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 2xln_1_D DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPEG 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 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.482 176.300 0.303 0.000 0.893 1 R CA 0.000 56.219 56.100 0.199 0.000 0.921 1 R CB 0.000 30.389 30.300 0.149 0.000 0.687 2 L N 3.419 124.847 121.223 0.342 0.000 2.395 2 L HA 0.178 4.518 4.340 -0.000 0.000 0.268 2 L C 0.131 177.043 176.870 0.070 0.000 1.223 2 L CA 1.592 56.517 54.840 0.141 0.000 1.093 2 L CB 0.113 42.250 42.059 0.129 0.000 1.349 2 L HN 0.588 nan 8.230 nan 0.000 0.427 3 T N 0.206 114.791 114.554 0.053 0.000 3.847 3 T HA -0.016 4.334 4.350 -0.000 0.000 0.323 3 T C 1.137 175.861 174.700 0.039 0.000 0.888 3 T CA 0.423 62.548 62.100 0.042 0.000 1.157 3 T CB -0.291 68.603 68.868 0.044 0.000 1.070 3 T HN 0.514 nan 8.240 nan 0.000 0.538 4 E N 1.089 121.316 120.200 0.045 0.000 2.152 4 E HA 0.096 4.446 4.350 -0.000 0.000 0.192 4 E C 1.948 178.562 176.600 0.024 0.000 0.983 4 E CA 1.166 57.588 56.400 0.037 0.000 0.818 4 E CB -0.028 29.698 29.700 0.043 0.000 0.758 4 E HN 0.337 nan 8.360 nan 0.000 0.467 5 L N 1.427 122.659 121.223 0.014 0.000 2.042 5 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 5 L C 2.110 178.963 176.870 -0.030 0.000 1.076 5 L CA 1.738 56.551 54.840 -0.044 0.000 0.749 5 L CB -0.089 41.874 42.059 -0.161 0.000 0.893 5 L HN -0.036 nan 8.230 nan 0.000 0.432 6 R N -0.445 120.080 120.500 0.043 0.000 2.081 6 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 6 R C 2.092 178.477 176.300 0.142 0.000 1.131 6 R CA 1.813 58.015 56.100 0.171 0.000 0.960 6 R CB -0.445 29.936 30.300 0.134 0.000 0.856 6 R HN 0.561 nan 8.270 nan 0.000 0.436 7 E N 0.520 120.760 120.200 0.067 0.000 2.077 7 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 7 E C 1.502 178.114 176.600 0.020 0.000 0.989 7 E CA 1.210 57.637 56.400 0.046 0.000 0.800 7 E CB -0.046 29.671 29.700 0.029 0.000 0.746 7 E HN 0.273 nan 8.360 nan 0.000 0.452 8 D N 0.811 121.208 120.400 -0.006 0.000 2.084 8 D HA -0.112 4.527 4.640 -0.000 0.000 0.194 8 D C 1.963 178.217 176.300 -0.076 0.000 0.990 8 D CA 0.892 54.870 54.000 -0.036 0.000 0.826 8 D CB -0.171 40.604 40.800 -0.042 0.000 0.971 8 D HN 0.130 nan 8.370 nan 0.000 0.453 9 I N 0.877 121.362 120.570 -0.141 0.000 2.286 9 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 9 I C 1.765 177.789 176.117 -0.156 0.000 1.115 9 I CA 0.900 62.036 61.300 -0.273 0.000 1.392 9 I CB -0.166 37.438 38.000 -0.660 0.000 1.065 9 I HN -0.095 nan 8.210 nan 0.000 0.418 10 D N 1.263 121.663 120.400 -0.001 0.000 2.106 10 D HA -0.216 4.424 4.640 -0.000 0.000 0.191 10 D C 2.248 178.565 176.300 0.027 0.000 0.997 10 D CA 1.898 55.950 54.000 0.087 0.000 0.834 10 D CB -0.212 40.654 40.800 0.109 0.000 0.956 10 D HN 0.367 nan 8.370 nan 0.000 0.448 11 A N 0.126 122.948 122.820 0.003 0.000 1.968 11 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 11 A C 2.380 179.952 177.584 -0.020 0.000 1.169 11 A CA 0.661 52.695 52.037 -0.005 0.000 0.638 11 A CB -0.609 18.387 19.000 -0.007 0.000 0.812 11 A HN 0.221 nan 8.150 nan 0.000 0.446 12 I N -0.199 120.345 120.570 -0.043 0.000 2.208 12 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 12 I C 1.794 177.885 176.117 -0.044 0.000 1.097 12 I CA 1.200 62.466 61.300 -0.056 0.000 1.363 12 I CB -0.296 37.650 38.000 -0.090 0.000 1.051 12 I HN 0.248 nan 8.210 nan 0.000 0.413 13 L N 0.560 121.762 121.223 -0.035 0.000 2.622 13 L HA -0.061 4.279 4.340 -0.000 0.000 0.233 13 L C 1.460 178.332 176.870 0.003 0.000 1.156 13 L CA 0.381 55.213 54.840 -0.012 0.000 0.866 13 L CB -0.386 41.683 42.059 0.016 0.000 0.980 13 L HN 0.238 nan 8.230 nan 0.000 0.448 14 E N -0.654 119.545 120.200 -0.001 0.000 2.463 14 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 14 E C 0.115 176.713 176.600 -0.003 0.000 1.041 14 E CA -0.044 56.358 56.400 0.003 0.000 0.879 14 E CB -0.019 29.684 29.700 0.005 0.000 0.997 14 E HN 0.278 nan 8.360 nan 0.000 0.478 15 D N 2.564 122.957 120.400 -0.012 0.000 2.525 15 D HA -0.054 4.585 4.640 -0.000 0.000 0.235 15 D C -1.267 175.027 176.300 -0.009 0.000 1.137 15 D CA -1.182 52.808 54.000 -0.017 0.000 0.868 15 D CB 1.373 42.155 40.800 -0.030 0.000 1.180 15 D HN -0.063 nan 8.370 nan 0.000 0.465 16 P HA -0.120 nan 4.420 nan 0.000 0.223 16 P C 0.832 178.132 177.300 0.001 0.000 1.144 16 P CA 0.755 63.854 63.100 -0.001 0.000 0.783 16 P CB 0.129 31.827 31.700 -0.002 0.000 0.771 17 A N -0.046 122.768 122.820 -0.010 0.000 2.015 17 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 17 A C 2.053 179.637 177.584 -0.000 0.000 1.163 17 A CA 0.894 52.922 52.037 -0.015 0.000 0.646 17 A CB -1.173 17.798 19.000 -0.048 0.000 0.806 17 A HN 0.195 nan 8.150 nan 0.000 0.448 18 L N 0.036 121.259 121.223 -0.000 0.000 2.685 18 L HA 0.135 4.475 4.340 -0.000 0.000 0.233 18 L C 0.581 177.473 176.870 0.038 0.000 1.173 18 L CA -0.272 54.581 54.840 0.022 0.000 0.961 18 L CB 0.033 42.095 42.059 0.005 0.000 1.217 18 L HN 0.311 nan 8.230 nan 0.000 0.478 19 E N 1.438 121.658 120.200 0.033 0.000 2.265 19 E HA 0.126 4.476 4.350 -0.000 0.000 0.272 19 E C 0.925 177.548 176.600 0.038 0.000 1.067 19 E CA 0.737 57.154 56.400 0.030 0.000 0.900 19 E CB 0.797 30.509 29.700 0.021 0.000 1.017 19 E HN 0.414 nan 8.360 nan 0.000 0.431 20 G N 3.008 111.828 108.800 0.033 0.000 2.136 20 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.242 20 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.242 20 G C 0.094 175.018 174.900 0.039 0.000 0.989 20 G CA 0.177 45.295 45.100 0.030 0.000 0.682 20 G HN 0.757 nan 8.290 nan 0.000 0.522 21 A N -0.523 122.331 122.820 0.056 0.000 2.337 21 A HA 0.855 5.175 4.320 -0.000 0.000 0.329 21 A C 0.068 177.690 177.584 0.064 0.000 1.146 21 A CA -0.286 51.799 52.037 0.079 0.000 0.800 21 A CB 1.971 21.058 19.000 0.146 0.000 1.220 21 A HN 1.144 nan 8.150 nan 0.000 0.472 22 V N 1.864 121.815 119.914 0.061 0.000 2.439 22 V HA 0.554 4.674 4.120 -0.000 0.000 0.282 22 V C 0.133 176.268 176.094 0.068 0.000 1.039 22 V CA -0.206 62.126 62.300 0.053 0.000 0.913 22 V CB 1.237 33.083 31.823 0.038 0.000 0.983 22 V HN 0.858 nan 8.190 nan 0.000 0.460 23 S N 2.577 118.315 115.700 0.062 0.000 2.594 23 S HA 0.686 5.156 4.470 -0.000 0.000 0.296 23 S C 0.158 174.800 174.600 0.070 0.000 1.124 23 S CA -0.599 57.641 58.200 0.067 0.000 1.011 23 S CB 1.855 65.091 63.200 0.061 0.000 1.016 23 S HN 1.072 nan 8.310 nan 0.000 0.485 24 G N 1.250 110.093 108.800 0.072 0.000 2.322 24 G HA2 0.578 4.538 3.960 -0.000 0.000 0.309 24 G HA3 0.578 4.538 3.960 -0.000 0.000 0.309 24 G C -0.979 173.981 174.900 0.100 0.000 1.121 24 G CA -0.541 44.606 45.100 0.079 0.000 0.886 24 G HN 0.619 nan 8.290 nan 0.000 0.447 25 V N 2.936 122.933 119.914 0.137 0.000 2.488 25 V HA 0.465 4.585 4.120 -0.000 0.000 0.293 25 V C -0.548 175.695 176.094 0.249 0.000 1.027 25 V CA -0.680 61.731 62.300 0.186 0.000 0.862 25 V CB 1.612 33.561 31.823 0.210 0.000 1.008 25 V HN 0.565 nan 8.190 nan 0.000 0.428 26 V N 5.303 125.337 119.914 0.200 0.000 2.577 26 V HA 0.623 4.743 4.120 -0.000 0.000 0.303 26 V C -0.568 175.638 176.094 0.188 0.000 1.042 26 V CA -0.594 61.815 62.300 0.181 0.000 0.872 26 V CB 2.377 34.264 31.823 0.107 0.000 0.998 26 V HN 0.593 nan 8.190 nan 0.000 0.423 27 V N 5.164 125.193 119.914 0.192 0.000 2.540 27 V HA 0.698 4.818 4.120 -0.000 0.000 0.302 27 V C -0.511 175.655 176.094 0.120 0.000 1.035 27 V CA -0.593 61.806 62.300 0.164 0.000 0.873 27 V CB 2.069 33.963 31.823 0.118 0.000 0.992 27 V HN 0.586 nan 8.190 nan 0.000 0.428 28 V N 2.630 122.615 119.914 0.118 0.000 2.841 28 V HA 0.453 4.573 4.120 -0.000 0.000 0.310 28 V C -0.919 175.245 176.094 0.117 0.000 1.090 28 V CA -0.642 61.716 62.300 0.097 0.000 0.930 28 V CB 2.446 34.316 31.823 0.078 0.000 1.014 28 V HN 0.927 nan 8.190 nan 0.000 0.425 29 D N 2.290 122.754 120.400 0.108 0.000 2.295 29 D HA 0.193 4.833 4.640 -0.000 0.000 0.248 29 D C 1.065 177.428 176.300 0.104 0.000 1.154 29 D CA 0.172 54.245 54.000 0.122 0.000 0.857 29 D CB 2.059 42.930 40.800 0.118 0.000 1.117 29 D HN 0.597 nan 8.370 nan 0.000 0.468 30 T N 2.826 117.451 114.554 0.119 0.000 2.746 30 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 30 T C 1.750 176.489 174.700 0.066 0.000 1.039 30 T CA 1.595 63.756 62.100 0.101 0.000 1.142 30 T CB 0.025 68.971 68.868 0.129 0.000 0.866 30 T HN 0.587 nan 8.240 nan 0.000 0.444 31 A N 1.393 124.252 122.820 0.065 0.000 1.877 31 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 31 A C 2.562 180.168 177.584 0.038 0.000 1.186 31 A CA 2.368 54.431 52.037 0.044 0.000 0.620 31 A CB -0.961 18.065 19.000 0.044 0.000 0.822 31 A HN 0.633 nan 8.150 nan 0.000 0.443 32 T N -5.741 108.841 114.554 0.047 0.000 3.023 32 T HA 0.427 4.777 4.350 -0.000 0.000 0.249 32 T C 1.561 176.283 174.700 0.037 0.000 1.050 32 T CA 1.132 63.256 62.100 0.040 0.000 1.088 32 T CB 0.386 69.281 68.868 0.045 0.000 0.946 32 T HN 1.725 nan 8.240 nan 0.000 0.480 33 G N 1.342 110.168 108.800 0.044 0.000 2.241 33 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 33 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 33 G C -0.073 174.852 174.900 0.043 0.000 0.998 33 G CA 0.205 45.329 45.100 0.040 0.000 0.621 33 G HN 0.849 nan 8.290 nan 0.000 0.519 34 E N 1.178 121.406 120.200 0.046 0.000 2.442 34 E HA 0.260 4.610 4.350 -0.000 0.000 0.262 34 E C 0.137 176.765 176.600 0.047 0.000 1.004 34 E CA 0.050 56.476 56.400 0.044 0.000 0.928 34 E CB 0.224 29.953 29.700 0.049 0.000 0.937 34 E HN 0.426 nan 8.360 nan 0.000 0.446 35 E N 4.799 125.019 120.200 0.034 0.000 2.044 35 E HA 0.071 4.421 4.350 -0.000 0.000 0.282 35 E C 0.591 177.206 176.600 0.026 0.000 1.031 35 E CA -0.223 56.196 56.400 0.031 0.000 0.824 35 E CB 0.448 30.156 29.700 0.013 0.000 1.076 35 E HN 0.615 nan 8.360 nan 0.000 0.395 36 L N 4.217 125.465 121.223 0.041 0.000 2.162 36 L HA 0.092 4.432 4.340 -0.000 0.000 0.205 36 L C 0.336 177.254 176.870 0.080 0.000 1.086 36 L CA 0.529 55.383 54.840 0.022 0.000 0.778 36 L CB 0.082 42.121 42.059 -0.033 0.000 0.928 36 L HN 0.547 nan 8.230 nan 0.000 0.446 37 Y N -0.882 119.393 120.300 -0.041 0.000 2.513 37 Y HA 0.475 5.025 4.550 -0.000 0.000 0.340 37 Y C -0.822 175.074 175.900 -0.007 0.000 1.055 37 Y CA -0.856 57.224 58.100 -0.033 0.000 1.020 37 Y CB 2.116 40.549 38.460 -0.046 0.000 1.301 37 Y HN -0.239 nan 8.280 nan 0.000 0.453 38 S N 5.641 121.120 115.700 -0.369 0.000 2.652 38 S HA 0.613 5.083 4.470 -0.000 0.000 0.273 38 S C -1.977 172.460 174.600 -0.271 0.000 1.172 38 S CA -0.800 57.297 58.200 -0.172 0.000 1.009 38 S CB 0.528 63.675 63.200 -0.089 0.000 1.094 38 S HN 0.864 nan 8.310 nan 0.000 0.471 39 R N 2.595 123.044 120.500 -0.086 0.000 2.564 39 R HA 0.567 4.907 4.340 -0.000 0.000 0.284 39 R C -1.286 175.031 176.300 0.028 0.000 1.031 39 R CA -0.522 55.553 56.100 -0.043 0.000 0.904 39 R CB 0.469 30.753 30.300 -0.026 0.000 1.199 39 R HN 0.525 nan 8.270 nan 0.000 0.443 40 D N 2.192 122.599 120.400 0.012 0.000 2.686 40 D HA -0.193 4.447 4.640 -0.000 0.000 0.235 40 D C 1.094 177.413 176.300 0.033 0.000 1.160 40 D CA 1.416 55.430 54.000 0.023 0.000 0.645 40 D CB -0.671 40.149 40.800 0.034 0.000 1.039 40 D HN 0.906 nan 8.370 nan 0.000 0.423 41 G N -0.009 108.806 108.800 0.025 0.000 2.421 41 G HA2 0.039 3.999 3.960 -0.000 0.000 0.217 41 G HA3 0.039 3.999 3.960 -0.000 0.000 0.217 41 G C 1.453 176.372 174.900 0.033 0.000 1.143 41 G CA 0.364 45.485 45.100 0.035 0.000 0.784 41 G HN 0.508 nan 8.290 nan 0.000 0.541 42 G N -0.306 108.508 108.800 0.022 0.000 3.233 42 G HA2 0.300 4.260 3.960 -0.000 0.000 0.227 42 G HA3 0.300 4.260 3.960 -0.000 0.000 0.227 42 G C 0.117 175.028 174.900 0.018 0.000 1.175 42 G CA -0.262 44.850 45.100 0.020 0.000 0.781 42 G HN 0.339 nan 8.290 nan 0.000 0.542 43 E N 1.043 121.257 120.200 0.023 0.000 2.223 43 E HA 0.216 4.566 4.350 -0.000 0.000 0.282 43 E C 0.275 176.888 176.600 0.022 0.000 1.046 43 E CA -0.188 56.225 56.400 0.022 0.000 0.857 43 E CB 0.345 30.061 29.700 0.026 0.000 1.055 43 E HN 0.248 nan 8.360 nan 0.000 0.409 44 Q N 3.929 123.737 119.800 0.015 0.000 2.296 44 Q HA 0.294 4.634 4.340 -0.000 0.000 0.263 44 Q C -0.543 175.465 176.000 0.013 0.000 1.026 44 Q CA 0.083 55.892 55.803 0.010 0.000 0.912 44 Q CB 0.633 29.372 28.738 0.001 0.000 1.198 44 Q HN 0.493 nan 8.270 nan 0.000 0.407 45 L N 1.848 123.082 121.223 0.017 0.000 2.350 45 L HA 0.456 4.796 4.340 -0.000 0.000 0.260 45 L C -0.496 176.384 176.870 0.016 0.000 1.015 45 L CA -1.215 53.637 54.840 0.021 0.000 0.821 45 L CB 1.492 43.571 42.059 0.034 0.000 1.370 45 L HN 0.378 nan 8.230 nan 0.000 0.416 46 L N 3.582 124.813 121.223 0.012 0.000 2.477 46 L HA 0.091 4.431 4.340 -0.000 0.000 0.272 46 L C -1.310 175.572 176.870 0.020 0.000 1.157 46 L CA -0.661 54.183 54.840 0.008 0.000 0.889 46 L CB 0.598 42.653 42.059 -0.007 0.000 1.158 46 L HN 0.424 nan 8.230 nan 0.000 0.473 47 P HA -0.026 nan 4.420 nan 0.000 0.230 47 P C 0.828 178.148 177.300 0.033 0.000 1.168 47 P CA 1.057 64.189 63.100 0.052 0.000 0.793 47 P CB 0.667 32.421 31.700 0.090 0.000 0.851 48 A N 0.546 123.372 122.820 0.010 0.000 5.483 48 A HA -0.286 4.034 4.320 -0.000 0.000 0.309 48 A C 1.846 179.436 177.584 0.011 0.000 1.898 48 A CA 1.928 53.956 52.037 -0.016 0.000 0.716 48 A CB -2.446 16.528 19.000 -0.044 0.000 1.309 48 A HN 0.196 nan 8.150 nan 0.000 0.380 49 S N 0.864 116.556 115.700 -0.013 0.000 2.595 49 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 49 S C 1.380 175.983 174.600 0.006 0.000 0.974 49 S CA 1.067 59.265 58.200 -0.003 0.000 0.942 49 S CB -0.681 62.492 63.200 -0.045 0.000 0.766 49 S HN 0.599 nan 8.310 nan 0.000 0.536 50 N N 1.466 120.181 118.700 0.025 0.000 2.443 50 N HA -0.008 4.732 4.740 -0.000 0.000 0.184 50 N C 1.395 177.014 175.510 0.181 0.000 1.037 50 N CA 0.492 53.573 53.050 0.052 0.000 0.896 50 N CB -0.319 38.205 38.487 0.062 0.000 0.959 50 N HN 0.289 nan 8.380 nan 0.000 0.442 51 M N 0.989 120.713 119.600 0.207 0.000 2.279 51 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 51 M C 1.334 177.836 176.300 0.336 0.000 1.062 51 M CA 1.441 56.929 55.300 0.315 0.000 1.099 51 M CB -0.053 32.662 32.600 0.191 0.000 1.394 51 M HN -0.063 nan 8.290 nan 0.000 0.426 52 K N -0.452 120.068 120.400 0.201 0.000 2.209 52 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 52 K C 1.845 178.517 176.600 0.120 0.000 1.048 52 K CA 1.227 57.618 56.287 0.173 0.000 0.940 52 K CB -0.416 32.055 32.500 -0.048 0.000 0.729 52 K HN 0.383 nan 8.250 nan 0.000 0.451 53 L N -0.167 121.081 121.223 0.043 0.000 2.043 53 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 53 L C 2.153 179.113 176.870 0.151 0.000 1.075 53 L CA 1.584 56.436 54.840 0.021 0.000 0.752 53 L CB -0.456 41.513 42.059 -0.150 0.000 0.891 53 L HN 0.102 nan 8.230 nan 0.000 0.432 54 F N -0.783 119.304 119.950 0.228 0.000 2.163 54 F HA -0.156 4.371 4.527 -0.000 0.000 0.297 54 F C 2.646 178.561 175.800 0.193 0.000 1.094 54 F CA 1.432 59.548 58.000 0.194 0.000 1.290 54 F CB -1.025 38.056 39.000 0.134 0.000 1.017 54 F HN -0.049 nan 8.300 nan 0.000 0.483 55 T N 0.076 114.869 114.554 0.398 0.000 2.708 55 T HA -0.218 4.131 4.350 -0.000 0.000 0.266 55 T C 2.306 177.184 174.700 0.295 0.000 1.037 55 T CA 1.406 63.699 62.100 0.322 0.000 1.146 55 T CB -0.718 68.373 68.868 0.370 0.000 0.865 55 T HN 0.294 nan 8.240 nan 0.000 0.435 56 A N 1.479 124.527 122.820 0.380 0.000 1.902 56 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 56 A C 2.651 180.341 177.584 0.175 0.000 1.181 56 A CA 1.911 54.165 52.037 0.362 0.000 0.623 56 A CB -1.134 18.076 19.000 0.351 0.000 0.818 56 A HN 0.517 nan 8.150 nan 0.000 0.443 57 A N -0.257 122.691 122.820 0.214 0.000 1.898 57 A HA 0.200 4.520 4.320 -0.000 0.000 0.216 57 A C 2.499 180.013 177.584 -0.117 0.000 1.181 57 A CA 1.987 53.951 52.037 -0.121 0.000 0.620 57 A CB -0.981 18.004 19.000 -0.025 0.000 0.819 57 A HN 1.045 nan 8.150 nan 0.000 0.442 58 A N -0.104 122.746 122.820 0.051 0.000 1.902 58 A HA 0.163 4.482 4.320 -0.000 0.000 0.217 58 A C 2.473 180.048 177.584 -0.015 0.000 1.181 58 A CA 2.041 54.110 52.037 0.053 0.000 0.623 58 A CB -0.945 18.120 19.000 0.108 0.000 0.818 58 A HN 1.046 nan 8.150 nan 0.000 0.443 59 A N -0.525 122.283 122.820 -0.020 0.000 1.969 59 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 59 A C 2.116 179.613 177.584 -0.146 0.000 1.169 59 A CA 1.335 53.343 52.037 -0.048 0.000 0.635 59 A CB -0.475 18.533 19.000 0.013 0.000 0.810 59 A HN 0.468 nan 8.150 nan 0.000 0.445 60 L N -0.894 120.136 121.223 -0.322 0.000 2.131 60 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 60 L C 2.566 179.195 176.870 -0.402 0.000 1.087 60 L CA 0.829 55.323 54.840 -0.577 0.000 0.767 60 L CB -0.402 40.825 42.059 -1.386 0.000 0.917 60 L HN 0.303 nan 8.230 nan 0.000 0.441 61 E N -0.042 120.027 120.200 -0.219 0.000 2.047 61 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 61 E C 2.321 178.943 176.600 0.035 0.000 0.987 61 E CA 1.167 57.610 56.400 0.072 0.000 0.799 61 E CB -0.100 29.688 29.700 0.146 0.000 0.752 61 E HN 0.275 nan 8.360 nan 0.000 0.449 62 V N 0.873 120.779 119.914 -0.015 0.000 2.446 62 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 62 V C 2.096 178.162 176.094 -0.048 0.000 1.039 62 V CA 0.960 63.251 62.300 -0.015 0.000 1.045 62 V CB -0.107 31.704 31.823 -0.019 0.000 0.681 62 V HN 0.159 nan 8.190 nan 0.000 0.459 63 L N -0.321 120.839 121.223 -0.106 0.000 2.298 63 L HA 0.456 4.796 4.340 -0.000 0.000 0.209 63 L C 1.146 177.987 176.870 -0.048 0.000 1.084 63 L CA 1.388 56.114 54.840 -0.191 0.000 0.816 63 L CB -1.539 40.246 42.059 -0.456 0.000 0.967 63 L HN 0.505 nan 8.230 nan 0.000 0.460 64 G N -0.789 107.989 108.800 -0.038 0.000 2.722 64 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.686 64 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.686 64 G C 0.822 175.731 174.900 0.015 0.000 1.282 64 G CA -0.037 45.072 45.100 0.015 0.000 0.817 64 G HN 0.394 nan 8.290 nan 0.000 0.605 65 A N 0.542 123.384 122.820 0.037 0.000 2.131 65 A HA 0.088 4.408 4.320 -0.000 0.000 0.220 65 A C 1.927 179.543 177.584 0.053 0.000 1.158 65 A CA 2.366 54.437 52.037 0.056 0.000 0.665 65 A CB -0.439 18.633 19.000 0.121 0.000 0.795 65 A HN 1.427 nan 8.150 nan 0.000 0.460 66 D N -2.422 118.005 120.400 0.046 0.000 2.349 66 D HA 0.055 4.695 4.640 -0.000 0.000 0.215 66 D C 0.761 177.038 176.300 -0.038 0.000 1.016 66 D CA 0.058 54.065 54.000 0.011 0.000 0.870 66 D CB -0.469 40.339 40.800 0.013 0.000 0.917 66 D HN 0.624 nan 8.370 nan 0.000 0.524 67 H N 0.648 119.635 119.070 -0.139 0.000 2.764 67 H HA 0.353 4.909 4.556 -0.000 0.000 0.341 67 H C -0.188 174.894 175.328 -0.411 0.000 1.072 67 H CA -0.043 55.844 56.048 -0.268 0.000 1.444 67 H CB 0.664 30.248 29.762 -0.296 0.000 1.458 67 H HN 0.110 nan 8.280 nan 0.000 0.572 68 S N 3.831 118.963 115.700 -0.945 0.000 2.599 68 S HA 0.567 5.037 4.470 -0.000 0.000 0.294 68 S C -1.282 172.735 174.600 -0.971 0.000 1.094 68 S CA -0.975 56.779 58.200 -0.742 0.000 0.931 68 S CB 1.300 64.263 63.200 -0.395 0.000 1.093 68 S HN 0.417 nan 8.310 nan 0.000 0.488 69 F N 0.442 120.262 119.950 -0.215 0.000 2.458 69 F HA 0.716 5.243 4.527 0.000 0.000 0.336 69 F C 0.920 176.588 175.800 -0.219 0.000 1.114 69 F CA -0.497 57.398 58.000 -0.175 0.000 0.987 69 F CB 2.066 41.017 39.000 -0.081 0.000 1.130 69 F HN 0.946 nan 8.300 nan 0.000 0.458 70 G N 0.919 109.662 108.800 -0.095 0.000 2.400 70 G HA2 0.616 4.576 3.960 -0.000 0.000 0.333 70 G HA3 0.616 4.576 3.960 -0.000 0.000 0.333 70 G C -1.149 173.661 174.900 -0.149 0.000 1.143 70 G CA -0.569 44.440 45.100 -0.152 0.000 0.914 70 G HN 0.524 nan 8.290 nan 0.000 0.480 71 T N 1.221 115.717 114.554 -0.097 0.000 2.863 71 T HA 0.583 4.933 4.350 -0.000 0.000 0.285 71 T C -0.606 174.034 174.700 -0.099 0.000 1.009 71 T CA -0.515 61.521 62.100 -0.106 0.000 0.989 71 T CB 2.237 71.066 68.868 -0.065 0.000 1.004 71 T HN 0.533 nan 8.240 nan 0.000 0.455 72 E N 0.907 121.036 120.200 -0.118 0.000 2.343 72 E HA 0.607 4.957 4.350 -0.000 0.000 0.270 72 E C -1.326 175.224 176.600 -0.083 0.000 0.895 72 E CA -0.915 55.435 56.400 -0.083 0.000 0.767 72 E CB 2.520 32.179 29.700 -0.068 0.000 1.248 72 E HN 0.261 nan 8.360 nan 0.000 0.440 73 V N 1.561 121.454 119.914 -0.035 0.000 2.357 73 V HA 0.638 4.758 4.120 -0.000 0.000 0.284 73 V C -0.473 175.685 176.094 0.107 0.000 1.018 73 V CA -0.571 61.745 62.300 0.026 0.000 0.841 73 V CB 1.155 33.016 31.823 0.063 0.000 0.991 73 V HN 0.720 nan 8.190 nan 0.000 0.437 74 A N 4.082 127.015 122.820 0.188 0.000 2.355 74 A HA 0.990 5.310 4.320 -0.000 0.000 0.317 74 A C -0.141 177.653 177.584 0.350 0.000 1.094 74 A CA -0.268 51.910 52.037 0.236 0.000 0.764 74 A CB 1.643 20.784 19.000 0.236 0.000 1.230 74 A HN 1.263 nan 8.150 nan 0.000 0.448 75 A N 0.852 123.796 122.820 0.206 0.000 2.386 75 A HA 0.674 4.994 4.320 -0.000 0.000 0.308 75 A C 0.741 178.142 177.584 -0.306 0.000 1.128 75 A CA 0.073 52.159 52.037 0.081 0.000 0.789 75 A CB 0.942 19.960 19.000 0.031 0.000 1.325 75 A HN 0.994 nan 8.150 nan 0.000 0.437 76 E N 0.450 120.116 120.200 -0.890 0.000 2.051 76 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 76 E C 0.199 176.451 176.600 -0.580 0.000 0.991 76 E CA 1.704 57.293 56.400 -1.351 0.000 0.799 76 E CB 0.070 28.870 29.700 -1.499 0.000 0.748 76 E HN 0.606 nan 8.360 nan 0.000 0.449 77 S N -1.052 114.436 115.700 -0.353 0.000 2.627 77 S HA 0.655 5.125 4.470 -0.000 0.000 0.283 77 S C -0.919 173.610 174.600 -0.118 0.000 1.127 77 S CA -0.569 57.514 58.200 -0.195 0.000 0.863 77 S CB 1.773 64.875 63.200 -0.163 0.000 1.121 77 S HN 0.430 nan 8.310 nan 0.000 0.479 78 A N 2.662 125.437 122.820 -0.075 0.000 2.466 78 A HA 0.493 4.813 4.320 -0.000 0.000 0.238 78 A C -2.210 175.351 177.584 -0.037 0.000 1.074 78 A CA -0.765 51.246 52.037 -0.043 0.000 0.774 78 A CB -0.877 18.104 19.000 -0.031 0.000 1.015 78 A HN 0.542 nan 8.150 nan 0.000 0.498 79 P HA 0.175 nan 4.420 nan 0.000 0.268 79 P C 0.632 177.922 177.300 -0.018 0.000 1.205 79 P CA 0.443 63.533 63.100 -0.016 0.000 0.771 79 P CB 0.601 32.298 31.700 -0.006 0.000 0.858 80 G N 2.813 111.602 108.800 -0.018 0.000 2.580 80 G HA2 0.022 3.982 3.960 -0.000 0.000 0.225 80 G HA3 0.022 3.982 3.960 -0.000 0.000 0.225 80 G C 1.087 175.980 174.900 -0.012 0.000 1.521 80 G CA -0.089 45.001 45.100 -0.016 0.000 1.068 80 G HN 0.609 nan 8.290 nan 0.000 0.564 81 R N -0.724 119.769 120.500 -0.011 0.000 2.148 81 R HA 0.133 4.472 4.340 -0.000 0.000 0.223 81 R C 2.133 178.429 176.300 -0.008 0.000 1.088 81 R CA 0.930 57.025 56.100 -0.009 0.000 0.985 81 R CB -0.182 30.113 30.300 -0.008 0.000 0.880 81 R HN 0.374 nan 8.270 nan 0.000 0.451 82 R N 0.154 120.649 120.500 -0.008 0.000 2.299 82 R HA 0.120 4.460 4.340 -0.000 0.000 0.197 82 R C 0.632 176.928 176.300 -0.007 0.000 0.971 82 R CA 0.598 56.694 56.100 -0.007 0.000 1.030 82 R CB 0.309 30.605 30.300 -0.006 0.000 0.932 82 R HN 0.560 nan 8.270 nan 0.000 0.477 83 G N 1.669 110.465 108.800 -0.007 0.000 2.176 83 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.252 83 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.252 83 G C -0.411 174.485 174.900 -0.005 0.000 1.024 83 G CA -0.006 45.090 45.100 -0.007 0.000 0.755 83 G HN 0.379 nan 8.290 nan 0.000 0.507 84 E N -0.889 119.308 120.200 -0.005 0.000 2.179 84 E HA 0.630 4.980 4.350 -0.000 0.000 0.275 84 E C -0.261 176.339 176.600 -0.000 0.000 0.945 84 E CA -0.793 55.606 56.400 -0.002 0.000 0.792 84 E CB 2.485 32.184 29.700 -0.002 0.000 1.125 84 E HN 0.114 nan 8.360 nan 0.000 0.397 85 V N 2.883 122.803 119.914 0.010 0.000 2.823 85 V HA 0.089 4.209 4.120 -0.000 0.000 0.312 85 V C 0.457 176.574 176.094 0.039 0.000 1.072 85 V CA -0.668 61.644 62.300 0.019 0.000 0.937 85 V CB 1.878 33.723 31.823 0.036 0.000 1.013 85 V HN 0.674 nan 8.190 nan 0.000 0.430 86 Q N 2.373 122.204 119.800 0.053 0.000 1.669 86 Q HA 0.069 4.409 4.340 -0.000 0.000 0.410 86 Q C 0.191 176.276 176.000 0.142 0.000 0.936 86 Q CA 1.382 57.240 55.803 0.091 0.000 0.895 86 Q CB -0.029 28.770 28.738 0.103 0.000 0.941 86 Q HN 0.762 nan 8.270 nan 0.000 0.409 87 D N 0.099 120.653 120.400 0.257 0.000 2.294 87 D HA 0.336 4.976 4.640 -0.000 0.000 0.250 87 D C -0.694 175.830 176.300 0.373 0.000 1.058 87 D CA -0.169 54.030 54.000 0.331 0.000 0.950 87 D CB 0.968 42.102 40.800 0.558 0.000 1.158 87 D HN 0.300 nan 8.370 nan 0.000 0.453 88 L N 1.478 122.852 121.223 0.252 0.000 2.386 88 L HA 0.369 4.709 4.340 -0.000 0.000 0.271 88 L C -1.466 175.520 176.870 0.193 0.000 0.993 88 L CA -0.815 54.198 54.840 0.288 0.000 0.819 88 L CB 1.505 43.680 42.059 0.194 0.000 1.294 88 L HN 0.339 nan 8.230 nan 0.000 0.414 89 Y N 3.431 123.892 120.300 0.268 0.000 2.376 89 Y HA 0.404 4.954 4.550 -0.000 0.000 0.340 89 Y C -0.314 175.638 175.900 0.087 0.000 0.965 89 Y CA -0.632 57.583 58.100 0.193 0.000 1.078 89 Y CB 2.131 40.672 38.460 0.135 0.000 1.193 89 Y HN 0.330 nan 8.280 nan 0.000 0.452 90 L N 4.961 126.258 121.223 0.124 0.000 2.262 90 L HA 0.666 5.006 4.340 -0.000 0.000 0.288 90 L C -1.302 175.556 176.870 -0.019 0.000 1.035 90 L CA -0.529 54.266 54.840 -0.075 0.000 0.820 90 L CB 0.666 42.586 42.059 -0.231 0.000 1.204 90 L HN 0.404 nan 8.230 nan 0.000 0.424 91 V N 5.189 125.075 119.914 -0.047 0.000 2.328 91 V HA 0.647 4.767 4.120 -0.000 0.000 0.278 91 V C 0.749 176.767 176.094 -0.127 0.000 1.021 91 V CA -0.393 61.877 62.300 -0.050 0.000 0.838 91 V CB 1.063 32.860 31.823 -0.044 0.000 0.999 91 V HN 0.888 nan 8.190 nan 0.000 0.447 92 G N 3.877 112.597 108.800 -0.133 0.000 2.332 92 G HA2 0.559 4.519 3.960 -0.000 0.000 0.310 92 G HA3 0.559 4.519 3.960 -0.000 0.000 0.310 92 G C 0.038 174.761 174.900 -0.295 0.000 1.123 92 G CA -0.633 44.353 45.100 -0.191 0.000 0.873 92 G HN 0.690 nan 8.290 nan 0.000 0.460 93 R N 1.761 122.014 120.500 -0.412 0.000 2.903 93 R HA 0.349 4.689 4.340 -0.000 0.000 0.363 93 R C 0.959 176.999 176.300 -0.434 0.000 1.161 93 R CA 0.159 55.788 56.100 -0.784 0.000 1.109 93 R CB 0.889 30.450 30.300 -1.232 0.000 1.399 93 R HN 0.951 nan 8.270 nan 0.000 0.587 94 G N 1.076 109.650 108.800 -0.378 0.000 2.142 94 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.225 94 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.225 94 G C -0.441 174.195 174.900 -0.441 0.000 1.015 94 G CA -0.142 44.768 45.100 -0.316 0.000 0.716 94 G HN 0.427 nan 8.290 nan 0.000 0.508 95 D N 0.736 120.965 120.400 -0.285 0.000 2.339 95 D HA 0.398 5.038 4.640 -0.000 0.000 0.256 95 D C -0.670 175.466 176.300 -0.273 0.000 1.214 95 D CA -1.776 52.065 54.000 -0.265 0.000 0.877 95 D CB 1.279 42.047 40.800 -0.052 0.000 1.111 95 D HN 0.196 nan 8.370 nan 0.000 0.478 96 P HA 0.091 nan 4.420 nan 0.000 0.262 96 P C 0.275 177.466 177.300 -0.181 0.000 1.304 96 P CA 0.242 63.192 63.100 -0.250 0.000 0.859 96 P CB 0.176 31.596 31.700 -0.467 0.000 1.310 97 T N -4.372 110.023 114.554 -0.265 0.000 3.275 97 T HA 0.179 4.529 4.350 -0.000 0.000 0.298 97 T C 0.253 174.876 174.700 -0.128 0.000 0.988 97 T CA -0.365 61.448 62.100 -0.479 0.000 0.936 97 T CB -0.372 67.839 68.868 -1.095 0.000 1.159 97 T HN -0.048 nan 8.240 nan 0.000 0.519 98 L N 4.175 125.393 121.223 -0.007 0.000 2.456 98 L HA 0.425 4.765 4.340 -0.000 0.000 0.277 98 L C 0.458 177.368 176.870 0.065 0.000 1.124 98 L CA 0.100 54.951 54.840 0.019 0.000 0.880 98 L CB 0.416 42.471 42.059 -0.008 0.000 1.192 98 L HN 0.584 nan 8.230 nan 0.000 0.463 99 S N 3.828 119.561 115.700 0.055 0.000 2.707 99 S HA 0.481 4.951 4.470 -0.000 0.000 0.276 99 S C 1.065 175.674 174.600 0.014 0.000 1.179 99 S CA -0.138 58.108 58.200 0.077 0.000 0.992 99 S CB 1.723 64.987 63.200 0.106 0.000 1.030 99 S HN 0.696 nan 8.310 nan 0.000 0.554 100 A N 0.448 123.285 122.820 0.028 0.000 2.014 100 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 100 A C 2.094 179.684 177.584 0.010 0.000 1.163 100 A CA 0.901 52.954 52.037 0.026 0.000 0.652 100 A CB -0.781 18.241 19.000 0.037 0.000 0.808 100 A HN 0.856 nan 8.150 nan 0.000 0.449 101 E N 0.642 120.839 120.200 -0.004 0.000 2.072 101 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 101 E C 1.220 177.794 176.600 -0.043 0.000 0.985 101 E CA 1.242 57.633 56.400 -0.013 0.000 0.801 101 E CB -0.380 29.314 29.700 -0.010 0.000 0.750 101 E HN 0.564 nan 8.360 nan 0.000 0.452 102 D N 0.933 121.271 120.400 -0.104 0.000 2.144 102 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 102 D C 2.188 178.395 176.300 -0.155 0.000 0.984 102 D CA 0.618 54.456 54.000 -0.270 0.000 0.834 102 D CB -0.174 40.309 40.800 -0.528 0.000 0.955 102 D HN 0.170 nan 8.370 nan 0.000 0.465 103 L N 0.451 121.644 121.223 -0.050 0.000 2.141 103 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 103 L C 2.116 179.093 176.870 0.178 0.000 1.094 103 L CA 1.025 55.917 54.840 0.086 0.000 0.763 103 L CB -0.281 41.860 42.059 0.136 0.000 0.908 103 L HN -0.037 nan 8.230 nan 0.000 0.437 104 D N 0.016 120.462 120.400 0.076 0.000 2.144 104 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 104 D C 2.156 178.488 176.300 0.054 0.000 0.978 104 D CA 1.192 55.222 54.000 0.051 0.000 0.833 104 D CB 0.231 41.039 40.800 0.015 0.000 0.961 104 D HN 0.226 nan 8.370 nan 0.000 0.470 105 A N -0.095 122.749 122.820 0.040 0.000 1.930 105 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 105 A C 2.241 179.872 177.584 0.078 0.000 1.175 105 A CA 1.003 53.066 52.037 0.043 0.000 0.627 105 A CB -0.527 18.488 19.000 0.026 0.000 0.815 105 A HN 0.291 nan 8.150 nan 0.000 0.443 106 M N -0.722 118.945 119.600 0.112 0.000 2.394 106 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 106 M C 2.375 178.855 176.300 0.300 0.000 1.073 106 M CA 1.037 56.439 55.300 0.170 0.000 1.111 106 M CB -0.247 32.414 32.600 0.103 0.000 1.401 106 M HN 0.511 nan 8.290 nan 0.000 0.448 107 A N 0.267 123.265 122.820 0.297 0.000 1.898 107 A HA 0.075 4.395 4.320 -0.000 0.000 0.214 107 A C 2.330 179.931 177.584 0.029 0.000 1.183 107 A CA 1.516 53.609 52.037 0.094 0.000 0.622 107 A CB -0.710 18.222 19.000 -0.113 0.000 0.824 107 A HN 0.447 nan 8.150 nan 0.000 0.444 108 A N -0.285 122.556 122.820 0.036 0.000 1.972 108 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 108 A C 1.909 179.513 177.584 0.033 0.000 1.169 108 A CA 1.582 53.631 52.037 0.019 0.000 0.635 108 A CB -0.467 18.543 19.000 0.017 0.000 0.810 108 A HN 0.610 nan 8.150 nan 0.000 0.446 109 E N -0.452 119.783 120.200 0.059 0.000 2.150 109 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 109 E C 1.891 178.528 176.600 0.062 0.000 0.985 109 E CA 1.119 57.555 56.400 0.059 0.000 0.814 109 E CB -0.100 29.644 29.700 0.072 0.000 0.752 109 E HN 0.436 nan 8.360 nan 0.000 0.466 110 V N 0.899 120.863 119.914 0.082 0.000 2.453 110 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 110 V C 2.262 178.376 176.094 0.033 0.000 1.048 110 V CA 1.645 63.992 62.300 0.077 0.000 1.049 110 V CB -0.442 31.450 31.823 0.115 0.000 0.672 110 V HN 0.282 nan 8.190 nan 0.000 0.457 111 A N 0.171 123.000 122.820 0.014 0.000 1.898 111 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 111 A C 2.312 179.899 177.584 0.004 0.000 1.181 111 A CA 1.842 53.878 52.037 -0.002 0.000 0.620 111 A CB -0.684 18.308 19.000 -0.014 0.000 0.819 111 A HN 0.564 nan 8.150 nan 0.000 0.442 112 A N 0.104 122.930 122.820 0.011 0.000 2.168 112 A HA 0.094 4.414 4.320 -0.000 0.000 0.215 112 A C 2.036 179.627 177.584 0.011 0.000 1.152 112 A CA 1.562 53.605 52.037 0.010 0.000 0.716 112 A CB -0.602 18.405 19.000 0.013 0.000 0.794 112 A HN 0.821 nan 8.150 nan 0.000 0.465 113 S N -2.567 113.142 115.700 0.016 0.000 2.556 113 S HA 0.434 4.904 4.470 -0.000 0.000 0.216 113 S C 1.283 175.888 174.600 0.009 0.000 0.970 113 S CA 0.758 58.967 58.200 0.014 0.000 0.912 113 S CB 0.149 63.362 63.200 0.022 0.000 0.790 113 S HN 1.647 nan 8.310 nan 0.000 0.504 114 G N 0.618 109.421 108.800 0.006 0.000 2.201 114 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.212 114 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.212 114 G C -0.028 174.872 174.900 -0.001 0.000 0.994 114 G CA -0.243 44.857 45.100 0.001 0.000 0.644 114 G HN 0.616 nan 8.290 nan 0.000 0.508 115 V N 2.359 122.276 119.914 0.004 0.000 2.439 115 V HA 0.416 4.536 4.120 -0.000 0.000 0.271 115 V C 1.533 177.622 176.094 -0.009 0.000 1.040 115 V CA 0.846 63.147 62.300 0.002 0.000 1.002 115 V CB 0.906 32.737 31.823 0.014 0.000 1.000 115 V HN 0.644 nan 8.190 nan 0.000 0.477 116 R N 2.282 122.775 120.500 -0.013 0.000 2.316 116 R HA 0.255 4.595 4.340 -0.000 0.000 0.201 116 R C -0.007 176.277 176.300 -0.025 0.000 0.888 116 R CA -0.077 56.010 56.100 -0.021 0.000 1.041 116 R CB 0.534 30.823 30.300 -0.018 0.000 1.115 116 R HN 0.569 nan 8.270 nan 0.000 0.559 117 T N 1.423 115.966 114.554 -0.018 0.000 2.928 117 T HA 0.253 4.603 4.350 -0.000 0.000 0.296 117 T C -1.230 173.465 174.700 -0.009 0.000 1.000 117 T CA -0.700 61.389 62.100 -0.018 0.000 0.989 117 T CB 2.452 71.312 68.868 -0.014 0.000 1.005 117 T HN 0.065 nan 8.240 nan 0.000 0.442 118 V N 4.408 124.314 119.914 -0.013 0.000 2.334 118 V HA 0.465 4.585 4.120 -0.000 0.000 0.267 118 V C 1.195 177.289 176.094 0.000 0.000 1.040 118 V CA -0.391 61.911 62.300 0.003 0.000 0.866 118 V CB 0.854 32.682 31.823 0.008 0.000 1.019 118 V HN 0.807 nan 8.190 nan 0.000 0.468 119 R N 5.046 125.553 120.500 0.013 0.000 2.115 119 R HA 0.210 4.549 4.340 -0.000 0.000 0.230 119 R C 1.202 177.513 176.300 0.018 0.000 1.111 119 R CA 1.573 57.681 56.100 0.013 0.000 0.976 119 R CB -0.328 29.984 30.300 0.020 0.000 0.870 119 R HN 0.861 nan 8.270 nan 0.000 0.445 120 G N -1.250 107.570 108.800 0.033 0.000 2.782 120 G HA2 0.183 4.143 3.960 -0.000 0.000 0.201 120 G HA3 0.183 4.143 3.960 -0.000 0.000 0.201 120 G C -0.945 173.944 174.900 -0.019 0.000 1.374 120 G CA -0.580 44.543 45.100 0.039 0.000 1.039 120 G HN 0.144 nan 8.290 nan 0.000 0.576 121 D N -0.188 120.176 120.400 -0.061 0.000 2.253 121 D HA 0.328 4.968 4.640 -0.000 0.000 0.249 121 D C -0.661 175.424 176.300 -0.358 0.000 1.049 121 D CA -0.269 53.566 54.000 -0.275 0.000 0.929 121 D CB 2.620 43.116 40.800 -0.507 0.000 1.176 121 D HN 0.103 nan 8.370 nan 0.000 0.437 122 L N 2.213 123.210 121.223 -0.377 0.000 2.276 122 L HA 0.285 4.625 4.340 -0.000 0.000 0.286 122 L C -1.498 175.082 176.870 -0.484 0.000 1.061 122 L CA -0.233 54.437 54.840 -0.284 0.000 0.807 122 L CB 0.253 42.251 42.059 -0.100 0.000 1.177 122 L HN 0.242 nan 8.230 nan 0.000 0.429 123 Y N 3.538 123.650 120.300 -0.313 0.000 2.429 123 Y HA 0.727 5.277 4.550 -0.000 0.000 0.342 123 Y C 0.231 176.037 175.900 -0.157 0.000 1.004 123 Y CA -0.815 57.077 58.100 -0.347 0.000 1.075 123 Y CB 2.000 39.968 38.460 -0.820 0.000 1.214 123 Y HN 0.711 nan 8.280 nan 0.000 0.455 124 A N 2.351 125.237 122.820 0.110 0.000 2.258 124 A HA 0.344 4.664 4.320 -0.000 0.000 0.316 124 A C -1.149 176.502 177.584 0.111 0.000 1.279 124 A CA -0.559 51.527 52.037 0.082 0.000 0.876 124 A CB 0.221 19.250 19.000 0.048 0.000 1.170 124 A HN 0.653 nan 8.150 nan 0.000 0.520 125 D N 2.843 123.309 120.400 0.110 0.000 2.412 125 D HA 0.248 4.888 4.640 -0.000 0.000 0.224 125 D C -0.585 175.738 176.300 0.038 0.000 1.093 125 D CA -0.234 53.829 54.000 0.105 0.000 0.850 125 D CB 1.172 42.060 40.800 0.148 0.000 1.046 125 D HN 0.533 nan 8.370 nan 0.000 0.507 126 D N 1.474 121.896 120.400 0.037 0.000 2.593 126 D HA -0.054 4.586 4.640 -0.000 0.000 0.241 126 D C 1.190 177.516 176.300 0.044 0.000 1.257 126 D CA -0.183 53.823 54.000 0.009 0.000 0.828 126 D CB -0.186 40.617 40.800 0.004 0.000 1.049 126 D HN 0.293 nan 8.370 nan 0.000 0.490 127 T N -4.091 110.503 114.554 0.068 0.000 3.072 127 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 127 T C 1.451 176.228 174.700 0.129 0.000 1.127 127 T CA -0.040 62.106 62.100 0.077 0.000 1.107 127 T CB -0.874 68.022 68.868 0.047 0.000 0.910 127 T HN 0.403 nan 8.240 nan 0.000 0.513 128 W N 1.081 122.336 121.300 -0.075 0.000 2.350 128 W HA 0.045 4.705 4.660 -0.000 0.000 0.289 128 W C -0.699 175.905 176.519 0.141 0.000 1.215 128 W CA 0.316 57.625 57.345 -0.060 0.000 1.236 128 W CB 0.017 29.352 29.460 -0.209 0.000 1.130 128 W HN 0.142 nan 8.180 nan 0.000 0.541 129 F N 1.422 121.370 119.950 -0.004 0.000 2.541 129 F HA 0.189 4.716 4.527 -0.000 0.000 0.331 129 F C 0.746 176.479 175.800 -0.111 0.000 1.057 129 F CA -2.203 55.713 58.000 -0.141 0.000 0.975 129 F CB -0.279 38.644 39.000 -0.128 0.000 1.246 129 F HN -0.227 nan 8.300 nan 0.000 0.484 130 D N -0.931 119.497 120.400 0.047 0.000 2.372 130 D HA 0.074 4.714 4.640 -0.000 0.000 0.243 130 D C 0.555 176.873 176.300 0.030 0.000 1.297 130 D CA -0.126 53.876 54.000 0.004 0.000 0.958 130 D CB 0.113 40.884 40.800 -0.047 0.000 1.114 130 D HN 0.346 nan 8.370 nan 0.000 0.496 131 S N -2.551 113.165 115.700 0.028 0.000 2.574 131 S HA 0.063 4.533 4.470 -0.000 0.000 0.242 131 S C 0.334 174.967 174.600 0.055 0.000 0.982 131 S CA -0.691 57.537 58.200 0.047 0.000 0.977 131 S CB -0.527 62.702 63.200 0.049 0.000 0.814 131 S HN 0.526 nan 8.310 nan 0.000 0.464 132 E N 1.738 121.965 120.200 0.045 0.000 2.104 132 E HA 0.180 4.530 4.350 -0.000 0.000 0.278 132 E C 0.541 177.244 176.600 0.171 0.000 1.127 132 E CA -0.456 56.012 56.400 0.113 0.000 0.897 132 E CB 0.356 30.154 29.700 0.162 0.000 1.043 132 E HN 0.196 nan 8.360 nan 0.000 0.410 133 R N 2.687 123.297 120.500 0.183 0.000 2.127 133 R HA 0.168 4.508 4.340 -0.000 0.000 0.217 133 R C 0.393 176.900 176.300 0.346 0.000 1.074 133 R CA 0.669 56.900 56.100 0.219 0.000 0.991 133 R CB -0.175 30.228 30.300 0.172 0.000 0.895 133 R HN 0.440 nan 8.270 nan 0.000 0.450 134 L N -0.692 120.681 121.223 0.250 0.000 2.393 134 L HA 0.410 4.750 4.340 -0.000 0.000 0.260 134 L C -0.459 176.071 176.870 -0.567 0.000 1.002 134 L CA -1.129 53.706 54.840 -0.010 0.000 0.818 134 L CB 2.499 44.684 42.059 0.209 0.000 1.369 134 L HN -0.378 nan 8.230 nan 0.000 0.412 135 V N 1.099 120.020 119.914 -1.656 0.000 2.637 135 V HA -0.014 4.106 4.120 -0.000 0.000 0.296 135 V C 0.738 176.394 176.094 -0.731 0.000 1.046 135 V CA 0.057 61.399 62.300 -1.596 0.000 1.066 135 V CB 1.032 31.471 31.823 -2.306 0.000 0.968 135 V HN 0.773 nan 8.190 nan 0.000 0.483 136 D N 3.284 123.423 120.400 -0.434 0.000 2.157 136 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 136 D C 1.571 177.825 176.300 -0.078 0.000 1.004 136 D CA 2.128 56.017 54.000 -0.185 0.000 0.854 136 D CB -0.061 40.657 40.800 -0.137 0.000 0.936 136 D HN 0.926 nan 8.370 nan 0.000 0.446 137 D N -1.158 119.200 120.400 -0.071 0.000 2.328 137 D HA -0.100 4.540 4.640 -0.000 0.000 0.221 137 D C 0.240 176.768 176.300 0.381 0.000 1.072 137 D CA -0.341 53.730 54.000 0.118 0.000 0.850 137 D CB -0.559 40.300 40.800 0.098 0.000 0.922 137 D HN 0.077 nan 8.370 nan 0.000 0.516 138 W N 0.848 122.209 121.300 0.102 0.000 2.137 138 W HA 0.232 4.892 4.660 -0.000 0.000 0.344 138 W C 0.224 176.945 176.519 0.335 0.000 1.286 138 W CA -1.060 56.392 57.345 0.178 0.000 1.240 138 W CB -0.019 29.484 29.460 0.071 0.000 1.141 138 W HN -0.061 nan 8.180 nan 0.000 0.579 139 W N 4.127 125.558 121.300 0.219 0.000 2.331 139 W HA 0.252 4.912 4.660 -0.000 0.000 0.306 139 W C -1.152 175.441 176.519 0.124 0.000 1.162 139 W CA -2.578 54.847 57.345 0.133 0.000 1.232 139 W CB -0.110 29.407 29.460 0.095 0.000 1.235 139 W HN 0.202 nan 8.180 nan 0.000 0.479 140 P HA -0.233 nan 4.420 nan 0.000 0.218 140 P C 1.019 178.420 177.300 0.168 0.000 1.146 140 P CA 1.720 64.922 63.100 0.170 0.000 0.813 140 P CB 0.478 32.233 31.700 0.091 0.000 0.778 141 E N -0.714 119.623 120.200 0.228 0.000 2.204 141 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 141 E C 1.357 178.128 176.600 0.285 0.000 0.990 141 E CA 1.022 57.566 56.400 0.239 0.000 0.821 141 E CB -0.635 29.241 29.700 0.293 0.000 0.750 141 E HN 0.336 nan 8.360 nan 0.000 0.477 142 D N 0.108 120.678 120.400 0.283 0.000 2.348 142 D HA -0.041 4.599 4.640 -0.000 0.000 0.211 142 D C 1.157 177.490 176.300 0.054 0.000 0.998 142 D CA 0.248 54.416 54.000 0.281 0.000 0.873 142 D CB 0.029 40.977 40.800 0.246 0.000 0.925 142 D HN 0.296 nan 8.370 nan 0.000 0.524 143 E N 0.684 120.892 120.200 0.015 0.000 2.171 143 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 143 E C -0.784 175.682 176.600 -0.225 0.000 0.997 143 E CA 0.919 57.280 56.400 -0.065 0.000 0.810 143 E CB -0.693 29.017 29.700 0.017 0.000 0.738 143 E HN 0.315 nan 8.360 nan 0.000 0.467 144 P HA -0.116 nan 4.420 nan 0.000 0.226 144 P C -0.441 176.419 177.300 -0.734 0.000 1.153 144 P CA 1.097 63.818 63.100 -0.631 0.000 0.777 144 P CB -0.009 31.156 31.700 -0.891 0.000 0.794 145 Y N -1.604 118.513 120.300 -0.307 0.000 2.352 145 Y HA 0.486 5.036 4.550 -0.000 0.000 0.326 145 Y C 1.926 177.508 175.900 -0.531 0.000 1.166 145 Y CA -0.972 56.861 58.100 -0.445 0.000 1.182 145 Y CB 0.423 38.512 38.460 -0.618 0.000 1.216 145 Y HN -0.226 nan 8.280 nan 0.000 0.474 146 A N 2.185 124.918 122.820 -0.145 0.000 1.948 146 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 146 A C 1.706 179.244 177.584 -0.076 0.000 1.177 146 A CA 2.174 54.167 52.037 -0.073 0.000 0.636 146 A CB -1.343 17.669 19.000 0.020 0.000 0.815 146 A HN 0.958 nan 8.150 nan 0.000 0.449 147 Y N -2.206 118.097 120.300 0.006 0.000 2.571 147 Y HA 0.233 4.783 4.550 -0.000 0.000 0.294 147 Y C 1.889 177.701 175.900 -0.147 0.000 1.141 147 Y CA 0.878 58.941 58.100 -0.061 0.000 1.308 147 Y CB -0.550 37.858 38.460 -0.087 0.000 1.002 147 Y HN 0.183 nan 8.280 nan 0.000 0.551 148 S N 0.381 115.847 115.700 -0.390 0.000 2.602 148 S HA 0.576 5.046 4.470 -0.000 0.000 0.240 148 S C 0.763 175.323 174.600 -0.066 0.000 0.992 148 S CA -0.223 57.797 58.200 -0.301 0.000 0.971 148 S CB -0.994 62.024 63.200 -0.304 0.000 0.855 148 S HN 0.592 nan 8.310 nan 0.000 0.481 149 A N 1.506 124.312 122.820 -0.024 0.000 2.586 149 A HA 0.193 4.513 4.320 -0.000 0.000 0.231 149 A C 0.394 178.102 177.584 0.207 0.000 1.055 149 A CA 0.295 52.376 52.037 0.072 0.000 0.756 149 A CB 0.052 19.093 19.000 0.068 0.000 0.988 149 A HN 0.702 nan 8.150 nan 0.000 0.509 150 Q N 0.313 120.229 119.800 0.193 0.000 2.364 150 Q HA 0.235 4.575 4.340 -0.000 0.000 0.267 150 Q C -0.477 175.662 176.000 0.233 0.000 0.999 150 Q CA -0.113 55.833 55.803 0.239 0.000 0.886 150 Q CB 0.659 29.500 28.738 0.172 0.000 1.243 150 Q HN 0.546 nan 8.270 nan 0.000 0.415 151 I N 1.746 122.470 120.570 0.257 0.000 2.315 151 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 151 I C 0.114 176.318 176.117 0.145 0.000 1.006 151 I CA 0.226 61.642 61.300 0.193 0.000 1.265 151 I CB 0.810 38.885 38.000 0.125 0.000 1.387 151 I HN 0.449 nan 8.210 nan 0.000 0.475 152 S N 3.744 119.547 115.700 0.171 0.000 2.564 152 S HA 0.693 5.163 4.470 -0.000 0.000 0.274 152 S C 0.709 175.356 174.600 0.079 0.000 1.124 152 S CA -0.032 58.254 58.200 0.142 0.000 0.869 152 S CB 1.885 65.132 63.200 0.078 0.000 1.105 152 S HN 0.672 nan 8.310 nan 0.000 0.472 153 A N 2.999 125.736 122.820 -0.139 0.000 2.015 153 A HA 0.267 4.587 4.320 -0.000 0.000 0.219 153 A C 0.736 178.150 177.584 -0.283 0.000 1.163 153 A CA 0.735 52.412 52.037 -0.599 0.000 0.646 153 A CB -0.259 18.333 19.000 -0.680 0.000 0.806 153 A HN 0.688 nan 8.150 nan 0.000 0.448 154 L N 0.710 121.854 121.223 -0.132 0.000 2.295 154 L HA 0.474 4.814 4.340 -0.000 0.000 0.281 154 L C -0.845 176.001 176.870 -0.039 0.000 1.018 154 L CA -0.030 54.756 54.840 -0.089 0.000 0.841 154 L CB 1.418 43.438 42.059 -0.066 0.000 1.218 154 L HN 0.189 nan 8.230 nan 0.000 0.424 155 T N 3.120 117.656 114.554 -0.031 0.000 2.956 155 T HA 0.437 4.787 4.350 -0.000 0.000 0.312 155 T C -1.093 173.621 174.700 0.023 0.000 1.151 155 T CA -0.286 61.820 62.100 0.011 0.000 1.024 155 T CB 1.784 70.681 68.868 0.048 0.000 1.140 155 T HN 0.138 nan 8.240 nan 0.000 0.473 156 V N 3.964 123.902 119.914 0.040 0.000 2.432 156 V HA 0.718 4.838 4.120 -0.000 0.000 0.275 156 V C 0.705 176.873 176.094 0.123 0.000 1.043 156 V CA -0.599 61.740 62.300 0.065 0.000 0.925 156 V CB 1.042 32.897 31.823 0.054 0.000 0.985 156 V HN 1.077 nan 8.190 nan 0.000 0.466 157 A N 3.826 126.749 122.820 0.172 0.000 2.290 157 A HA 0.574 4.894 4.320 -0.000 0.000 0.310 157 A C -0.450 177.290 177.584 0.259 0.000 1.202 157 A CA -0.382 51.818 52.037 0.271 0.000 0.837 157 A CB 0.054 19.303 19.000 0.414 0.000 1.139 157 A HN 1.026 nan 8.150 nan 0.000 0.509 158 H N 1.674 120.825 119.070 0.135 0.000 2.489 158 H HA 0.535 5.091 4.556 -0.000 0.000 0.322 158 H C 0.742 176.068 175.328 -0.002 0.000 1.091 158 H CA 1.074 57.158 56.048 0.060 0.000 1.291 158 H CB 0.867 30.651 29.762 0.036 0.000 1.436 158 H HN 1.554 nan 8.280 nan 0.000 0.480 159 G N 3.704 112.119 108.800 -0.643 0.000 2.855 159 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.352 159 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.352 159 G C 0.618 175.222 174.900 -0.493 0.000 1.415 159 G CA 0.135 44.927 45.100 -0.514 0.000 0.871 159 G HN 0.832 nan 8.290 nan 0.000 0.543 160 E N -0.379 119.580 120.200 -0.402 0.000 2.418 160 E HA 0.049 4.399 4.350 -0.000 0.000 0.197 160 E C 2.201 178.622 176.600 -0.298 0.000 1.026 160 E CA 0.986 57.090 56.400 -0.492 0.000 0.862 160 E CB 0.051 29.631 29.700 -0.200 0.000 0.799 160 E HN 0.545 nan 8.360 nan 0.000 0.518 161 R N -0.203 120.214 120.500 -0.137 0.000 2.246 161 R HA 0.129 4.469 4.340 -0.000 0.000 0.199 161 R C -0.166 176.258 176.300 0.208 0.000 0.984 161 R CA 0.333 56.435 56.100 0.004 0.000 1.015 161 R CB -0.173 29.924 30.300 -0.339 0.000 0.930 161 R HN 0.136 nan 8.270 nan 0.000 0.475 162 F N 1.029 121.101 119.950 0.202 0.000 3.023 162 F HA -0.196 4.330 4.527 -0.000 0.000 0.297 162 F C -0.761 175.159 175.800 0.199 0.000 0.858 162 F CA -0.079 58.065 58.000 0.239 0.000 1.222 162 F CB -1.523 37.695 39.000 0.362 0.000 1.263 162 F HN 0.046 nan 8.300 nan 0.000 0.565 163 D N 1.854 122.398 120.400 0.240 0.000 2.363 163 D HA 0.115 4.754 4.640 -0.000 0.000 0.263 163 D C 0.918 177.325 176.300 0.179 0.000 1.258 163 D CA 0.774 54.864 54.000 0.149 0.000 0.907 163 D CB 0.911 41.773 40.800 0.104 0.000 1.107 163 D HN 0.319 nan 8.370 nan 0.000 0.495 164 T N -1.219 113.426 114.554 0.152 0.000 2.910 164 T HA 0.450 4.800 4.350 -0.000 0.000 0.293 164 T C 1.260 176.027 174.700 0.111 0.000 1.015 164 T CA -0.094 62.099 62.100 0.156 0.000 1.094 164 T CB 1.613 70.584 68.868 0.173 0.000 0.968 164 T HN 0.545 nan 8.240 nan 0.000 0.521 165 G N 0.863 109.724 108.800 0.101 0.000 2.168 165 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.257 165 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.257 165 G C 0.118 175.053 174.900 0.059 0.000 0.997 165 G CA 0.369 45.517 45.100 0.081 0.000 0.708 165 G HN 1.887 nan 8.290 nan 0.000 0.520 166 V N -3.849 116.096 119.914 0.052 0.000 3.113 166 V HA 0.988 5.108 4.120 -0.000 0.000 0.316 166 V C 0.039 176.135 176.094 0.003 0.000 1.125 166 V CA -0.095 62.212 62.300 0.012 0.000 1.026 166 V CB 2.011 33.821 31.823 -0.022 0.000 1.080 166 V HN 0.764 nan 8.190 nan 0.000 0.444 167 T N 0.402 114.935 114.554 -0.035 0.000 2.907 167 T HA 0.426 4.776 4.350 -0.000 0.000 0.292 167 T C -0.853 173.763 174.700 -0.140 0.000 1.043 167 T CA -0.411 61.660 62.100 -0.047 0.000 1.003 167 T CB 1.666 70.540 68.868 0.010 0.000 1.084 167 T HN 1.069 nan 8.240 nan 0.000 0.483 168 E N 2.828 122.915 120.200 -0.188 0.000 2.167 168 E HA 0.469 4.819 4.350 -0.000 0.000 0.284 168 E C -0.970 175.586 176.600 -0.074 0.000 1.016 168 E CA -0.581 55.699 56.400 -0.200 0.000 0.817 168 E CB 0.802 30.344 29.700 -0.264 0.000 1.080 168 E HN 0.386 nan 8.360 nan 0.000 0.397 169 V N 3.858 123.737 119.914 -0.059 0.000 2.407 169 V HA 0.223 4.343 4.120 -0.000 0.000 0.278 169 V C -0.203 175.881 176.094 -0.016 0.000 1.037 169 V CA -0.520 61.764 62.300 -0.027 0.000 0.900 169 V CB 1.555 33.364 31.823 -0.024 0.000 0.983 169 V HN 0.603 nan 8.190 nan 0.000 0.459 170 S N 3.954 119.652 115.700 -0.004 0.000 2.456 170 S HA 0.605 5.075 4.470 -0.000 0.000 0.316 170 S C -0.397 174.205 174.600 0.003 0.000 1.089 170 S CA -0.542 57.659 58.200 0.002 0.000 1.101 170 S CB 1.610 64.815 63.200 0.008 0.000 0.995 170 S HN 0.456 nan 8.310 nan 0.000 0.468 171 V N 3.484 123.400 119.914 0.004 0.000 2.384 171 V HA 0.523 4.643 4.120 -0.000 0.000 0.287 171 V C 0.084 176.182 176.094 0.006 0.000 1.020 171 V CA -0.452 61.851 62.300 0.005 0.000 0.850 171 V CB 1.565 33.391 31.823 0.005 0.000 0.987 171 V HN 0.830 nan 8.190 nan 0.000 0.436 172 T N 7.550 122.108 114.554 0.006 0.000 2.812 172 T HA 0.464 4.814 4.350 -0.000 0.000 0.282 172 T C -2.683 172.020 174.700 0.005 0.000 0.990 172 T CA -1.157 60.947 62.100 0.006 0.000 0.960 172 T CB 2.154 71.025 68.868 0.006 0.000 0.948 172 T HN 0.466 nan 8.240 nan 0.000 0.438 173 P HA 0.342 nan 4.420 nan 0.000 0.269 173 P C -0.545 176.758 177.300 0.004 0.000 1.209 173 P CA -0.197 62.906 63.100 0.004 0.000 0.776 173 P CB 0.852 32.554 31.700 0.004 0.000 0.876 174 A N 2.856 125.678 122.820 0.004 0.000 3.888 174 A HA 0.746 5.066 4.320 -0.000 0.000 0.158 174 A C 0.204 177.790 177.584 0.003 0.000 1.485 174 A CA -0.056 51.983 52.037 0.003 0.000 1.261 174 A CB -0.413 18.588 19.000 0.003 0.000 1.670 174 A HN 0.575 nan 8.150 nan 0.000 0.661 175 A N -0.403 122.419 122.820 0.003 0.000 2.302 175 A HA 0.510 4.830 4.320 -0.000 0.000 0.285 175 A C 0.185 177.770 177.584 0.002 0.000 1.105 175 A CA -0.231 51.807 52.037 0.002 0.000 0.816 175 A CB -0.080 18.922 19.000 0.002 0.000 1.067 175 A HN 0.700 nan 8.150 nan 0.000 0.489 176 E N 0.277 120.478 120.200 0.002 0.000 2.558 176 E HA 0.260 4.610 4.350 -0.000 0.000 0.255 176 E C 1.287 177.888 176.600 0.002 0.000 0.968 176 E CA 1.223 57.624 56.400 0.002 0.000 0.939 176 E CB -0.113 29.588 29.700 0.002 0.000 0.921 176 E HN 1.396 nan 8.360 nan 0.000 0.477 177 G N 4.076 112.877 108.800 0.002 0.000 2.383 177 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.229 177 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.229 177 G C -0.008 174.893 174.900 0.002 0.000 1.089 177 G CA 0.222 45.323 45.100 0.002 0.000 0.640 177 G HN 0.631 nan 8.290 nan 0.000 0.510 178 E N 2.434 122.635 120.200 0.002 0.000 2.398 178 E HA 0.346 4.696 4.350 -0.000 0.000 0.263 178 E C -2.312 174.289 176.600 0.002 0.000 1.046 178 E CA -1.473 54.928 56.400 0.002 0.000 0.908 178 E CB 0.576 30.277 29.700 0.002 0.000 0.963 178 E HN 0.219 nan 8.360 nan 0.000 0.431 179 P HA -0.045 nan 4.420 nan 0.000 0.267 179 P C -0.911 176.390 177.300 0.002 0.000 1.200 179 P CA 0.175 63.276 63.100 0.001 0.000 0.772 179 P CB 0.547 32.247 31.700 0.001 0.000 0.855 180 A N 2.135 124.956 122.820 0.002 0.000 2.425 180 A HA 0.172 4.492 4.320 -0.000 0.000 0.242 180 A C 0.244 177.830 177.584 0.003 0.000 1.077 180 A CA 0.075 52.113 52.037 0.003 0.000 0.781 180 A CB -0.240 18.762 19.000 0.003 0.000 1.020 180 A HN 0.476 nan 8.150 nan 0.000 0.494 181 D N 1.039 121.441 120.400 0.003 0.000 2.280 181 D HA 0.435 5.075 4.640 -0.000 0.000 0.243 181 D C -0.837 175.465 176.300 0.004 0.000 1.129 181 D CA 0.147 54.150 54.000 0.004 0.000 0.848 181 D CB 0.996 41.799 40.800 0.005 0.000 1.107 181 D HN 0.126 nan 8.370 nan 0.000 0.471 182 V N 4.001 123.917 119.914 0.003 0.000 2.417 182 V HA 0.306 4.426 4.120 -0.000 0.000 0.291 182 V C -0.223 175.874 176.094 0.005 0.000 1.024 182 V CA -0.869 61.433 62.300 0.003 0.000 0.861 182 V CB 1.777 33.600 31.823 -0.001 0.000 0.985 182 V HN 0.549 nan 8.190 nan 0.000 0.436 183 D N 3.155 123.559 120.400 0.007 0.000 2.308 183 D HA 0.450 5.090 4.640 -0.000 0.000 0.242 183 D C 0.390 176.696 176.300 0.010 0.000 1.059 183 D CA -0.530 53.477 54.000 0.012 0.000 0.830 183 D CB 1.850 42.659 40.800 0.015 0.000 1.161 183 D HN 0.257 nan 8.370 nan 0.000 0.494 184 L N 3.130 124.362 121.223 0.015 0.000 2.492 184 L HA 0.342 4.682 4.340 -0.000 0.000 0.223 184 L C 1.614 178.499 176.870 0.025 0.000 1.132 184 L CA 1.315 56.164 54.840 0.015 0.000 0.850 184 L CB -1.068 41.002 42.059 0.019 0.000 0.966 184 L HN 0.865 nan 8.230 nan 0.000 0.454 185 G N -0.553 108.268 108.800 0.035 0.000 2.527 185 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.268 185 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.268 185 G C 1.100 176.045 174.900 0.074 0.000 1.175 185 G CA 0.445 45.575 45.100 0.049 0.000 0.962 185 G HN 0.443 nan 8.290 nan 0.000 0.560 186 A N -0.539 122.334 122.820 0.088 0.000 1.958 186 A HA 0.192 4.512 4.320 -0.000 0.000 0.221 186 A C 2.835 180.503 177.584 0.140 0.000 1.178 186 A CA 3.708 55.810 52.037 0.109 0.000 0.642 186 A CB -0.910 18.155 19.000 0.109 0.000 0.816 186 A HN 2.392 nan 8.150 nan 0.000 0.453 187 A N -0.812 122.078 122.820 0.117 0.000 2.238 187 A HA 0.253 4.573 4.320 -0.000 0.000 0.208 187 A C 0.756 178.406 177.584 0.111 0.000 1.177 187 A CA 0.423 52.546 52.037 0.144 0.000 0.804 187 A CB -0.329 18.760 19.000 0.148 0.000 0.823 187 A HN 0.493 nan 8.150 nan 0.000 0.482 188 E N -0.060 120.205 120.200 0.107 0.000 2.498 188 E HA 0.331 4.681 4.350 -0.000 0.000 0.252 188 E C 1.238 177.917 176.600 0.131 0.000 1.025 188 E CA 1.226 57.679 56.400 0.090 0.000 0.938 188 E CB -0.289 29.461 29.700 0.083 0.000 0.947 188 E HN 0.709 nan 8.360 nan 0.000 0.478 189 G N 3.205 112.040 108.800 0.059 0.000 2.157 189 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.248 189 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.248 189 G C 0.250 175.062 174.900 -0.147 0.000 0.979 189 G CA 0.510 45.639 45.100 0.048 0.000 0.650 189 G HN 0.630 nan 8.290 nan 0.000 0.529 190 Y N 0.144 120.217 120.300 -0.378 0.000 2.817 190 Y HA 0.707 5.257 4.550 -0.000 0.000 0.257 190 Y C 1.607 177.386 175.900 -0.202 0.000 1.055 190 Y CA 1.374 59.199 58.100 -0.459 0.000 1.319 190 Y CB -0.029 38.063 38.460 -0.613 0.000 1.481 190 Y HN 0.685 nan 8.280 nan 0.000 0.471 191 A N 1.698 124.367 122.820 -0.251 0.000 2.322 191 A HA 0.348 4.668 4.320 -0.000 0.000 0.269 191 A C -0.286 177.202 177.584 -0.160 0.000 1.094 191 A CA -0.500 51.384 52.037 -0.255 0.000 0.807 191 A CB 0.152 19.095 19.000 -0.095 0.000 1.047 191 A HN 0.493 nan 8.150 nan 0.000 0.487 192 E N -0.282 119.829 120.200 -0.147 0.000 2.313 192 E HA 0.348 4.698 4.350 -0.000 0.000 0.272 192 E C -1.242 175.319 176.600 -0.065 0.000 1.038 192 E CA -0.535 55.808 56.400 -0.096 0.000 0.863 192 E CB 1.426 31.071 29.700 -0.092 0.000 1.060 192 E HN 0.451 nan 8.360 nan 0.000 0.402 193 L N 2.619 123.814 121.223 -0.046 0.000 2.307 193 L HA 0.330 4.670 4.340 -0.000 0.000 0.284 193 L C -1.036 175.817 176.870 -0.029 0.000 1.023 193 L CA -0.190 54.630 54.840 -0.032 0.000 0.810 193 L CB 1.457 43.503 42.059 -0.021 0.000 1.231 193 L HN 0.304 nan 8.230 nan 0.000 0.423 194 D N 3.089 123.473 120.400 -0.026 0.000 2.408 194 D HA 0.231 4.871 4.640 -0.000 0.000 0.261 194 D C -1.106 175.184 176.300 -0.015 0.000 1.190 194 D CA -0.210 53.777 54.000 -0.021 0.000 0.910 194 D CB 0.417 41.203 40.800 -0.023 0.000 1.097 194 D HN 0.477 nan 8.370 nan 0.000 0.522 195 N N 2.341 121.034 118.700 -0.012 0.000 2.439 195 N HA 0.202 4.942 4.740 -0.000 0.000 0.249 195 N C 0.182 175.689 175.510 -0.005 0.000 1.003 195 N CA -0.224 52.821 53.050 -0.008 0.000 0.942 195 N CB 0.638 39.121 38.487 -0.006 0.000 1.115 195 N HN 0.203 nan 8.380 nan 0.000 0.505 196 R N 1.652 122.150 120.500 -0.004 0.000 2.472 196 R HA 0.307 4.647 4.340 -0.000 0.000 0.279 196 R C -0.132 176.168 176.300 0.000 0.000 0.953 196 R CA -0.324 55.775 56.100 -0.002 0.000 1.088 196 R CB 0.139 30.438 30.300 -0.002 0.000 1.197 196 R HN 0.463 nan 8.270 nan 0.000 0.536 197 A N 1.590 124.410 122.820 0.001 0.000 2.354 197 A HA 0.496 4.816 4.320 -0.000 0.000 0.269 197 A C 0.503 178.088 177.584 0.002 0.000 1.109 197 A CA -0.419 51.620 52.037 0.003 0.000 0.800 197 A CB 0.674 19.676 19.000 0.003 0.000 1.045 197 A HN 0.055 nan 8.150 nan 0.000 0.489 198 V N -0.295 119.621 119.914 0.003 0.000 2.960 198 V HA 0.783 4.903 4.120 -0.000 0.000 0.315 198 V C 0.009 176.105 176.094 0.003 0.000 1.087 198 V CA -0.674 61.628 62.300 0.003 0.000 0.982 198 V CB 1.447 33.272 31.823 0.002 0.000 1.039 198 V HN 0.763 nan 8.190 nan 0.000 0.437 199 T N 2.640 117.196 114.554 0.003 0.000 2.780 199 T HA 0.612 4.962 4.350 -0.000 0.000 0.294 199 T C 0.551 175.253 174.700 0.003 0.000 0.949 199 T CA 0.466 62.568 62.100 0.003 0.000 1.074 199 T CB 0.955 69.825 68.868 0.003 0.000 0.910 199 T HN 1.269 nan 8.240 nan 0.000 0.501 200 G N 1.266 110.069 108.800 0.003 0.000 2.535 200 G HA2 0.622 4.582 3.960 -0.000 0.000 0.303 200 G HA3 0.622 4.582 3.960 -0.000 0.000 0.303 200 G C -0.029 174.873 174.900 0.003 0.000 1.237 200 G CA -0.871 44.231 45.100 0.003 0.000 0.986 200 G HN 0.974 nan 8.290 nan 0.000 0.494 201 A N -0.702 122.119 122.820 0.003 0.000 2.406 201 A HA 0.584 4.903 4.320 -0.000 0.000 0.243 201 A C 1.059 178.644 177.584 0.003 0.000 1.082 201 A CA 0.396 52.434 52.037 0.002 0.000 0.786 201 A CB -0.194 18.807 19.000 0.002 0.000 1.029 201 A HN 1.931 nan 8.150 nan 0.000 0.495 202 A N 0.328 123.149 122.820 0.002 0.000 2.546 202 A HA 0.469 4.789 4.320 -0.000 0.000 0.243 202 A C 1.686 179.272 177.584 0.002 0.000 1.063 202 A CA 0.959 52.997 52.037 0.003 0.000 0.757 202 A CB -0.897 18.105 19.000 0.002 0.000 0.991 202 A HN 2.759 nan 8.150 nan 0.000 0.503 203 G N 1.600 110.401 108.800 0.003 0.000 2.336 203 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.233 203 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.233 203 G C 0.906 175.808 174.900 0.003 0.000 1.053 203 G CA 0.787 45.888 45.100 0.002 0.000 0.625 203 G HN 2.321 nan 8.290 nan 0.000 0.511 204 S N 0.997 116.699 115.700 0.003 0.000 2.549 204 S HA 0.473 4.942 4.470 -0.000 0.000 0.278 204 S C 0.823 175.425 174.600 0.003 0.000 1.344 204 S CA 0.718 58.919 58.200 0.003 0.000 1.025 204 S CB 1.135 64.337 63.200 0.003 0.000 0.851 204 S HN 2.079 nan 8.310 nan 0.000 0.530 205 A N 2.269 125.091 122.820 0.003 0.000 2.488 205 A HA 0.248 4.568 4.320 -0.000 0.000 0.249 205 A C 0.691 178.277 177.584 0.005 0.000 1.083 205 A CA -0.458 51.582 52.037 0.004 0.000 0.768 205 A CB -0.361 18.642 19.000 0.004 0.000 1.017 205 A HN 0.860 nan 8.150 nan 0.000 0.496 206 N N 2.060 120.763 118.700 0.005 0.000 2.416 206 N HA 0.072 4.812 4.740 -0.000 0.000 0.265 206 N C 0.692 176.206 175.510 0.008 0.000 1.195 206 N CA 0.853 53.907 53.050 0.006 0.000 0.943 206 N CB 0.616 39.107 38.487 0.006 0.000 1.115 206 N HN 0.659 nan 8.380 nan 0.000 0.481 207 T N 1.262 115.821 114.554 0.009 0.000 3.252 207 T HA 0.178 4.528 4.350 -0.000 0.000 0.286 207 T C 0.538 175.246 174.700 0.014 0.000 1.013 207 T CA -0.558 61.548 62.100 0.011 0.000 0.914 207 T CB -0.285 68.589 68.868 0.009 0.000 1.131 207 T HN 0.237 nan 8.240 nan 0.000 0.529 208 L N 2.552 123.784 121.223 0.014 0.000 2.453 208 L HA 0.490 4.830 4.340 -0.000 0.000 0.272 208 L C -0.602 176.282 176.870 0.024 0.000 1.182 208 L CA 0.261 55.111 54.840 0.017 0.000 0.858 208 L CB 0.773 42.841 42.059 0.015 0.000 1.120 208 L HN 0.180 nan 8.230 nan 0.000 0.474 209 V N 6.587 126.518 119.914 0.027 0.000 2.577 209 V HA 0.472 4.592 4.120 -0.000 0.000 0.303 209 V C -0.283 175.832 176.094 0.036 0.000 1.042 209 V CA -0.522 61.803 62.300 0.041 0.000 0.872 209 V CB 1.827 33.675 31.823 0.043 0.000 0.998 209 V HN 0.552 nan 8.190 nan 0.000 0.423 210 I N 3.861 124.461 120.570 0.049 0.000 2.389 210 I HA 0.639 4.809 4.170 -0.000 0.000 0.288 210 I C -0.919 175.204 176.117 0.011 0.000 0.999 210 I CA -0.214 61.100 61.300 0.024 0.000 1.129 210 I CB 1.886 39.897 38.000 0.019 0.000 1.288 210 I HN 0.556 nan 8.210 nan 0.000 0.444 211 D N 4.572 124.953 120.400 -0.031 0.000 2.581 211 D HA 0.422 5.062 4.640 -0.000 0.000 0.232 211 D C -1.078 175.159 176.300 -0.105 0.000 1.143 211 D CA -0.772 53.181 54.000 -0.077 0.000 0.881 211 D CB 2.453 43.238 40.800 -0.025 0.000 1.500 211 D HN 0.445 nan 8.370 nan 0.000 0.458 212 R N 2.555 122.964 120.500 -0.152 0.000 2.358 212 R HA 0.474 4.814 4.340 -0.000 0.000 0.309 212 R C -2.508 173.737 176.300 -0.091 0.000 1.026 212 R CA -1.737 54.293 56.100 -0.116 0.000 0.909 212 R CB 1.223 31.443 30.300 -0.133 0.000 1.153 212 R HN 0.223 nan 8.270 nan 0.000 0.515 213 P HA -0.096 nan 4.420 nan 0.000 0.265 213 P C -0.347 176.935 177.300 -0.031 0.000 1.187 213 P CA -0.187 62.891 63.100 -0.035 0.000 0.766 213 P CB 0.477 32.161 31.700 -0.027 0.000 0.820 214 V N 0.560 120.465 119.914 -0.015 0.000 2.644 214 V HA 0.229 4.349 4.120 -0.000 0.000 0.305 214 V C 1.534 177.625 176.094 -0.005 0.000 1.053 214 V CA 0.353 62.651 62.300 -0.004 0.000 1.186 214 V CB -1.194 30.636 31.823 0.012 0.000 0.895 214 V HN 1.014 nan 8.190 nan 0.000 0.490 215 G N 2.514 111.313 108.800 -0.001 0.000 2.160 215 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.251 215 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.251 215 G C 0.208 175.099 174.900 -0.015 0.000 1.008 215 G CA 0.596 45.695 45.100 -0.001 0.000 0.724 215 G HN 1.923 nan 8.290 nan 0.000 0.514 216 T N -3.329 111.209 114.554 -0.027 0.000 2.930 216 T HA 0.646 4.996 4.350 -0.000 0.000 0.290 216 T C -0.005 174.660 174.700 -0.058 0.000 1.052 216 T CA -0.447 61.627 62.100 -0.043 0.000 1.017 216 T CB 2.126 70.966 68.868 -0.045 0.000 1.137 216 T HN 0.087 nan 8.240 nan 0.000 0.511 217 N N 0.523 119.170 118.700 -0.089 0.000 2.538 217 N HA 0.302 5.042 4.740 -0.000 0.000 0.291 217 N C -1.052 174.381 175.510 -0.128 0.000 1.323 217 N CA -0.296 52.679 53.050 -0.125 0.000 0.934 217 N CB 0.147 38.502 38.487 -0.220 0.000 1.255 217 N HN 0.688 nan 8.380 nan 0.000 0.509 218 T N 1.105 115.605 114.554 -0.090 0.000 2.792 218 T HA 0.392 4.742 4.350 -0.000 0.000 0.280 218 T C 0.020 174.680 174.700 -0.066 0.000 0.990 218 T CA -0.530 61.523 62.100 -0.077 0.000 0.960 218 T CB 1.176 70.006 68.868 -0.063 0.000 0.939 218 T HN -0.024 nan 8.240 nan 0.000 0.439 219 I N 3.244 123.778 120.570 -0.059 0.000 2.337 219 I HA 0.421 4.591 4.170 -0.000 0.000 0.291 219 I C 0.582 176.675 176.117 -0.040 0.000 1.046 219 I CA -0.825 60.444 61.300 -0.052 0.000 1.324 219 I CB 0.094 38.069 38.000 -0.043 0.000 1.409 219 I HN 0.679 nan 8.210 nan 0.000 0.494 220 A N 7.597 130.394 122.820 -0.038 0.000 2.256 220 A HA 0.641 4.961 4.320 -0.000 0.000 0.317 220 A C -0.342 177.232 177.584 -0.016 0.000 1.318 220 A CA -0.484 51.538 52.037 -0.026 0.000 0.894 220 A CB 0.649 19.634 19.000 -0.024 0.000 1.165 220 A HN 0.434 nan 8.150 nan 0.000 0.525 221 V N 3.347 123.255 119.914 -0.011 0.000 2.370 221 V HA 0.661 4.781 4.120 -0.000 0.000 0.283 221 V C 0.569 176.664 176.094 0.001 0.000 1.023 221 V CA 0.010 62.308 62.300 -0.003 0.000 0.857 221 V CB 1.059 32.880 31.823 -0.003 0.000 0.985 221 V HN 1.056 nan 8.190 nan 0.000 0.443 222 T N 1.119 115.677 114.554 0.006 0.000 2.907 222 T HA 0.947 5.297 4.350 -0.000 0.000 0.290 222 T C 0.168 174.874 174.700 0.010 0.000 1.066 222 T CA -0.011 62.094 62.100 0.007 0.000 1.012 222 T CB 1.893 70.767 68.868 0.009 0.000 1.184 222 T HN 1.906 nan 8.240 nan 0.000 0.522 223 G N 0.337 109.142 108.800 0.009 0.000 2.587 223 G HA2 0.240 4.200 3.960 -0.000 0.000 0.212 223 G HA3 0.240 4.200 3.960 -0.000 0.000 0.212 223 G C -0.373 174.531 174.900 0.008 0.000 1.327 223 G CA -0.168 44.938 45.100 0.010 0.000 0.898 223 G HN 1.565 nan 8.290 nan 0.000 0.551 224 S N -1.341 114.364 115.700 0.008 0.000 2.536 224 S HA 0.724 5.194 4.470 -0.000 0.000 0.287 224 S C -1.252 173.352 174.600 0.007 0.000 1.101 224 S CA -0.362 57.842 58.200 0.006 0.000 0.950 224 S CB 1.488 64.691 63.200 0.006 0.000 1.056 224 S HN 1.576 nan 8.310 nan 0.000 0.481 225 L N 5.881 127.107 121.223 0.006 0.000 2.381 225 L HA 0.696 5.036 4.340 -0.000 0.000 0.274 225 L C -2.426 174.447 176.870 0.005 0.000 0.988 225 L CA -1.851 52.992 54.840 0.006 0.000 0.824 225 L CB 2.131 44.193 42.059 0.006 0.000 1.263 225 L HN 0.429 nan 8.230 nan 0.000 0.410 226 P HA 0.074 nan 4.420 nan 0.000 0.271 226 P C 0.040 177.342 177.300 0.004 0.000 1.218 226 P CA -0.109 62.994 63.100 0.004 0.000 0.780 226 P CB 0.954 32.656 31.700 0.004 0.000 0.901 227 A N 3.263 126.085 122.820 0.003 0.000 2.032 227 A HA -0.207 4.113 4.320 -0.000 0.000 0.221 227 A C 1.255 178.841 177.584 0.003 0.000 1.165 227 A CA 2.128 54.167 52.037 0.003 0.000 0.645 227 A CB -1.144 17.858 19.000 0.003 0.000 0.807 227 A HN 0.633 nan 8.150 nan 0.000 0.453 228 D N -0.595 119.807 120.400 0.003 0.000 2.340 228 D HA 0.431 5.071 4.640 -0.000 0.000 0.217 228 D C 0.570 176.872 176.300 0.004 0.000 1.081 228 D CA 0.339 54.341 54.000 0.003 0.000 0.842 228 D CB -0.626 40.176 40.800 0.003 0.000 0.934 228 D HN 0.387 nan 8.370 nan 0.000 0.511 229 A N 0.512 123.335 122.820 0.004 0.000 2.445 229 A HA 0.535 4.855 4.320 -0.000 0.000 0.242 229 A C 0.683 178.270 177.584 0.005 0.000 1.075 229 A CA -0.087 51.953 52.037 0.004 0.000 0.777 229 A CB 0.168 19.171 19.000 0.005 0.000 1.013 229 A HN 0.376 nan 8.150 nan 0.000 0.493 230 A N 3.241 126.064 122.820 0.005 0.000 2.388 230 A HA 0.572 4.892 4.320 -0.000 0.000 0.257 230 A C -2.142 175.446 177.584 0.006 0.000 1.095 230 A CA -1.278 50.763 52.037 0.006 0.000 0.791 230 A CB -0.680 18.324 19.000 0.006 0.000 1.029 230 A HN 0.676 nan 8.150 nan 0.000 0.489 231 P HA 0.100 nan 4.420 nan 0.000 0.261 231 P C -0.724 176.581 177.300 0.007 0.000 1.173 231 P CA 0.227 63.332 63.100 0.007 0.000 0.760 231 P CB 0.324 32.029 31.700 0.008 0.000 0.783 232 V N 4.013 123.931 119.914 0.007 0.000 2.348 232 V HA 0.270 4.390 4.120 -0.000 0.000 0.270 232 V C 0.736 176.834 176.094 0.006 0.000 1.037 232 V CA -0.206 62.099 62.300 0.007 0.000 0.872 232 V CB 0.830 32.658 31.823 0.009 0.000 1.002 232 V HN 0.672 nan 8.190 nan 0.000 0.464 233 T N 2.542 117.099 114.554 0.004 0.000 2.902 233 T HA 0.887 5.237 4.350 -0.000 0.000 0.283 233 T C -0.369 174.328 174.700 -0.005 0.000 1.009 233 T CA -0.402 61.697 62.100 -0.002 0.000 1.051 233 T CB 2.006 70.873 68.868 -0.002 0.000 0.999 233 T HN 1.078 nan 8.240 nan 0.000 0.474 234 A N 2.762 125.572 122.820 -0.016 0.000 2.517 234 A HA 0.646 4.966 4.320 -0.000 0.000 0.297 234 A C -0.955 176.603 177.584 -0.043 0.000 1.050 234 A CA -0.981 51.051 52.037 -0.009 0.000 0.694 234 A CB 1.210 20.222 19.000 0.021 0.000 1.277 234 A HN 0.921 nan 8.150 nan 0.000 0.400 235 L N 2.953 124.150 121.223 -0.043 0.000 2.265 235 L HA 0.567 4.907 4.340 -0.000 0.000 0.288 235 L C 0.117 176.959 176.870 -0.048 0.000 1.058 235 L CA -0.513 54.277 54.840 -0.082 0.000 0.809 235 L CB 0.745 42.750 42.059 -0.091 0.000 1.179 235 L HN 0.603 nan 8.230 nan 0.000 0.429 236 R N 1.308 121.763 120.500 -0.075 0.000 2.686 236 R HA 0.426 4.766 4.340 -0.000 0.000 0.286 236 R C -0.282 175.966 176.300 -0.086 0.000 0.969 236 R CA -0.694 55.346 56.100 -0.101 0.000 0.898 236 R CB 2.196 32.433 30.300 -0.106 0.000 1.183 236 R HN 0.686 nan 8.270 nan 0.000 0.456 237 T N -1.484 113.003 114.554 -0.111 0.000 2.860 237 T HA 0.385 4.735 4.350 -0.000 0.000 0.299 237 T C 0.762 175.448 174.700 -0.023 0.000 1.045 237 T CA -0.622 61.443 62.100 -0.058 0.000 1.071 237 T CB 0.805 69.629 68.868 -0.073 0.000 0.985 237 T HN 0.373 nan 8.240 nan 0.000 0.537 238 V N -1.396 118.539 119.914 0.036 0.000 2.960 238 V HA 0.635 4.755 4.120 -0.000 0.000 0.315 238 V C -0.448 175.707 176.094 0.102 0.000 1.087 238 V CA -1.353 60.998 62.300 0.085 0.000 0.982 238 V CB 1.629 33.577 31.823 0.208 0.000 1.039 238 V HN 0.939 nan 8.190 nan 0.000 0.437 239 D N 1.934 122.390 120.400 0.095 0.000 2.389 239 D HA 0.221 4.861 4.640 -0.000 0.000 0.247 239 D C 0.023 176.439 176.300 0.193 0.000 1.128 239 D CA 0.842 54.902 54.000 0.100 0.000 0.884 239 D CB 0.298 41.119 40.800 0.035 0.000 1.194 239 D HN 0.793 nan 8.370 nan 0.000 0.441 240 E N 2.468 122.762 120.200 0.156 0.000 2.613 240 E HA -0.152 4.198 4.350 -0.000 0.000 0.161 240 E C -1.894 174.785 176.600 0.131 0.000 1.664 240 E CA 0.057 56.551 56.400 0.156 0.000 0.661 240 E CB -0.835 28.971 29.700 0.176 0.000 1.098 240 E HN 0.510 nan 8.360 nan 0.000 0.364 241 P HA -0.230 nan 4.420 nan 0.000 0.217 241 P C 1.325 178.619 177.300 -0.010 0.000 1.151 241 P CA 2.319 65.445 63.100 0.042 0.000 0.849 241 P CB 0.208 31.946 31.700 0.064 0.000 0.787 242 A N -0.387 122.440 122.820 0.012 0.000 1.929 242 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 242 A C 2.295 179.863 177.584 -0.027 0.000 1.176 242 A CA 1.686 53.720 52.037 -0.004 0.000 0.628 242 A CB -1.445 17.568 19.000 0.022 0.000 0.816 242 A HN 0.189 nan 8.150 nan 0.000 0.444 243 A N -0.390 122.422 122.820 -0.014 0.000 1.933 243 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 243 A C 2.095 179.467 177.584 -0.352 0.000 1.175 243 A CA 1.661 53.676 52.037 -0.035 0.000 0.628 243 A CB -0.546 18.557 19.000 0.171 0.000 0.814 243 A HN 0.666 nan 8.150 nan 0.000 0.444 244 L N -0.324 120.526 121.223 -0.623 0.000 2.093 244 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 244 L C 2.614 179.337 176.870 -0.245 0.000 1.085 244 L CA 2.050 56.423 54.840 -0.778 0.000 0.755 244 L CB -0.722 40.995 42.059 -0.570 0.000 0.904 244 L HN 0.325 nan 8.230 nan 0.000 0.435 245 A N -0.412 122.331 122.820 -0.129 0.000 1.877 245 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 245 A C 2.357 179.953 177.584 0.019 0.000 1.186 245 A CA 1.557 53.573 52.037 -0.036 0.000 0.620 245 A CB -1.632 17.345 19.000 -0.038 0.000 0.822 245 A HN 0.517 nan 8.150 nan 0.000 0.443 246 G N -1.313 107.493 108.800 0.011 0.000 2.440 246 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 246 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 246 G C 1.484 176.428 174.900 0.074 0.000 1.154 246 G CA 1.521 46.662 45.100 0.068 0.000 0.767 246 G HN 0.747 nan 8.290 nan 0.000 0.552 247 H N 0.538 119.560 119.070 -0.079 0.000 2.319 247 H HA 0.050 4.606 4.556 -0.000 0.000 0.299 247 H C 2.505 177.818 175.328 -0.026 0.000 1.092 247 H CA 1.622 57.630 56.048 -0.066 0.000 1.302 247 H CB -0.256 29.416 29.762 -0.150 0.000 1.373 247 H HN 0.286 nan 8.280 nan 0.000 0.497 248 L N -1.188 120.021 121.223 -0.023 0.000 2.156 248 L HA -0.094 4.245 4.340 -0.000 0.000 0.208 248 L C 1.983 178.861 176.870 0.013 0.000 1.095 248 L CA 0.709 55.528 54.840 -0.035 0.000 0.770 248 L CB -0.339 41.741 42.059 0.036 0.000 0.914 248 L HN 0.264 nan 8.230 nan 0.000 0.439 249 F N 0.633 120.528 119.950 -0.091 0.000 2.367 249 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 249 F C 2.498 178.247 175.800 -0.084 0.000 1.094 249 F CA 1.068 59.025 58.000 -0.072 0.000 1.409 249 F CB -0.070 38.901 39.000 -0.048 0.000 1.064 249 F HN 0.055 nan 8.300 nan 0.000 0.528 250 E N 0.626 120.730 120.200 -0.160 0.000 2.072 250 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 250 E C 1.851 178.294 176.600 -0.262 0.000 0.985 250 E CA 1.523 57.783 56.400 -0.234 0.000 0.801 250 E CB -0.114 29.495 29.700 -0.152 0.000 0.750 250 E HN 0.579 nan 8.360 nan 0.000 0.452 251 E N -0.004 120.044 120.200 -0.254 0.000 2.208 251 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 251 E C 1.931 178.422 176.600 -0.181 0.000 0.988 251 E CA 0.686 56.959 56.400 -0.212 0.000 0.828 251 E CB -0.004 29.563 29.700 -0.222 0.000 0.763 251 E HN 0.252 nan 8.360 nan 0.000 0.478 252 A N 1.135 123.834 122.820 -0.201 0.000 1.929 252 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 252 A C 2.144 179.566 177.584 -0.270 0.000 1.176 252 A CA 0.723 52.649 52.037 -0.184 0.000 0.628 252 A CB -0.421 18.514 19.000 -0.108 0.000 0.816 252 A HN 0.102 nan 8.150 nan 0.000 0.444 253 L N -0.790 120.165 121.223 -0.447 0.000 2.005 253 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 253 L C 1.627 178.361 176.870 -0.227 0.000 1.072 253 L CA 1.272 55.870 54.840 -0.403 0.000 0.744 253 L CB -0.379 41.370 42.059 -0.517 0.000 0.895 253 L HN 0.364 nan 8.230 nan 0.000 0.433 254 E N -0.560 119.520 120.200 -0.201 0.000 2.467 254 E HA -0.040 4.310 4.350 -0.000 0.000 0.321 254 E C 0.555 177.089 176.600 -0.111 0.000 1.388 254 E CA 0.234 56.553 56.400 -0.134 0.000 1.508 254 E CB -0.018 29.608 29.700 -0.123 0.000 1.250 254 E HN 0.237 nan 8.360 nan 0.000 0.500 255 S N 1.606 117.244 115.700 -0.103 0.000 1.773 255 S HA 0.054 4.523 4.470 -0.000 0.000 0.203 255 S C 0.526 175.085 174.600 -0.068 0.000 0.762 255 S CA -0.253 57.899 58.200 -0.079 0.000 1.503 255 S CB -0.408 62.741 63.200 -0.084 0.000 0.926 255 S HN 0.420 nan 8.310 nan 0.000 0.380 256 N N 1.549 120.199 118.700 -0.084 0.000 2.276 256 N HA 0.264 5.004 4.740 -0.000 0.000 0.212 256 N C 0.927 176.401 175.510 -0.059 0.000 1.127 256 N CA 0.869 53.880 53.050 -0.065 0.000 0.834 256 N CB 0.918 39.364 38.487 -0.068 0.000 1.014 256 N HN 0.733 nan 8.380 nan 0.000 0.491 257 G N 0.278 109.040 108.800 -0.063 0.000 2.132 257 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.234 257 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.234 257 G C -0.134 174.732 174.900 -0.058 0.000 0.989 257 G CA -0.053 45.016 45.100 -0.052 0.000 0.676 257 G HN 0.161 nan 8.290 nan 0.000 0.522 258 V N 1.347 121.212 119.914 -0.082 0.000 2.370 258 V HA 0.602 4.722 4.120 -0.000 0.000 0.283 258 V C 0.528 176.566 176.094 -0.093 0.000 1.023 258 V CA -0.252 61.996 62.300 -0.086 0.000 0.857 258 V CB 1.570 33.326 31.823 -0.112 0.000 0.985 258 V HN 0.274 nan 8.190 nan 0.000 0.443 259 T N 4.690 119.204 114.554 -0.068 0.000 2.744 259 T HA 0.431 4.781 4.350 -0.000 0.000 0.291 259 T C -0.032 174.631 174.700 -0.061 0.000 0.957 259 T CA -0.283 61.780 62.100 -0.062 0.000 1.002 259 T CB 1.295 70.137 68.868 -0.043 0.000 0.919 259 T HN 0.384 nan 8.240 nan 0.000 0.468 260 V N 5.165 125.036 119.914 -0.071 0.000 2.364 260 V HA 0.266 4.386 4.120 -0.000 0.000 0.272 260 V C 1.410 177.474 176.094 -0.050 0.000 1.036 260 V CA -0.538 61.722 62.300 -0.066 0.000 0.880 260 V CB 1.256 33.027 31.823 -0.086 0.000 0.991 260 V HN 0.774 nan 8.190 nan 0.000 0.460 261 K N 3.366 123.743 120.400 -0.038 0.000 2.128 261 K HA 0.120 4.440 4.320 -0.000 0.000 0.202 261 K C 1.228 177.809 176.600 -0.032 0.000 1.050 261 K CA 1.051 57.321 56.287 -0.028 0.000 0.966 261 K CB 0.269 32.759 32.500 -0.016 0.000 0.759 261 K HN 0.795 nan 8.250 nan 0.000 0.454 262 G N 0.664 109.438 108.800 -0.043 0.000 2.666 262 G HA2 0.082 4.042 3.960 -0.000 0.000 0.207 262 G HA3 0.082 4.042 3.960 -0.000 0.000 0.207 262 G C -0.426 174.428 174.900 -0.076 0.000 1.481 262 G CA -0.321 44.747 45.100 -0.054 0.000 1.071 262 G HN 0.125 nan 8.290 nan 0.000 0.572 263 D N -1.295 119.038 120.400 -0.112 0.000 2.387 263 D HA 0.507 5.147 4.640 -0.000 0.000 0.255 263 D C -0.304 175.889 176.300 -0.178 0.000 1.081 263 D CA -0.177 53.755 54.000 -0.114 0.000 0.994 263 D CB 1.867 42.611 40.800 -0.094 0.000 1.127 263 D HN 0.041 nan 8.370 nan 0.000 0.513 264 V N 0.315 120.162 119.914 -0.112 0.000 2.384 264 V HA 0.809 4.929 4.120 -0.000 0.000 0.287 264 V C 0.690 176.740 176.094 -0.073 0.000 1.020 264 V CA -0.383 61.851 62.300 -0.110 0.000 0.850 264 V CB 1.213 33.032 31.823 -0.006 0.000 0.987 264 V HN 0.686 nan 8.190 nan 0.000 0.436 265 G N 3.472 112.202 108.800 -0.116 0.000 2.682 265 G HA2 0.668 4.628 3.960 -0.000 0.000 0.303 265 G HA3 0.668 4.628 3.960 -0.000 0.000 0.303 265 G C -1.658 173.314 174.900 0.120 0.000 1.341 265 G CA -0.931 44.181 45.100 0.020 0.000 0.784 265 G HN 0.550 nan 8.290 nan 0.000 0.497 266 L N 0.462 121.789 121.223 0.174 0.000 2.292 266 L HA 0.736 5.076 4.340 -0.000 0.000 0.284 266 L C 0.638 177.647 176.870 0.232 0.000 1.065 266 L CA -0.302 54.647 54.840 0.181 0.000 0.806 266 L CB 1.471 43.601 42.059 0.118 0.000 1.175 266 L HN 0.852 nan 8.230 nan 0.000 0.431 267 G N 1.104 110.011 108.800 0.179 0.000 2.702 267 G HA2 0.512 4.472 3.960 -0.000 0.000 0.296 267 G HA3 0.512 4.472 3.960 -0.000 0.000 0.296 267 G C -1.108 173.847 174.900 0.092 0.000 1.463 267 G CA -0.502 44.597 45.100 -0.002 0.000 0.890 267 G HN 0.723 nan 8.290 nan 0.000 0.534 268 G N -0.252 108.545 108.800 -0.006 0.000 2.356 268 G HA2 0.538 4.498 3.960 -0.000 0.000 0.298 268 G HA3 0.538 4.498 3.960 -0.000 0.000 0.298 268 G C 0.336 175.036 174.900 -0.333 0.000 1.145 268 G CA -0.368 44.690 45.100 -0.071 0.000 0.850 268 G HN 1.018 nan 8.290 nan 0.000 0.487 269 V N 4.075 123.621 119.914 -0.612 0.000 2.625 269 V HA -0.037 4.083 4.120 -0.000 0.000 0.305 269 V C -1.424 174.107 176.094 -0.939 0.000 1.055 269 V CA -0.454 61.103 62.300 -1.239 0.000 1.209 269 V CB 0.329 31.687 31.823 -0.775 0.000 0.877 269 V HN 0.607 nan 8.190 nan 0.000 0.489 270 P HA 0.108 nan 4.420 nan 0.000 0.266 270 P C 0.522 177.492 177.300 -0.549 0.000 1.195 270 P CA 0.208 62.804 63.100 -0.840 0.000 0.768 270 P CB 0.704 31.772 31.700 -1.053 0.000 0.838 271 A N 3.144 125.794 122.820 -0.284 0.000 2.015 271 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 271 A C 1.474 179.028 177.584 -0.050 0.000 1.163 271 A CA 1.773 53.727 52.037 -0.139 0.000 0.646 271 A CB -1.119 17.826 19.000 -0.091 0.000 0.806 271 A HN 0.664 nan 8.150 nan 0.000 0.448 272 D N -2.428 117.957 120.400 -0.025 0.000 2.363 272 D HA -0.096 4.544 4.640 -0.000 0.000 0.220 272 D C 0.034 176.480 176.300 0.244 0.000 0.994 272 D CA 0.018 54.074 54.000 0.094 0.000 0.890 272 D CB -0.371 40.489 40.800 0.100 0.000 0.906 272 D HN 0.450 nan 8.370 nan 0.000 0.530 273 W N 2.260 123.528 121.300 -0.053 0.000 2.429 273 W HA 0.310 4.970 4.660 -0.000 0.000 0.431 273 W C 1.364 177.859 176.519 -0.041 0.000 1.038 273 W CA -0.934 56.381 57.345 -0.050 0.000 1.635 273 W CB -0.258 29.154 29.460 -0.079 0.000 1.721 273 W HN 0.069 nan 8.180 nan 0.000 0.366 274 Q N 1.370 121.260 119.800 0.150 0.000 1.990 274 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 274 Q C -0.004 176.030 176.000 0.056 0.000 0.980 274 Q CA 1.529 57.380 55.803 0.079 0.000 0.832 274 Q CB 0.089 28.855 28.738 0.047 0.000 0.897 274 Q HN 0.180 nan 8.270 nan 0.000 0.427 275 D N -0.269 120.144 120.400 0.022 0.000 2.256 275 D HA 0.565 5.205 4.640 -0.000 0.000 0.250 275 D C -1.304 174.977 176.300 -0.032 0.000 1.093 275 D CA 0.255 54.249 54.000 -0.011 0.000 0.882 275 D CB 1.580 42.354 40.800 -0.042 0.000 1.185 275 D HN 0.316 nan 8.370 nan 0.000 0.437 276 A N 1.948 124.760 122.820 -0.012 0.000 2.488 276 A HA 0.500 4.820 4.320 -0.000 0.000 0.295 276 A C -0.950 176.632 177.584 -0.003 0.000 1.045 276 A CA -0.806 51.231 52.037 0.001 0.000 0.703 276 A CB 1.265 20.349 19.000 0.139 0.000 1.271 276 A HN 0.303 nan 8.150 nan 0.000 0.400 277 E N 1.049 121.235 120.200 -0.023 0.000 2.115 277 E HA 0.463 4.813 4.350 -0.000 0.000 0.282 277 E C -0.657 175.960 176.600 0.029 0.000 0.987 277 E CA -0.152 56.243 56.400 -0.007 0.000 0.797 277 E CB 1.445 31.128 29.700 -0.029 0.000 1.086 277 E HN 0.375 nan 8.360 nan 0.000 0.397 278 V N 6.605 126.533 119.914 0.024 0.000 2.387 278 V HA 0.045 4.165 4.120 -0.000 0.000 0.260 278 V C 1.076 177.188 176.094 0.029 0.000 1.054 278 V CA 0.176 62.492 62.300 0.028 0.000 0.967 278 V CB 0.202 32.030 31.823 0.008 0.000 1.036 278 V HN 0.726 nan 8.190 nan 0.000 0.481 279 L N 3.858 125.111 121.223 0.049 0.000 2.416 279 L HA 0.510 4.850 4.340 -0.000 0.000 0.216 279 L C 0.946 177.852 176.870 0.060 0.000 1.098 279 L CA 0.678 55.550 54.840 0.054 0.000 0.840 279 L CB 0.028 42.132 42.059 0.076 0.000 0.981 279 L HN 0.711 nan 8.230 nan 0.000 0.462 280 A N 0.265 123.120 122.820 0.058 0.000 2.589 280 A HA 0.601 4.921 4.320 -0.000 0.000 0.296 280 A C -1.907 175.690 177.584 0.022 0.000 1.062 280 A CA -0.605 51.464 52.037 0.054 0.000 0.686 280 A CB 1.409 20.466 19.000 0.095 0.000 1.282 280 A HN 0.140 nan 8.150 nan 0.000 0.404 281 D N -0.440 119.973 120.400 0.021 0.000 2.596 281 D HA 0.635 5.275 4.640 -0.000 0.000 0.234 281 D C -0.816 175.520 176.300 0.060 0.000 1.181 281 D CA -0.340 53.663 54.000 0.006 0.000 0.856 281 D CB 1.026 41.807 40.800 -0.030 0.000 1.498 281 D HN 0.631 nan 8.370 nan 0.000 0.446 282 H N -1.223 117.807 119.070 -0.066 0.000 2.747 282 H HA 0.762 5.318 4.556 -0.000 0.000 0.371 282 H C -1.254 174.035 175.328 -0.066 0.000 1.161 282 H CA -0.395 55.620 56.048 -0.054 0.000 1.167 282 H CB 2.250 31.983 29.762 -0.049 0.000 1.732 282 H HN 0.346 nan 8.280 nan 0.000 0.544 283 T N 2.908 116.990 114.554 -0.788 0.000 2.840 283 T HA 0.303 4.653 4.350 -0.000 0.000 0.287 283 T C -0.459 173.810 174.700 -0.718 0.000 0.991 283 T CA -0.662 61.104 62.100 -0.556 0.000 0.964 283 T CB 0.708 69.381 68.868 -0.325 0.000 0.954 283 T HN 0.778 nan 8.240 nan 0.000 0.438 284 S N 2.815 118.302 115.700 -0.355 0.000 2.587 284 S HA 0.556 5.026 4.470 -0.000 0.000 0.260 284 S C 0.818 175.346 174.600 -0.120 0.000 1.353 284 S CA -0.632 57.486 58.200 -0.137 0.000 0.995 284 S CB 0.314 63.551 63.200 0.062 0.000 0.912 284 S HN 0.954 nan 8.310 nan 0.000 0.568 285 A N 1.061 123.852 122.820 -0.048 0.000 2.448 285 A HA 0.288 4.608 4.320 -0.000 0.000 0.239 285 A C 0.576 178.147 177.584 -0.021 0.000 1.080 285 A CA -0.424 51.598 52.037 -0.025 0.000 0.779 285 A CB -0.408 18.603 19.000 0.017 0.000 1.026 285 A HN 0.898 nan 8.150 nan 0.000 0.499 286 E N -0.202 119.983 120.200 -0.024 0.000 2.422 286 E HA 0.045 4.395 4.350 -0.000 0.000 0.260 286 E C 0.909 177.531 176.600 0.036 0.000 1.108 286 E CA -0.391 55.992 56.400 -0.028 0.000 0.943 286 E CB 0.361 30.048 29.700 -0.021 0.000 0.961 286 E HN 0.601 nan 8.360 nan 0.000 0.443 287 L N 2.818 124.070 121.223 0.048 0.000 2.081 287 L HA -0.260 4.079 4.340 -0.000 0.000 0.212 287 L C 2.174 179.112 176.870 0.115 0.000 1.080 287 L CA 2.416 57.328 54.840 0.119 0.000 0.754 287 L CB -0.748 41.374 42.059 0.106 0.000 0.893 287 L HN 0.653 nan 8.230 nan 0.000 0.433 288 S N -1.703 114.053 115.700 0.094 0.000 2.399 288 S HA -0.206 4.264 4.470 -0.000 0.000 0.231 288 S C 1.821 176.492 174.600 0.118 0.000 1.022 288 S CA 1.258 59.524 58.200 0.110 0.000 0.983 288 S CB -0.613 62.650 63.200 0.105 0.000 0.803 288 S HN 0.658 nan 8.310 nan 0.000 0.480 289 E N 1.076 121.339 120.200 0.105 0.000 2.046 289 E HA 0.065 4.415 4.350 -0.000 0.000 0.190 289 E C 2.022 178.712 176.600 0.150 0.000 0.982 289 E CA 1.171 57.643 56.400 0.120 0.000 0.800 289 E CB -0.294 29.463 29.700 0.096 0.000 0.756 289 E HN 0.558 nan 8.360 nan 0.000 0.449 290 I N 1.275 121.916 120.570 0.119 0.000 2.286 290 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 290 I C 2.257 178.500 176.117 0.210 0.000 1.115 290 I CA 0.765 62.124 61.300 0.098 0.000 1.392 290 I CB -0.193 37.815 38.000 0.013 0.000 1.065 290 I HN 0.177 nan 8.210 nan 0.000 0.418 291 L N 0.206 121.568 121.223 0.231 0.000 2.189 291 L HA -0.219 4.121 4.340 -0.000 0.000 0.214 291 L C 2.560 179.562 176.870 0.220 0.000 1.097 291 L CA 1.268 56.291 54.840 0.306 0.000 0.764 291 L CB -0.583 41.600 42.059 0.208 0.000 0.900 291 L HN 0.176 nan 8.230 nan 0.000 0.436 292 V N 0.812 120.840 119.914 0.190 0.000 2.216 292 V HA -0.177 3.943 4.120 -0.000 0.000 0.243 292 V C -0.106 176.073 176.094 0.143 0.000 1.044 292 V CA 2.167 64.549 62.300 0.138 0.000 0.995 292 V CB -1.943 29.995 31.823 0.192 0.000 0.633 292 V HN 0.356 nan 8.190 nan 0.000 0.446 293 P HA -0.200 nan 4.420 nan 0.000 0.220 293 P C 1.779 179.355 177.300 0.460 0.000 1.148 293 P CA 1.634 65.002 63.100 0.447 0.000 0.803 293 P CB -0.178 31.974 31.700 0.753 0.000 0.782 294 F N 0.543 120.698 119.950 0.343 0.000 2.075 294 F HA -0.174 4.353 4.527 -0.000 0.000 0.297 294 F C 2.088 177.956 175.800 0.113 0.000 1.113 294 F CA 1.430 59.634 58.000 0.339 0.000 1.218 294 F CB -0.269 38.924 39.000 0.321 0.000 0.984 294 F HN -0.285 nan 8.300 nan 0.000 0.472 295 M N 0.223 119.637 119.600 -0.310 0.000 2.394 295 M HA -0.040 4.440 4.480 -0.000 0.000 0.266 295 M C 1.874 177.949 176.300 -0.375 0.000 1.098 295 M CA 0.915 55.895 55.300 -0.532 0.000 1.149 295 M CB -0.800 31.482 32.600 -0.530 0.000 1.369 295 M HN 0.093 nan 8.290 nan 0.000 0.450 296 K N 0.225 120.391 120.400 -0.389 0.000 2.057 296 K HA -0.058 4.262 4.320 -0.000 0.000 0.207 296 K C 1.629 177.862 176.600 -0.611 0.000 1.049 296 K CA 1.425 57.352 56.287 -0.601 0.000 0.931 296 K CB -0.295 31.633 32.500 -0.952 0.000 0.714 296 K HN 0.285 nan 8.250 nan 0.000 0.440 297 F N 0.199 120.062 119.950 -0.145 0.000 2.721 297 F HA 0.218 4.745 4.527 -0.000 0.000 0.301 297 F C 0.621 176.365 175.800 -0.094 0.000 1.096 297 F CA -0.425 57.496 58.000 -0.131 0.000 1.308 297 F CB 0.134 39.046 39.000 -0.146 0.000 1.086 297 F HN -0.212 nan 8.300 nan 0.000 0.587 298 S N 1.128 116.840 115.700 0.020 0.000 3.963 298 S HA -0.270 4.200 4.470 -0.000 0.000 0.438 298 S C -0.044 174.614 174.600 0.095 0.000 0.879 298 S CA -0.003 58.190 58.200 -0.012 0.000 1.262 298 S CB -1.950 61.226 63.200 -0.041 0.000 0.850 298 S HN 0.593 nan 8.310 nan 0.000 0.570 299 N N 1.472 120.296 118.700 0.207 0.000 2.415 299 N HA 0.326 5.066 4.740 -0.000 0.000 0.246 299 N C 1.132 176.788 175.510 0.243 0.000 1.078 299 N CA -0.621 52.521 53.050 0.154 0.000 0.942 299 N CB 0.368 38.809 38.487 -0.076 0.000 1.140 299 N HN 0.337 nan 8.380 nan 0.000 0.501 300 N N 2.520 121.317 118.700 0.162 0.000 2.166 300 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 300 N C 1.778 177.421 175.510 0.221 0.000 1.019 300 N CA 1.027 54.195 53.050 0.196 0.000 0.856 300 N CB -0.356 38.191 38.487 0.099 0.000 0.993 300 N HN 0.683 nan 8.380 nan 0.000 0.426 301 G N 0.877 109.766 108.800 0.148 0.000 2.421 301 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 301 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 301 G C 1.230 176.245 174.900 0.192 0.000 1.171 301 G CA 0.852 46.061 45.100 0.182 0.000 0.775 301 G HN 0.344 nan 8.290 nan 0.000 0.543 302 H N 1.167 120.250 119.070 0.021 0.000 2.319 302 H HA -0.021 4.535 4.556 -0.000 0.000 0.297 302 H C 2.919 178.005 175.328 -0.404 0.000 1.097 302 H CA 1.171 57.078 56.048 -0.236 0.000 1.285 302 H CB -0.966 28.578 29.762 -0.364 0.000 1.368 302 H HN 0.367 nan 8.280 nan 0.000 0.495 303 A N 1.503 124.236 122.820 -0.144 0.000 1.892 303 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 303 A C 2.295 179.943 177.584 0.105 0.000 1.188 303 A CA 1.978 54.012 52.037 -0.005 0.000 0.631 303 A CB -0.191 19.049 19.000 0.399 0.000 0.822 303 A HN 0.348 nan 8.150 nan 0.000 0.447 304 E N -0.364 119.970 120.200 0.223 0.000 2.072 304 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 304 E C 2.101 178.662 176.600 -0.066 0.000 0.982 304 E CA 1.151 57.711 56.400 0.265 0.000 0.803 304 E CB -0.534 29.503 29.700 0.562 0.000 0.755 304 E HN 0.730 nan 8.360 nan 0.000 0.453 305 M N 0.378 119.965 119.600 -0.020 0.000 2.117 305 M HA -0.118 4.362 4.480 -0.000 0.000 0.262 305 M C 2.410 178.648 176.300 -0.102 0.000 1.065 305 M CA 1.200 56.486 55.300 -0.023 0.000 1.114 305 M CB -0.330 32.326 32.600 0.093 0.000 1.361 305 M HN 0.052 nan 8.290 nan 0.000 0.408 306 L N -0.710 120.439 121.223 -0.123 0.000 2.083 306 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 306 L C 2.430 179.255 176.870 -0.075 0.000 1.083 306 L CA 0.896 55.683 54.840 -0.089 0.000 0.752 306 L CB -0.670 41.306 42.059 -0.137 0.000 0.899 306 L HN 0.140 nan 8.230 nan 0.000 0.433 307 V N 0.052 119.909 119.914 -0.094 0.000 2.261 307 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 307 V C 2.465 178.401 176.094 -0.263 0.000 1.047 307 V CA 1.796 64.039 62.300 -0.094 0.000 1.015 307 V CB -0.468 31.373 31.823 0.030 0.000 0.642 307 V HN 0.434 nan 8.190 nan 0.000 0.446 308 K N -0.136 119.931 120.400 -0.555 0.000 2.147 308 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 308 K C 2.349 178.578 176.600 -0.618 0.000 1.049 308 K CA 1.559 57.312 56.287 -0.890 0.000 0.936 308 K CB -0.272 31.163 32.500 -1.775 0.000 0.722 308 K HN 0.385 nan 8.250 nan 0.000 0.446 309 S N 1.430 116.973 115.700 -0.261 0.000 2.383 309 S HA -0.051 4.419 4.470 -0.000 0.000 0.227 309 S C 1.955 176.570 174.600 0.026 0.000 1.026 309 S CA 0.868 59.156 58.200 0.148 0.000 0.981 309 S CB -0.154 63.264 63.200 0.365 0.000 0.818 309 S HN 0.208 nan 8.310 nan 0.000 0.472 310 I N 1.499 122.041 120.570 -0.047 0.000 2.286 310 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 310 I C 2.603 178.677 176.117 -0.073 0.000 1.115 310 I CA 1.128 62.399 61.300 -0.048 0.000 1.392 310 I CB -0.669 37.310 38.000 -0.034 0.000 1.065 310 I HN 0.366 nan 8.210 nan 0.000 0.418 311 G N -0.356 108.364 108.800 -0.132 0.000 2.422 311 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 311 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 311 G C 1.621 176.426 174.900 -0.159 0.000 1.140 311 G CA 0.229 45.239 45.100 -0.149 0.000 0.775 311 G HN 0.272 nan 8.290 nan 0.000 0.545 312 Q N -0.012 119.677 119.800 -0.185 0.000 2.049 312 Q HA -0.065 4.274 4.340 -0.000 0.000 0.198 312 Q C 2.444 178.382 176.000 -0.104 0.000 0.971 312 Q CA 1.433 57.093 55.803 -0.237 0.000 0.833 312 Q CB -0.232 28.263 28.738 -0.405 0.000 0.896 312 Q HN 0.544 nan 8.270 nan 0.000 0.434 313 E N 0.105 120.291 120.200 -0.022 0.000 2.204 313 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 313 E C 1.642 178.238 176.600 -0.006 0.000 0.990 313 E CA 1.776 58.186 56.400 0.016 0.000 0.821 313 E CB 0.055 29.766 29.700 0.019 0.000 0.750 313 E HN 0.429 nan 8.360 nan 0.000 0.477 314 T N -4.027 110.509 114.554 -0.029 0.000 3.023 314 T HA 0.422 4.772 4.350 -0.000 0.000 0.249 314 T C 1.327 176.007 174.700 -0.033 0.000 1.050 314 T CA 0.296 62.382 62.100 -0.023 0.000 1.088 314 T CB 0.611 69.467 68.868 -0.020 0.000 0.946 314 T HN 0.113 nan 8.240 nan 0.000 0.480 315 A N 0.145 122.931 122.820 -0.057 0.000 2.701 315 A HA 0.702 5.022 4.320 -0.000 0.000 0.241 315 A C 1.513 179.045 177.584 -0.086 0.000 1.231 315 A CA 0.341 52.341 52.037 -0.062 0.000 1.003 315 A CB -0.252 18.711 19.000 -0.061 0.000 1.281 315 A HN 1.302 nan 8.150 nan 0.000 0.600 316 G N -0.513 108.219 108.800 -0.114 0.000 2.249 316 G HA2 0.209 4.169 3.960 -0.000 0.000 0.273 316 G HA3 0.209 4.169 3.960 -0.000 0.000 0.273 316 G C 0.226 175.007 174.900 -0.198 0.000 1.036 316 G CA 0.528 45.534 45.100 -0.157 0.000 0.824 316 G HN 1.998 nan 8.290 nan 0.000 0.504 317 A N -0.706 121.984 122.820 -0.217 0.000 2.429 317 A HA 0.790 5.110 4.320 -0.000 0.000 0.289 317 A C 0.408 177.836 177.584 -0.261 0.000 1.043 317 A CA 0.430 52.340 52.037 -0.212 0.000 0.722 317 A CB 1.267 20.181 19.000 -0.142 0.000 1.243 317 A HN 1.753 nan 8.150 nan 0.000 0.415 318 G N 2.474 111.105 108.800 -0.281 0.000 3.101 318 G HA2 0.467 4.427 3.960 -0.000 0.000 0.272 318 G HA3 0.467 4.427 3.960 -0.000 0.000 0.272 318 G C 0.284 174.930 174.900 -0.424 0.000 0.801 318 G CA 0.675 45.562 45.100 -0.355 0.000 1.978 318 G HN 1.281 nan 8.290 nan 0.000 0.591 319 T N -2.861 111.456 114.554 -0.394 0.000 2.896 319 T HA 0.355 4.705 4.350 -0.000 0.000 0.297 319 T C 0.611 175.133 174.700 -0.297 0.000 1.108 319 T CA -0.940 60.966 62.100 -0.323 0.000 1.004 319 T CB 1.645 70.425 68.868 -0.147 0.000 1.159 319 T HN 0.224 nan 8.240 nan 0.000 0.499 320 W N 0.830 122.021 121.300 -0.180 0.000 2.381 320 W HA -0.028 4.632 4.660 -0.000 0.000 0.301 320 W C 1.506 177.954 176.519 -0.117 0.000 1.205 320 W CA 1.398 58.651 57.345 -0.154 0.000 1.285 320 W CB -0.707 28.658 29.460 -0.158 0.000 1.133 320 W HN 0.795 nan 8.180 nan 0.000 0.521 321 D N -0.117 120.351 120.400 0.112 0.000 2.116 321 D HA -0.165 4.475 4.640 -0.000 0.000 0.193 321 D C 2.250 178.553 176.300 0.005 0.000 0.998 321 D CA 2.299 56.323 54.000 0.041 0.000 0.836 321 D CB -0.718 40.091 40.800 0.015 0.000 0.951 321 D HN 0.012 nan 8.370 nan 0.000 0.449 322 A N 0.420 123.221 122.820 -0.031 0.000 1.854 322 A HA 0.078 4.398 4.320 -0.000 0.000 0.214 322 A C 2.395 179.949 177.584 -0.050 0.000 1.192 322 A CA 1.978 53.984 52.037 -0.052 0.000 0.611 322 A CB -1.172 17.774 19.000 -0.090 0.000 0.832 322 A HN 0.287 nan 8.150 nan 0.000 0.442 323 G N 0.060 108.814 108.800 -0.077 0.000 2.529 323 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 323 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 323 G C 1.358 176.262 174.900 0.007 0.000 1.177 323 G CA 1.422 46.484 45.100 -0.063 0.000 0.773 323 G HN 0.328 nan 8.290 nan 0.000 0.573 324 L N 0.447 121.698 121.223 0.047 0.000 2.083 324 L HA 0.004 4.344 4.340 -0.000 0.000 0.209 324 L C 3.169 180.056 176.870 0.029 0.000 1.083 324 L CA 0.676 55.550 54.840 0.057 0.000 0.752 324 L CB -1.021 41.078 42.059 0.066 0.000 0.899 324 L HN 0.125 nan 8.230 nan 0.000 0.433 325 V N -0.168 119.754 119.914 0.014 0.000 2.343 325 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 325 V C 2.573 178.674 176.094 0.011 0.000 1.051 325 V CA 1.838 64.142 62.300 0.007 0.000 1.036 325 V CB -1.279 30.542 31.823 -0.003 0.000 0.654 325 V HN 0.556 nan 8.190 nan 0.000 0.451 326 G N -0.443 108.361 108.800 0.005 0.000 2.422 326 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 326 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 326 G C 1.648 176.566 174.900 0.030 0.000 1.146 326 G CA 1.224 46.330 45.100 0.009 0.000 0.769 326 G HN 0.385 nan 8.290 nan 0.000 0.547 327 V N 0.692 120.631 119.914 0.042 0.000 2.237 327 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 327 V C 2.734 178.874 176.094 0.076 0.000 1.046 327 V CA 2.097 64.440 62.300 0.072 0.000 1.007 327 V CB -0.346 31.533 31.823 0.095 0.000 0.638 327 V HN 0.397 nan 8.190 nan 0.000 0.445 328 E N 0.461 120.691 120.200 0.051 0.000 2.097 328 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 328 E C 2.161 178.789 176.600 0.047 0.000 1.000 328 E CA 1.960 58.384 56.400 0.040 0.000 0.804 328 E CB -0.136 29.572 29.700 0.014 0.000 0.740 328 E HN 0.725 nan 8.360 nan 0.000 0.454 329 E N -0.156 120.067 120.200 0.039 0.000 2.106 329 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 329 E C 2.036 178.667 176.600 0.051 0.000 0.984 329 E CA 0.834 57.257 56.400 0.037 0.000 0.806 329 E CB -0.119 29.596 29.700 0.026 0.000 0.750 329 E HN 0.316 nan 8.360 nan 0.000 0.458 330 A N 1.149 124.006 122.820 0.061 0.000 1.933 330 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 330 A C 2.161 179.805 177.584 0.100 0.000 1.175 330 A CA 0.990 53.073 52.037 0.077 0.000 0.628 330 A CB -0.492 18.552 19.000 0.075 0.000 0.814 330 A HN 0.120 nan 8.150 nan 0.000 0.444 331 L N -0.707 120.582 121.223 0.111 0.000 2.109 331 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 331 L C 2.789 179.719 176.870 0.100 0.000 1.086 331 L CA 1.248 56.169 54.840 0.135 0.000 0.760 331 L CB -0.361 41.810 42.059 0.187 0.000 0.910 331 L HN 0.296 nan 8.230 nan 0.000 0.437 332 S N 0.159 115.904 115.700 0.075 0.000 2.382 332 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 332 S C 1.990 176.619 174.600 0.047 0.000 1.027 332 S CA 1.258 59.491 58.200 0.054 0.000 0.991 332 S CB -0.526 62.698 63.200 0.040 0.000 0.823 332 S HN 0.596 nan 8.310 nan 0.000 0.469 333 G N 0.837 109.668 108.800 0.052 0.000 2.509 333 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.218 333 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.218 333 G C 1.196 176.124 174.900 0.047 0.000 1.124 333 G CA 0.290 45.418 45.100 0.046 0.000 0.776 333 G HN 0.420 nan 8.290 nan 0.000 0.547 334 L N 0.335 121.594 121.223 0.061 0.000 2.554 334 L HA 0.364 4.704 4.340 -0.000 0.000 0.226 334 L C 1.910 178.788 176.870 0.014 0.000 1.137 334 L CA 1.243 56.111 54.840 0.047 0.000 0.863 334 L CB -0.026 42.089 42.059 0.093 0.000 0.985 334 L HN 0.359 nan 8.230 nan 0.000 0.451 335 G N -1.213 107.602 108.800 0.025 0.000 2.157 335 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.239 335 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.239 335 G C 0.207 175.125 174.900 0.029 0.000 0.982 335 G CA 0.116 45.225 45.100 0.016 0.000 0.650 335 G HN 0.172 nan 8.290 nan 0.000 0.527 336 V N 1.697 121.642 119.914 0.052 0.000 2.508 336 V HA 0.358 4.478 4.120 -0.000 0.000 0.281 336 V C 0.551 176.690 176.094 0.075 0.000 1.041 336 V CA -0.293 62.054 62.300 0.079 0.000 1.016 336 V CB 1.606 33.511 31.823 0.137 0.000 0.984 336 V HN 0.366 nan 8.190 nan 0.000 0.478 337 D N 4.045 124.485 120.400 0.067 0.000 2.338 337 D HA 0.059 4.699 4.640 -0.000 0.000 0.255 337 D C 1.149 177.483 176.300 0.056 0.000 1.237 337 D CA 0.109 54.139 54.000 0.051 0.000 0.883 337 D CB 1.376 42.201 40.800 0.041 0.000 1.087 337 D HN 0.738 nan 8.370 nan 0.000 0.485 338 T N 0.845 115.422 114.554 0.038 0.000 3.145 338 T HA 0.321 4.671 4.350 -0.000 0.000 0.255 338 T C 1.671 176.365 174.700 -0.010 0.000 1.039 338 T CA 0.218 62.326 62.100 0.014 0.000 0.928 338 T CB 0.342 69.216 68.868 0.010 0.000 1.029 338 T HN 0.246 nan 8.240 nan 0.000 0.554 339 A N 1.966 124.787 122.820 0.002 0.000 1.892 339 A HA 0.146 4.466 4.320 -0.000 0.000 0.218 339 A C 2.505 180.081 177.584 -0.014 0.000 1.188 339 A CA 1.678 53.712 52.037 -0.004 0.000 0.631 339 A CB -1.457 17.545 19.000 0.003 0.000 0.822 339 A HN 0.633 nan 8.150 nan 0.000 0.447 340 G N -1.467 107.325 108.800 -0.013 0.000 2.744 340 G HA2 0.282 4.242 3.960 -0.000 0.000 0.211 340 G HA3 0.282 4.242 3.960 -0.000 0.000 0.211 340 G C 0.543 175.411 174.900 -0.053 0.000 1.143 340 G CA -0.197 44.891 45.100 -0.020 0.000 0.788 340 G HN 0.399 nan 8.290 nan 0.000 0.534 341 L N 1.477 122.647 121.223 -0.089 0.000 2.349 341 L HA 0.383 4.723 4.340 -0.000 0.000 0.275 341 L C -0.606 176.195 176.870 -0.116 0.000 1.115 341 L CA -0.435 54.307 54.840 -0.164 0.000 0.820 341 L CB 1.823 43.733 42.059 -0.248 0.000 1.135 341 L HN -0.171 nan 8.230 nan 0.000 0.445 342 V N 5.581 125.426 119.914 -0.115 0.000 2.444 342 V HA 0.327 4.447 4.120 -0.000 0.000 0.294 342 V C -0.370 175.671 176.094 -0.088 0.000 1.022 342 V CA -0.582 61.670 62.300 -0.080 0.000 0.850 342 V CB 1.792 33.584 31.823 -0.051 0.000 0.992 342 V HN 0.431 nan 8.190 nan 0.000 0.426 343 L N 4.514 125.693 121.223 -0.073 0.000 2.265 343 L HA 0.536 4.876 4.340 -0.000 0.000 0.289 343 L C 0.749 177.594 176.870 -0.042 0.000 1.033 343 L CA 0.287 55.094 54.840 -0.055 0.000 0.814 343 L CB 0.948 42.984 42.059 -0.039 0.000 1.203 343 L HN 0.564 nan 8.230 nan 0.000 0.423 344 N N 0.538 119.211 118.700 -0.044 0.000 2.317 344 N HA 0.061 4.801 4.740 -0.000 0.000 0.199 344 N C -0.656 174.754 175.510 -0.167 0.000 1.145 344 N CA 0.222 53.217 53.050 -0.092 0.000 0.882 344 N CB 0.796 39.234 38.487 -0.081 0.000 1.113 344 N HN 0.800 nan 8.380 nan 0.000 0.486 345 D N -3.261 117.104 120.400 -0.058 0.000 2.677 345 D HA 0.330 4.970 4.640 -0.000 0.000 0.298 345 D C 0.760 177.157 176.300 0.163 0.000 1.250 345 D CA -0.608 53.379 54.000 -0.021 0.000 0.888 345 D CB 0.387 41.173 40.800 -0.023 0.000 1.397 345 D HN -0.095 nan 8.370 nan 0.000 0.461 346 G N -1.098 107.877 108.800 0.291 0.000 2.595 346 G HA2 0.002 3.962 3.960 -0.000 0.000 0.213 346 G HA3 0.002 3.962 3.960 -0.000 0.000 0.213 346 G C 1.180 176.272 174.900 0.320 0.000 1.141 346 G CA 0.836 46.114 45.100 0.296 0.000 0.806 346 G HN 0.570 nan 8.290 nan 0.000 0.530 347 S N -0.495 115.409 115.700 0.340 0.000 2.425 347 S HA 0.324 4.794 4.470 -0.000 0.000 0.225 347 S C 2.026 176.746 174.600 0.199 0.000 1.024 347 S CA 1.321 59.703 58.200 0.303 0.000 0.951 347 S CB -0.147 63.233 63.200 0.301 0.000 0.796 347 S HN 1.465 nan 8.310 nan 0.000 0.498 348 G N 0.908 109.816 108.800 0.180 0.000 2.176 348 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.232 348 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.232 348 G C 0.587 175.513 174.900 0.042 0.000 0.986 348 G CA 0.309 45.471 45.100 0.103 0.000 0.643 348 G HN 0.460 nan 8.290 nan 0.000 0.522 349 L N 1.027 122.265 121.223 0.026 0.000 2.042 349 L HA 0.054 4.394 4.340 -0.000 0.000 0.210 349 L C 1.952 178.796 176.870 -0.044 0.000 1.076 349 L CA 1.886 56.635 54.840 -0.151 0.000 0.749 349 L CB -0.579 41.165 42.059 -0.526 0.000 0.893 349 L HN 0.457 nan 8.230 nan 0.000 0.432 350 S N 0.007 115.847 115.700 0.235 0.000 2.525 350 S HA -0.026 4.444 4.470 -0.000 0.000 0.285 350 S C 1.205 175.864 174.600 0.098 0.000 1.283 350 S CA -0.244 58.116 58.200 0.268 0.000 1.072 350 S CB 0.426 63.766 63.200 0.233 0.000 0.867 350 S HN 0.258 nan 8.310 nan 0.000 0.492 351 R N 3.415 123.967 120.500 0.087 0.000 2.339 351 R HA 0.015 4.355 4.340 -0.000 0.000 0.199 351 R C 1.765 178.100 176.300 0.058 0.000 1.018 351 R CA 0.649 56.781 56.100 0.054 0.000 1.036 351 R CB -0.296 30.056 30.300 0.087 0.000 0.899 351 R HN 0.740 nan 8.270 nan 0.000 0.473 352 G N 0.076 108.909 108.800 0.055 0.000 3.042 352 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.212 352 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.212 352 G C 0.227 175.128 174.900 0.002 0.000 1.166 352 G CA -0.322 44.792 45.100 0.023 0.000 0.767 352 G HN 0.128 nan 8.290 nan 0.000 0.546 353 N N 0.449 119.154 118.700 0.008 0.000 2.524 353 N HA 0.543 5.283 4.740 -0.000 0.000 0.283 353 N C -0.817 174.683 175.510 -0.017 0.000 1.142 353 N CA 0.022 53.067 53.050 -0.009 0.000 0.984 353 N CB 2.020 40.513 38.487 0.010 0.000 1.155 353 N HN -0.004 nan 8.380 nan 0.000 0.467 354 L N 1.065 122.263 121.223 -0.042 0.000 2.431 354 L HA 0.588 4.927 4.340 -0.000 0.000 0.266 354 L C -0.287 176.539 176.870 -0.074 0.000 0.978 354 L CA -0.971 53.846 54.840 -0.040 0.000 0.822 354 L CB 2.121 44.161 42.059 -0.032 0.000 1.310 354 L HN 0.265 nan 8.230 nan 0.000 0.409 355 V N -1.046 118.845 119.914 -0.038 0.000 3.167 355 V HA 0.881 5.001 4.120 -0.000 0.000 0.310 355 V C -0.375 175.730 176.094 0.018 0.000 1.207 355 V CA -0.535 61.745 62.300 -0.034 0.000 1.059 355 V CB 2.087 33.932 31.823 0.036 0.000 1.079 355 V HN 0.811 nan 8.190 nan 0.000 0.446 356 T N -1.667 112.914 114.554 0.046 0.000 2.932 356 T HA 0.777 5.127 4.350 -0.000 0.000 0.289 356 T C 1.060 175.813 174.700 0.088 0.000 1.039 356 T CA -0.050 62.084 62.100 0.057 0.000 1.024 356 T CB 1.661 70.556 68.868 0.044 0.000 1.090 356 T HN 1.727 nan 8.240 nan 0.000 0.496 357 A N 1.183 124.048 122.820 0.075 0.000 1.940 357 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 357 A C 1.924 179.554 177.584 0.076 0.000 1.176 357 A CA 1.835 53.919 52.037 0.077 0.000 0.631 357 A CB -1.052 17.994 19.000 0.077 0.000 0.814 357 A HN 0.902 nan 8.150 nan 0.000 0.446 358 D N -0.535 119.907 120.400 0.070 0.000 2.144 358 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 358 D C 2.033 178.383 176.300 0.084 0.000 0.984 358 D CA 1.872 55.911 54.000 0.064 0.000 0.834 358 D CB -0.601 40.228 40.800 0.050 0.000 0.955 358 D HN 0.454 nan 8.370 nan 0.000 0.465 359 T N 0.434 115.059 114.554 0.118 0.000 2.777 359 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 359 T C 2.302 177.163 174.700 0.267 0.000 1.040 359 T CA 0.616 62.831 62.100 0.192 0.000 1.141 359 T CB -0.297 68.691 68.868 0.201 0.000 0.868 359 T HN -0.022 nan 8.240 nan 0.000 0.444 360 V N 1.351 121.409 119.914 0.241 0.000 2.295 360 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 360 V C 2.700 178.775 176.094 -0.031 0.000 1.049 360 V CA 1.330 63.685 62.300 0.091 0.000 1.024 360 V CB -0.791 31.067 31.823 0.059 0.000 0.648 360 V HN 0.305 nan 8.190 nan 0.000 0.447 361 V N 0.408 120.321 119.914 -0.002 0.000 2.407 361 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 361 V C 2.446 178.539 176.094 -0.002 0.000 1.055 361 V CA 2.234 64.520 62.300 -0.023 0.000 1.049 361 V CB -0.680 31.152 31.823 0.014 0.000 0.662 361 V HN 0.623 nan 8.190 nan 0.000 0.455 362 D N 0.165 120.584 120.400 0.032 0.000 2.116 362 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 362 D C 2.056 178.362 176.300 0.011 0.000 0.998 362 D CA 1.648 55.670 54.000 0.037 0.000 0.836 362 D CB -0.155 40.686 40.800 0.069 0.000 0.951 362 D HN 0.330 nan 8.370 nan 0.000 0.449 363 L N 0.564 121.785 121.223 -0.004 0.000 2.017 363 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 363 L C 2.432 179.242 176.870 -0.100 0.000 1.073 363 L CA 1.445 56.236 54.840 -0.080 0.000 0.745 363 L CB -0.779 41.133 42.059 -0.245 0.000 0.894 363 L HN 0.112 nan 8.230 nan 0.000 0.432 364 L N -0.538 120.642 121.223 -0.073 0.000 2.079 364 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 364 L C 2.522 179.457 176.870 0.110 0.000 1.081 364 L CA 1.280 56.110 54.840 -0.016 0.000 0.752 364 L CB -1.467 40.426 42.059 -0.276 0.000 0.896 364 L HN 0.496 nan 8.230 nan 0.000 0.433 365 G N -1.150 107.675 108.800 0.042 0.000 2.402 365 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 365 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 365 G C 1.553 176.441 174.900 -0.020 0.000 1.162 365 G CA 0.168 45.298 45.100 0.050 0.000 0.777 365 G HN 0.251 nan 8.290 nan 0.000 0.539 366 Q N 0.446 120.205 119.800 -0.070 0.000 2.123 366 Q HA 0.073 4.413 4.340 -0.000 0.000 0.199 366 Q C 2.963 178.794 176.000 -0.282 0.000 0.966 366 Q CA 1.267 56.987 55.803 -0.138 0.000 0.845 366 Q CB -0.603 28.074 28.738 -0.101 0.000 0.907 366 Q HN 0.438 nan 8.270 nan 0.000 0.439 367 A N 0.778 123.393 122.820 -0.343 0.000 1.933 367 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 367 A C 2.301 179.559 177.584 -0.543 0.000 1.175 367 A CA 1.657 53.296 52.037 -0.664 0.000 0.628 367 A CB -0.965 17.380 19.000 -1.091 0.000 0.814 367 A HN 0.439 nan 8.150 nan 0.000 0.444 368 G N -1.198 107.471 108.800 -0.217 0.000 2.471 368 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.219 368 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.219 368 G C 1.508 176.286 174.900 -0.203 0.000 1.125 368 G CA 1.259 46.265 45.100 -0.158 0.000 0.775 368 G HN 0.510 nan 8.290 nan 0.000 0.548 369 S N 0.014 115.565 115.700 -0.247 0.000 2.502 369 S HA 0.500 4.970 4.470 -0.000 0.000 0.215 369 S C 1.408 175.801 174.600 -0.344 0.000 1.009 369 S CA 0.075 58.137 58.200 -0.231 0.000 0.908 369 S CB 0.374 63.474 63.200 -0.166 0.000 0.801 369 S HN 0.604 nan 8.310 nan 0.000 0.505 370 A N 3.144 125.618 122.820 -0.578 0.000 2.507 370 A HA 0.280 4.600 4.320 -0.000 0.000 0.235 370 A C -0.878 176.266 177.584 -0.734 0.000 1.070 370 A CA -0.895 50.604 52.037 -0.897 0.000 0.768 370 A CB -0.108 17.737 19.000 -1.926 0.000 1.011 370 A HN 0.161 nan 8.150 nan 0.000 0.502 371 P HA -0.122 nan 4.420 nan 0.000 0.220 371 P C 0.849 178.050 177.300 -0.166 0.000 1.148 371 P CA 1.434 64.360 63.100 -0.291 0.000 0.803 371 P CB -0.148 31.467 31.700 -0.142 0.000 0.782 372 W N -1.337 119.963 121.300 0.001 0.000 3.447 372 W HA 0.622 5.282 4.660 0.000 0.000 0.348 372 W C 0.958 177.521 176.519 0.073 0.000 1.220 372 W CA -0.098 57.273 57.345 0.043 0.000 1.809 372 W CB -1.318 28.181 29.460 0.066 0.000 1.040 372 W HN -0.104 nan 8.180 nan 0.000 0.735 373 A N 1.140 123.986 122.820 0.043 0.000 2.070 373 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 373 A C 2.135 179.858 177.584 0.232 0.000 1.159 373 A CA 1.849 53.933 52.037 0.079 0.000 0.656 373 A CB -0.354 18.574 19.000 -0.120 0.000 0.800 373 A HN 0.302 nan 8.150 nan 0.000 0.453 374 Q N -0.264 119.648 119.800 0.187 0.000 2.033 374 Q HA -0.082 4.258 4.340 -0.000 0.000 0.196 374 Q C 2.265 178.386 176.000 0.200 0.000 0.970 374 Q CA 2.457 58.350 55.803 0.151 0.000 0.828 374 Q CB -0.625 28.174 28.738 0.101 0.000 0.895 374 Q HN 0.713 nan 8.270 nan 0.000 0.440 375 T N -1.644 113.059 114.554 0.249 0.000 3.007 375 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 375 T C 1.460 176.329 174.700 0.282 0.000 1.107 375 T CA 0.906 63.144 62.100 0.230 0.000 1.118 375 T CB -0.503 68.493 68.868 0.215 0.000 0.889 375 T HN 0.524 nan 8.240 nan 0.000 0.506 376 W N 2.025 123.445 121.300 0.199 0.000 2.444 376 W HA -0.019 4.641 4.660 -0.000 0.000 0.308 376 W C 2.374 178.972 176.519 0.132 0.000 1.183 376 W CA 1.041 58.506 57.345 0.200 0.000 1.340 376 W CB -0.723 28.979 29.460 0.404 0.000 1.138 376 W HN 0.385 nan 8.180 nan 0.000 0.510 377 S N 1.329 117.163 115.700 0.222 0.000 2.399 377 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 377 S C 2.123 176.706 174.600 -0.027 0.000 1.022 377 S CA 1.933 60.155 58.200 0.036 0.000 0.983 377 S CB -0.680 62.555 63.200 0.058 0.000 0.803 377 S HN 0.296 nan 8.310 nan 0.000 0.480 378 A N 1.045 123.879 122.820 0.024 0.000 2.019 378 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 378 A C 2.409 179.974 177.584 -0.031 0.000 1.164 378 A CA 2.020 54.067 52.037 0.016 0.000 0.644 378 A CB -0.948 18.088 19.000 0.060 0.000 0.805 378 A HN 0.853 nan 8.150 nan 0.000 0.449 379 S N -0.984 114.664 115.700 -0.087 0.000 2.501 379 S HA 0.255 4.725 4.470 -0.000 0.000 0.220 379 S C 0.576 175.035 174.600 -0.236 0.000 0.997 379 S CA -0.298 57.818 58.200 -0.140 0.000 0.919 379 S CB -0.493 62.615 63.200 -0.153 0.000 0.778 379 S HN 0.350 nan 8.310 nan 0.000 0.523 380 L N 2.728 123.798 121.223 -0.255 0.000 2.367 380 L HA 0.382 4.722 4.340 -0.000 0.000 0.275 380 L C -2.461 174.302 176.870 -0.178 0.000 1.129 380 L CA -2.316 52.370 54.840 -0.258 0.000 0.839 380 L CB 0.240 42.157 42.059 -0.237 0.000 1.133 380 L HN 0.007 nan 8.230 nan 0.000 0.453 381 P HA -0.047 nan 4.420 nan 0.000 0.264 381 P C -0.809 176.439 177.300 -0.086 0.000 1.183 381 P CA 0.048 63.056 63.100 -0.153 0.000 0.763 381 P CB 0.461 32.067 31.700 -0.156 0.000 0.807 382 V N 3.159 123.034 119.914 -0.065 0.000 2.370 382 V HA 0.439 4.559 4.120 -0.000 0.000 0.279 382 V C 0.637 176.715 176.094 -0.027 0.000 1.029 382 V CA -1.092 61.189 62.300 -0.032 0.000 0.870 382 V CB 0.836 32.645 31.823 -0.022 0.000 0.984 382 V HN 0.659 nan 8.190 nan 0.000 0.451 383 A N 4.005 126.815 122.820 -0.017 0.000 2.561 383 A HA 0.462 4.781 4.320 -0.000 0.000 0.251 383 A C 1.551 179.123 177.584 -0.020 0.000 1.062 383 A CA 0.835 52.861 52.037 -0.018 0.000 0.761 383 A CB -0.675 18.314 19.000 -0.017 0.000 0.986 383 A HN 2.267 nan 8.150 nan 0.000 0.510 384 G N 1.621 110.411 108.800 -0.017 0.000 2.159 384 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.256 384 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.256 384 G C -0.043 174.854 174.900 -0.004 0.000 0.977 384 G CA 0.291 45.384 45.100 -0.012 0.000 0.652 384 G HN 0.817 nan 8.290 nan 0.000 0.531 385 E N 0.771 120.969 120.200 -0.003 0.000 2.194 385 E HA 0.448 4.798 4.350 -0.000 0.000 0.284 385 E C 1.145 177.757 176.600 0.021 0.000 1.035 385 E CA 0.179 56.584 56.400 0.009 0.000 0.836 385 E CB 1.310 31.014 29.700 0.007 0.000 1.070 385 E HN 0.175 nan 8.360 nan 0.000 0.401 386 S N 1.744 117.461 115.700 0.028 0.000 2.402 386 S HA -0.127 4.343 4.470 -0.000 0.000 0.229 386 S C 0.763 175.401 174.600 0.063 0.000 1.021 386 S CA 0.571 58.794 58.200 0.038 0.000 0.974 386 S CB 0.059 63.279 63.200 0.033 0.000 0.800 386 S HN 0.487 nan 8.310 nan 0.000 0.484 387 D N 2.279 122.724 120.400 0.075 0.000 2.382 387 D HA 0.080 4.720 4.640 -0.000 0.000 0.259 387 D C -1.479 174.914 176.300 0.154 0.000 1.224 387 D CA -2.050 52.023 54.000 0.122 0.000 0.894 387 D CB 1.161 42.033 40.800 0.120 0.000 1.127 387 D HN 0.030 nan 8.370 nan 0.000 0.487 388 P HA -0.198 nan 4.420 nan 0.000 0.216 388 P C 1.343 178.752 177.300 0.182 0.000 1.154 388 P CA 1.126 64.393 63.100 0.278 0.000 0.865 388 P CB -0.074 31.844 31.700 0.364 0.000 0.789 389 F N -1.302 118.764 119.950 0.193 0.000 2.699 389 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 389 F C 2.206 177.955 175.800 -0.084 0.000 1.154 389 F CA 0.658 58.679 58.000 0.035 0.000 1.457 389 F CB -0.462 38.624 39.000 0.144 0.000 1.106 389 F HN -0.235 nan 8.300 nan 0.000 0.585 390 V N -1.631 118.332 119.914 0.081 0.000 2.721 390 V HA 0.137 4.257 4.120 -0.000 0.000 0.236 390 V C 2.452 178.514 176.094 -0.054 0.000 1.116 390 V CA 1.333 63.643 62.300 0.016 0.000 1.148 390 V CB -0.957 30.893 31.823 0.046 0.000 0.886 390 V HN 0.224 nan 8.190 nan 0.000 0.490 391 G N -0.676 108.101 108.800 -0.037 0.000 2.511 391 G HA2 0.296 4.256 3.960 -0.000 0.000 0.217 391 G HA3 0.296 4.256 3.960 -0.000 0.000 0.217 391 G C 1.219 176.054 174.900 -0.108 0.000 1.133 391 G CA 1.122 46.190 45.100 -0.053 0.000 0.792 391 G HN 0.851 nan 8.290 nan 0.000 0.539 392 G N 0.284 108.973 108.800 -0.185 0.000 2.660 392 G HA2 -0.402 3.557 3.960 -0.000 0.000 0.321 392 G HA3 -0.402 3.557 3.960 -0.000 0.000 0.321 392 G C 1.484 176.325 174.900 -0.097 0.000 1.246 392 G CA 2.350 47.259 45.100 -0.318 0.000 1.000 392 G HN 1.200 nan 8.290 nan 0.000 0.550 393 T N -0.462 114.029 114.554 -0.105 0.000 3.148 393 T HA 0.440 4.790 4.350 -0.000 0.000 0.253 393 T C 1.940 176.613 174.700 -0.044 0.000 1.134 393 T CA 1.427 63.501 62.100 -0.044 0.000 1.051 393 T CB 0.092 68.925 68.868 -0.059 0.000 0.959 393 T HN 0.475 nan 8.240 nan 0.000 0.525 394 L N -0.092 121.098 121.223 -0.054 0.000 2.808 394 L HA 0.508 4.848 4.340 -0.000 0.000 0.246 394 L C 2.627 179.482 176.870 -0.025 0.000 1.153 394 L CA 0.016 54.833 54.840 -0.038 0.000 0.956 394 L CB -0.221 41.814 42.059 -0.040 0.000 1.270 394 L HN 0.264 nan 8.230 nan 0.000 0.528 395 A N 0.867 123.677 122.820 -0.016 0.000 1.903 395 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 395 A C 1.553 179.140 177.584 0.004 0.000 1.191 395 A CA 1.776 53.815 52.037 0.003 0.000 0.638 395 A CB -0.364 18.653 19.000 0.029 0.000 0.823 395 A HN 0.523 nan 8.150 nan 0.000 0.451 396 N N -0.199 118.501 118.700 0.000 0.000 2.380 396 N HA 0.157 4.897 4.740 -0.000 0.000 0.255 396 N C -0.500 175.003 175.510 -0.011 0.000 1.158 396 N CA 0.045 53.093 53.050 -0.003 0.000 0.878 396 N CB 0.531 39.018 38.487 -0.001 0.000 1.138 396 N HN 0.425 nan 8.380 nan 0.000 0.509 397 R N 0.017 120.508 120.500 -0.015 0.000 2.686 397 R HA 0.408 4.748 4.340 -0.000 0.000 0.286 397 R C 0.500 176.787 176.300 -0.022 0.000 0.969 397 R CA -0.603 55.485 56.100 -0.021 0.000 0.898 397 R CB 1.751 32.037 30.300 -0.024 0.000 1.183 397 R HN 0.041 nan 8.270 nan 0.000 0.456 398 M N 0.591 120.176 119.600 -0.026 0.000 2.818 398 M HA -0.277 4.203 4.480 -0.000 0.000 0.194 398 M C -0.429 175.857 176.300 -0.023 0.000 0.586 398 M CA 1.079 56.362 55.300 -0.029 0.000 0.664 398 M CB -1.128 31.451 32.600 -0.035 0.000 2.418 398 M HN 0.548 nan 8.290 nan 0.000 0.517 399 R N 0.456 120.946 120.500 -0.017 0.000 2.590 399 R HA 0.305 4.645 4.340 -0.000 0.000 0.274 399 R C 1.392 177.685 176.300 -0.011 0.000 1.061 399 R CA 0.976 57.069 56.100 -0.012 0.000 1.081 399 R CB 0.250 30.545 30.300 -0.007 0.000 0.984 399 R HN 0.508 nan 8.270 nan 0.000 0.448 400 G N 1.371 110.166 108.800 -0.008 0.000 2.179 400 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 400 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 400 G C 0.133 175.029 174.900 -0.008 0.000 1.010 400 G CA 0.728 45.825 45.100 -0.006 0.000 0.736 400 G HN 0.755 nan 8.290 nan 0.000 0.513 401 T N -4.550 109.997 114.554 -0.012 0.000 2.910 401 T HA 0.808 5.158 4.350 -0.000 0.000 0.287 401 T C 1.474 176.168 174.700 -0.011 0.000 1.050 401 T CA 0.260 62.352 62.100 -0.014 0.000 1.011 401 T CB 1.664 70.517 68.868 -0.024 0.000 1.195 401 T HN 1.370 nan 8.240 nan 0.000 0.540 402 A N 0.131 122.949 122.820 -0.003 0.000 2.131 402 A HA 0.256 4.576 4.320 -0.000 0.000 0.220 402 A C 2.268 179.829 177.584 -0.038 0.000 1.158 402 A CA 1.651 53.697 52.037 0.015 0.000 0.665 402 A CB -1.311 17.716 19.000 0.044 0.000 0.795 402 A HN 1.256 nan 8.150 nan 0.000 0.460 403 A N -0.743 122.043 122.820 -0.057 0.000 2.195 403 A HA 0.164 4.484 4.320 -0.000 0.000 0.210 403 A C 0.957 178.494 177.584 -0.080 0.000 1.165 403 A CA 0.262 52.245 52.037 -0.089 0.000 0.806 403 A CB -0.210 18.745 19.000 -0.076 0.000 0.847 403 A HN 0.574 nan 8.150 nan 0.000 0.482 404 E N 0.083 120.251 120.200 -0.054 0.000 2.351 404 E HA 0.313 4.663 4.350 -0.000 0.000 0.266 404 E C 1.164 177.738 176.600 -0.043 0.000 1.031 404 E CA 0.544 56.921 56.400 -0.038 0.000 0.911 404 E CB -0.088 29.599 29.700 -0.020 0.000 0.986 404 E HN 0.632 nan 8.360 nan 0.000 0.446 405 G N 2.801 111.580 108.800 -0.036 0.000 2.184 405 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.264 405 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.264 405 G C 0.669 175.539 174.900 -0.050 0.000 0.975 405 G CA 0.424 45.506 45.100 -0.029 0.000 0.642 405 G HN 0.475 nan 8.290 nan 0.000 0.536 406 V N -0.138 119.717 119.914 -0.097 0.000 2.602 406 V HA 0.205 4.325 4.120 -0.000 0.000 0.235 406 V C 1.834 177.887 176.094 -0.068 0.000 1.087 406 V CA 0.910 63.111 62.300 -0.165 0.000 1.117 406 V CB 0.095 31.645 31.823 -0.454 0.000 0.820 406 V HN 0.211 nan 8.190 nan 0.000 0.490 407 V N 2.487 122.376 119.914 -0.042 0.000 2.485 407 V HA 0.061 4.181 4.120 -0.000 0.000 0.287 407 V C 0.002 176.145 176.094 0.081 0.000 1.022 407 V CA 0.275 62.612 62.300 0.061 0.000 1.067 407 V CB 0.017 31.875 31.823 0.058 0.000 0.967 407 V HN 0.558 nan 8.190 nan 0.000 0.479 408 E N 4.172 124.455 120.200 0.138 0.000 2.113 408 E HA 0.743 5.093 4.350 -0.000 0.000 0.273 408 E C -0.350 176.287 176.600 0.062 0.000 0.924 408 E CA -0.410 56.044 56.400 0.091 0.000 0.764 408 E CB 1.853 31.631 29.700 0.129 0.000 1.104 408 E HN 0.798 nan 8.360 nan 0.000 0.406 409 A N 3.036 125.841 122.820 -0.025 0.000 2.540 409 A HA 0.485 4.805 4.320 -0.000 0.000 0.297 409 A C -1.269 176.226 177.584 -0.149 0.000 1.056 409 A CA -0.907 51.067 52.037 -0.105 0.000 0.700 409 A CB 1.477 20.503 19.000 0.043 0.000 1.280 409 A HN 0.404 nan 8.150 nan 0.000 0.398 410 K N 1.397 121.669 120.400 -0.214 0.000 2.201 410 K HA 0.583 4.902 4.320 -0.000 0.000 0.278 410 K C 0.432 176.947 176.600 -0.140 0.000 1.027 410 K CA 0.317 56.481 56.287 -0.205 0.000 0.909 410 K CB 0.674 33.021 32.500 -0.255 0.000 1.062 410 K HN 0.839 nan 8.250 nan 0.000 0.465 411 T N 0.302 114.787 114.554 -0.116 0.000 2.899 411 T HA 0.660 5.010 4.350 -0.000 0.000 0.284 411 T C 0.373 175.031 174.700 -0.071 0.000 1.004 411 T CA -0.825 61.228 62.100 -0.078 0.000 1.043 411 T CB 1.525 70.349 68.868 -0.073 0.000 1.013 411 T HN 0.539 nan 8.240 nan 0.000 0.518 412 G N 0.592 109.363 108.800 -0.049 0.000 2.666 412 G HA2 0.576 4.536 3.960 -0.000 0.000 0.303 412 G HA3 0.576 4.536 3.960 -0.000 0.000 0.303 412 G C -1.023 173.850 174.900 -0.044 0.000 1.412 412 G CA -0.785 44.291 45.100 -0.041 0.000 0.979 412 G HN 0.842 nan 8.290 nan 0.000 0.507 413 T N 2.246 116.757 114.554 -0.071 0.000 2.937 413 T HA 0.714 5.064 4.350 -0.000 0.000 0.297 413 T C -0.199 174.420 174.700 -0.134 0.000 0.991 413 T CA -0.348 61.699 62.100 -0.088 0.000 0.990 413 T CB 1.430 70.234 68.868 -0.106 0.000 0.991 413 T HN 0.552 nan 8.240 nan 0.000 0.440 414 M N 0.943 120.472 119.600 -0.118 0.000 2.949 414 M HA 0.414 4.894 4.480 -0.000 0.000 0.270 414 M C -0.429 175.785 176.300 -0.143 0.000 1.221 414 M CA -0.866 54.328 55.300 -0.178 0.000 0.818 414 M CB 2.248 34.730 32.600 -0.196 0.000 1.635 414 M HN 0.522 nan 8.290 nan 0.000 0.492 415 S N 0.380 115.966 115.700 -0.191 0.000 2.506 415 S HA 0.364 4.834 4.470 -0.000 0.000 0.291 415 S C 0.942 175.437 174.600 -0.175 0.000 1.230 415 S CA 1.373 59.479 58.200 -0.157 0.000 1.107 415 S CB -0.582 62.516 63.200 -0.170 0.000 0.942 415 S HN 1.124 nan 8.310 nan 0.000 0.502 416 G N 3.065 111.733 108.800 -0.221 0.000 2.179 416 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.257 416 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.257 416 G C -0.072 174.520 174.900 -0.513 0.000 1.010 416 G CA 0.248 45.032 45.100 -0.526 0.000 0.736 416 G HN 1.178 nan 8.290 nan 0.000 0.513 417 V N -0.386 119.423 119.914 -0.174 0.000 2.668 417 V HA 0.808 4.928 4.120 -0.000 0.000 0.304 417 V C -0.133 176.053 176.094 0.153 0.000 1.071 417 V CA -0.059 62.251 62.300 0.016 0.000 0.894 417 V CB 2.013 33.810 31.823 -0.044 0.000 1.008 417 V HN 0.632 nan 8.190 nan 0.000 0.425 418 S N 2.790 118.623 115.700 0.223 0.000 2.540 418 S HA 0.946 5.415 4.470 -0.000 0.000 0.275 418 S C -0.923 173.703 174.600 0.043 0.000 1.123 418 S CA 0.221 58.470 58.200 0.081 0.000 0.907 418 S CB 1.855 65.046 63.200 -0.015 0.000 1.081 418 S HN 1.447 nan 8.310 nan 0.000 0.476 419 A N 2.543 125.369 122.820 0.011 0.000 2.574 419 A HA 0.846 5.166 4.320 -0.000 0.000 0.297 419 A C -2.039 175.546 177.584 0.002 0.000 1.062 419 A CA -0.521 51.524 52.037 0.013 0.000 0.686 419 A CB 1.647 20.657 19.000 0.015 0.000 1.285 419 A HN 0.923 nan 8.150 nan 0.000 0.403 420 L N 1.153 122.392 121.223 0.027 0.000 2.482 420 L HA 0.775 5.115 4.340 -0.000 0.000 0.269 420 L C -0.857 176.018 176.870 0.009 0.000 0.967 420 L CA 0.356 55.226 54.840 0.051 0.000 0.851 420 L CB 2.061 44.200 42.059 0.135 0.000 1.242 420 L HN 0.651 nan 8.230 nan 0.000 0.404 421 S N 2.610 118.177 115.700 -0.222 0.000 2.548 421 S HA 0.994 5.464 4.470 -0.000 0.000 0.276 421 S C -0.200 173.927 174.600 -0.788 0.000 1.129 421 S CA -0.040 57.820 58.200 -0.566 0.000 0.931 421 S CB 1.832 64.842 63.200 -0.317 0.000 1.068 421 S HN 1.148 nan 8.310 nan 0.000 0.480 422 G N 1.582 109.583 108.800 -1.332 0.000 2.512 422 G HA2 0.357 4.317 3.960 -0.000 0.000 0.181 422 G HA3 0.357 4.317 3.960 -0.000 0.000 0.181 422 G C -2.400 171.931 174.900 -0.947 0.000 1.173 422 G CA -0.551 43.952 45.100 -0.996 0.000 0.988 422 G HN 0.492 nan 8.290 nan 0.000 0.485 423 Y N -0.636 119.630 120.300 -0.056 0.000 2.429 423 Y HA 0.622 5.172 4.550 -0.000 0.000 0.342 423 Y C 0.087 176.177 175.900 0.316 0.000 1.004 423 Y CA -0.879 57.316 58.100 0.158 0.000 1.075 423 Y CB 2.667 41.194 38.460 0.111 0.000 1.214 423 Y HN 0.281 nan 8.280 nan 0.000 0.455 424 V N 5.078 125.268 119.914 0.459 0.000 2.257 424 V HA 0.306 4.426 4.120 -0.000 0.000 0.269 424 V C -2.266 173.983 176.094 0.258 0.000 1.040 424 V CA -1.845 60.628 62.300 0.288 0.000 0.813 424 V CB 0.269 32.216 31.823 0.207 0.000 1.065 424 V HN 0.548 nan 8.190 nan 0.000 0.457 425 P HA 0.606 nan 4.420 nan 0.000 0.276 425 P C 0.097 177.560 177.300 0.271 0.000 1.252 425 P CA 0.178 63.386 63.100 0.181 0.000 0.802 425 P CB 2.022 33.787 31.700 0.110 0.000 1.035 426 G N -0.159 108.762 108.800 0.200 0.000 2.451 426 G HA2 0.348 4.308 3.960 -0.000 0.000 0.292 426 G HA3 0.348 4.308 3.960 -0.000 0.000 0.292 426 G C -2.520 172.411 174.900 0.051 0.000 1.427 426 G CA -0.735 44.467 45.100 0.169 0.000 0.792 426 G HN 0.198 nan 8.290 nan 0.000 0.498 427 P HA -0.041 nan 4.420 nan 0.000 0.220 427 P C 1.196 178.482 177.300 -0.023 0.000 1.148 427 P CA 1.131 64.219 63.100 -0.021 0.000 0.803 427 P CB 0.303 31.974 31.700 -0.049 0.000 0.782 428 E N -0.073 120.104 120.200 -0.037 0.000 2.007 428 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 428 E C 1.677 178.279 176.600 0.004 0.000 0.999 428 E CA 1.842 58.224 56.400 -0.031 0.000 0.811 428 E CB -0.616 29.051 29.700 -0.055 0.000 0.762 428 E HN 0.374 nan 8.360 nan 0.000 0.450 429 G N -0.229 108.590 108.800 0.031 0.000 2.947 429 G HA2 0.233 4.193 3.960 -0.000 0.000 0.115 429 G HA3 0.233 4.193 3.960 -0.000 0.000 0.115 429 G C -1.309 173.639 174.900 0.079 0.000 1.214 429 G CA -0.267 44.863 45.100 0.049 0.000 1.324 429 G HN 0.095 nan 8.290 nan 0.000 0.645 430 E N -0.426 119.839 120.200 0.109 0.000 2.354 430 E HA 0.532 4.882 4.350 -0.000 0.000 0.283 430 E C -1.417 175.305 176.600 0.204 0.000 0.938 430 E CA -0.538 55.956 56.400 0.156 0.000 0.777 430 E CB 2.011 31.787 29.700 0.126 0.000 1.222 430 E HN 0.371 nan 8.360 nan 0.000 0.423 431 L N 1.943 123.320 121.223 0.257 0.000 2.344 431 L HA 0.876 5.216 4.340 -0.000 0.000 0.272 431 L C -0.328 176.736 176.870 0.323 0.000 1.035 431 L CA -0.914 54.087 54.840 0.269 0.000 0.807 431 L CB 1.754 43.971 42.059 0.262 0.000 1.237 431 L HN 0.614 nan 8.230 nan 0.000 0.442 432 A N 2.451 125.419 122.820 0.246 0.000 2.374 432 A HA 0.812 5.132 4.320 -0.000 0.000 0.305 432 A C -1.113 176.557 177.584 0.142 0.000 1.053 432 A CA -0.368 51.733 52.037 0.108 0.000 0.726 432 A CB 1.138 20.159 19.000 0.036 0.000 1.229 432 A HN 0.584 nan 8.150 nan 0.000 0.431 433 F N 0.236 120.145 119.950 -0.068 0.000 2.613 433 F HA 0.886 5.413 4.527 -0.000 0.000 0.314 433 F C -0.364 175.402 175.800 -0.056 0.000 1.075 433 F CA -0.929 57.047 58.000 -0.041 0.000 0.945 433 F CB 1.828 40.807 39.000 -0.034 0.000 1.310 433 F HN 0.463 nan 8.300 nan 0.000 0.467 434 S N 2.258 118.007 115.700 0.082 0.000 2.619 434 S HA 0.762 5.231 4.470 -0.000 0.000 0.280 434 S C -1.447 173.233 174.600 0.132 0.000 1.150 434 S CA -0.506 57.704 58.200 0.016 0.000 0.978 434 S CB 0.929 64.123 63.200 -0.010 0.000 1.041 434 S HN 0.652 nan 8.310 nan 0.000 0.485 435 I N 4.662 125.310 120.570 0.129 0.000 2.448 435 I HA 0.450 4.620 4.170 -0.000 0.000 0.281 435 I C -1.031 175.127 176.117 0.068 0.000 1.027 435 I CA -0.660 60.705 61.300 0.108 0.000 1.111 435 I CB 1.899 39.968 38.000 0.115 0.000 1.236 435 I HN 0.304 nan 8.210 nan 0.000 0.452 436 V N 5.931 125.884 119.914 0.065 0.000 2.407 436 V HA 0.464 4.583 4.120 -0.000 0.000 0.291 436 V C -0.422 175.714 176.094 0.070 0.000 1.018 436 V CA -0.734 61.603 62.300 0.061 0.000 0.842 436 V CB 1.606 33.466 31.823 0.062 0.000 0.996 436 V HN 0.622 nan 8.190 nan 0.000 0.426 437 N N 4.190 122.941 118.700 0.085 0.000 2.362 437 N HA 0.518 5.258 4.740 -0.000 0.000 0.298 437 N C -0.979 174.664 175.510 0.223 0.000 1.048 437 N CA -0.455 52.679 53.050 0.139 0.000 0.858 437 N CB 2.290 40.817 38.487 0.067 0.000 1.218 437 N HN 0.689 nan 8.380 nan 0.000 0.488 438 N N -0.575 118.231 118.700 0.176 0.000 2.242 438 N HA 0.382 5.122 4.740 -0.000 0.000 0.292 438 N C 0.361 175.855 175.510 -0.026 0.000 1.125 438 N CA -0.429 52.643 53.050 0.036 0.000 0.783 438 N CB 2.479 40.976 38.487 0.017 0.000 1.558 438 N HN 0.663 nan 8.380 nan 0.000 0.472 439 G N 0.978 109.652 108.800 -0.210 0.000 2.184 439 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.264 439 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.264 439 G C 0.048 174.873 174.900 -0.126 0.000 0.975 439 G CA 0.440 45.452 45.100 -0.148 0.000 0.642 439 G HN 0.877 nan 8.290 nan 0.000 0.536 440 H N 0.273 119.341 119.070 -0.004 0.000 2.972 440 H HA 0.462 5.018 4.556 -0.000 0.000 0.343 440 H C 1.138 176.462 175.328 -0.008 0.000 1.054 440 H CA 0.645 56.689 56.048 -0.006 0.000 1.412 440 H CB 0.906 30.662 29.762 -0.010 0.000 1.385 440 H HN 0.537 nan 8.280 nan 0.000 0.600 441 S N 1.068 116.818 115.700 0.082 0.000 2.578 441 S HA 0.307 4.777 4.470 -0.000 0.000 0.231 441 S C 0.893 175.522 174.600 0.048 0.000 0.994 441 S CA -0.126 58.092 58.200 0.030 0.000 0.956 441 S CB 0.530 63.739 63.200 0.016 0.000 0.870 441 S HN 0.872 nan 8.310 nan 0.000 0.494 442 G N 2.165 111.016 108.800 0.083 0.000 3.175 442 G HA2 0.653 4.613 3.960 -0.000 0.000 0.153 442 G HA3 0.653 4.613 3.960 -0.000 0.000 0.153 442 G C -2.625 172.317 174.900 0.070 0.000 1.216 442 G CA -1.192 43.942 45.100 0.056 0.000 0.943 442 G HN 0.362 nan 8.290 nan 0.000 0.611 443 P HA 0.394 nan 4.420 nan 0.000 0.269 443 P C -0.098 177.199 177.300 -0.005 0.000 1.215 443 P CA -0.008 63.099 63.100 0.011 0.000 0.780 443 P CB 0.684 32.375 31.700 -0.015 0.000 0.898 444 A N 3.995 126.800 122.820 -0.025 0.000 2.565 444 A HA 0.180 4.500 4.320 -0.000 0.000 0.237 444 A C -1.512 175.954 177.584 -0.195 0.000 1.053 444 A CA -0.763 51.197 52.037 -0.127 0.000 0.755 444 A CB -1.094 17.863 19.000 -0.070 0.000 0.980 444 A HN 0.447 nan 8.150 nan 0.000 0.506 445 P HA 0.109 nan 4.420 nan 0.000 0.225 445 P C 0.650 177.860 177.300 -0.149 0.000 1.768 445 P CA 0.051 63.016 63.100 -0.225 0.000 0.943 445 P CB -0.090 31.442 31.700 -0.279 0.000 1.936 446 L N 0.196 121.352 121.223 -0.113 0.000 2.093 446 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 446 L C 2.525 179.353 176.870 -0.070 0.000 1.085 446 L CA 1.471 56.263 54.840 -0.080 0.000 0.755 446 L CB -0.997 41.023 42.059 -0.064 0.000 0.904 446 L HN 0.117 nan 8.230 nan 0.000 0.435 447 A N -0.081 122.698 122.820 -0.069 0.000 1.902 447 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 447 A C 2.372 179.914 177.584 -0.068 0.000 1.181 447 A CA 1.628 53.628 52.037 -0.061 0.000 0.623 447 A CB -0.782 18.186 19.000 -0.053 0.000 0.818 447 A HN 0.179 nan 8.150 nan 0.000 0.443 448 V N -0.113 119.755 119.914 -0.077 0.000 2.407 448 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 448 V C 2.652 178.694 176.094 -0.087 0.000 1.055 448 V CA 2.344 64.596 62.300 -0.080 0.000 1.049 448 V CB -0.725 31.049 31.823 -0.081 0.000 0.662 448 V HN 0.670 nan 8.190 nan 0.000 0.455 449 Q N -0.757 118.996 119.800 -0.079 0.000 2.020 449 Q HA -0.175 4.165 4.340 -0.000 0.000 0.198 449 Q C 2.093 178.042 176.000 -0.085 0.000 0.974 449 Q CA 1.614 57.377 55.803 -0.068 0.000 0.829 449 Q CB -0.244 28.471 28.738 -0.038 0.000 0.894 449 Q HN 0.575 nan 8.270 nan 0.000 0.433 450 D N 0.900 121.256 120.400 -0.073 0.000 2.133 450 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 450 D C 1.746 177.989 176.300 -0.095 0.000 0.997 450 D CA 1.537 55.492 54.000 -0.075 0.000 0.840 450 D CB -0.250 40.515 40.800 -0.058 0.000 0.947 450 D HN 0.285 nan 8.370 nan 0.000 0.452 451 A N 0.334 123.099 122.820 -0.092 0.000 1.969 451 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 451 A C 2.364 179.870 177.584 -0.130 0.000 1.169 451 A CA 0.713 52.693 52.037 -0.096 0.000 0.635 451 A CB -0.511 18.440 19.000 -0.081 0.000 0.810 451 A HN 0.199 nan 8.150 nan 0.000 0.445 452 I N -0.567 119.905 120.570 -0.163 0.000 2.333 452 I HA -0.180 3.990 4.170 -0.000 0.000 0.246 452 I C 2.952 178.889 176.117 -0.300 0.000 1.106 452 I CA 0.889 62.052 61.300 -0.227 0.000 1.411 452 I CB -0.357 37.501 38.000 -0.236 0.000 1.082 452 I HN 0.331 nan 8.210 nan 0.000 0.420 453 A N 0.564 123.185 122.820 -0.331 0.000 1.902 453 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 453 A C 2.440 179.874 177.584 -0.250 0.000 1.181 453 A CA 1.663 53.444 52.037 -0.427 0.000 0.623 453 A CB -0.907 17.902 19.000 -0.320 0.000 0.818 453 A HN 0.232 nan 8.150 nan 0.000 0.443 454 V N -0.119 119.699 119.914 -0.159 0.000 2.270 454 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 454 V C 2.668 178.720 176.094 -0.070 0.000 1.043 454 V CA 2.330 64.574 62.300 -0.095 0.000 1.014 454 V CB -0.743 31.038 31.823 -0.070 0.000 0.645 454 V HN 0.625 nan 8.190 nan 0.000 0.447 455 R N 0.214 120.662 120.500 -0.087 0.000 2.127 455 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 455 R C 1.992 178.277 176.300 -0.025 0.000 1.134 455 R CA 1.686 57.752 56.100 -0.056 0.000 0.975 455 R CB -0.735 29.512 30.300 -0.089 0.000 0.865 455 R HN 0.508 nan 8.270 nan 0.000 0.447 456 L N -0.689 120.480 121.223 -0.090 0.000 2.109 456 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 456 L C 2.413 179.331 176.870 0.080 0.000 1.086 456 L CA 1.180 55.993 54.840 -0.044 0.000 0.760 456 L CB -0.582 41.351 42.059 -0.209 0.000 0.910 456 L HN 0.293 nan 8.230 nan 0.000 0.437 457 A N -0.102 122.734 122.820 0.026 0.000 1.930 457 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 457 A C 2.143 179.838 177.584 0.186 0.000 1.175 457 A CA 1.492 53.594 52.037 0.108 0.000 0.627 457 A CB -0.341 18.649 19.000 -0.016 0.000 0.815 457 A HN 0.435 nan 8.150 nan 0.000 0.443 458 E N -1.859 118.407 120.200 0.111 0.000 2.152 458 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 458 E C 1.749 178.409 176.600 0.099 0.000 0.983 458 E CA 1.150 57.605 56.400 0.092 0.000 0.818 458 E CB -0.240 29.493 29.700 0.056 0.000 0.758 458 E HN 0.817 nan 8.360 nan 0.000 0.467 459 Y N 0.850 121.158 120.300 0.013 0.000 2.293 459 Y HA -0.081 4.469 4.550 -0.000 0.000 0.291 459 Y C 1.990 177.902 175.900 0.020 0.000 1.137 459 Y CA 1.200 59.306 58.100 0.010 0.000 1.202 459 Y CB -0.048 38.414 38.460 0.004 0.000 0.990 459 Y HN -0.042 nan 8.280 nan 0.000 0.537 460 A N -0.222 122.625 122.820 0.044 0.000 2.235 460 A HA 0.311 4.631 4.320 -0.000 0.000 0.208 460 A C 1.734 179.209 177.584 -0.181 0.000 1.172 460 A CA 0.807 52.822 52.037 -0.037 0.000 0.786 460 A CB -1.287 17.831 19.000 0.196 0.000 0.804 460 A HN 0.967 nan 8.150 nan 0.000 0.479 461 G N -0.698 108.015 108.800 -0.145 0.000 2.165 461 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.226 461 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.226 461 G C -0.195 174.570 174.900 -0.225 0.000 1.035 461 G CA 0.067 45.058 45.100 -0.182 0.000 0.744 461 G HN 0.673 nan 8.290 nan 0.000 0.501 462 H N 0.443 119.503 119.070 -0.017 0.000 2.473 462 H HA 0.394 4.950 4.556 -0.000 0.000 0.327 462 H C 0.772 176.095 175.328 -0.008 0.000 1.105 462 H CA 0.227 56.270 56.048 -0.008 0.000 1.280 462 H CB 1.262 31.025 29.762 0.002 0.000 1.450 462 H HN 0.716 nan 8.280 nan 0.000 0.492 463 Q N 1.223 121.087 119.800 0.107 0.000 2.230 463 Q HA 0.618 4.958 4.340 -0.000 0.000 0.253 463 Q C -0.718 175.315 176.000 0.055 0.000 0.919 463 Q CA -1.258 54.580 55.803 0.058 0.000 0.908 463 Q CB 1.626 30.381 28.738 0.029 0.000 1.245 463 Q HN 0.598 nan 8.270 nan 0.000 0.437 464 A N 4.099 126.939 122.820 0.033 0.000 2.524 464 A HA 0.311 4.631 4.320 -0.000 0.000 0.250 464 A C -2.068 175.526 177.584 0.017 0.000 1.078 464 A CA -1.137 50.912 52.037 0.019 0.000 0.761 464 A CB -0.449 18.556 19.000 0.009 0.000 1.012 464 A HN 0.653 nan 8.150 nan 0.000 0.500 465 P HA 0.348 nan 4.420 nan 0.000 0.280 465 P C -0.879 176.426 177.300 0.008 0.000 1.386 465 P CA -0.299 62.809 63.100 0.014 0.000 0.899 465 P CB 0.634 32.342 31.700 0.014 0.000 1.098 466 E N 1.870 122.074 120.200 0.008 0.000 2.319 466 E HA 0.766 5.116 4.350 -0.000 0.000 0.268 466 E C 0.533 177.136 176.600 0.005 0.000 1.050 466 E CA -0.929 55.474 56.400 0.005 0.000 0.878 466 E CB 0.711 30.413 29.700 0.004 0.000 1.066 466 E HN 0.490 nan 8.360 nan 0.000 0.406 467 G N 0.000 108.803 108.800 0.005 0.000 5.446 467 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 467 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 467 G CA 0.000 nan 45.100 nan 0.000 0.502 467 G HN 0.000 nan 8.290 nan 0.000 0.925