080 484 R CB 0.280 30.460 30.300 -0.201 0.000 1.155 484 R HN 0.229 nan 8.270 nan 0.000 0.531 485 H N 0.194 119.108 119.070 -0.261 0.000 3.535 485 H HA 0.247 4.803 4.556 -0.000 0.000 0.260 485 H C 0.241 175.457 175.328 -0.186 0.000 1.173 485 H CA -0.530 55.350 56.048 -0.279 0.000 1.168 485 H CB 0.841 30.302 29.762 -0.502 0.000 1.568 485 H HN -0.021 nan 8.280 nan 0.000 0.602 486 L N 3.381 124.590 121.223 -0.023 0.000 2.529 486 L HA 0.003 4.343 4.340 -0.000 0.000 0.287 486 L C -1.878 174.972 176.870 -0.033 0.000 1.241 486 L CA -1.251 53.586 54.840 -0.005 0.000 0.857 486 L CB -0.045 42.044 42.059 0.050 0.000 1.113 486 L HN -0.043 nan 8.230 nan 0.000 0.504 487 P HA 0.139 nan 4.420 nan 0.000 0.274 487 P C -0.805 176.446 177.300 -0.081 0.000 1.246 487 P CA -0.632 62.431 63.100 -0.060 0.000 0.795 487 P CB 0.890 32.554 31.700 -0.060 0.000 1.006 488 S N -0.336 115.294 115.700 -0.116 0.000 2.655 488 S HA 0.139 4.609 4.470 -0.000 0.000 0.265 488 S C 1.306 175.750 174.600 -0.260 0.000 1.240 488 S CA -0.556 57.544 58.200 -0.166 0.000 0.986 488 S CB 0.035 63.127 63.200 -0.179 0.000 0.985 488 S HN 0.147 nan 8.310 nan 0.000 0.562 489 V N 2.051 121.731 119.914 -0.391 0.000 2.392 489 V HA -0.062 4.058 4.120 -0.000 0.000 0.249 489 V C -0.789 174.895 176.094 -0.682 0.000 1.059 489 V CA 1.848 63.844 62.300 -0.507 0.000 1.051 489 V CB -1.827 29.657 31.823 -0.565 0.000 0.658 489 V HN 0.734 nan 8.190 nan 0.000 0.455 490 P HA -0.106 nan 4.420 nan 0.000 0.213 490 P C 1.795 178.913 177.300 -0.303 0.000 1.170 490 P CA 1.850 64.562 63.100 -0.646 0.000 0.893 490 P CB -0.426 30.989 31.700 -0.476 0.000 0.784 491 G N 0.451 109.116 108.800 -0.224 0.000 2.631 491 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.219 491 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.219 491 G C 1.536 176.363 174.900 -0.121 0.000 1.214 491 G CA 1.277 46.297 45.100 -0.133 0.000 0.785 491 G HN 0.239 nan 8.290 nan 0.000 0.596 492 L N 0.537 121.677 121.223 -0.138 0.000 2.043 492 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 492 L C 2.850 179.666 176.870 -0.091 0.000 1.075 492 L CA 1.533 56.314 54.840 -0.098 0.000 0.752 492 L CB -0.353 41.649 42.059 -0.095 0.000 0.891 492 L HN 0.307 nan 8.230 nan 0.000 0.432 493 L N -1.099 120.045 121.223 -0.132 0.000 1.970 493 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 493 L C 2.778 179.616 176.870 -0.054 0.000 1.071 493 L CA 1.670 56.456 54.840 -0.090 0.000 0.751 493 L CB -0.601 41.389 42.059 -0.116 0.000 0.889 493 L HN 0.228 nan 8.230 nan 0.000 0.432 494 R N -0.523 119.940 120.500 -0.062 0.000 2.105 494 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 494 R C 2.186 178.469 176.300 -0.027 0.000 1.135 494 R CA 1.059 57.139 56.100 -0.034 0.000 0.967 494 R CB -0.389 29.891 30.300 -0.033 0.000 0.861 494 R HN 0.171 nan 8.270 nan 0.000 0.442 495 L N 1.231 122.432 121.223 -0.036 0.000 1.989 495 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 495 L C 1.327 178.188 176.870 -0.016 0.000 1.071 495 L CA 1.475 56.300 54.840 -0.024 0.000 0.749 495 L CB -0.641 41.401 42.059 -0.027 0.000 0.890 495 L HN 0.079 nan 8.230 nan 0.000 0.431 496 I N 0.000 120.560 120.570 -0.017 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.295 61.300 -0.009 0.000 1.566 496 I CB 0.000 37.995 38.000 -0.008 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494