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 3jv7_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKAVQYTEIG SEPVVVDIPT PTPGPGEILL KVTAAGLCHS DIFVMDMPAA DATA SEQUENCE QYAYGLPLTL GHEGVGTVAE LGEGVTGFGV GDAVAVYGPW GCGACHACAR DATA SEQUENCE GRENYCTRAA DLGITPPGLG SPGSMAEYMI VDSARHLVPI GDLDPVAAAP DATA SEQUENCE LTDAGLTPYH AISRVLPLLG PGSTAVVIGV GGLGHVGIQI LRAVSAARVI DATA SEQUENCE AVDLDDDRLA LAREVGADAA VKSGAGAADA IRELTGGQGA TAVFDFVGAQ DATA SEQUENCE STIDTAQQVV AVDGHISVVG IHAGAHAKVG FFMIPFGASV VTPYWGTRSE DATA SEQUENCE LMEVVALARA GRLDIHTETF TLDEGPAAYR RLREGSIRGR GVVVP 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.351 176.300 0.085 0.000 1.140 1 M CA 0.000 55.367 55.300 0.111 0.000 0.988 1 M CB 0.000 32.714 32.600 0.189 0.000 1.302 2 K N 1.407 121.855 120.400 0.080 0.000 2.218 2 K HA 0.842 5.162 4.320 -0.000 0.000 0.276 2 K C -1.141 175.496 176.600 0.062 0.000 1.022 2 K CA 0.120 56.443 56.287 0.059 0.000 0.946 2 K CB 1.303 33.831 32.500 0.046 0.000 1.000 2 K HN 0.819 nan 8.250 nan 0.000 0.468 3 A N 2.708 125.562 122.820 0.056 0.000 2.594 3 A HA 0.545 4.865 4.320 -0.000 0.000 0.291 3 A C -1.612 176.007 177.584 0.057 0.000 1.105 3 A CA -0.779 51.294 52.037 0.059 0.000 0.694 3 A CB 1.786 20.826 19.000 0.067 0.000 1.291 3 A HN 0.419 nan 8.150 nan 0.000 0.410 4 V N 1.614 121.568 119.914 0.066 0.000 2.384 4 V HA 0.497 4.617 4.120 -0.000 0.000 0.287 4 V C -0.294 175.847 176.094 0.079 0.000 1.020 4 V CA -0.218 62.127 62.300 0.074 0.000 0.850 4 V CB 1.124 33.005 31.823 0.098 0.000 0.987 4 V HN 0.876 nan 8.190 nan 0.000 0.436 5 Q N 2.728 122.570 119.800 0.070 0.000 2.394 5 Q HA 0.451 4.791 4.340 -0.000 0.000 0.273 5 Q C -1.436 174.627 176.000 0.106 0.000 1.089 5 Q CA -0.780 55.072 55.803 0.081 0.000 0.812 5 Q CB 3.332 32.106 28.738 0.061 0.000 1.353 5 Q HN 0.808 nan 8.270 nan 0.000 0.438 6 Y N 1.523 121.797 120.300 -0.042 0.000 2.365 6 Y HA 0.103 4.653 4.550 -0.000 0.000 0.340 6 Y C 0.822 176.685 175.900 -0.062 0.000 1.016 6 Y CA 0.294 58.341 58.100 -0.089 0.000 1.196 6 Y CB 0.824 39.215 38.460 -0.114 0.000 1.167 6 Y HN 0.802 nan 8.280 nan 0.000 0.509 7 T N 0.390 114.774 114.554 -0.283 0.000 2.955 7 T HA 0.234 4.584 4.350 -0.000 0.000 0.251 7 T C 0.016 174.489 174.700 -0.379 0.000 1.002 7 T CA -0.200 61.744 62.100 -0.261 0.000 0.970 7 T CB 0.285 69.084 68.868 -0.115 0.000 1.091 7 T HN 0.623 nan 8.240 nan 0.000 0.495 8 E N 0.837 120.708 120.200 -0.549 0.000 2.304 8 E HA 0.409 4.759 4.350 -0.000 0.000 0.277 8 E C -0.995 175.297 176.600 -0.513 0.000 0.898 8 E CA -0.979 55.171 56.400 -0.416 0.000 0.764 8 E CB 1.582 31.157 29.700 -0.208 0.000 1.216 8 E HN 0.077 nan 8.360 nan 0.000 0.419 9 I N 3.448 123.776 120.570 -0.404 0.000 2.821 9 I HA 0.011 4.181 4.170 -0.000 0.000 0.294 9 I C 1.545 177.607 176.117 -0.092 0.000 1.210 9 I CA 1.984 63.135 61.300 -0.248 0.000 1.430 9 I CB -0.277 37.629 38.000 -0.157 0.000 1.356 9 I HN 1.010 nan 8.210 nan 0.000 0.563 10 G N 4.665 113.480 108.800 0.025 0.000 2.205 10 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.261 10 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.261 10 G C 0.465 175.374 174.900 0.014 0.000 0.980 10 G CA 0.340 45.441 45.100 0.002 0.000 0.632 10 G HN 0.586 nan 8.290 nan 0.000 0.533 11 S N 0.316 116.046 115.700 0.050 0.000 2.713 11 S HA 0.565 5.035 4.470 -0.000 0.000 0.283 11 S C 0.220 174.866 174.600 0.078 0.000 1.161 11 S CA -0.682 57.536 58.200 0.031 0.000 0.999 11 S CB 1.489 64.678 63.200 -0.020 0.000 1.039 11 S HN 0.446 nan 8.310 nan 0.000 0.548 12 E N 1.576 121.788 120.200 0.021 0.000 2.373 12 E HA 0.233 4.583 4.350 -0.000 0.000 0.263 12 E C -2.320 174.297 176.600 0.029 0.000 1.073 12 E CA -1.724 54.675 56.400 -0.002 0.000 0.894 12 E CB 0.003 29.694 29.700 -0.014 0.000 1.008 12 E HN 0.263 nan 8.360 nan 0.000 0.420 13 P HA -0.054 nan 4.420 nan 0.000 0.268 13 P C -0.911 176.407 177.300 0.029 0.000 1.208 13 P CA 0.014 63.124 63.100 0.017 0.000 0.777 13 P CB 0.439 32.099 31.700 -0.067 0.000 0.875 14 V N -0.759 119.176 119.914 0.036 0.000 2.962 14 V HA 0.494 4.614 4.120 -0.000 0.000 0.313 14 V C -0.406 175.708 176.094 0.034 0.000 1.099 14 V CA -1.132 61.185 62.300 0.028 0.000 0.971 14 V CB 1.957 33.789 31.823 0.014 0.000 1.028 14 V HN 0.177 nan 8.190 nan 0.000 0.430 15 V N 4.143 124.076 119.914 0.031 0.000 2.470 15 V HA 0.504 4.624 4.120 -0.000 0.000 0.276 15 V C 0.497 176.609 176.094 0.029 0.000 1.040 15 V CA 0.436 62.756 62.300 0.034 0.000 1.008 15 V CB 0.843 32.685 31.823 0.031 0.000 0.990 15 V HN 1.111 nan 8.190 nan 0.000 0.477 16 V N 1.701 121.635 119.914 0.033 0.000 3.046 16 V HA 0.692 4.811 4.120 -0.000 0.000 0.316 16 V C -0.638 175.477 176.094 0.034 0.000 1.104 16 V CA -0.869 61.449 62.300 0.030 0.000 1.006 16 V CB 2.316 34.156 31.823 0.029 0.000 1.058 16 V HN 0.782 nan 8.190 nan 0.000 0.440 17 D N 2.004 122.423 120.400 0.031 0.000 2.344 17 D HA 0.604 5.244 4.640 -0.000 0.000 0.239 17 D C -0.747 175.574 176.300 0.034 0.000 1.064 17 D CA -0.274 53.746 54.000 0.035 0.000 0.829 17 D CB 1.737 42.555 40.800 0.030 0.000 1.129 17 D HN 0.840 nan 8.370 nan 0.000 0.506 18 I N -0.274 120.321 120.570 0.042 0.000 3.074 18 I HA 0.574 4.744 4.170 -0.000 0.000 0.310 18 I C -2.875 173.265 176.117 0.039 0.000 1.153 18 I CA -2.868 58.455 61.300 0.039 0.000 0.993 18 I CB 2.013 40.039 38.000 0.043 0.000 1.237 18 I HN 0.019 nan 8.210 nan 0.000 0.443 19 P HA 0.105 nan 4.420 nan 0.000 0.268 19 P C -0.529 176.783 177.300 0.021 0.000 1.204 19 P CA 0.195 63.306 63.100 0.019 0.000 0.768 19 P CB 0.400 32.107 31.700 0.012 0.000 0.842 20 T N 5.946 120.499 114.554 -0.002 0.000 2.867 20 T HA 0.190 4.540 4.350 -0.000 0.000 0.297 20 T C -1.845 172.824 174.700 -0.052 0.000 0.989 20 T CA -0.432 61.642 62.100 -0.043 0.000 1.159 20 T CB -0.484 68.282 68.868 -0.169 0.000 0.928 20 T HN 0.341 nan 8.240 nan 0.000 0.538 21 P HA 0.398 nan 4.420 nan 0.000 0.276 21 P C -0.708 176.569 177.300 -0.039 0.000 1.244 21 P CA -0.593 62.501 63.100 -0.009 0.000 0.801 21 P CB 0.621 32.341 31.700 0.034 0.000 1.006 22 T N 1.986 116.527 114.554 -0.020 0.000 2.807 22 T HA 0.493 4.843 4.350 -0.000 0.000 0.279 22 T C -2.502 172.196 174.700 -0.004 0.000 0.993 22 T CA -1.249 60.837 62.100 -0.024 0.000 0.970 22 T CB 0.803 69.658 68.868 -0.023 0.000 0.950 22 T HN 0.297 nan 8.240 nan 0.000 0.441 23 P HA 0.372 nan 4.420 nan 0.000 0.281 23 P C 0.380 177.681 177.300 0.001 0.000 1.252 23 P CA -0.272 62.831 63.100 0.005 0.000 0.778 23 P CB 0.565 32.267 31.700 0.003 0.000 0.895 24 G N 3.859 112.661 108.800 0.003 0.000 2.563 24 G HA2 0.372 4.332 3.960 -0.000 0.000 0.283 24 G HA3 0.372 4.332 3.960 -0.000 0.000 0.283 24 G C -2.554 172.341 174.900 -0.009 0.000 1.309 24 G CA -1.604 43.495 45.100 -0.001 0.000 1.022 24 G HN 0.304 nan 8.290 nan 0.000 0.501 25 P HA 0.149 nan 4.420 nan 0.000 0.261 25 P C 0.945 178.229 177.300 -0.027 0.000 1.183 25 P CA 1.672 64.763 63.100 -0.016 0.000 0.761 25 P CB 0.799 32.491 31.700 -0.014 0.000 0.785 26 G N 2.201 110.982 108.800 -0.032 0.000 2.284 26 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.247 26 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.247 26 G C 0.144 175.006 174.900 -0.064 0.000 1.012 26 G CA -0.158 44.912 45.100 -0.051 0.000 0.618 26 G HN 0.553 nan 8.290 nan 0.000 0.521 27 E N -0.184 119.987 120.200 -0.048 0.000 2.345 27 E HA 0.627 4.977 4.350 -0.000 0.000 0.259 27 E C -0.412 176.169 176.600 -0.032 0.000 1.117 27 E CA -0.381 55.989 56.400 -0.049 0.000 0.913 27 E CB 1.210 30.898 29.700 -0.021 0.000 1.057 27 E HN 0.316 nan 8.360 nan 0.000 0.432 28 I N 1.641 122.192 120.570 -0.030 0.000 2.533 28 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 28 I C -1.075 175.050 176.117 0.015 0.000 1.056 28 I CA -0.701 60.588 61.300 -0.019 0.000 1.057 28 I CB 1.564 39.525 38.000 -0.064 0.000 1.240 28 I HN 0.274 nan 8.210 nan 0.000 0.423 29 L N 7.160 128.402 121.223 0.031 0.000 2.275 29 L HA 0.592 4.932 4.340 -0.000 0.000 0.288 29 L C -1.057 175.872 176.870 0.098 0.000 1.046 29 L CA 0.045 54.929 54.840 0.073 0.000 0.805 29 L CB 0.564 42.656 42.059 0.055 0.000 1.193 29 L HN 0.439 nan 8.230 nan 0.000 0.426 30 L N 4.648 125.947 121.223 0.126 0.000 2.325 30 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 30 L C -0.038 176.927 176.870 0.159 0.000 1.023 30 L CA -0.869 54.034 54.840 0.104 0.000 0.811 30 L CB 1.467 43.552 42.059 0.044 0.000 1.249 30 L HN 0.573 nan 8.230 nan 0.000 0.431 31 K N 2.211 122.654 120.400 0.072 0.000 2.316 31 K HA 0.320 4.640 4.320 -0.000 0.000 0.289 31 K C -0.821 175.679 176.600 -0.167 0.000 1.070 31 K CA -0.522 55.636 56.287 -0.214 0.000 0.928 31 K CB 1.048 33.424 32.500 -0.206 0.000 1.039 31 K HN 0.368 nan 8.250 nan 0.000 0.480 32 V N 4.815 124.606 119.914 -0.204 0.000 2.521 32 V HA -0.015 4.105 4.120 -0.000 0.000 0.286 32 V C 1.399 177.432 176.094 -0.102 0.000 1.034 32 V CA 0.282 62.520 62.300 -0.104 0.000 1.045 32 V CB 0.987 32.768 31.823 -0.070 0.000 0.974 32 V HN 1.067 nan 8.190 nan 0.000 0.480 33 T N 0.986 115.504 114.554 -0.060 0.000 3.015 33 T HA 0.562 4.912 4.350 -0.000 0.000 0.250 33 T C 0.404 175.085 174.700 -0.032 0.000 1.057 33 T CA 0.479 62.550 62.100 -0.048 0.000 1.066 33 T CB 0.507 69.355 68.868 -0.034 0.000 0.959 33 T HN 1.068 nan 8.240 nan 0.000 0.488 34 A N 0.282 123.087 122.820 -0.024 0.000 2.555 34 A HA 0.798 5.118 4.320 -0.000 0.000 0.297 34 A C -1.294 176.284 177.584 -0.010 0.000 1.060 34 A CA -0.541 51.488 52.037 -0.014 0.000 0.710 34 A CB 0.988 19.983 19.000 -0.009 0.000 1.282 34 A HN 0.896 nan 8.150 nan 0.000 0.399 35 A N 1.308 124.122 122.820 -0.010 0.000 2.357 35 A HA 0.786 5.105 4.320 -0.000 0.000 0.295 35 A C 0.246 177.807 177.584 -0.038 0.000 1.121 35 A CA 0.092 52.118 52.037 -0.018 0.000 0.742 35 A CB 0.977 19.971 19.000 -0.011 0.000 1.181 35 A HN 2.105 nan 8.150 nan 0.000 0.454 36 G N 1.141 109.906 108.800 -0.058 0.000 2.395 36 G HA2 0.524 4.484 3.960 -0.000 0.000 0.283 36 G HA3 0.524 4.484 3.960 -0.000 0.000 0.283 36 G C -0.555 174.254 174.900 -0.152 0.000 1.178 36 G CA -0.349 44.700 45.100 -0.085 0.000 0.837 36 G HN 0.543 nan 8.290 nan 0.000 0.518 37 L N 1.171 122.285 121.223 -0.182 0.000 2.326 37 L HA 0.435 4.775 4.340 -0.000 0.000 0.278 37 L C 0.478 177.265 176.870 -0.138 0.000 1.092 37 L CA -0.350 54.348 54.840 -0.237 0.000 0.810 37 L CB 1.359 43.120 42.059 -0.496 0.000 1.153 37 L HN 0.538 nan 8.230 nan 0.000 0.439 38 C N 1.655 120.908 119.300 -0.078 0.000 2.561 38 C HA 0.356 4.816 4.460 -0.000 0.000 0.319 38 C C 1.839 176.905 174.990 0.127 0.000 1.198 38 C CA -0.511 58.505 59.018 -0.004 0.000 1.665 38 C CB 0.890 28.592 27.740 -0.065 0.000 2.258 38 C HN 1.004 nan 8.230 nan 0.000 0.493 39 H N 1.518 120.629 119.070 0.068 0.000 2.489 39 H HA -0.051 4.505 4.556 -0.000 0.000 0.293 39 H C 1.972 177.372 175.328 0.120 0.000 1.066 39 H CA 2.272 58.376 56.048 0.093 0.000 1.305 39 H CB 0.565 30.372 29.762 0.076 0.000 1.386 39 H HN 0.723 nan 8.280 nan 0.000 0.551 40 S N -0.006 115.843 115.700 0.248 0.000 2.419 40 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 40 S C 1.400 176.122 174.600 0.205 0.000 1.019 40 S CA 1.231 59.552 58.200 0.201 0.000 0.982 40 S CB -0.101 63.148 63.200 0.082 0.000 0.789 40 S HN 0.563 nan 8.310 nan 0.000 0.490 41 D N 1.396 121.909 120.400 0.188 0.000 2.144 41 D HA -0.025 4.615 4.640 -0.000 0.000 0.199 41 D C 1.743 177.979 176.300 -0.105 0.000 0.984 41 D CA 0.796 54.835 54.000 0.065 0.000 0.834 41 D CB -0.263 40.591 40.800 0.091 0.000 0.955 41 D HN 0.390 nan 8.370 nan 0.000 0.465 42 I N -0.031 120.483 120.570 -0.093 0.000 2.252 42 I HA -0.215 3.954 4.170 -0.000 0.000 0.245 42 I C 2.205 178.268 176.117 -0.091 0.000 1.102 42 I CA 0.503 61.691 61.300 -0.187 0.000 1.385 42 I CB -0.155 37.643 38.000 -0.336 0.000 1.064 42 I HN -0.111 nan 8.210 nan 0.000 0.414 43 F N 1.229 121.138 119.950 -0.069 0.000 2.102 43 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 43 F C 2.380 178.140 175.800 -0.067 0.000 1.105 43 F CA 1.661 59.638 58.000 -0.039 0.000 1.239 43 F CB -0.245 38.767 39.000 0.019 0.000 0.991 43 F HN -0.242 nan 8.300 nan 0.000 0.474 44 V N 0.737 120.753 119.914 0.170 0.000 2.255 44 V HA -0.382 3.738 4.120 -0.000 0.000 0.247 44 V C 2.386 178.376 176.094 -0.173 0.000 1.051 44 V CA 2.425 64.781 62.300 0.095 0.000 1.018 44 V CB -0.636 31.312 31.823 0.208 0.000 0.641 44 V HN 0.399 nan 8.190 nan 0.000 0.445 45 M N -0.468 118.882 119.600 -0.416 0.000 2.460 45 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 45 M C 1.271 177.328 176.300 -0.405 0.000 1.071 45 M CA 1.127 55.972 55.300 -0.758 0.000 1.096 45 M CB -0.350 31.691 32.600 -0.932 0.000 1.408 45 M HN 0.322 nan 8.290 nan 0.000 0.463 46 D N -0.000 120.201 120.400 -0.331 0.000 2.350 46 D HA 0.136 4.776 4.640 -0.000 0.000 0.213 46 D C 0.465 176.588 176.300 -0.296 0.000 1.031 46 D CA 0.355 54.179 54.000 -0.294 0.000 0.861 46 D CB 0.124 40.733 40.800 -0.318 0.000 0.926 46 D HN 0.305 nan 8.370 nan 0.000 0.520 47 M N 1.616 121.040 119.600 -0.293 0.000 2.250 47 M HA 0.109 4.589 4.480 -0.000 0.000 0.337 47 M C -2.029 174.211 176.300 -0.100 0.000 1.161 47 M CA -1.020 54.156 55.300 -0.207 0.000 1.088 47 M CB 0.144 32.703 32.600 -0.069 0.000 1.639 47 M HN -0.258 nan 8.290 nan 0.000 0.447 48 P HA 0.095 nan 4.420 nan 0.000 0.272 48 P C -0.065 177.237 177.300 0.004 0.000 1.230 48 P CA -0.126 62.949 63.100 -0.042 0.000 0.788 48 P CB 0.469 32.146 31.700 -0.039 0.000 0.949 49 A N 2.167 124.988 122.820 0.003 0.000 1.948 49 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 49 A C 2.064 179.674 177.584 0.044 0.000 1.177 49 A CA 2.256 54.312 52.037 0.030 0.000 0.636 49 A CB -1.702 17.299 19.000 0.002 0.000 0.815 49 A HN 0.573 nan 8.150 nan 0.000 0.449 50 A N -1.564 121.267 122.820 0.017 0.000 2.168 50 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 50 A C 2.008 179.596 177.584 0.006 0.000 1.152 50 A CA 1.541 53.584 52.037 0.010 0.000 0.716 50 A CB -0.277 18.724 19.000 0.001 0.000 0.794 50 A HN 0.696 nan 8.150 nan 0.000 0.465 51 Q N -2.285 117.522 119.800 0.012 0.000 2.423 51 Q HA 0.074 4.414 4.340 -0.000 0.000 0.231 51 Q C -0.158 175.824 176.000 -0.030 0.000 0.894 51 Q CA -0.400 55.397 55.803 -0.009 0.000 0.938 51 Q CB 0.168 28.899 28.738 -0.012 0.000 1.079 51 Q HN 0.551 nan 8.270 nan 0.000 0.552 52 Y N 0.671 120.907 120.300 -0.107 0.000 2.677 52 Y HA 0.209 4.759 4.550 -0.000 0.000 0.335 52 Y C 0.080 175.898 175.900 -0.137 0.000 1.162 52 Y CA 0.598 58.611 58.100 -0.144 0.000 1.483 52 Y CB 0.894 39.323 38.460 -0.051 0.000 1.209 52 Y HN 0.139 nan 8.280 nan 0.000 0.528 53 A N 5.531 127.827 122.820 -0.874 0.000 2.571 53 A HA 0.177 4.496 4.320 -0.000 0.000 0.274 53 A C 0.110 177.423 177.584 -0.452 0.000 1.196 53 A CA -0.222 51.494 52.037 -0.534 0.000 0.957 53 A CB -0.264 18.561 19.000 -0.291 0.000 1.150 53 A HN 0.757 nan 8.150 nan 0.000 0.539 54 Y N 0.177 119.894 120.300 -0.971 0.000 2.482 54 Y HA 0.399 4.949 4.550 -0.000 0.000 0.270 54 Y C 1.513 177.289 175.900 -0.206 0.000 1.152 54 Y CA -0.186 57.625 58.100 -0.482 0.000 1.292 54 Y CB -0.339 37.934 38.460 -0.311 0.000 1.070 54 Y HN 0.487 nan 8.280 nan 0.000 0.528 55 G N 0.539 109.315 108.800 -0.040 0.000 2.712 55 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.686 55 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.686 55 G C -1.328 173.751 174.900 0.299 0.000 1.321 55 G CA -0.784 44.409 45.100 0.156 0.000 0.813 55 G HN 0.123 nan 8.290 nan 0.000 0.599 56 L N 1.711 123.038 121.223 0.174 0.000 2.386 56 L HA 0.570 4.909 4.340 -0.000 0.000 0.271 56 L C -1.733 175.160 176.870 0.039 0.000 0.993 56 L CA -1.866 53.021 54.840 0.079 0.000 0.819 56 L CB 2.138 44.178 42.059 -0.032 0.000 1.294 56 L HN 0.592 nan 8.230 nan 0.000 0.414 57 P HA 0.455 nan 4.420 nan 0.000 0.276 57 P C -1.369 175.987 177.300 0.093 0.000 1.252 57 P CA -0.612 62.505 63.100 0.028 0.000 0.802 57 P CB 0.996 32.708 31.700 0.020 0.000 1.035 58 L N 0.324 121.627 121.223 0.133 0.000 2.372 58 L HA 0.379 4.719 4.340 -0.000 0.000 0.274 58 L C -0.575 176.378 176.870 0.139 0.000 0.988 58 L CA -0.111 54.832 54.840 0.172 0.000 0.833 58 L CB 1.427 43.668 42.059 0.302 0.000 1.236 58 L HN 0.294 nan 8.230 nan 0.000 0.410 59 T N 6.245 120.860 114.554 0.102 0.000 2.769 59 T HA 0.359 4.709 4.350 -0.000 0.000 0.293 59 T C 0.564 175.320 174.700 0.092 0.000 0.931 59 T CA 0.016 62.170 62.100 0.090 0.000 1.139 59 T CB -0.238 68.676 68.868 0.077 0.000 0.881 59 T HN 0.452 nan 8.240 nan 0.000 0.532 60 L N 2.249 123.532 121.223 0.099 0.000 2.476 60 L HA 0.573 4.913 4.340 -0.000 0.000 0.255 60 L C 1.106 178.038 176.870 0.105 0.000 1.218 60 L CA -0.234 54.670 54.840 0.106 0.000 0.819 60 L CB 0.294 42.406 42.059 0.087 0.000 1.119 60 L HN 0.895 nan 8.230 nan 0.000 0.485 61 G N 0.464 109.330 108.800 0.111 0.000 3.017 61 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.680 61 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.680 61 G C -0.180 174.747 174.900 0.045 0.000 1.179 61 G CA -0.189 44.934 45.100 0.037 0.000 1.142 61 G HN 0.973 nan 8.290 nan 0.000 0.489 62 H N 0.166 119.250 119.070 0.025 0.000 2.594 62 H HA 0.315 4.871 4.556 -0.000 0.000 0.279 62 H C 0.004 175.402 175.328 0.116 0.000 1.042 62 H CA 0.246 56.326 56.048 0.053 0.000 1.177 62 H CB 1.072 30.863 29.762 0.049 0.000 1.524 62 H HN 0.551 nan 8.280 nan 0.000 0.537 63 E N 1.324 121.471 120.200 -0.087 0.000 2.114 63 E HA 0.482 4.832 4.350 -0.000 0.000 0.266 63 E C -0.480 176.124 176.600 0.007 0.000 0.896 63 E CA -0.742 55.653 56.400 -0.009 0.000 0.750 63 E CB 1.856 31.511 29.700 -0.076 0.000 1.121 63 E HN 0.513 nan 8.360 nan 0.000 0.413 64 G N 1.657 110.482 108.800 0.042 0.000 2.666 64 G HA2 0.523 4.483 3.960 -0.000 0.000 0.303 64 G HA3 0.523 4.483 3.960 -0.000 0.000 0.303 64 G C -1.058 173.861 174.900 0.032 0.000 1.412 64 G CA -0.283 44.837 45.100 0.034 0.000 0.979 64 G HN 0.319 nan 8.290 nan 0.000 0.507 65 V N 0.856 120.779 119.914 0.016 0.000 2.823 65 V HA 1.008 5.128 4.120 -0.000 0.000 0.312 65 V C 0.563 176.655 176.094 -0.004 0.000 1.072 65 V CA 0.378 62.684 62.300 0.009 0.000 0.937 65 V CB 1.957 33.784 31.823 0.007 0.000 1.013 65 V HN 1.296 nan 8.190 nan 0.000 0.430 66 G N 1.690 110.485 108.800 -0.009 0.000 2.554 66 G HA2 0.666 4.626 3.960 -0.000 0.000 0.306 66 G HA3 0.666 4.626 3.960 -0.000 0.000 0.306 66 G C -0.820 174.071 174.900 -0.016 0.000 1.320 66 G CA 0.125 45.214 45.100 -0.019 0.000 0.800 66 G HN 0.835 nan 8.290 nan 0.000 0.481 67 T N -1.902 112.644 114.554 -0.013 0.000 2.856 67 T HA 0.600 4.950 4.350 -0.000 0.000 0.283 67 T C -0.101 174.607 174.700 0.013 0.000 1.008 67 T CA -0.616 61.485 62.100 0.002 0.000 0.997 67 T CB 1.698 70.571 68.868 0.010 0.000 0.992 67 T HN 0.724 nan 8.240 nan 0.000 0.454 68 V N 3.076 122.996 119.914 0.010 0.000 2.493 68 V HA 0.344 4.464 4.120 -0.000 0.000 0.292 68 V C 1.368 177.495 176.094 0.054 0.000 1.016 68 V CA 0.684 62.995 62.300 0.017 0.000 1.097 68 V CB -0.263 31.570 31.823 0.017 0.000 0.947 68 V HN 1.211 nan 8.190 nan 0.000 0.479 69 A N 4.668 127.535 122.820 0.080 0.000 1.963 69 A HA 0.298 4.618 4.320 -0.000 0.000 0.207 69 A C 0.771 178.393 177.584 0.064 0.000 1.243 69 A CA 0.283 52.384 52.037 0.106 0.000 0.728 69 A CB 0.285 19.412 19.000 0.212 0.000 0.895 69 A HN 0.732 nan 8.150 nan 0.000 0.467 70 E N -0.505 119.724 120.200 0.048 0.000 2.308 70 E HA 0.505 4.855 4.350 -0.000 0.000 0.275 70 E C -1.744 174.869 176.600 0.021 0.000 0.890 70 E CA -0.486 55.928 56.400 0.024 0.000 0.754 70 E CB 2.046 31.748 29.700 0.002 0.000 1.207 70 E HN 0.279 nan 8.360 nan 0.000 0.426 71 L N 2.332 123.568 121.223 0.021 0.000 2.276 71 L HA 0.405 4.744 4.340 -0.000 0.000 0.286 71 L C 0.987 177.862 176.870 0.009 0.000 1.061 71 L CA -0.516 54.336 54.840 0.020 0.000 0.807 71 L CB 0.863 42.941 42.059 0.031 0.000 1.177 71 L HN 0.604 nan 8.230 nan 0.000 0.429 72 G N 1.999 110.801 108.800 0.002 0.000 2.664 72 G HA2 0.033 3.993 3.960 -0.000 0.000 0.242 72 G HA3 0.033 3.993 3.960 -0.000 0.000 0.242 72 G C -0.169 174.729 174.900 -0.003 0.000 1.225 72 G CA -0.446 44.652 45.100 -0.004 0.000 0.849 72 G HN 0.713 nan 8.290 nan 0.000 0.581 73 E N -0.414 119.783 120.200 -0.006 0.000 2.465 73 E HA 0.285 4.635 4.350 -0.000 0.000 0.260 73 E C 1.453 178.048 176.600 -0.009 0.000 0.980 73 E CA 1.051 57.447 56.400 -0.006 0.000 0.927 73 E CB -0.002 29.693 29.700 -0.007 0.000 0.934 73 E HN 1.003 nan 8.360 nan 0.000 0.459 74 G N 2.700 111.496 108.800 -0.008 0.000 2.179 74 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 74 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 74 G C 0.271 175.165 174.900 -0.010 0.000 0.977 74 G CA 0.181 45.275 45.100 -0.011 0.000 0.641 74 G HN 0.525 nan 8.290 nan 0.000 0.533 75 V N 2.354 122.266 119.914 -0.002 0.000 2.585 75 V HA 0.530 4.650 4.120 -0.000 0.000 0.296 75 V C 1.033 177.139 176.094 0.020 0.000 1.035 75 V CA 0.908 63.215 62.300 0.011 0.000 1.084 75 V CB 1.008 32.846 31.823 0.026 0.000 0.953 75 V HN 0.870 nan 8.190 nan 0.000 0.483 76 T N 0.984 115.548 114.554 0.017 0.000 2.916 76 T HA 0.738 5.088 4.350 -0.000 0.000 0.292 76 T C 0.673 175.364 174.700 -0.014 0.000 1.055 76 T CA 0.046 62.143 62.100 -0.004 0.000 1.009 76 T CB 1.979 70.829 68.868 -0.031 0.000 1.118 76 T HN 1.520 nan 8.240 nan 0.000 0.497 77 G N 0.218 108.962 108.800 -0.093 0.000 2.213 77 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.226 77 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.226 77 G C -0.267 174.284 174.900 -0.582 0.000 0.992 77 G CA -0.197 44.723 45.100 -0.300 0.000 0.632 77 G HN 0.793 nan 8.290 nan 0.000 0.511 78 F N 0.282 120.217 119.950 -0.025 0.000 2.588 78 F HA 0.697 5.224 4.527 -0.000 0.000 0.310 78 F C 0.591 176.385 175.800 -0.010 0.000 1.082 78 F CA -0.196 57.795 58.000 -0.016 0.000 0.929 78 F CB 2.106 41.098 39.000 -0.014 0.000 1.254 78 F HN 0.308 nan 8.300 nan 0.000 0.455 79 G N 0.611 109.521 108.800 0.183 0.000 2.473 79 G HA2 0.563 4.523 3.960 -0.000 0.000 0.321 79 G HA3 0.563 4.523 3.960 -0.000 0.000 0.321 79 G C -1.253 173.708 174.900 0.102 0.000 1.200 79 G CA -0.932 44.231 45.100 0.106 0.000 0.963 79 G HN 0.483 nan 8.290 nan 0.000 0.483 80 V N 1.056 121.012 119.914 0.070 0.000 2.584 80 V HA 0.355 4.475 4.120 -0.000 0.000 0.303 80 V C 1.674 177.801 176.094 0.055 0.000 1.035 80 V CA 2.129 64.464 62.300 0.058 0.000 1.172 80 V CB 0.390 32.240 31.823 0.045 0.000 0.896 80 V HN 1.915 nan 8.190 nan 0.000 0.486 81 G N 3.833 112.665 108.800 0.054 0.000 2.254 81 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.225 81 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.225 81 G C -0.074 174.856 174.900 0.051 0.000 1.003 81 G CA -0.057 45.071 45.100 0.046 0.000 0.622 81 G HN 0.677 nan 8.290 nan 0.000 0.507 82 D N 1.716 122.161 120.400 0.075 0.000 2.458 82 D HA 0.506 5.146 4.640 -0.000 0.000 0.243 82 D C 0.758 177.096 176.300 0.062 0.000 1.146 82 D CA 1.053 55.113 54.000 0.100 0.000 0.877 82 D CB 1.206 42.131 40.800 0.210 0.000 1.176 82 D HN 0.781 nan 8.370 nan 0.000 0.461 83 A N 2.264 125.118 122.820 0.056 0.000 2.354 83 A HA 0.522 4.842 4.320 -0.000 0.000 0.281 83 A C 0.075 177.679 177.584 0.034 0.000 1.174 83 A CA -0.477 51.579 52.037 0.032 0.000 0.828 83 A CB 0.236 19.252 19.000 0.027 0.000 1.099 83 A HN 0.422 nan 8.150 nan 0.000 0.516 84 V N -0.595 119.317 119.914 -0.003 0.000 3.007 84 V HA 0.943 5.063 4.120 -0.000 0.000 0.311 84 V C -0.029 176.059 176.094 -0.010 0.000 1.120 84 V CA -0.518 61.769 62.300 -0.021 0.000 0.980 84 V CB 1.302 33.035 31.823 -0.150 0.000 1.033 84 V HN 1.580 nan 8.190 nan 0.000 0.429 85 A N 2.231 125.057 122.820 0.011 0.000 2.312 85 A HA 0.848 5.168 4.320 -0.000 0.000 0.328 85 A C -0.367 177.247 177.584 0.050 0.000 1.158 85 A CA -0.740 51.316 52.037 0.031 0.000 0.821 85 A CB 1.527 20.552 19.000 0.041 0.000 1.170 85 A HN 1.413 nan 8.150 nan 0.000 0.490 86 V N 2.659 122.616 119.914 0.071 0.000 2.406 86 V HA 0.095 4.214 4.120 -0.000 0.000 0.272 86 V C -0.306 175.862 176.094 0.123 0.000 1.043 86 V CA -0.213 62.162 62.300 0.125 0.000 0.915 86 V CB 0.420 32.328 31.823 0.142 0.000 0.988 86 V HN 0.748 nan 8.190 nan 0.000 0.466 87 Y N 4.354 124.681 120.300 0.045 0.000 2.537 87 Y HA 0.400 4.949 4.550 -0.000 0.000 0.339 87 Y C 1.263 177.063 175.900 -0.167 0.000 1.066 87 Y CA 0.496 58.547 58.100 -0.083 0.000 1.357 87 Y CB 1.128 39.569 38.460 -0.032 0.000 1.175 87 Y HN 0.684 nan 8.280 nan 0.000 0.525 88 G N 5.963 114.101 108.800 -1.103 0.000 2.411 88 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.213 88 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.213 88 G C -1.820 172.126 174.900 -1.589 0.000 1.166 88 G CA -0.063 44.262 45.100 -1.292 0.000 0.802 88 G HN 0.592 nan 8.290 nan 0.000 0.533 89 P HA 0.105 nan 4.420 nan 0.000 0.237 89 P C -0.608 176.474 177.300 -0.364 0.000 1.788 89 P CA -0.995 61.508 63.100 -0.994 0.000 1.061 89 P CB -0.387 30.726 31.700 -0.978 0.000 1.967 90 W N 2.342 123.361 121.300 -0.469 0.000 2.257 90 W HA 0.330 4.990 4.660 -0.000 0.000 0.337 90 W C 1.030 177.501 176.519 -0.081 0.000 1.321 90 W CA 0.383 57.497 57.345 -0.384 0.000 1.267 90 W CB -0.144 29.140 29.460 -0.293 0.000 1.187 90 W HN 0.242 nan 8.180 nan 0.000 0.565 91 G N 0.993 109.949 108.800 0.260 0.000 2.788 91 G HA2 0.409 4.369 3.960 -0.000 0.000 0.293 91 G HA3 0.409 4.369 3.960 -0.000 0.000 0.293 91 G C 0.468 175.483 174.900 0.191 0.000 1.305 91 G CA -0.253 44.973 45.100 0.209 0.000 1.005 91 G HN 0.720 nan 8.290 nan 0.000 0.496 92 C N -2.043 117.338 119.300 0.135 0.000 2.446 92 C HA 0.416 4.876 4.460 -0.000 0.000 0.279 92 C C 2.264 177.294 174.990 0.066 0.000 1.366 92 C CA 0.728 59.804 59.018 0.096 0.000 1.763 92 C CB -0.942 26.846 27.740 0.079 0.000 1.929 92 C HN 2.191 nan 8.230 nan 0.000 0.509 93 G N -0.011 108.831 108.800 0.071 0.000 2.176 93 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.253 93 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.253 93 G C 0.845 175.753 174.900 0.012 0.000 0.979 93 G CA 0.726 45.842 45.100 0.028 0.000 0.641 93 G HN 1.595 nan 8.290 nan 0.000 0.530 94 A N -1.062 121.776 122.820 0.030 0.000 2.140 94 A HA 0.542 4.862 4.320 -0.000 0.000 0.199 94 A C 1.776 179.386 177.584 0.043 0.000 1.416 94 A CA 1.528 53.580 52.037 0.025 0.000 1.018 94 A CB -0.523 18.491 19.000 0.023 0.000 1.117 94 A HN 1.887 nan 8.150 nan 0.000 0.480 95 C N -1.427 117.912 119.300 0.065 0.000 2.705 95 C HA 0.314 4.774 4.460 -0.000 0.000 0.348 95 C C 1.884 176.941 174.990 0.111 0.000 1.386 95 C CA 0.367 59.442 59.018 0.095 0.000 2.361 95 C CB -0.475 27.330 27.740 0.108 0.000 2.486 95 C HN 0.631 nan 8.230 nan 0.000 0.728 96 H N 0.752 119.851 119.070 0.049 0.000 2.319 96 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 96 H C 2.189 177.555 175.328 0.063 0.000 1.092 96 H CA 2.742 58.819 56.048 0.048 0.000 1.302 96 H CB -0.323 29.466 29.762 0.045 0.000 1.373 96 H HN 0.871 nan 8.280 nan 0.000 0.497 97 A N 0.318 123.245 122.820 0.178 0.000 1.877 97 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 97 A C 2.966 180.597 177.584 0.077 0.000 1.186 97 A CA 1.425 53.551 52.037 0.148 0.000 0.620 97 A CB -1.225 17.910 19.000 0.224 0.000 0.822 97 A HN 0.613 nan 8.150 nan 0.000 0.443 98 C N -0.932 118.413 119.300 0.075 0.000 2.425 98 C HA 0.035 4.495 4.460 -0.000 0.000 0.277 98 C C 3.274 178.258 174.990 -0.010 0.000 1.280 98 C CA 0.677 59.721 59.018 0.045 0.000 1.744 98 C CB -1.394 26.382 27.740 0.060 0.000 1.989 98 C HN 0.700 nan 8.230 nan 0.000 0.491 99 A N 0.478 123.275 122.820 -0.039 0.000 2.024 99 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 99 A C 2.069 179.598 177.584 -0.091 0.000 1.164 99 A CA 1.338 53.329 52.037 -0.077 0.000 0.643 99 A CB -0.427 18.503 19.000 -0.116 0.000 0.806 99 A HN 0.740 nan 8.150 nan 0.000 0.451 100 R N -1.453 118.992 120.500 -0.092 0.000 2.356 100 R HA 0.266 4.606 4.340 -0.000 0.000 0.234 100 R C 1.220 177.503 176.300 -0.028 0.000 0.929 100 R CA 0.453 56.517 56.100 -0.060 0.000 1.084 100 R CB -0.069 30.201 30.300 -0.050 0.000 1.105 100 R HN 0.629 nan 8.270 nan 0.000 0.515 101 G N 1.832 110.606 108.800 -0.043 0.000 2.184 101 G HA2 -0.359 3.600 3.960 -0.000 0.000 0.264 101 G HA3 -0.359 3.600 3.960 -0.000 0.000 0.264 101 G C 0.398 175.272 174.900 -0.044 0.000 0.975 101 G CA 0.003 45.057 45.100 -0.076 0.000 0.642 101 G HN 0.358 nan 8.290 nan 0.000 0.536 102 R N 0.560 121.078 120.500 0.031 0.000 4.680 102 R HA 0.266 4.606 4.340 -0.000 0.000 0.222 102 R C 1.294 177.648 176.300 0.090 0.000 1.803 102 R CA 0.038 56.190 56.100 0.087 0.000 1.560 102 R CB -0.029 30.395 30.300 0.208 0.000 1.412 102 R HN 0.529 nan 8.270 nan 0.000 0.815 103 E N 1.064 121.312 120.200 0.080 0.000 2.347 103 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 103 E C 1.255 177.907 176.600 0.088 0.000 1.008 103 E CA 0.628 57.106 56.400 0.130 0.000 0.852 103 E CB 0.132 29.960 29.700 0.213 0.000 0.783 103 E HN 0.522 nan 8.360 nan 0.000 0.505 104 N N 0.630 119.294 118.700 -0.060 0.000 2.289 104 N HA -0.211 4.529 4.740 -0.000 0.000 0.184 104 N C 0.716 176.178 175.510 -0.080 0.000 1.016 104 N CA 1.228 54.149 53.050 -0.216 0.000 0.872 104 N CB -0.399 37.706 38.487 -0.637 0.000 0.973 104 N HN 0.272 nan 8.380 nan 0.000 0.433 105 Y N 0.428 120.840 120.300 0.186 0.000 2.658 105 Y HA 0.302 4.852 4.550 -0.000 0.000 0.276 105 Y C 0.633 176.619 175.900 0.144 0.000 1.167 105 Y CA -1.899 56.307 58.100 0.177 0.000 1.230 105 Y CB -0.749 37.808 38.460 0.161 0.000 1.144 105 Y HN 0.058 nan 8.280 nan 0.000 0.529 106 C N 2.310 121.753 119.300 0.238 0.000 2.538 106 C HA 0.050 4.510 4.460 -0.000 0.000 0.408 106 C C 1.909 176.999 174.990 0.167 0.000 1.421 106 C CA 1.279 60.407 59.018 0.183 0.000 1.642 106 C CB -0.348 27.486 27.740 0.156 0.000 2.553 106 C HN 0.742 nan 8.230 nan 0.000 0.604 107 T N 3.012 117.651 114.554 0.142 0.000 3.107 107 T HA 0.181 4.531 4.350 -0.000 0.000 0.249 107 T C 1.390 176.144 174.700 0.090 0.000 1.096 107 T CA 0.290 62.457 62.100 0.113 0.000 1.012 107 T CB -0.144 68.784 68.868 0.100 0.000 0.977 107 T HN 0.831 nan 8.240 nan 0.000 0.527 108 R N 0.120 120.676 120.500 0.094 0.000 2.316 108 R HA 0.498 4.837 4.340 -0.000 0.000 0.201 108 R C 2.554 178.902 176.300 0.081 0.000 0.888 108 R CA 0.759 56.907 56.100 0.079 0.000 1.041 108 R CB -0.499 29.846 30.300 0.075 0.000 1.115 108 R HN 0.439 nan 8.270 nan 0.000 0.559 109 A N 1.893 124.771 122.820 0.096 0.000 1.892 109 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 109 A C 2.345 179.978 177.584 0.082 0.000 1.188 109 A CA 2.122 54.219 52.037 0.101 0.000 0.631 109 A CB -0.560 18.512 19.000 0.120 0.000 0.822 109 A HN 0.291 nan 8.150 nan 0.000 0.447 110 A N -0.188 122.674 122.820 0.070 0.000 1.908 110 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 110 A C 1.786 179.400 177.584 0.051 0.000 1.181 110 A CA 1.967 54.038 52.037 0.055 0.000 0.627 110 A CB -0.597 18.429 19.000 0.044 0.000 0.818 110 A HN 0.483 nan 8.150 nan 0.000 0.445 111 D N -0.128 120.303 120.400 0.050 0.000 2.149 111 D HA -0.044 4.595 4.640 -0.000 0.000 0.201 111 D C 1.730 178.058 176.300 0.046 0.000 0.972 111 D CA 0.837 54.863 54.000 0.044 0.000 0.835 111 D CB -0.243 40.582 40.800 0.041 0.000 0.966 111 D HN 0.450 nan 8.370 nan 0.000 0.476 112 L N -0.356 120.900 121.223 0.055 0.000 2.554 112 L HA 0.137 4.477 4.340 -0.000 0.000 0.226 112 L C 1.285 178.193 176.870 0.062 0.000 1.137 112 L CA 0.375 55.249 54.840 0.057 0.000 0.863 112 L CB -0.184 41.914 42.059 0.065 0.000 0.985 112 L HN 0.093 nan 8.230 nan 0.000 0.451 113 G N 1.261 110.099 108.800 0.063 0.000 2.176 113 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 113 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 113 G C 0.076 175.025 174.900 0.081 0.000 1.024 113 G CA -0.199 44.940 45.100 0.064 0.000 0.755 113 G HN 0.308 nan 8.290 nan 0.000 0.507 114 I N 2.140 122.770 120.570 0.098 0.000 2.337 114 I HA 0.443 4.613 4.170 -0.000 0.000 0.291 114 I C 0.957 177.138 176.117 0.107 0.000 1.046 114 I CA 0.267 61.652 61.300 0.142 0.000 1.324 114 I CB 1.114 39.220 38.000 0.177 0.000 1.409 114 I HN 0.303 nan 8.210 nan 0.000 0.494 115 T N 3.857 118.454 114.554 0.072 0.000 2.908 115 T HA 0.611 4.961 4.350 -0.000 0.000 0.290 115 T C -2.785 171.760 174.700 -0.259 0.000 1.034 115 T CA -2.465 59.590 62.100 -0.076 0.000 1.010 115 T CB 2.011 70.801 68.868 -0.129 0.000 1.068 115 T HN 0.094 nan 8.240 nan 0.000 0.481 116 P HA 0.361 nan 4.420 nan 0.000 0.274 116 P C -2.685 174.225 177.300 -0.650 0.000 1.231 116 P CA -1.569 61.129 63.100 -0.672 0.000 0.790 116 P CB -0.576 30.964 31.700 -0.266 0.000 0.951 117 P HA 0.042 nan 4.420 nan 0.000 0.264 117 P C 1.006 178.209 177.300 -0.162 0.000 1.193 117 P CA 1.252 64.097 63.100 -0.425 0.000 0.763 117 P CB -0.044 31.442 31.700 -0.356 0.000 0.810 118 G N 2.637 111.389 108.800 -0.079 0.000 2.199 118 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 118 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 118 G C 0.160 175.038 174.900 -0.037 0.000 0.982 118 G CA 0.018 45.135 45.100 0.028 0.000 0.632 118 G HN 0.516 nan 8.290 nan 0.000 0.529 119 L N -0.552 120.516 121.223 -0.258 0.000 2.980 119 L HA 0.582 4.922 4.340 -0.000 0.000 0.314 119 L C 1.338 177.592 176.870 -1.026 0.000 1.303 119 L CA 0.342 54.789 54.840 -0.655 0.000 0.785 119 L CB 0.592 42.296 42.059 -0.592 0.000 1.190 119 L HN 0.864 nan 8.230 nan 0.000 0.567 120 G N -0.978 107.511 108.800 -0.518 0.000 2.617 120 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.197 120 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.197 120 G C 0.175 175.005 174.900 -0.117 0.000 1.017 120 G CA -0.056 44.870 45.100 -0.290 0.000 0.713 120 G HN 0.273 nan 8.290 nan 0.000 0.481 121 S N 2.021 117.627 115.700 -0.156 0.000 2.621 121 S HA 0.736 5.206 4.470 -0.000 0.000 0.302 121 S C -2.850 171.718 174.600 -0.053 0.000 1.093 121 S CA -1.082 57.072 58.200 -0.076 0.000 1.017 121 S CB 2.420 65.551 63.200 -0.114 0.000 1.077 121 S HN 0.161 nan 8.310 nan 0.000 0.517 122 P HA 0.229 nan 4.420 nan 0.000 0.268 122 P C 0.061 177.376 177.300 0.024 0.000 1.204 122 P CA 0.060 63.184 63.100 0.039 0.000 0.768 122 P CB 0.263 32.005 31.700 0.070 0.000 0.842 123 G N 0.823 109.644 108.800 0.036 0.000 2.543 123 G HA2 0.321 4.281 3.960 -0.000 0.000 0.267 123 G HA3 0.321 4.281 3.960 -0.000 0.000 0.267 123 G C 0.762 175.694 174.900 0.053 0.000 1.406 123 G CA -0.216 44.904 45.100 0.034 0.000 1.048 123 G HN 0.444 nan 8.290 nan 0.000 0.548 124 S N -1.653 114.076 115.700 0.048 0.000 2.524 124 S HA 0.144 4.614 4.470 -0.000 0.000 0.215 124 S C 1.377 175.997 174.600 0.034 0.000 0.986 124 S CA -0.092 58.134 58.200 0.043 0.000 0.911 124 S CB -0.023 63.197 63.200 0.033 0.000 0.805 124 S HN 0.337 nan 8.310 nan 0.000 0.501 125 M N 2.623 122.250 119.600 0.045 0.000 3.596 125 M HA 0.486 4.966 4.480 -0.000 0.000 0.219 125 M C -0.236 176.093 176.300 0.048 0.000 1.471 125 M CA -0.087 55.240 55.300 0.045 0.000 1.644 125 M CB -0.716 31.927 32.600 0.071 0.000 1.083 125 M HN 0.534 nan 8.290 nan 0.000 0.579 126 A N 0.855 123.697 122.820 0.036 0.000 2.599 126 A HA 0.377 4.697 4.320 -0.000 0.000 0.290 126 A C 0.187 177.775 177.584 0.006 0.000 1.101 126 A CA -0.699 51.364 52.037 0.044 0.000 0.674 126 A CB 0.973 20.018 19.000 0.075 0.000 1.277 126 A HN 0.602 nan 8.150 nan 0.000 0.419 127 E N -0.898 119.305 120.200 0.006 0.000 2.153 127 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 127 E C -0.718 175.659 176.600 -0.372 0.000 0.988 127 E CA 1.541 57.856 56.400 -0.142 0.000 0.811 127 E CB -0.050 29.616 29.700 -0.056 0.000 0.746 127 E HN 0.523 nan 8.360 nan 0.000 0.466 128 Y N -0.712 119.606 120.300 0.030 0.000 2.553 128 Y HA 0.393 4.943 4.550 -0.000 0.000 0.347 128 Y C -0.080 175.844 175.900 0.040 0.000 1.019 128 Y CA -1.166 56.952 58.100 0.031 0.000 1.032 128 Y CB 1.697 40.174 38.460 0.028 0.000 1.284 128 Y HN -0.156 nan 8.280 nan 0.000 0.466 129 M N 1.929 121.651 119.600 0.203 0.000 2.575 129 M HA 0.698 5.178 4.480 -0.000 0.000 0.284 129 M C -2.215 174.177 176.300 0.153 0.000 1.253 129 M CA -0.804 54.589 55.300 0.154 0.000 0.861 129 M CB 2.454 35.124 32.600 0.117 0.000 1.733 129 M HN 0.373 nan 8.290 nan 0.000 0.462 130 I N 2.902 123.566 120.570 0.156 0.000 2.353 130 I HA 0.506 4.675 4.170 -0.000 0.000 0.293 130 I C -0.525 175.733 176.117 0.234 0.000 0.992 130 I CA -0.713 60.680 61.300 0.155 0.000 1.268 130 I CB 1.736 39.820 38.000 0.139 0.000 1.387 130 I HN 0.583 nan 8.210 nan 0.000 0.478 131 V N 6.088 126.099 119.914 0.161 0.000 2.513 131 V HA 0.185 4.305 4.120 -0.000 0.000 0.299 131 V C 0.992 177.018 176.094 -0.112 0.000 1.035 131 V CA -0.651 61.741 62.300 0.154 0.000 0.889 131 V CB 1.799 33.680 31.823 0.097 0.000 0.988 131 V HN 0.784 nan 8.190 nan 0.000 0.440 132 D N 2.064 122.153 120.400 -0.518 0.000 2.178 132 D HA -0.056 4.584 4.640 -0.000 0.000 0.202 132 D C 0.816 176.900 176.300 -0.361 0.000 0.974 132 D CA 1.104 54.825 54.000 -0.465 0.000 0.841 132 D CB 0.437 40.806 40.800 -0.718 0.000 0.953 132 D HN 0.485 nan 8.370 nan 0.000 0.478 133 S N -2.139 113.301 115.700 -0.433 0.000 2.550 133 S HA 0.563 5.033 4.470 -0.000 0.000 0.270 133 S C 0.350 174.764 174.600 -0.309 0.000 1.145 133 S CA -0.142 57.835 58.200 -0.371 0.000 0.852 133 S CB 1.451 64.345 63.200 -0.510 0.000 1.119 133 S HN 0.149 nan 8.310 nan 0.000 0.465 134 A N 3.333 126.052 122.820 -0.169 0.000 1.978 134 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 134 A C 1.955 179.538 177.584 -0.002 0.000 1.170 134 A CA 1.814 53.846 52.037 -0.009 0.000 0.636 134 A CB -0.748 18.338 19.000 0.144 0.000 0.810 134 A HN 0.928 nan 8.150 nan 0.000 0.448 135 R N -0.952 119.433 120.500 -0.191 0.000 2.316 135 R HA -0.049 4.291 4.340 -0.000 0.000 0.202 135 R C 0.531 176.716 176.300 -0.192 0.000 1.029 135 R CA 1.535 57.512 56.100 -0.205 0.000 1.018 135 R CB -0.680 29.447 30.300 -0.288 0.000 0.888 135 R HN 0.705 nan 8.270 nan 0.000 0.471 136 H N 0.063 119.063 119.070 -0.116 0.000 2.507 136 H HA 0.324 4.880 4.556 -0.000 0.000 0.294 136 H C -0.402 174.938 175.328 0.021 0.000 1.064 136 H CA -0.599 55.433 56.048 -0.027 0.000 1.138 136 H CB 0.387 30.071 29.762 -0.130 0.000 1.515 136 H HN 0.013 nan 8.280 nan 0.000 0.547 137 L N 1.323 122.565 121.223 0.032 0.000 2.346 137 L HA 0.510 4.850 4.340 -0.000 0.000 0.276 137 L C -0.745 176.168 176.870 0.071 0.000 1.006 137 L CA -1.048 53.741 54.840 -0.085 0.000 0.817 137 L CB 2.623 44.333 42.059 -0.583 0.000 1.272 137 L HN -0.038 nan 8.230 nan 0.000 0.421 138 V N 3.297 123.255 119.914 0.073 0.000 2.577 138 V HA 0.371 4.491 4.120 -0.000 0.000 0.303 138 V C -2.271 173.899 176.094 0.127 0.000 1.042 138 V CA -1.775 60.603 62.300 0.130 0.000 0.872 138 V CB 2.244 34.115 31.823 0.080 0.000 0.998 138 V HN 0.574 nan 8.190 nan 0.000 0.423 139 P HA 0.249 nan 4.420 nan 0.000 0.268 139 P C 0.517 177.864 177.300 0.079 0.000 1.204 139 P CA 0.141 63.337 63.100 0.160 0.000 0.768 139 P CB 0.516 32.308 31.700 0.154 0.000 0.842 140 I N -1.315 119.290 120.570 0.059 0.000 4.154 140 I HA 0.368 4.538 4.170 -0.000 0.000 0.334 140 I C 1.046 177.179 176.117 0.028 0.000 1.371 140 I CA -0.114 61.207 61.300 0.034 0.000 1.110 140 I CB -0.153 37.861 38.000 0.025 0.000 1.085 140 I HN 0.493 nan 8.210 nan 0.000 0.398 141 G N 3.794 112.616 108.800 0.036 0.000 2.611 141 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.301 141 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.301 141 G C 0.344 175.256 174.900 0.019 0.000 1.233 141 G CA 0.912 46.028 45.100 0.027 0.000 0.993 141 G HN 0.727 nan 8.290 nan 0.000 0.553 142 D N 1.036 121.443 120.400 0.012 0.000 2.325 142 D HA 0.221 4.861 4.640 -0.000 0.000 0.234 142 D C 1.180 177.482 176.300 0.004 0.000 1.122 142 D CA -0.194 53.810 54.000 0.008 0.000 0.850 142 D CB -0.446 40.357 40.800 0.005 0.000 0.921 142 D HN 0.567 nan 8.370 nan 0.000 0.513 143 L N 1.126 122.353 121.223 0.006 0.000 2.499 143 L HA 0.001 4.341 4.340 -0.000 0.000 0.273 143 L C 0.667 177.537 176.870 -0.000 0.000 1.195 143 L CA -0.221 54.621 54.840 0.003 0.000 0.882 143 L CB 0.235 42.296 42.059 0.004 0.000 1.133 143 L HN 0.007 nan 8.230 nan 0.000 0.483 144 D N 5.961 126.359 120.400 -0.004 0.000 2.502 144 D HA -0.033 4.607 4.640 -0.000 0.000 0.249 144 D C -1.614 174.683 176.300 -0.006 0.000 1.188 144 D CA -1.057 52.938 54.000 -0.008 0.000 0.890 144 D CB 1.097 41.890 40.800 -0.013 0.000 1.140 144 D HN 0.207 nan 8.370 nan 0.000 0.505 145 P HA -0.150 nan 4.420 nan 0.000 0.216 145 P C 1.501 178.798 177.300 -0.006 0.000 1.150 145 P CA 0.478 63.574 63.100 -0.006 0.000 0.837 145 P CB 0.236 31.929 31.700 -0.011 0.000 0.786 146 V N 0.272 120.180 119.914 -0.010 0.000 2.343 146 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 146 V C 2.422 178.515 176.094 -0.002 0.000 1.051 146 V CA 2.320 64.614 62.300 -0.010 0.000 1.036 146 V CB -1.733 30.077 31.823 -0.022 0.000 0.654 146 V HN 0.112 nan 8.190 nan 0.000 0.451 147 A N -0.499 122.320 122.820 -0.002 0.000 2.066 147 A HA 0.154 4.474 4.320 -0.000 0.000 0.218 147 A C 2.299 179.890 177.584 0.011 0.000 1.157 147 A CA 1.496 53.538 52.037 0.008 0.000 0.670 147 A CB -0.429 18.572 19.000 0.002 0.000 0.804 147 A HN 0.536 nan 8.150 nan 0.000 0.453 148 A N -0.163 122.661 122.820 0.006 0.000 1.930 148 A HA 0.341 4.661 4.320 -0.000 0.000 0.215 148 A C 2.421 180.014 177.584 0.013 0.000 1.176 148 A CA 1.422 53.464 52.037 0.008 0.000 0.632 148 A CB -0.827 18.178 19.000 0.007 0.000 0.819 148 A HN 0.893 nan 8.150 nan 0.000 0.445 149 A N 0.698 123.525 122.820 0.012 0.000 1.892 149 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 149 A C 0.106 177.700 177.584 0.017 0.000 1.188 149 A CA 1.993 54.038 52.037 0.013 0.000 0.631 149 A CB -1.719 17.283 19.000 0.003 0.000 0.822 149 A HN 0.435 nan 8.150 nan 0.000 0.447 150 P HA -0.105 nan 4.420 nan 0.000 0.222 150 P C 1.225 178.540 177.300 0.024 0.000 1.147 150 P CA 0.675 63.787 63.100 0.019 0.000 0.790 150 P CB -0.187 31.535 31.700 0.037 0.000 0.780 151 L N -0.905 120.332 121.223 0.022 0.000 2.187 151 L HA -0.156 4.184 4.340 -0.000 0.000 0.213 151 L C 2.142 179.045 176.870 0.055 0.000 1.100 151 L CA 2.053 56.906 54.840 0.020 0.000 0.765 151 L CB -1.683 40.380 42.059 0.007 0.000 0.904 151 L HN 0.169 nan 8.230 nan 0.000 0.437 152 T N -5.319 109.284 114.554 0.081 0.000 3.118 152 T HA -0.076 4.274 4.350 -0.000 0.000 0.260 152 T C 1.093 175.977 174.700 0.306 0.000 1.139 152 T CA 1.042 63.228 62.100 0.144 0.000 1.085 152 T CB 0.257 69.205 68.868 0.134 0.000 0.934 152 T HN 0.316 nan 8.240 nan 0.000 0.518 153 D N 0.057 120.580 120.400 0.206 0.000 2.574 153 D HA 0.305 4.945 4.640 -0.000 0.000 0.166 153 D C 2.060 178.383 176.300 0.039 0.000 1.445 153 D CA 0.573 54.670 54.000 0.162 0.000 1.453 153 D CB -0.473 40.347 40.800 0.033 0.000 1.814 153 D HN 0.183 nan 8.370 nan 0.000 0.327 154 A N 0.790 123.612 122.820 0.002 0.000 1.986 154 A HA 0.074 4.394 4.320 -0.000 0.000 0.220 154 A C 2.067 179.622 177.584 -0.049 0.000 1.171 154 A CA 2.663 54.678 52.037 -0.038 0.000 0.640 154 A CB -1.004 17.983 19.000 -0.022 0.000 0.811 154 A HN 0.362 nan 8.150 nan 0.000 0.451 155 G N -0.750 108.049 108.800 -0.002 0.000 2.447 155 G HA2 0.081 4.041 3.960 -0.000 0.000 0.211 155 G HA3 0.081 4.041 3.960 -0.000 0.000 0.211 155 G C 1.428 176.386 174.900 0.097 0.000 1.184 155 G CA 0.783 45.891 45.100 0.014 0.000 0.813 155 G HN 0.427 nan 8.290 nan 0.000 0.540 156 L N 1.321 122.619 121.223 0.124 0.000 2.012 156 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 156 L C 2.874 179.912 176.870 0.281 0.000 1.073 156 L CA 2.687 57.644 54.840 0.195 0.000 0.748 156 L CB -1.016 41.171 42.059 0.214 0.000 0.891 156 L HN 0.210 nan 8.230 nan 0.000 0.431 157 T N 0.330 115.027 114.554 0.238 0.000 2.674 157 T HA -0.071 4.279 4.350 -0.000 0.000 0.265 157 T C -0.433 174.441 174.700 0.289 0.000 1.039 157 T CA 1.883 64.129 62.100 0.243 0.000 1.150 157 T CB -1.115 67.817 68.868 0.106 0.000 0.864 157 T HN 0.313 nan 8.240 nan 0.000 0.427 158 P HA -0.048 nan 4.420 nan 0.000 0.218 158 P C 0.992 178.372 177.300 0.133 0.000 1.149 158 P CA 0.778 64.019 63.100 0.235 0.000 0.817 158 P CB -0.113 31.602 31.700 0.026 0.000 0.785 159 Y N -0.383 119.953 120.300 0.061 0.000 2.128 159 Y HA -0.293 4.257 4.550 -0.000 0.000 0.284 159 Y C 2.713 178.671 175.900 0.097 0.000 1.154 159 Y CA 1.973 60.102 58.100 0.048 0.000 1.149 159 Y CB -0.806 37.693 38.460 0.064 0.000 0.976 159 Y HN 0.008 nan 8.280 nan 0.000 0.505 160 H N -0.265 118.962 119.070 0.261 0.000 2.321 160 H HA -0.131 4.425 4.556 -0.000 0.000 0.300 160 H C 2.155 177.569 175.328 0.144 0.000 1.087 160 H CA 1.861 58.034 56.048 0.208 0.000 1.319 160 H CB -0.528 29.368 29.762 0.223 0.000 1.379 160 H HN 0.365 nan 8.280 nan 0.000 0.501 161 A N 0.452 123.318 122.820 0.076 0.000 1.902 161 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 161 A C 2.591 180.204 177.584 0.048 0.000 1.181 161 A CA 1.727 53.814 52.037 0.084 0.000 0.623 161 A CB -0.827 18.314 19.000 0.236 0.000 0.818 161 A HN 0.513 nan 8.150 nan 0.000 0.443 162 I N -0.370 120.077 120.570 -0.205 0.000 2.252 162 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 162 I C 2.570 178.583 176.117 -0.174 0.000 1.102 162 I CA 1.333 62.441 61.300 -0.319 0.000 1.385 162 I CB -0.219 37.473 38.000 -0.513 0.000 1.064 162 I HN 0.190 nan 8.210 nan 0.000 0.414 163 S N 0.445 115.995 115.700 -0.250 0.000 2.399 163 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 163 S C 2.005 176.528 174.600 -0.129 0.000 1.022 163 S CA 1.042 59.120 58.200 -0.203 0.000 0.983 163 S CB -0.280 62.832 63.200 -0.147 0.000 0.803 163 S HN 0.373 nan 8.310 nan 0.000 0.480 164 R N 0.716 121.116 120.500 -0.167 0.000 2.127 164 R HA -0.068 4.272 4.340 -0.000 0.000 0.238 164 R C 1.482 177.684 176.300 -0.163 0.000 1.134 164 R CA 1.566 57.571 56.100 -0.159 0.000 0.975 164 R CB -0.253 29.937 30.300 -0.183 0.000 0.865 164 R HN 0.487 nan 8.270 nan 0.000 0.447 165 V N -2.426 117.397 119.914 -0.152 0.000 2.991 165 V HA 0.142 4.262 4.120 -0.000 0.000 0.355 165 V C 1.135 177.198 176.094 -0.051 0.000 1.384 165 V CA -0.240 61.963 62.300 -0.160 0.000 1.171 165 V CB 0.421 32.039 31.823 -0.341 0.000 1.190 165 V HN 0.005 nan 8.190 nan 0.000 0.540 166 L N 1.899 123.094 121.223 -0.048 0.000 2.081 166 L HA 0.089 4.429 4.340 -0.000 0.000 0.212 166 L C -0.237 176.622 176.870 -0.018 0.000 1.080 166 L CA 2.550 57.370 54.840 -0.034 0.000 0.754 166 L CB -1.352 40.668 42.059 -0.066 0.000 0.893 166 L HN 0.322 nan 8.230 nan 0.000 0.433 167 P HA -0.124 nan 4.420 nan 0.000 0.225 167 P C 1.931 179.226 177.300 -0.009 0.000 1.148 167 P CA 1.130 64.222 63.100 -0.014 0.000 0.779 167 P CB -0.030 31.660 31.700 -0.016 0.000 0.780 168 L N -1.663 119.553 121.223 -0.012 0.000 2.291 168 L HA -0.037 4.303 4.340 -0.000 0.000 0.214 168 L C 1.200 178.078 176.870 0.014 0.000 1.120 168 L CA 0.668 55.507 54.840 -0.003 0.000 0.799 168 L CB -0.518 41.535 42.059 -0.010 0.000 0.925 168 L HN -0.012 nan 8.230 nan 0.000 0.446 169 L N 0.779 122.016 121.223 0.023 0.000 2.865 169 L HA 0.259 4.599 4.340 -0.000 0.000 0.233 169 L C 0.968 177.852 176.870 0.024 0.000 1.320 169 L CA -0.616 54.247 54.840 0.037 0.000 1.225 169 L CB -0.327 41.768 42.059 0.060 0.000 1.542 169 L HN 0.012 nan 8.230 nan 0.000 0.432 170 G N 0.679 109.490 108.800 0.018 0.000 2.563 170 G HA2 0.400 4.359 3.960 -0.000 0.000 0.283 170 G HA3 0.400 4.359 3.960 -0.000 0.000 0.283 170 G C -2.601 172.308 174.900 0.016 0.000 1.309 170 G CA -1.226 43.883 45.100 0.014 0.000 1.022 170 G HN 0.104 nan 8.290 nan 0.000 0.501 171 P HA 0.215 nan 4.420 nan 0.000 0.265 171 P C 0.862 178.171 177.300 0.014 0.000 1.193 171 P CA 1.477 64.586 63.100 0.014 0.000 0.765 171 P CB 1.016 32.723 31.700 0.012 0.000 0.823 172 G N 1.602 110.411 108.800 0.015 0.000 2.213 172 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.236 172 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.236 172 G C 0.426 175.335 174.900 0.015 0.000 0.991 172 G CA 0.266 45.374 45.100 0.014 0.000 0.629 172 G HN 0.806 nan 8.290 nan 0.000 0.517 173 S N -0.320 115.391 115.700 0.019 0.000 2.614 173 S HA 0.701 5.171 4.470 -0.000 0.000 0.265 173 S C -0.051 174.566 174.600 0.028 0.000 1.303 173 S CA 0.746 58.959 58.200 0.023 0.000 1.000 173 S CB 2.001 65.218 63.200 0.028 0.000 0.935 173 S HN 0.686 nan 8.310 nan 0.000 0.551 174 T N 1.160 115.731 114.554 0.029 0.000 2.881 174 T HA 0.710 5.060 4.350 -0.000 0.000 0.290 174 T C -0.714 174.016 174.700 0.049 0.000 1.000 174 T CA -0.400 61.721 62.100 0.035 0.000 0.978 174 T CB 1.438 70.318 68.868 0.020 0.000 0.997 174 T HN 1.031 nan 8.240 nan 0.000 0.443 175 A N 2.952 125.824 122.820 0.086 0.000 2.318 175 A HA 0.769 5.089 4.320 -0.000 0.000 0.317 175 A C -0.399 177.264 177.584 0.132 0.000 1.159 175 A CA -0.588 51.535 52.037 0.144 0.000 0.799 175 A CB 0.799 19.966 19.000 0.279 0.000 1.194 175 A HN 0.671 nan 8.150 nan 0.000 0.479 176 V N 3.032 123.000 119.914 0.090 0.000 2.439 176 V HA 0.380 4.500 4.120 -0.000 0.000 0.282 176 V C -0.186 176.002 176.094 0.157 0.000 1.039 176 V CA -0.372 61.975 62.300 0.079 0.000 0.913 176 V CB 1.497 33.322 31.823 0.003 0.000 0.983 176 V HN 0.607 nan 8.190 nan 0.000 0.460 177 V N 6.679 126.700 119.914 0.179 0.000 2.378 177 V HA 0.466 4.586 4.120 -0.000 0.000 0.288 177 V C -0.140 176.072 176.094 0.198 0.000 1.016 177 V CA -0.330 62.129 62.300 0.265 0.000 0.840 177 V CB 1.514 33.521 31.823 0.307 0.000 0.994 177 V HN 0.658 nan 8.190 nan 0.000 0.431 178 I N 4.462 125.136 120.570 0.174 0.000 2.312 178 I HA 0.709 4.879 4.170 -0.000 0.000 0.290 178 I C 0.722 176.967 176.117 0.212 0.000 1.008 178 I CA -0.281 61.094 61.300 0.125 0.000 1.226 178 I CB 1.410 39.430 38.000 0.034 0.000 1.371 178 I HN 0.832 nan 8.210 nan 0.000 0.468 179 G N 4.584 113.483 108.800 0.165 0.000 3.238 179 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.684 179 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.684 179 G C -0.768 174.210 174.900 0.131 0.000 1.156 179 G CA -1.032 44.159 45.100 0.151 0.000 1.048 179 G HN 0.440 nan 8.290 nan 0.000 0.462 180 V N 2.979 122.934 119.914 0.068 0.000 2.169 180 V HA 0.656 4.776 4.120 -0.000 0.000 0.271 180 V C 1.354 177.453 176.094 0.008 0.000 1.372 180 V CA 0.662 62.984 62.300 0.037 0.000 1.348 180 V CB 0.017 31.855 31.823 0.025 0.000 1.379 180 V HN 1.163 nan 8.190 nan 0.000 0.491 181 G N 0.989 109.795 108.800 0.009 0.000 3.099 181 G HA2 0.522 4.482 3.960 -0.000 0.000 0.151 181 G HA3 0.522 4.482 3.960 -0.000 0.000 0.151 181 G C 1.114 176.048 174.900 0.057 0.000 1.265 181 G CA 0.236 45.338 45.100 0.004 0.000 0.981 181 G HN 0.438 nan 8.290 nan 0.000 0.601 182 G N -0.192 108.642 108.800 0.057 0.000 2.514 182 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 182 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 182 G C 1.719 176.659 174.900 0.066 0.000 1.198 182 G CA 1.317 46.486 45.100 0.115 0.000 0.780 182 G HN 0.280 nan 8.290 nan 0.000 0.565 183 L N 1.264 122.420 121.223 -0.113 0.000 2.044 183 L HA 0.193 4.533 4.340 -0.000 0.000 0.205 183 L C 3.164 179.654 176.870 -0.633 0.000 1.075 183 L CA 1.723 56.345 54.840 -0.363 0.000 0.747 183 L CB -1.078 40.725 42.059 -0.427 0.000 0.903 183 L HN 0.259 nan 8.230 nan 0.000 0.435 184 G N -0.838 107.616 108.800 -0.576 0.000 2.446 184 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.217 184 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.217 184 G C 1.556 176.328 174.900 -0.213 0.000 1.168 184 G CA 1.114 45.921 45.100 -0.489 0.000 0.771 184 G HN 0.627 nan 8.290 nan 0.000 0.551 185 H N 0.180 119.131 119.070 -0.199 0.000 2.491 185 H HA 0.076 4.632 4.556 -0.000 0.000 0.290 185 H C 2.095 177.351 175.328 -0.120 0.000 1.050 185 H CA 1.304 57.265 56.048 -0.145 0.000 1.309 185 H CB -0.354 29.309 29.762 -0.164 0.000 1.392 185 H HN 0.246 nan 8.280 nan 0.000 0.554 186 V N 0.949 120.489 119.914 -0.623 0.000 2.599 186 V HA 0.007 4.127 4.120 -0.000 0.000 0.245 186 V C 3.041 178.981 176.094 -0.256 0.000 1.046 186 V CA 1.143 63.155 62.300 -0.479 0.000 1.065 186 V CB -0.746 30.840 31.823 -0.395 0.000 0.703 186 V HN 0.600 nan 8.190 nan 0.000 0.464 187 G N 0.574 109.203 108.800 -0.285 0.000 2.440 187 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 187 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 187 G C 1.580 176.432 174.900 -0.080 0.000 1.154 187 G CA 1.093 46.088 45.100 -0.175 0.000 0.767 187 G HN 0.472 nan 8.290 nan 0.000 0.552 188 I N 0.413 120.949 120.570 -0.057 0.000 2.194 188 I HA -0.283 3.887 4.170 -0.000 0.000 0.246 188 I C 3.037 179.141 176.117 -0.022 0.000 1.093 188 I CA 1.493 62.788 61.300 -0.009 0.000 1.355 188 I CB -0.253 37.749 38.000 0.004 0.000 1.046 188 I HN 0.274 nan 8.210 nan 0.000 0.413 189 Q N 0.267 120.037 119.800 -0.050 0.000 2.172 189 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 189 Q C 2.355 178.346 176.000 -0.014 0.000 0.964 189 Q CA 1.197 56.983 55.803 -0.028 0.000 0.855 189 Q CB 0.001 28.714 28.738 -0.043 0.000 0.918 189 Q HN 0.556 nan 8.270 nan 0.000 0.444 190 I N 0.659 121.214 120.570 -0.024 0.000 2.202 190 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 190 I C 2.164 178.261 176.117 -0.033 0.000 1.091 190 I CA 1.039 62.340 61.300 0.002 0.000 1.368 190 I CB -0.212 37.795 38.000 0.011 0.000 1.058 190 I HN 0.179 nan 8.210 nan 0.000 0.410 191 L N 0.239 121.428 121.223 -0.057 0.000 2.013 191 L HA -0.247 4.092 4.340 -0.000 0.000 0.212 191 L C 2.777 179.642 176.870 -0.008 0.000 1.073 191 L CA 1.379 56.194 54.840 -0.042 0.000 0.753 191 L CB -0.593 41.458 42.059 -0.012 0.000 0.890 191 L HN 0.222 nan 8.230 nan 0.000 0.432 192 R N -0.335 120.166 120.500 0.003 0.000 2.148 192 R HA -0.051 4.289 4.340 -0.000 0.000 0.227 192 R C 2.138 178.447 176.300 0.014 0.000 1.103 192 R CA 1.306 57.413 56.100 0.012 0.000 0.983 192 R CB -0.595 29.714 30.300 0.016 0.000 0.874 192 R HN 0.388 nan 8.270 nan 0.000 0.451 193 A N 0.667 123.496 122.820 0.015 0.000 1.975 193 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 193 A C 1.976 179.575 177.584 0.026 0.000 1.170 193 A CA 1.111 53.164 52.037 0.026 0.000 0.656 193 A CB 0.083 19.108 19.000 0.042 0.000 0.821 193 A HN 0.184 nan 8.150 nan 0.000 0.449 194 V N -2.458 117.463 119.914 0.011 0.000 3.528 194 V HA 0.410 4.529 4.120 -0.000 0.000 0.294 194 V C 0.327 176.415 176.094 -0.010 0.000 1.404 194 V CA 0.680 62.981 62.300 0.002 0.000 1.065 194 V CB -0.853 30.952 31.823 -0.029 0.000 0.904 194 V HN 0.699 nan 8.190 nan 0.000 0.435 195 S N -0.647 115.051 115.700 -0.003 0.000 2.625 195 S HA 0.823 5.292 4.470 -0.000 0.000 0.271 195 S C 0.103 174.711 174.600 0.013 0.000 1.161 195 S CA -0.010 58.192 58.200 0.004 0.000 0.820 195 S CB 1.578 64.781 63.200 0.005 0.000 1.137 195 S HN 1.101 nan 8.310 nan 0.000 0.470 196 A N 0.313 123.142 122.820 0.016 0.000 2.460 196 A HA 0.752 5.072 4.320 -0.000 0.000 0.258 196 A C 0.991 178.590 177.584 0.024 0.000 1.300 196 A CA 0.078 52.126 52.037 0.019 0.000 0.913 196 A CB -1.137 17.873 19.000 0.016 0.000 1.031 196 A HN 1.514 nan 8.150 nan 0.000 0.512 197 A N 0.470 123.309 122.820 0.031 0.000 2.498 197 A HA 0.371 4.691 4.320 -0.000 0.000 0.239 197 A C 0.689 178.297 177.584 0.040 0.000 1.068 197 A CA -0.195 51.867 52.037 0.043 0.000 0.766 197 A CB -0.090 18.950 19.000 0.066 0.000 1.003 197 A HN 0.616 nan 8.150 nan 0.000 0.497 198 R N 2.007 122.530 120.500 0.039 0.000 2.347 198 R HA 0.403 4.742 4.340 -0.000 0.000 0.304 198 R C -1.198 175.132 176.300 0.049 0.000 1.072 198 R CA -0.163 55.959 56.100 0.037 0.000 0.980 198 R CB 0.328 30.646 30.300 0.029 0.000 0.986 198 R HN 0.454 nan 8.270 nan 0.000 0.448 199 V N 7.346 127.290 119.914 0.050 0.000 2.370 199 V HA 0.343 4.462 4.120 -0.000 0.000 0.283 199 V C 0.100 176.229 176.094 0.057 0.000 1.023 199 V CA -0.573 61.766 62.300 0.065 0.000 0.857 199 V CB 1.438 33.299 31.823 0.063 0.000 0.985 199 V HN 0.695 nan 8.190 nan 0.000 0.443 200 I N 4.465 125.073 120.570 0.063 0.000 2.362 200 I HA 0.680 4.850 4.170 -0.000 0.000 0.289 200 I C 0.432 176.587 176.117 0.064 0.000 0.994 200 I CA -0.315 61.015 61.300 0.051 0.000 1.158 200 I CB 1.691 39.713 38.000 0.037 0.000 1.315 200 I HN 0.673 nan 8.210 nan 0.000 0.451 201 A N 6.476 129.330 122.820 0.057 0.000 2.312 201 A HA 0.866 5.186 4.320 -0.000 0.000 0.328 201 A C -0.682 176.933 177.584 0.051 0.000 1.158 201 A CA -0.475 51.602 52.037 0.066 0.000 0.821 201 A CB 1.298 20.333 19.000 0.058 0.000 1.170 201 A HN 0.455 nan 8.150 nan 0.000 0.490 202 V N 2.387 122.337 119.914 0.059 0.000 2.638 202 V HA 0.574 4.694 4.120 -0.000 0.000 0.306 202 V C -0.839 175.281 176.094 0.043 0.000 1.052 202 V CA -0.554 61.770 62.300 0.040 0.000 0.885 202 V CB 1.808 33.650 31.823 0.031 0.000 0.999 202 V HN 1.030 nan 8.190 nan 0.000 0.424 203 D N 2.161 122.578 120.400 0.028 0.000 2.599 203 D HA 0.400 5.040 4.640 -0.000 0.000 0.252 203 D C 0.284 176.593 176.300 0.016 0.000 1.232 203 D CA -0.548 53.468 54.000 0.026 0.000 0.819 203 D CB 2.805 43.620 40.800 0.025 0.000 1.401 203 D HN 0.340 nan 8.370 nan 0.000 0.429 204 L N 0.279 121.511 121.223 0.015 0.000 2.418 204 L HA 0.052 4.392 4.340 -0.000 0.000 0.218 204 L C 0.624 177.500 176.870 0.011 0.000 1.125 204 L CA 0.683 55.530 54.840 0.011 0.000 0.835 204 L CB 0.059 42.126 42.059 0.013 0.000 0.953 204 L HN 0.243 nan 8.230 nan 0.000 0.454 205 D N -0.826 119.580 120.400 0.011 0.000 2.308 205 D HA 0.074 4.714 4.640 -0.000 0.000 0.242 205 D C 0.431 176.735 176.300 0.006 0.000 1.059 205 D CA -0.410 53.596 54.000 0.009 0.000 0.830 205 D CB 1.500 42.306 40.800 0.010 0.000 1.161 205 D HN -0.141 nan 8.370 nan 0.000 0.494 206 D N 2.243 122.647 120.400 0.006 0.000 2.158 206 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 206 D C 1.134 177.435 176.300 0.002 0.000 0.995 206 D CA 1.078 55.081 54.000 0.004 0.000 0.846 206 D CB 0.127 40.930 40.800 0.004 0.000 0.941 206 D HN 0.599 nan 8.370 nan 0.000 0.456 207 D N -0.304 120.096 120.400 0.000 0.000 2.183 207 D HA -0.091 4.549 4.640 -0.000 0.000 0.203 207 D C 1.832 178.124 176.300 -0.014 0.000 0.969 207 D CA 0.674 54.671 54.000 -0.004 0.000 0.842 207 D CB 0.256 41.055 40.800 -0.003 0.000 0.957 207 D HN -0.116 nan 8.370 nan 0.000 0.484 208 R N -0.022 120.471 120.500 -0.012 0.000 2.115 208 R HA 0.035 4.374 4.340 -0.000 0.000 0.226 208 R C 2.406 178.698 176.300 -0.013 0.000 1.100 208 R CA 0.334 56.422 56.100 -0.019 0.000 0.980 208 R CB -0.849 29.446 30.300 -0.008 0.000 0.875 208 R HN 0.359 nan 8.270 nan 0.000 0.445 209 L N 0.236 121.458 121.223 -0.002 0.000 2.083 209 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 209 L C 2.560 179.429 176.870 -0.002 0.000 1.083 209 L CA 1.389 56.231 54.840 0.003 0.000 0.752 209 L CB -0.676 41.388 42.059 0.007 0.000 0.899 209 L HN 0.133 nan 8.230 nan 0.000 0.433 210 A N 0.131 122.948 122.820 -0.005 0.000 1.877 210 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 210 A C 2.206 179.781 177.584 -0.016 0.000 1.186 210 A CA 1.622 53.656 52.037 -0.005 0.000 0.620 210 A CB -0.716 18.284 19.000 -0.001 0.000 0.822 210 A HN 0.322 nan 8.150 nan 0.000 0.443 211 L N 0.004 121.203 121.223 -0.041 0.000 2.043 211 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 211 L C 2.632 179.456 176.870 -0.076 0.000 1.075 211 L CA 2.318 57.100 54.840 -0.096 0.000 0.752 211 L CB -0.906 41.062 42.059 -0.150 0.000 0.891 211 L HN 0.365 nan 8.230 nan 0.000 0.432 212 A N -0.496 122.304 122.820 -0.034 0.000 1.883 212 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 212 A C 2.293 179.879 177.584 0.003 0.000 1.186 212 A CA 1.757 53.790 52.037 -0.006 0.000 0.624 212 A CB -0.526 18.482 19.000 0.013 0.000 0.822 212 A HN 0.465 nan 8.150 nan 0.000 0.444 213 R N -0.009 120.494 120.500 0.004 0.000 2.092 213 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 213 R C 1.855 178.166 176.300 0.018 0.000 1.119 213 R CA 1.557 57.665 56.100 0.013 0.000 0.970 213 R CB -0.922 29.385 30.300 0.013 0.000 0.864 213 R HN 0.767 nan 8.270 nan 0.000 0.440 214 E N 0.575 120.783 120.200 0.013 0.000 2.118 214 E HA -0.128 4.221 4.350 -0.000 0.000 0.195 214 E C 1.589 178.223 176.600 0.057 0.000 0.992 214 E CA 1.617 58.041 56.400 0.040 0.000 0.804 214 E CB 0.017 29.750 29.700 0.054 0.000 0.741 214 E HN 0.264 nan 8.360 nan 0.000 0.458 215 V N -3.386 116.545 119.914 0.029 0.000 3.514 215 V HA 0.471 4.591 4.120 -0.000 0.000 0.301 215 V C 1.046 177.159 176.094 0.032 0.000 1.346 215 V CA 0.462 62.790 62.300 0.047 0.000 1.156 215 V CB 0.080 31.922 31.823 0.031 0.000 1.029 215 V HN 0.303 nan 8.190 nan 0.000 0.428 216 G N -0.511 108.306 108.800 0.028 0.000 2.229 216 G HA2 0.009 3.969 3.960 -0.000 0.000 0.189 216 G HA3 0.009 3.969 3.960 -0.000 0.000 0.189 216 G C 0.464 175.379 174.900 0.025 0.000 1.000 216 G CA -0.044 45.072 45.100 0.026 0.000 0.663 216 G HN 1.570 nan 8.290 nan 0.000 0.493 217 A N 0.713 123.548 122.820 0.025 0.000 2.540 217 A HA 0.455 4.775 4.320 -0.000 0.000 0.239 217 A C 1.244 178.844 177.584 0.027 0.000 1.061 217 A CA 1.076 53.131 52.037 0.030 0.000 0.758 217 A CB 0.214 19.233 19.000 0.032 0.000 0.991 217 A HN 0.267 nan 8.150 nan 0.000 0.502 218 D N 0.902 121.320 120.400 0.029 0.000 2.194 218 D HA 0.179 4.818 4.640 -0.000 0.000 0.204 218 D C 0.777 177.091 176.300 0.022 0.000 0.964 218 D CA 1.824 55.839 54.000 0.025 0.000 0.846 218 D CB 0.186 41.001 40.800 0.025 0.000 0.962 218 D HN 0.702 nan 8.370 nan 0.000 0.490 219 A N -0.131 122.704 122.820 0.025 0.000 2.556 219 A HA 0.718 5.038 4.320 -0.000 0.000 0.294 219 A C -1.516 176.082 177.584 0.023 0.000 1.091 219 A CA -0.390 51.660 52.037 0.021 0.000 0.704 219 A CB 2.178 21.190 19.000 0.019 0.000 1.300 219 A HN 0.047 nan 8.150 nan 0.000 0.406 220 A N 0.462 123.294 122.820 0.019 0.000 2.398 220 A HA 0.724 5.044 4.320 -0.000 0.000 0.301 220 A C -1.278 176.315 177.584 0.015 0.000 1.041 220 A CA -0.448 51.600 52.037 0.020 0.000 0.711 220 A CB 1.435 20.445 19.000 0.017 0.000 1.240 220 A HN 1.437 nan 8.150 nan 0.000 0.420 221 V N 1.904 121.828 119.914 0.016 0.000 2.735 221 V HA 0.436 4.556 4.120 -0.000 0.000 0.310 221 V C -0.130 175.970 176.094 0.010 0.000 1.061 221 V CA -0.886 61.421 62.300 0.011 0.000 0.913 221 V CB 2.083 33.912 31.823 0.009 0.000 1.005 221 V HN 0.938 nan 8.190 nan 0.000 0.428 222 K N 2.340 122.744 120.400 0.006 0.000 2.368 222 K HA 0.333 4.653 4.320 -0.000 0.000 0.282 222 K C 0.347 176.948 176.600 0.002 0.000 1.035 222 K CA 0.569 56.859 56.287 0.005 0.000 0.973 222 K CB 1.004 33.506 32.500 0.003 0.000 0.957 222 K HN 0.775 nan 8.250 nan 0.000 0.474 223 S N 2.267 117.969 115.700 0.003 0.000 2.596 223 S HA 0.618 5.088 4.470 -0.000 0.000 0.260 223 S C 0.258 174.853 174.600 -0.008 0.000 1.336 223 S CA 0.702 58.900 58.200 -0.003 0.000 0.993 223 S CB -0.033 63.166 63.200 -0.001 0.000 0.923 223 S HN 0.972 nan 8.310 nan 0.000 0.567 224 G N 0.772 109.562 108.800 -0.015 0.000 2.384 224 G HA2 0.151 4.111 3.960 -0.000 0.000 0.204 224 G HA3 0.151 4.111 3.960 -0.000 0.000 0.204 224 G C 0.616 175.504 174.900 -0.020 0.000 1.237 224 G CA -0.002 45.088 45.100 -0.018 0.000 1.060 224 G HN 1.385 nan 8.290 nan 0.000 0.514 225 A N -0.671 122.138 122.820 -0.018 0.000 2.019 225 A HA 0.340 4.659 4.320 -0.000 0.000 0.219 225 A C 2.551 180.125 177.584 -0.017 0.000 1.164 225 A CA 2.663 54.689 52.037 -0.019 0.000 0.644 225 A CB -0.726 18.265 19.000 -0.016 0.000 0.805 225 A HN 2.251 nan 8.150 nan 0.000 0.449 226 G N -1.573 107.219 108.800 -0.014 0.000 2.939 226 G HA2 0.295 4.255 3.960 -0.000 0.000 0.210 226 G HA3 0.295 4.255 3.960 -0.000 0.000 0.210 226 G C 1.425 176.317 174.900 -0.012 0.000 1.160 226 G CA 0.927 46.020 45.100 -0.012 0.000 0.770 226 G HN 0.641 nan 8.290 nan 0.000 0.543 227 A N 1.514 124.325 122.820 -0.014 0.000 1.877 227 A HA 0.222 4.542 4.320 -0.000 0.000 0.216 227 A C 2.794 180.368 177.584 -0.017 0.000 1.186 227 A CA 2.176 54.205 52.037 -0.013 0.000 0.620 227 A CB -0.805 18.186 19.000 -0.015 0.000 0.822 227 A HN 0.678 nan 8.150 nan 0.000 0.443 228 A N 0.047 122.853 122.820 -0.023 0.000 1.883 228 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 228 A C 1.796 179.367 177.584 -0.022 0.000 1.186 228 A CA 2.052 54.073 52.037 -0.027 0.000 0.624 228 A CB -0.694 18.287 19.000 -0.032 0.000 0.822 228 A HN 0.469 nan 8.150 nan 0.000 0.444 229 D N -0.211 120.179 120.400 -0.018 0.000 2.144 229 D HA -0.011 4.629 4.640 -0.000 0.000 0.200 229 D C 2.189 178.483 176.300 -0.011 0.000 0.978 229 D CA 1.406 55.397 54.000 -0.015 0.000 0.833 229 D CB -0.356 40.437 40.800 -0.013 0.000 0.961 229 D HN 0.442 nan 8.370 nan 0.000 0.470 230 A N 0.510 123.324 122.820 -0.010 0.000 1.897 230 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 230 A C 2.339 179.920 177.584 -0.005 0.000 1.181 230 A CA 0.649 52.682 52.037 -0.006 0.000 0.620 230 A CB -0.577 18.421 19.000 -0.004 0.000 0.821 230 A HN 0.164 nan 8.150 nan 0.000 0.443 231 I N -0.668 119.897 120.570 -0.008 0.000 2.226 231 I HA -0.263 3.906 4.170 -0.000 0.000 0.245 231 I C 2.713 178.824 176.117 -0.009 0.000 1.100 231 I CA 1.249 62.545 61.300 -0.008 0.000 1.374 231 I CB -0.298 37.694 38.000 -0.013 0.000 1.057 231 I HN 0.269 nan 8.210 nan 0.000 0.413 232 R N 0.272 120.764 120.500 -0.013 0.000 2.120 232 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 232 R C 2.169 178.464 176.300 -0.008 0.000 1.123 232 R CA 1.244 57.337 56.100 -0.013 0.000 0.975 232 R CB -0.309 29.981 30.300 -0.016 0.000 0.866 232 R HN 0.261 nan 8.270 nan 0.000 0.446 233 E N 1.097 121.293 120.200 -0.007 0.000 2.153 233 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 233 E C 1.748 178.347 176.600 -0.001 0.000 0.988 233 E CA 1.021 57.419 56.400 -0.004 0.000 0.811 233 E CB -0.061 29.637 29.700 -0.003 0.000 0.746 233 E HN 0.256 nan 8.360 nan 0.000 0.466 234 L N -0.449 120.774 121.223 -0.000 0.000 2.240 234 L HA -0.010 4.330 4.340 -0.000 0.000 0.211 234 L C 2.202 179.074 176.870 0.003 0.000 1.106 234 L CA 1.480 56.322 54.840 0.003 0.000 0.793 234 L CB -0.245 41.817 42.059 0.005 0.000 0.927 234 L HN 0.235 nan 8.230 nan 0.000 0.446 235 T N -3.285 111.268 114.554 -0.000 0.000 3.086 235 T HA 0.383 4.733 4.350 -0.000 0.000 0.250 235 T C 1.018 175.717 174.700 -0.002 0.000 1.074 235 T CA 0.208 62.307 62.100 -0.001 0.000 0.988 235 T CB 0.078 68.943 68.868 -0.005 0.000 0.988 235 T HN 0.373 nan 8.240 nan 0.000 0.530 236 G N 0.349 109.147 108.800 -0.003 0.000 2.916 236 G HA2 0.036 3.995 3.960 -0.000 0.000 0.533 236 G HA3 0.036 3.995 3.960 -0.000 0.000 0.533 236 G C 0.802 175.698 174.900 -0.007 0.000 1.516 236 G CA -0.476 44.622 45.100 -0.003 0.000 0.944 236 G HN 0.913 nan 8.290 nan 0.000 0.555 237 G N -0.446 108.349 108.800 -0.008 0.000 2.687 237 G HA2 0.070 4.030 3.960 -0.000 0.000 0.209 237 G HA3 0.070 4.030 3.960 -0.000 0.000 0.209 237 G C 1.514 176.406 174.900 -0.014 0.000 1.146 237 G CA 1.620 46.713 45.100 -0.012 0.000 0.787 237 G HN 0.750 nan 8.290 nan 0.000 0.532 238 Q N 0.223 120.016 119.800 -0.011 0.000 2.172 238 Q HA 0.183 4.523 4.340 -0.000 0.000 0.200 238 Q C 1.541 177.530 176.000 -0.019 0.000 0.964 238 Q CA 0.759 56.555 55.803 -0.012 0.000 0.855 238 Q CB -0.749 27.985 28.738 -0.006 0.000 0.918 238 Q HN 0.656 nan 8.270 nan 0.000 0.444 239 G N 0.392 109.180 108.800 -0.020 0.000 2.757 239 G HA2 0.033 3.993 3.960 -0.000 0.000 0.638 239 G HA3 0.033 3.993 3.960 -0.000 0.000 0.638 239 G C -0.768 174.116 174.900 -0.026 0.000 1.344 239 G CA -0.458 44.625 45.100 -0.028 0.000 0.855 239 G HN 0.598 nan 8.290 nan 0.000 0.537 240 A N -0.306 122.492 122.820 -0.036 0.000 2.301 240 A HA 0.749 5.069 4.320 -0.000 0.000 0.298 240 A C 1.520 179.077 177.584 -0.044 0.000 1.185 240 A CA 0.976 52.992 52.037 -0.035 0.000 0.830 240 A CB 0.622 19.595 19.000 -0.045 0.000 1.112 240 A HN 1.631 nan 8.150 nan 0.000 0.508 241 T N 1.515 116.053 114.554 -0.027 0.000 2.684 241 T HA 0.111 4.461 4.350 -0.000 0.000 0.267 241 T C 0.908 175.574 174.700 -0.056 0.000 1.036 241 T CA 1.963 64.048 62.100 -0.024 0.000 1.148 241 T CB -0.164 68.705 68.868 0.001 0.000 0.863 241 T HN 1.242 nan 8.240 nan 0.000 0.436 242 A N 0.385 123.149 122.820 -0.094 0.000 2.486 242 A HA 0.661 4.981 4.320 -0.000 0.000 0.300 242 A C -1.264 176.099 177.584 -0.369 0.000 1.048 242 A CA -0.669 51.213 52.037 -0.258 0.000 0.696 242 A CB 1.812 20.630 19.000 -0.304 0.000 1.278 242 A HN 0.111 nan 8.150 nan 0.000 0.405 243 V N 1.950 121.552 119.914 -0.519 0.000 2.409 243 V HA 0.469 4.589 4.120 -0.000 0.000 0.291 243 V C -1.323 174.379 176.094 -0.653 0.000 1.020 243 V CA -0.210 61.832 62.300 -0.429 0.000 0.848 243 V CB 0.850 32.512 31.823 -0.269 0.000 0.990 243 V HN 0.673 nan 8.190 nan 0.000 0.430 244 F N 2.727 122.569 119.950 -0.181 0.000 2.334 244 F HA 0.412 4.939 4.527 -0.000 0.000 0.367 244 F C 0.381 175.838 175.800 -0.571 0.000 1.115 244 F CA -0.753 57.004 58.000 -0.405 0.000 1.116 244 F CB 1.027 39.796 39.000 -0.385 0.000 1.230 244 F HN 0.421 nan 8.300 nan 0.000 0.484 245 D N 3.602 123.765 120.400 -0.395 0.000 2.456 245 D HA 0.169 4.809 4.640 -0.000 0.000 0.219 245 D C 0.055 176.178 176.300 -0.294 0.000 1.126 245 D CA -0.280 53.559 54.000 -0.268 0.000 0.890 245 D CB 0.161 40.858 40.800 -0.172 0.000 1.025 245 D HN 0.276 nan 8.370 nan 0.000 0.511 246 F N 2.379 122.364 119.950 0.058 0.000 2.731 246 F HA 0.079 4.606 4.527 -0.000 0.000 0.304 246 F C 1.738 177.541 175.800 0.005 0.000 1.133 246 F CA -0.176 57.849 58.000 0.040 0.000 1.380 246 F CB 0.232 39.259 39.000 0.044 0.000 1.079 246 F HN 0.254 nan 8.300 nan 0.000 0.550 247 V N -0.816 119.161 119.914 0.106 0.000 2.627 247 V HA 0.296 4.416 4.120 -0.000 0.000 0.239 247 V C 2.023 178.145 176.094 0.046 0.000 1.077 247 V CA 0.944 63.278 62.300 0.057 0.000 1.103 247 V CB -0.654 31.184 31.823 0.024 0.000 0.802 247 V HN 0.319 nan 8.190 nan 0.000 0.482 248 G N 0.787 109.585 108.800 -0.003 0.000 2.153 248 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.252 248 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.252 248 G C 0.293 175.173 174.900 -0.034 0.000 0.994 248 G CA 0.471 45.565 45.100 -0.009 0.000 0.698 248 G HN 1.042 nan 8.290 nan 0.000 0.521 249 A N -0.996 121.735 122.820 -0.150 0.000 2.313 249 A HA 0.701 5.021 4.320 -0.000 0.000 0.261 249 A C 1.371 178.811 177.584 -0.240 0.000 1.090 249 A CA 1.072 52.867 52.037 -0.404 0.000 0.807 249 A CB 0.496 19.173 19.000 -0.538 0.000 1.055 249 A HN 0.545 nan 8.150 nan 0.000 0.492 250 Q N 0.825 120.481 119.800 -0.240 0.000 2.124 250 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 250 Q C 2.194 178.104 176.000 -0.151 0.000 0.977 250 Q CA 2.835 58.531 55.803 -0.178 0.000 0.850 250 Q CB -0.477 28.166 28.738 -0.158 0.000 0.901 250 Q HN 0.971 nan 8.270 nan 0.000 0.429 251 S N -1.116 114.498 115.700 -0.144 0.000 2.359 251 S HA -0.211 4.259 4.470 -0.000 0.000 0.224 251 S C 2.072 176.613 174.600 -0.098 0.000 1.035 251 S CA 1.812 59.948 58.200 -0.107 0.000 1.018 251 S CB -1.388 61.756 63.200 -0.093 0.000 0.876 251 S HN 0.628 nan 8.310 nan 0.000 0.448 252 T N 0.786 115.276 114.554 -0.106 0.000 2.857 252 T HA 0.139 4.489 4.350 -0.000 0.000 0.266 252 T C 1.871 176.513 174.700 -0.097 0.000 1.048 252 T CA 1.013 63.061 62.100 -0.087 0.000 1.139 252 T CB -0.833 67.991 68.868 -0.074 0.000 0.874 252 T HN 0.424 nan 8.240 nan 0.000 0.455 253 I N 1.878 122.381 120.570 -0.112 0.000 2.226 253 I HA -0.144 4.025 4.170 -0.000 0.000 0.245 253 I C 2.399 178.449 176.117 -0.113 0.000 1.100 253 I CA 1.475 62.704 61.300 -0.118 0.000 1.374 253 I CB -0.440 37.485 38.000 -0.125 0.000 1.057 253 I HN 0.156 nan 8.210 nan 0.000 0.413 254 D N 0.541 120.875 120.400 -0.109 0.000 2.092 254 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 254 D C 2.230 178.482 176.300 -0.081 0.000 0.994 254 D CA 1.715 55.659 54.000 -0.093 0.000 0.828 254 D CB -0.570 40.178 40.800 -0.086 0.000 0.963 254 D HN 0.224 nan 8.370 nan 0.000 0.450 255 T N 0.744 115.252 114.554 -0.076 0.000 2.665 255 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 255 T C 1.970 176.624 174.700 -0.076 0.000 1.035 255 T CA 1.801 63.861 62.100 -0.066 0.000 1.151 255 T CB -0.401 68.433 68.868 -0.058 0.000 0.862 255 T HN 0.230 nan 8.240 nan 0.000 0.438 256 A N 1.284 124.048 122.820 -0.094 0.000 1.908 256 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 256 A C 2.271 179.786 177.584 -0.115 0.000 1.181 256 A CA 1.590 53.558 52.037 -0.116 0.000 0.627 256 A CB -0.635 18.277 19.000 -0.146 0.000 0.818 256 A HN 0.575 nan 8.150 nan 0.000 0.445 257 Q N -0.832 118.905 119.800 -0.106 0.000 2.224 257 Q HA -0.183 4.157 4.340 -0.000 0.000 0.203 257 Q C 2.039 177.989 176.000 -0.082 0.000 0.970 257 Q CA 1.431 57.176 55.803 -0.098 0.000 0.865 257 Q CB -0.142 28.543 28.738 -0.089 0.000 0.922 257 Q HN 0.788 nan 8.270 nan 0.000 0.445 258 Q N -0.154 119.602 119.800 -0.072 0.000 2.378 258 Q HA -0.055 4.285 4.340 -0.000 0.000 0.205 258 Q C 1.903 177.868 176.000 -0.057 0.000 0.954 258 Q CA 1.111 56.879 55.803 -0.059 0.000 0.901 258 Q CB 0.450 29.158 28.738 -0.050 0.000 0.981 258 Q HN 0.341 nan 8.270 nan 0.000 0.483 259 V N -4.665 115.210 119.914 -0.065 0.000 3.635 259 V HA 0.230 4.349 4.120 -0.000 0.000 0.266 259 V C 0.816 176.869 176.094 -0.067 0.000 1.316 259 V CA -0.425 61.840 62.300 -0.059 0.000 1.060 259 V CB 0.405 32.196 31.823 -0.052 0.000 0.820 259 V HN -0.004 nan 8.190 nan 0.000 0.447 260 V N 2.481 122.344 119.914 -0.085 0.000 2.740 260 V HA 0.625 4.745 4.120 -0.000 0.000 0.303 260 V C 1.045 177.096 176.094 -0.072 0.000 1.054 260 V CA 0.408 62.653 62.300 -0.092 0.000 1.106 260 V CB 0.831 32.582 31.823 -0.121 0.000 0.957 260 V HN 0.787 nan 8.190 nan 0.000 0.486 261 A N 5.850 128.634 122.820 -0.059 0.000 2.313 261 A HA 0.568 4.888 4.320 -0.000 0.000 0.261 261 A C 0.007 177.570 177.584 -0.035 0.000 1.090 261 A CA -0.423 51.590 52.037 -0.041 0.000 0.807 261 A CB 0.540 19.524 19.000 -0.026 0.000 1.055 261 A HN 0.917 nan 8.150 nan 0.000 0.492 262 V N 1.939 121.839 119.914 -0.023 0.000 2.694 262 V HA 0.075 4.195 4.120 -0.000 0.000 0.306 262 V C 0.966 177.071 176.094 0.018 0.000 1.054 262 V CA 1.674 63.976 62.300 0.004 0.000 1.161 262 V CB 0.324 32.163 31.823 0.027 0.000 0.916 262 V HN 1.139 nan 8.190 nan 0.000 0.490 263 D N 2.545 122.964 120.400 0.031 0.000 2.945 263 D HA -0.138 4.502 4.640 -0.000 0.000 0.225 263 D C 0.558 176.865 176.300 0.011 0.000 1.158 263 D CA 1.333 55.348 54.000 0.024 0.000 0.805 263 D CB -0.950 39.866 40.800 0.026 0.000 1.098 263 D HN 0.861 nan 8.370 nan 0.000 0.426 264 G N -1.364 107.436 108.800 0.001 0.000 2.782 264 G HA2 0.563 4.522 3.960 -0.000 0.000 0.201 264 G HA3 0.563 4.522 3.960 -0.000 0.000 0.201 264 G C -0.786 174.136 174.900 0.036 0.000 1.374 264 G CA -0.184 44.916 45.100 -0.001 0.000 1.039 264 G HN 0.377 nan 8.290 nan 0.000 0.576 265 H N -1.768 117.215 119.070 -0.145 0.000 3.029 265 H HA 0.543 5.099 4.556 -0.000 0.000 0.358 265 H C -1.314 173.855 175.328 -0.264 0.000 1.129 265 H CA -0.664 55.274 56.048 -0.182 0.000 1.230 265 H CB 1.395 31.047 29.762 -0.184 0.000 1.827 265 H HN 0.303 nan 8.280 nan 0.000 0.530 266 I N 3.667 123.750 120.570 -0.812 0.000 2.389 266 I HA 0.252 4.422 4.170 -0.000 0.000 0.288 266 I C -0.293 175.304 176.117 -0.868 0.000 0.999 266 I CA -0.612 60.266 61.300 -0.704 0.000 1.129 266 I CB 1.795 39.560 38.000 -0.392 0.000 1.288 266 I HN 0.453 nan 8.210 nan 0.000 0.444 267 S N 5.918 121.237 115.700 -0.635 0.000 2.448 267 S HA 0.415 4.885 4.470 -0.000 0.000 0.320 267 S C -0.381 174.105 174.600 -0.189 0.000 1.071 267 S CA -0.522 57.519 58.200 -0.264 0.000 1.113 267 S CB 0.654 63.909 63.200 0.091 0.000 0.972 267 S HN 0.338 nan 8.310 nan 0.000 0.465 268 V N 7.380 127.220 119.914 -0.122 0.000 2.322 268 V HA 0.178 4.298 4.120 -0.000 0.000 0.258 268 V C 0.885 176.964 176.094 -0.025 0.000 1.074 268 V CA -0.117 62.130 62.300 -0.088 0.000 0.909 268 V CB 0.654 32.441 31.823 -0.059 0.000 1.090 268 V HN 0.845 nan 8.190 nan 0.000 0.486 269 V N 3.606 123.490 119.914 -0.050 0.000 2.672 269 V HA 0.228 4.348 4.120 -0.000 0.000 0.242 269 V C 1.692 177.833 176.094 0.078 0.000 1.059 269 V CA 1.005 63.334 62.300 0.049 0.000 1.081 269 V CB -0.280 31.588 31.823 0.074 0.000 0.752 269 V HN 0.817 nan 8.190 nan 0.000 0.472 270 G N 0.590 109.426 108.800 0.061 0.000 2.554 270 G HA2 0.422 4.382 3.960 -0.000 0.000 0.238 270 G HA3 0.422 4.382 3.960 -0.000 0.000 0.238 270 G C -0.561 174.350 174.900 0.019 0.000 1.259 270 G CA -0.085 45.053 45.100 0.063 0.000 0.843 270 G HN 0.314 nan 8.290 nan 0.000 0.582 271 I N 0.991 121.550 120.570 -0.020 0.000 2.382 271 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 271 I C -0.731 175.367 176.117 -0.031 0.000 1.002 271 I CA -0.580 60.642 61.300 -0.130 0.000 1.135 271 I CB 1.778 39.530 38.000 -0.413 0.000 1.288 271 I HN 0.529 nan 8.210 nan 0.000 0.448 272 H N 4.452 123.515 119.070 -0.011 0.000 2.840 272 H HA 0.563 5.118 4.556 -0.000 0.000 0.340 272 H C -0.230 175.198 175.328 0.168 0.000 1.004 272 H CA -0.446 55.679 56.048 0.129 0.000 1.288 272 H CB 1.715 31.519 29.762 0.070 0.000 1.607 272 H HN 0.738 nan 8.280 nan 0.000 0.522 273 A N 3.017 126.039 122.820 0.337 0.000 2.545 273 A HA 0.406 4.726 4.320 -0.000 0.000 0.253 273 A C 1.573 179.293 177.584 0.226 0.000 1.074 273 A CA 1.059 53.273 52.037 0.296 0.000 0.760 273 A CB -0.928 18.218 19.000 0.243 0.000 1.005 273 A HN 1.366 nan 8.150 nan 0.000 0.506 274 G N 1.372 110.286 108.800 0.189 0.000 2.241 274 G HA2 0.100 4.060 3.960 -0.000 0.000 0.244 274 G HA3 0.100 4.060 3.960 -0.000 0.000 0.244 274 G C 0.711 175.762 174.900 0.251 0.000 0.998 274 G CA 0.440 45.654 45.100 0.189 0.000 0.621 274 G HN 2.246 nan 8.290 nan 0.000 0.519 275 A N 1.818 124.751 122.820 0.188 0.000 2.462 275 A HA 0.615 4.935 4.320 -0.000 0.000 0.243 275 A C 0.457 178.119 177.584 0.129 0.000 1.076 275 A CA 0.985 53.071 52.037 0.082 0.000 0.773 275 A CB -0.014 19.009 19.000 0.038 0.000 1.010 275 A HN 1.809 nan 8.150 nan 0.000 0.493 276 H N -0.857 118.210 119.070 -0.004 0.000 3.094 276 H HA 0.627 5.183 4.556 -0.000 0.000 0.346 276 H C -0.626 174.684 175.328 -0.031 0.000 1.238 276 H CA -0.293 55.746 56.048 -0.014 0.000 1.209 276 H CB 0.704 30.463 29.762 -0.005 0.000 1.911 276 H HN 0.901 nan 8.280 nan 0.000 0.540 277 A N 2.149 124.990 122.820 0.035 0.000 2.386 277 A HA 0.389 4.709 4.320 -0.000 0.000 0.248 277 A C -0.106 177.524 177.584 0.076 0.000 1.082 277 A CA -0.563 51.463 52.037 -0.017 0.000 0.789 277 A CB 0.291 19.264 19.000 -0.045 0.000 1.025 277 A HN 0.613 nan 8.150 nan 0.000 0.490 278 K N 1.506 121.920 120.400 0.023 0.000 2.464 278 K HA 0.451 4.771 4.320 -0.000 0.000 0.252 278 K C -1.481 175.122 176.600 0.006 0.000 1.000 278 K CA -0.344 55.979 56.287 0.061 0.000 0.951 278 K CB 1.674 34.204 32.500 0.049 0.000 1.183 278 K HN 0.344 nan 8.250 nan 0.000 0.445 279 V N 2.398 122.311 119.914 -0.002 0.000 2.294 279 V HA 0.623 4.743 4.120 -0.000 0.000 0.272 279 V C 0.356 176.409 176.094 -0.068 0.000 1.027 279 V CA -0.628 61.640 62.300 -0.054 0.000 0.823 279 V CB 0.987 32.772 31.823 -0.063 0.000 1.030 279 V HN 0.929 nan 8.190 nan 0.000 0.457 280 G N 2.884 111.628 108.800 -0.094 0.000 2.601 280 G HA2 0.585 4.545 3.960 -0.000 0.000 0.291 280 G HA3 0.585 4.545 3.960 -0.000 0.000 0.291 280 G C -1.181 173.655 174.900 -0.107 0.000 1.456 280 G CA -0.790 44.266 45.100 -0.074 0.000 0.804 280 G HN 0.265 nan 8.290 nan 0.000 0.499 281 F N 0.349 120.306 119.950 0.012 0.000 2.563 281 F HA 0.348 4.875 4.527 -0.000 0.000 0.363 281 F C 1.360 177.141 175.800 -0.032 0.000 1.123 281 F CA 1.203 59.131 58.000 -0.120 0.000 1.307 281 F CB 0.139 39.006 39.000 -0.221 0.000 1.115 281 F HN 0.500 nan 8.300 nan 0.000 0.592 282 F N -0.657 119.391 119.950 0.164 0.000 2.748 282 F HA -0.366 4.161 4.527 -0.000 0.000 0.370 282 F C 1.149 176.947 175.800 -0.003 0.000 0.620 282 F CA 0.872 58.901 58.000 0.049 0.000 1.233 282 F CB -1.797 37.246 39.000 0.072 0.000 1.708 282 F HN 0.482 nan 8.300 nan 0.000 0.298 283 M N -0.816 118.848 119.600 0.106 0.000 2.308 283 M HA 0.420 4.900 4.480 -0.000 0.000 0.269 283 M C 0.195 176.477 176.300 -0.031 0.000 1.040 283 M CA 0.557 55.882 55.300 0.041 0.000 1.024 283 M CB 1.453 34.080 32.600 0.045 0.000 1.465 283 M HN 0.211 nan 8.290 nan 0.000 0.517 284 I N -0.183 120.340 120.570 -0.078 0.000 2.908 284 I HA 0.412 4.581 4.170 -0.000 0.000 0.300 284 I C -2.603 173.417 176.117 -0.161 0.000 1.385 284 I CA -2.010 59.223 61.300 -0.112 0.000 1.004 284 I CB 2.495 40.426 38.000 -0.115 0.000 1.309 284 I HN -0.172 nan 8.210 nan 0.000 0.449 285 P HA 0.179 nan 4.420 nan 0.000 0.269 285 P C -0.961 176.270 177.300 -0.116 0.000 1.215 285 P CA -0.022 62.959 63.100 -0.198 0.000 0.780 285 P CB 0.166 31.790 31.700 -0.126 0.000 0.898 286 F N 1.088 120.986 119.950 -0.087 0.000 2.623 286 F HA 0.204 4.731 4.527 -0.000 0.000 0.383 286 F C 1.989 177.742 175.800 -0.078 0.000 1.077 286 F CA 1.229 59.177 58.000 -0.086 0.000 1.268 286 F CB -1.322 37.660 39.000 -0.029 0.000 1.053 286 F HN 0.674 nan 8.300 nan 0.000 0.571 287 G N 1.711 110.577 108.800 0.109 0.000 2.168 287 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.263 287 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.263 287 G C 0.219 175.128 174.900 0.014 0.000 0.977 287 G CA -0.006 45.118 45.100 0.040 0.000 0.659 287 G HN 1.162 nan 8.290 nan 0.000 0.533 288 A N 0.772 123.587 122.820 -0.009 0.000 2.343 288 A HA 0.707 5.027 4.320 -0.000 0.000 0.305 288 A C 0.837 178.397 177.584 -0.039 0.000 1.308 288 A CA 0.818 52.838 52.037 -0.029 0.000 0.949 288 A CB 0.182 19.146 19.000 -0.061 0.000 1.148 288 A HN 1.819 nan 8.150 nan 0.000 0.545 289 S N 1.758 117.467 115.700 0.015 0.000 2.601 289 S HA 0.684 5.154 4.470 -0.000 0.000 0.271 289 S C -0.158 174.414 174.600 -0.047 0.000 1.305 289 S CA -0.535 57.686 58.200 0.035 0.000 1.022 289 S CB 1.285 64.560 63.200 0.124 0.000 0.940 289 S HN 0.745 nan 8.310 nan 0.000 0.525 290 V N 1.707 121.579 119.914 -0.070 0.000 2.789 290 V HA 0.858 4.977 4.120 -0.000 0.000 0.311 290 V C -0.513 175.548 176.094 -0.055 0.000 1.073 290 V CA -0.714 61.490 62.300 -0.161 0.000 0.921 290 V CB 1.651 33.394 31.823 -0.133 0.000 1.009 290 V HN 0.899 nan 8.190 nan 0.000 0.426 291 V N 2.847 122.724 119.914 -0.062 0.000 3.120 291 V HA 0.698 4.817 4.120 -0.000 0.000 0.303 291 V C -0.442 175.680 176.094 0.046 0.000 1.238 291 V CA -0.097 62.229 62.300 0.043 0.000 1.008 291 V CB 3.055 34.967 31.823 0.148 0.000 1.064 291 V HN 1.078 nan 8.190 nan 0.000 0.434 292 T N 3.649 118.253 114.554 0.083 0.000 2.853 292 T HA 0.649 4.999 4.350 -0.000 0.000 0.317 292 T C -2.282 172.548 174.700 0.217 0.000 1.059 292 T CA -1.370 60.797 62.100 0.113 0.000 0.954 292 T CB 0.981 69.899 68.868 0.082 0.000 0.994 292 T HN 0.622 nan 8.240 nan 0.000 0.479 293 P HA 0.323 nan 4.420 nan 0.000 0.278 293 P C -1.516 176.076 177.300 0.487 0.000 1.258 293 P CA -0.648 62.731 63.100 0.465 0.000 0.811 293 P CB 0.725 32.695 31.700 0.451 0.000 1.063 294 Y N 2.032 122.557 120.300 0.374 0.000 2.326 294 Y HA 0.385 4.935 4.550 -0.000 0.000 0.329 294 Y C 0.391 176.352 175.900 0.102 0.000 0.973 294 Y CA -0.630 57.576 58.100 0.177 0.000 1.162 294 Y CB 0.304 38.850 38.460 0.143 0.000 1.147 294 Y HN 0.560 nan 8.280 nan 0.000 0.456 295 W N 3.387 124.443 121.300 -0.407 0.000 2.152 295 W HA -0.176 4.484 4.660 -0.000 0.000 0.285 295 W C 0.215 176.492 176.519 -0.404 0.000 1.275 295 W CA 2.143 59.158 57.345 -0.549 0.000 1.220 295 W CB -1.344 27.473 29.460 -1.072 0.000 0.889 295 W HN 1.108 nan 8.180 nan 0.000 0.529 296 G N -1.486 107.200 108.800 -0.190 0.000 2.600 296 G HA2 0.555 4.515 3.960 -0.000 0.000 0.293 296 G HA3 0.555 4.515 3.960 -0.000 0.000 0.293 296 G C -0.520 174.269 174.900 -0.185 0.000 1.408 296 G CA 0.429 45.387 45.100 -0.238 0.000 0.782 296 G HN 0.905 nan 8.290 nan 0.000 0.482 297 T N -2.206 112.341 114.554 -0.012 0.000 2.912 297 T HA 0.436 4.786 4.350 -0.000 0.000 0.280 297 T C 1.325 176.080 174.700 0.091 0.000 0.989 297 T CA -0.389 61.755 62.100 0.072 0.000 0.995 297 T CB 1.950 70.855 68.868 0.063 0.000 1.077 297 T HN 0.498 nan 8.240 nan 0.000 0.531 298 R N 0.372 120.740 120.500 -0.220 0.000 2.073 298 R HA -0.069 4.271 4.340 -0.000 0.000 0.234 298 R C 2.919 179.130 176.300 -0.147 0.000 1.134 298 R CA 1.798 57.637 56.100 -0.435 0.000 0.952 298 R CB -0.606 29.372 30.300 -0.537 0.000 0.850 298 R HN 0.869 nan 8.270 nan 0.000 0.433 299 S N 0.611 116.264 115.700 -0.077 0.000 2.423 299 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 299 S C 1.703 176.296 174.600 -0.011 0.000 1.014 299 S CA 0.959 59.141 58.200 -0.031 0.000 0.965 299 S CB -0.084 63.117 63.200 0.001 0.000 0.785 299 S HN 0.335 nan 8.310 nan 0.000 0.495 300 E N 0.749 120.968 120.200 0.031 0.000 2.072 300 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 300 E C 1.985 178.485 176.600 -0.167 0.000 0.985 300 E CA 0.985 57.390 56.400 0.009 0.000 0.801 300 E CB -0.279 29.558 29.700 0.228 0.000 0.750 300 E HN 0.407 nan 8.360 nan 0.000 0.452 301 L N 0.761 121.960 121.223 -0.040 0.000 2.046 301 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 301 L C 2.067 178.887 176.870 -0.083 0.000 1.077 301 L CA 1.731 56.551 54.840 -0.034 0.000 0.747 301 L CB -0.332 41.787 42.059 0.101 0.000 0.896 301 L HN 0.160 nan 8.230 nan 0.000 0.432 302 M N -0.955 118.604 119.600 -0.068 0.000 2.108 302 M HA -0.241 4.239 4.480 -0.000 0.000 0.261 302 M C 2.090 178.329 176.300 -0.102 0.000 1.066 302 M CA 1.956 57.219 55.300 -0.062 0.000 1.107 302 M CB -0.488 32.086 32.600 -0.043 0.000 1.356 302 M HN 0.296 nan 8.290 nan 0.000 0.406 303 E N -0.215 119.885 120.200 -0.167 0.000 2.072 303 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 303 E C 2.060 178.471 176.600 -0.315 0.000 0.985 303 E CA 1.264 57.533 56.400 -0.218 0.000 0.801 303 E CB -0.116 29.448 29.700 -0.227 0.000 0.750 303 E HN 0.282 nan 8.360 nan 0.000 0.452 304 V N 0.844 120.480 119.914 -0.463 0.000 2.295 304 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 304 V C 2.311 178.324 176.094 -0.135 0.000 1.049 304 V CA 1.389 63.496 62.300 -0.321 0.000 1.024 304 V CB -0.385 31.280 31.823 -0.264 0.000 0.648 304 V HN 0.150 nan 8.190 nan 0.000 0.447 305 V N 0.316 120.170 119.914 -0.100 0.000 2.392 305 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 305 V C 2.690 178.762 176.094 -0.038 0.000 1.059 305 V CA 2.032 64.304 62.300 -0.047 0.000 1.051 305 V CB -1.143 30.665 31.823 -0.024 0.000 0.658 305 V HN 0.572 nan 8.190 nan 0.000 0.455 306 A N -0.372 122.419 122.820 -0.048 0.000 1.902 306 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 306 A C 2.228 179.804 177.584 -0.014 0.000 1.181 306 A CA 1.668 53.690 52.037 -0.025 0.000 0.623 306 A CB -0.503 18.484 19.000 -0.022 0.000 0.818 306 A HN 0.492 nan 8.150 nan 0.000 0.443 307 L N -0.792 120.419 121.223 -0.020 0.000 2.012 307 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 307 L C 3.144 180.014 176.870 0.001 0.000 1.073 307 L CA 1.305 56.147 54.840 0.004 0.000 0.748 307 L CB -0.608 41.463 42.059 0.020 0.000 0.891 307 L HN 0.467 nan 8.230 nan 0.000 0.431 308 A N -0.067 122.747 122.820 -0.010 0.000 1.902 308 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 308 A C 2.342 179.925 177.584 -0.002 0.000 1.181 308 A CA 1.470 53.503 52.037 -0.005 0.000 0.623 308 A CB -0.480 18.515 19.000 -0.009 0.000 0.818 308 A HN 0.342 nan 8.150 nan 0.000 0.443 309 R N -0.636 119.862 120.500 -0.003 0.000 2.148 309 R HA 0.003 4.343 4.340 -0.000 0.000 0.227 309 R C 1.983 178.285 176.300 0.002 0.000 1.103 309 R CA 0.935 57.035 56.100 -0.001 0.000 0.983 309 R CB -0.335 29.965 30.300 -0.001 0.000 0.874 309 R HN 0.480 nan 8.270 nan 0.000 0.451 310 A N 0.355 123.177 122.820 0.004 0.000 2.238 310 A HA 0.197 4.517 4.320 -0.000 0.000 0.208 310 A C 1.326 178.915 177.584 0.008 0.000 1.177 310 A CA 0.678 52.719 52.037 0.007 0.000 0.804 310 A CB -0.186 18.820 19.000 0.011 0.000 0.823 310 A HN 0.430 nan 8.150 nan 0.000 0.482 311 G N -0.647 108.157 108.800 0.007 0.000 2.160 311 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.251 311 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.251 311 G C 0.829 175.736 174.900 0.012 0.000 1.008 311 G CA 0.499 45.603 45.100 0.008 0.000 0.724 311 G HN 0.412 nan 8.290 nan 0.000 0.514 312 R N -0.802 119.707 120.500 0.014 0.000 2.300 312 R HA 0.325 4.665 4.340 -0.000 0.000 0.199 312 R C 1.005 177.315 176.300 0.017 0.000 0.920 312 R CA 0.341 56.452 56.100 0.018 0.000 1.046 312 R CB 0.031 30.346 30.300 0.024 0.000 0.984 312 R HN 0.518 nan 8.270 nan 0.000 0.493 313 L N 0.987 122.217 121.223 0.012 0.000 2.356 313 L HA 0.346 4.685 4.340 -0.000 0.000 0.277 313 L C -0.618 176.266 176.870 0.023 0.000 0.996 313 L CA -0.884 53.961 54.840 0.007 0.000 0.822 313 L CB 2.290 44.344 42.059 -0.008 0.000 1.256 313 L HN -0.234 nan 8.230 nan 0.000 0.413 314 D N 4.295 124.726 120.400 0.052 0.000 2.477 314 D HA 0.276 4.916 4.640 -0.000 0.000 0.239 314 D C -0.405 176.014 176.300 0.197 0.000 1.102 314 D CA -0.398 53.657 54.000 0.092 0.000 0.901 314 D CB 0.736 41.605 40.800 0.116 0.000 1.026 314 D HN 0.134 nan 8.370 nan 0.000 0.515 315 I N 3.929 124.583 120.570 0.140 0.000 2.379 315 I HA 0.081 4.251 4.170 -0.000 0.000 0.290 315 I C 0.817 177.118 176.117 0.307 0.000 1.063 315 I CA -0.240 61.208 61.300 0.247 0.000 1.351 315 I CB 0.204 38.273 38.000 0.114 0.000 1.410 315 I HN 0.285 nan 8.210 nan 0.000 0.505 316 H N 5.394 124.670 119.070 0.344 0.000 2.668 316 H HA 0.306 4.862 4.556 -0.000 0.000 0.303 316 H C 0.290 175.601 175.328 -0.028 0.000 1.074 316 H CA -0.143 55.921 56.048 0.026 0.000 1.406 316 H CB 1.093 30.752 29.762 -0.173 0.000 1.442 316 H HN 0.606 nan 8.280 nan 0.000 0.482 317 T N 0.600 115.171 114.554 0.028 0.000 2.916 317 T HA 0.413 4.762 4.350 -0.000 0.000 0.292 317 T C -0.381 174.288 174.700 -0.052 0.000 1.064 317 T CA -1.173 60.929 62.100 0.003 0.000 1.011 317 T CB 3.092 71.959 68.868 -0.001 0.000 1.152 317 T HN 0.622 nan 8.240 nan 0.000 0.510 318 E N 0.257 120.417 120.200 -0.067 0.000 2.248 318 E HA 0.498 4.848 4.350 -0.000 0.000 0.267 318 E C -1.140 175.261 176.600 -0.332 0.000 0.877 318 E CA -0.703 55.565 56.400 -0.220 0.000 0.759 318 E CB 1.884 31.431 29.700 -0.254 0.000 1.182 318 E HN 0.705 nan 8.360 nan 0.000 0.418 319 T N 3.738 118.035 114.554 -0.429 0.000 2.875 319 T HA 0.495 4.845 4.350 -0.000 0.000 0.284 319 T C -0.918 173.436 174.700 -0.577 0.000 0.995 319 T CA -0.173 61.735 62.100 -0.320 0.000 1.060 319 T CB 0.217 68.977 68.868 -0.179 0.000 0.967 319 T HN 0.259 nan 8.240 nan 0.000 0.476 320 F N 0.649 120.565 119.950 -0.057 0.000 2.603 320 F HA 0.517 5.044 4.527 -0.000 0.000 0.317 320 F C 1.048 176.821 175.800 -0.044 0.000 1.066 320 F CA -1.181 56.787 58.000 -0.053 0.000 0.941 320 F CB 1.543 40.501 39.000 -0.071 0.000 1.291 320 F HN 0.548 nan 8.300 nan 0.000 0.472 321 T N -1.247 113.405 114.554 0.162 0.000 2.788 321 T HA 0.337 4.687 4.350 -0.000 0.000 0.280 321 T C 1.064 175.812 174.700 0.080 0.000 0.984 321 T CA -0.635 61.516 62.100 0.085 0.000 0.972 321 T CB 0.765 69.667 68.868 0.057 0.000 1.039 321 T HN 0.622 nan 8.240 nan 0.000 0.530 322 L N 0.106 121.357 121.223 0.046 0.000 2.083 322 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 322 L C 2.461 179.353 176.870 0.036 0.000 1.083 322 L CA 1.443 56.304 54.840 0.036 0.000 0.752 322 L CB -0.484 41.592 42.059 0.028 0.000 0.899 322 L HN 0.716 nan 8.230 nan 0.000 0.433 323 D N 0.018 120.441 120.400 0.038 0.000 2.178 323 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 323 D C 1.713 178.034 176.300 0.035 0.000 0.980 323 D CA 1.142 55.163 54.000 0.035 0.000 0.842 323 D CB -0.011 40.809 40.800 0.033 0.000 0.948 323 D HN 0.431 nan 8.370 nan 0.000 0.472 324 E N 0.019 120.250 120.200 0.050 0.000 2.494 324 E HA 0.080 4.430 4.350 -0.000 0.000 0.193 324 E C 1.914 178.479 176.600 -0.060 0.000 1.074 324 E CA -0.037 56.391 56.400 0.046 0.000 0.867 324 E CB 0.139 29.945 29.700 0.176 0.000 0.924 324 E HN 0.199 nan 8.360 nan 0.000 0.502 325 G N 2.732 111.509 108.800 -0.038 0.000 2.586 325 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 325 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 325 G C -0.814 174.066 174.900 -0.034 0.000 1.216 325 G CA 0.627 45.687 45.100 -0.066 0.000 0.786 325 G HN 0.251 nan 8.290 nan 0.000 0.583 326 P HA -0.058 nan 4.420 nan 0.000 0.215 326 P C 2.187 179.483 177.300 -0.007 0.000 1.153 326 P CA 2.104 65.241 63.100 0.061 0.000 0.853 326 P CB -0.210 31.509 31.700 0.033 0.000 0.788 327 A N -0.104 122.680 122.820 -0.060 0.000 1.933 327 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 327 A C 2.323 179.778 177.584 -0.216 0.000 1.175 327 A CA 2.022 54.010 52.037 -0.082 0.000 0.628 327 A CB -1.578 17.405 19.000 -0.028 0.000 0.814 327 A HN 0.191 nan 8.150 nan 0.000 0.444 328 A N -1.319 121.207 122.820 -0.490 0.000 1.908 328 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 328 A C 2.088 179.341 177.584 -0.552 0.000 1.181 328 A CA 1.568 53.033 52.037 -0.952 0.000 0.627 328 A CB -0.866 17.181 19.000 -1.588 0.000 0.818 328 A HN 0.621 nan 8.150 nan 0.000 0.445 329 Y N -0.340 119.777 120.300 -0.306 0.000 2.274 329 Y HA -0.182 4.368 4.550 -0.000 0.000 0.290 329 Y C 2.745 178.544 175.900 -0.169 0.000 1.145 329 Y CA 1.578 59.549 58.100 -0.215 0.000 1.203 329 Y CB -0.108 38.244 38.460 -0.180 0.000 0.984 329 Y HN 0.234 nan 8.280 nan 0.000 0.533 330 R N -0.230 120.268 120.500 -0.003 0.000 2.092 330 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 330 R C 2.265 178.548 176.300 -0.029 0.000 1.119 330 R CA 0.987 57.077 56.100 -0.017 0.000 0.970 330 R CB -0.184 30.107 30.300 -0.016 0.000 0.864 330 R HN 0.256 nan 8.270 nan 0.000 0.440 331 R N 0.629 121.094 120.500 -0.059 0.000 2.081 331 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 331 R C 2.260 178.546 176.300 -0.024 0.000 1.131 331 R CA 0.920 57.003 56.100 -0.029 0.000 0.960 331 R CB -0.689 29.602 30.300 -0.014 0.000 0.856 331 R HN 0.163 nan 8.270 nan 0.000 0.436 332 L N 1.398 122.580 121.223 -0.068 0.000 2.017 332 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 332 L C 2.383 179.244 176.870 -0.015 0.000 1.073 332 L CA 1.668 56.483 54.840 -0.042 0.000 0.745 332 L CB -0.379 41.627 42.059 -0.090 0.000 0.894 332 L HN -0.012 nan 8.230 nan 0.000 0.432 333 R N -0.190 120.288 120.500 -0.036 0.000 2.091 333 R HA -0.202 4.138 4.340 -0.000 0.000 0.238 333 R C 1.932 178.250 176.300 0.030 0.000 1.136 333 R CA 1.795 57.879 56.100 -0.027 0.000 0.959 333 R CB -0.344 29.934 30.300 -0.036 0.000 0.856 333 R HN 0.694 nan 8.270 nan 0.000 0.437 334 E N -0.668 119.547 120.200 0.024 0.000 2.478 334 E HA 0.056 4.406 4.350 -0.000 0.000 0.194 334 E C 0.681 177.309 176.600 0.047 0.000 1.045 334 E CA 0.517 56.937 56.400 0.034 0.000 0.868 334 E CB 0.454 30.167 29.700 0.022 0.000 0.885 334 E HN 0.299 nan 8.360 nan 0.000 0.505 335 G N 1.647 110.482 108.800 0.058 0.000 2.182 335 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.248 335 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.248 335 G C 0.646 175.571 174.900 0.042 0.000 1.042 335 G CA 0.511 45.648 45.100 0.062 0.000 0.775 335 G HN 0.532 nan 8.290 nan 0.000 0.501 336 S N -1.086 114.637 115.700 0.039 0.000 2.568 336 S HA 0.534 5.004 4.470 -0.000 0.000 0.232 336 S C 0.620 175.248 174.600 0.046 0.000 0.975 336 S CA -0.351 57.870 58.200 0.037 0.000 0.949 336 S CB 0.283 63.505 63.200 0.038 0.000 0.829 336 S HN 0.494 nan 8.310 nan 0.000 0.479 337 I N 2.535 123.134 120.570 0.047 0.000 2.307 337 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 337 I C 0.638 176.760 176.117 0.007 0.000 1.021 337 I CA -0.518 60.816 61.300 0.055 0.000 1.224 337 I CB 1.007 39.053 38.000 0.078 0.000 1.376 337 I HN 0.099 nan 8.210 nan 0.000 0.470 338 R N 6.051 126.545 120.500 -0.011 0.000 3.710 338 R HA 0.405 4.745 4.340 -0.000 0.000 0.201 338 R C 0.424 176.647 176.300 -0.128 0.000 1.641 338 R CA 0.424 56.491 56.100 -0.055 0.000 1.390 338 R CB -0.261 30.022 30.300 -0.028 0.000 1.341 338 R HN 1.016 nan 8.270 nan 0.000 0.728 339 G N 1.513 110.199 108.800 -0.189 0.000 2.250 339 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.189 339 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.189 339 G C -1.369 173.469 174.900 -0.103 0.000 1.298 339 G CA -0.863 44.031 45.100 -0.343 0.000 1.246 339 G HN 0.318 nan 8.290 nan 0.000 0.513 340 R N 1.161 121.652 120.500 -0.014 0.000 2.393 340 R HA 0.598 4.937 4.340 -0.000 0.000 0.310 340 R C 0.546 176.879 176.300 0.055 0.000 0.968 340 R CA 0.137 56.262 56.100 0.042 0.000 0.867 340 R CB 0.904 31.253 30.300 0.082 0.000 1.124 340 R HN 1.021 nan 8.270 nan 0.000 0.450 341 G N 1.521 110.359 108.800 0.064 0.000 2.370 341 G HA2 0.413 4.373 3.960 -0.000 0.000 0.272 341 G HA3 0.413 4.373 3.960 -0.000 0.000 0.272 341 G C -0.757 174.201 174.900 0.096 0.000 1.208 341 G CA -0.220 44.988 45.100 0.179 0.000 0.856 341 G HN 0.307 nan 8.290 nan 0.000 0.500 342 V N 3.092 123.113 119.914 0.178 0.000 2.577 342 V HA 0.265 4.384 4.120 -0.000 0.000 0.303 342 V C -0.070 176.105 176.094 0.135 0.000 1.042 342 V CA -0.759 61.591 62.300 0.084 0.000 0.872 342 V CB 1.865 33.708 31.823 0.033 0.000 0.998 342 V HN 0.561 nan 8.190 nan 0.000 0.423 343 V N 5.593 125.547 119.914 0.067 0.000 2.461 343 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 343 V C -0.002 176.109 176.094 0.029 0.000 1.047 343 V CA -0.317 62.024 62.300 0.067 0.000 0.955 343 V CB 1.766 33.599 31.823 0.017 0.000 0.988 343 V HN 0.622 nan 8.190 nan 0.000 0.471 344 V N 8.284 128.214 119.914 0.027 0.000 2.311 344 V HA 0.325 4.445 4.120 -0.000 0.000 0.275 344 V C -1.915 174.175 176.094 -0.007 0.000 1.022 344 V CA -1.475 60.824 62.300 -0.002 0.000 0.830 344 V CB 1.185 33.001 31.823 -0.012 0.000 1.012 344 V HN 0.776 nan 8.190 nan 0.000 0.452 345 P HA 0.000 nan 4.420 nan 0.000 0.216 345 P CA 0.000 63.081 63.100 -0.032 0.000 0.800 345 P CB 0.000 31.660 31.700 -0.067 0.000 0.726