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_A 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 0.000 176.350 176.300 0.083 0.000 1.140 1 M CA 0.000 55.361 55.300 0.102 0.000 0.988 1 M CB 0.000 32.701 32.600 0.168 0.000 1.302 2 K N 1.366 121.816 120.400 0.083 0.000 2.118 2 K HA 0.907 5.227 4.320 -0.000 0.000 0.267 2 K C -1.284 175.355 176.600 0.065 0.000 0.991 2 K CA -0.015 56.310 56.287 0.062 0.000 0.916 2 K CB 1.615 34.146 32.500 0.051 0.000 1.041 2 K HN 0.907 nan 8.250 nan 0.000 0.455 3 A N 2.351 125.205 122.820 0.058 0.000 2.608 3 A HA 0.461 4.781 4.320 -0.000 0.000 0.292 3 A C -1.702 175.918 177.584 0.060 0.000 1.066 3 A CA -0.784 51.289 52.037 0.061 0.000 0.676 3 A CB 1.606 20.646 19.000 0.068 0.000 1.277 3 A HN 0.396 nan 8.150 nan 0.000 0.413 4 V N 1.754 121.709 119.914 0.069 0.000 2.398 4 V HA 0.536 4.656 4.120 -0.000 0.000 0.286 4 V C -0.138 176.005 176.094 0.082 0.000 1.026 4 V CA -0.180 62.167 62.300 0.079 0.000 0.868 4 V CB 1.134 33.021 31.823 0.107 0.000 0.982 4 V HN 0.862 nan 8.190 nan 0.000 0.443 5 Q N 2.615 122.459 119.800 0.072 0.000 2.397 5 Q HA 0.443 4.783 4.340 -0.000 0.000 0.275 5 Q C -1.500 174.562 176.000 0.103 0.000 1.090 5 Q CA -0.789 55.063 55.803 0.081 0.000 0.809 5 Q CB 3.348 32.121 28.738 0.059 0.000 1.362 5 Q HN 0.809 nan 8.270 nan 0.000 0.431 6 Y N 1.507 121.781 120.300 -0.044 0.000 2.404 6 Y HA 0.114 4.664 4.550 -0.000 0.000 0.344 6 Y C 0.822 176.681 175.900 -0.068 0.000 0.995 6 Y CA 0.288 58.333 58.100 -0.090 0.000 1.201 6 Y CB 0.838 39.227 38.460 -0.118 0.000 1.151 6 Y HN 0.799 nan 8.280 nan 0.000 0.517 7 T N 0.360 114.715 114.554 -0.332 0.000 2.964 7 T HA 0.176 4.526 4.350 -0.000 0.000 0.249 7 T C -0.258 174.200 174.700 -0.403 0.000 1.000 7 T CA 0.056 61.986 62.100 -0.282 0.000 0.992 7 T CB 0.076 68.865 68.868 -0.132 0.000 1.087 7 T HN 0.708 nan 8.240 nan 0.000 0.489 8 E N 1.111 120.970 120.200 -0.569 0.000 2.343 8 E HA 0.505 4.855 4.350 -0.000 0.000 0.278 8 E C -1.145 175.117 176.600 -0.562 0.000 0.910 8 E CA -1.251 54.871 56.400 -0.462 0.000 0.757 8 E CB 1.203 30.763 29.700 -0.233 0.000 1.218 8 E HN -0.079 nan 8.360 nan 0.000 0.435 9 I N 2.359 122.673 120.570 -0.427 0.000 2.826 9 I HA 0.063 4.233 4.170 -0.000 0.000 0.295 9 I C 1.615 177.678 176.117 -0.090 0.000 1.213 9 I CA 2.025 63.175 61.300 -0.250 0.000 1.436 9 I CB -0.374 37.530 38.000 -0.161 0.000 1.348 9 I HN 1.093 nan 8.210 nan 0.000 0.570 10 G N 4.573 113.396 108.800 0.038 0.000 2.199 10 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.254 10 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.254 10 G C 0.521 175.435 174.900 0.024 0.000 0.982 10 G CA 0.377 45.483 45.100 0.010 0.000 0.632 10 G HN 0.595 nan 8.290 nan 0.000 0.529 11 S N 0.217 115.952 115.700 0.058 0.000 2.707 11 S HA 0.577 5.047 4.470 -0.000 0.000 0.276 11 S C 0.286 174.941 174.600 0.092 0.000 1.179 11 S CA -0.633 57.589 58.200 0.037 0.000 0.992 11 S CB 1.400 64.585 63.200 -0.026 0.000 1.030 11 S HN 0.456 nan 8.310 nan 0.000 0.554 12 E N 1.343 121.563 120.200 0.034 0.000 2.349 12 E HA 0.284 4.634 4.350 -0.000 0.000 0.262 12 E C -2.357 174.270 176.600 0.046 0.000 1.088 12 E CA -1.851 54.557 56.400 0.014 0.000 0.899 12 E CB 0.085 29.784 29.700 -0.002 0.000 1.044 12 E HN 0.265 nan 8.360 nan 0.000 0.420 13 P HA -0.020 nan 4.420 nan 0.000 0.269 13 P C -0.932 176.391 177.300 0.038 0.000 1.215 13 P CA -0.102 63.017 63.100 0.032 0.000 0.780 13 P CB 0.491 32.169 31.700 -0.038 0.000 0.898 14 V N -0.964 118.974 119.914 0.040 0.000 2.962 14 V HA 0.508 4.628 4.120 -0.000 0.000 0.313 14 V C -0.461 175.656 176.094 0.038 0.000 1.099 14 V CA -1.116 61.202 62.300 0.031 0.000 0.971 14 V CB 1.996 33.828 31.823 0.015 0.000 1.028 14 V HN 0.170 nan 8.190 nan 0.000 0.430 15 V N 4.122 124.057 119.914 0.035 0.000 2.455 15 V HA 0.504 4.624 4.120 -0.000 0.000 0.273 15 V C 0.462 176.574 176.094 0.031 0.000 1.045 15 V CA 0.410 62.733 62.300 0.037 0.000 0.976 15 V CB 0.847 32.691 31.823 0.035 0.000 0.993 15 V HN 1.078 nan 8.190 nan 0.000 0.475 16 V N 1.821 121.756 119.914 0.035 0.000 3.046 16 V HA 0.757 4.877 4.120 -0.000 0.000 0.316 16 V C -0.796 175.319 176.094 0.034 0.000 1.104 16 V CA -1.008 61.310 62.300 0.030 0.000 1.006 16 V CB 2.304 34.143 31.823 0.028 0.000 1.058 16 V HN 0.728 nan 8.190 nan 0.000 0.440 17 D N 1.547 121.965 120.400 0.030 0.000 2.381 17 D HA 0.670 5.310 4.640 -0.000 0.000 0.235 17 D C -0.400 175.919 176.300 0.031 0.000 1.068 17 D CA -0.372 53.648 54.000 0.033 0.000 0.832 17 D CB 1.147 41.964 40.800 0.028 0.000 1.101 17 D HN 0.942 nan 8.370 nan 0.000 0.515 18 I N -0.218 120.374 120.570 0.038 0.000 3.042 18 I HA 0.719 4.889 4.170 -0.000 0.000 0.310 18 I C -2.689 173.449 176.117 0.035 0.000 1.117 18 I CA -3.015 58.306 61.300 0.035 0.000 1.003 18 I CB 2.198 40.222 38.000 0.040 0.000 1.228 18 I HN 0.090 nan 8.210 nan 0.000 0.443 19 P HA 0.141 nan 4.420 nan 0.000 0.271 19 P C -0.611 176.696 177.300 0.013 0.000 1.216 19 P CA 0.101 63.209 63.100 0.013 0.000 0.776 19 P CB 0.450 32.154 31.700 0.007 0.000 0.881 20 T N 5.437 119.983 114.554 -0.014 0.000 2.867 20 T HA 0.180 4.529 4.350 -0.000 0.000 0.297 20 T C -1.906 172.757 174.700 -0.061 0.000 0.989 20 T CA -0.467 61.597 62.100 -0.060 0.000 1.159 20 T CB -0.645 68.102 68.868 -0.202 0.000 0.928 20 T HN 0.333 nan 8.240 nan 0.000 0.538 21 P HA 0.340 nan 4.420 nan 0.000 0.276 21 P C -0.539 176.742 177.300 -0.031 0.000 1.244 21 P CA -0.564 62.532 63.100 -0.005 0.000 0.801 21 P CB 0.524 32.247 31.700 0.039 0.000 1.006 22 T N 2.249 116.794 114.554 -0.014 0.000 2.794 22 T HA 0.463 4.813 4.350 -0.000 0.000 0.280 22 T C -2.447 172.254 174.700 0.001 0.000 0.987 22 T CA -1.378 60.711 62.100 -0.018 0.000 0.993 22 T CB 0.595 69.453 68.868 -0.016 0.000 0.939 22 T HN 0.258 nan 8.240 nan 0.000 0.449 23 P HA 0.337 nan 4.420 nan 0.000 0.276 23 P C 0.433 177.736 177.300 0.005 0.000 1.253 23 P CA -0.221 62.884 63.100 0.010 0.000 0.766 23 P CB 0.478 32.183 31.700 0.008 0.000 0.845 24 G N 4.326 113.131 108.800 0.008 0.000 2.535 24 G HA2 0.369 4.329 3.960 -0.000 0.000 0.282 24 G HA3 0.369 4.329 3.960 -0.000 0.000 0.282 24 G C -2.555 172.344 174.900 -0.003 0.000 1.350 24 G CA -1.582 43.521 45.100 0.004 0.000 1.039 24 G HN 0.284 nan 8.290 nan 0.000 0.509 25 P HA 0.185 nan 4.420 nan 0.000 0.263 25 P C 0.884 178.172 177.300 -0.021 0.000 1.195 25 P CA 1.534 64.627 63.100 -0.011 0.000 0.762 25 P CB 0.888 32.582 31.700 -0.009 0.000 0.799 26 G N 2.162 110.946 108.800 -0.026 0.000 2.267 26 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.257 26 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.257 26 G C 0.170 175.038 174.900 -0.054 0.000 0.998 26 G CA -0.133 44.941 45.100 -0.043 0.000 0.620 26 G HN 0.546 nan 8.290 nan 0.000 0.529 27 E N -0.305 119.872 120.200 -0.038 0.000 2.345 27 E HA 0.635 4.984 4.350 -0.000 0.000 0.259 27 E C -0.304 176.283 176.600 -0.022 0.000 1.117 27 E CA -0.379 55.999 56.400 -0.038 0.000 0.913 27 E CB 1.125 30.819 29.700 -0.011 0.000 1.057 27 E HN 0.319 nan 8.360 nan 0.000 0.432 28 I N 1.498 122.055 120.570 -0.021 0.000 2.647 28 I HA 0.209 4.378 4.170 -0.000 0.000 0.295 28 I C -1.128 175.001 176.117 0.020 0.000 1.078 28 I CA -0.711 60.582 61.300 -0.011 0.000 1.048 28 I CB 1.644 39.611 38.000 -0.055 0.000 1.239 28 I HN 0.276 nan 8.210 nan 0.000 0.421 29 L N 6.808 128.054 121.223 0.038 0.000 2.282 29 L HA 0.622 4.962 4.340 -0.000 0.000 0.288 29 L C -1.211 175.723 176.870 0.107 0.000 1.033 29 L CA -0.025 54.865 54.840 0.083 0.000 0.807 29 L CB 0.708 42.811 42.059 0.073 0.000 1.209 29 L HN 0.438 nan 8.230 nan 0.000 0.423 30 L N 4.553 125.851 121.223 0.125 0.000 2.325 30 L HA 0.509 4.849 4.340 -0.000 0.000 0.278 30 L C -0.058 176.878 176.870 0.110 0.000 1.023 30 L CA -0.840 54.053 54.840 0.088 0.000 0.811 30 L CB 1.494 43.572 42.059 0.030 0.000 1.249 30 L HN 0.579 nan 8.230 nan 0.000 0.431 31 K N 2.170 122.570 120.400 0.001 0.000 2.285 31 K HA 0.329 4.649 4.320 -0.000 0.000 0.286 31 K C -0.801 175.674 176.600 -0.208 0.000 1.072 31 K CA -0.525 55.577 56.287 -0.309 0.000 0.913 31 K CB 1.027 33.361 32.500 -0.278 0.000 1.067 31 K HN 0.357 nan 8.250 nan 0.000 0.479 32 V N 4.487 124.263 119.914 -0.231 0.000 2.572 32 V HA -0.014 4.106 4.120 -0.000 0.000 0.291 32 V C 1.397 177.426 176.094 -0.108 0.000 1.039 32 V CA 0.341 62.572 62.300 -0.116 0.000 1.055 32 V CB 1.063 32.839 31.823 -0.078 0.000 0.969 32 V HN 1.052 nan 8.190 nan 0.000 0.482 33 T N 0.707 115.222 114.554 -0.065 0.000 2.990 33 T HA 0.586 4.936 4.350 -0.000 0.000 0.250 33 T C 0.342 175.022 174.700 -0.033 0.000 1.041 33 T CA 0.464 62.533 62.100 -0.051 0.000 1.010 33 T CB 0.549 69.393 68.868 -0.039 0.000 1.003 33 T HN 1.104 nan 8.240 nan 0.000 0.499 34 A N 0.329 123.134 122.820 -0.025 0.000 2.555 34 A HA 0.805 5.124 4.320 -0.000 0.000 0.297 34 A C -1.242 176.336 177.584 -0.010 0.000 1.060 34 A CA -0.533 51.496 52.037 -0.013 0.000 0.710 34 A CB 0.981 19.976 19.000 -0.008 0.000 1.282 34 A HN 0.898 nan 8.150 nan 0.000 0.399 35 A N 1.294 124.107 122.820 -0.010 0.000 2.335 35 A HA 0.799 5.119 4.320 -0.000 0.000 0.304 35 A C 0.287 177.848 177.584 -0.039 0.000 1.118 35 A CA 0.065 52.091 52.037 -0.019 0.000 0.757 35 A CB 1.019 20.012 19.000 -0.011 0.000 1.188 35 A HN 2.093 nan 8.150 nan 0.000 0.460 36 G N 1.054 109.819 108.800 -0.058 0.000 2.395 36 G HA2 0.524 4.483 3.960 -0.000 0.000 0.283 36 G HA3 0.524 4.483 3.960 -0.000 0.000 0.283 36 G C -0.604 174.207 174.900 -0.149 0.000 1.178 36 G CA -0.358 44.691 45.100 -0.084 0.000 0.837 36 G HN 0.552 nan 8.290 nan 0.000 0.518 37 L N 1.250 122.367 121.223 -0.177 0.000 2.292 37 L HA 0.420 4.760 4.340 -0.000 0.000 0.284 37 L C 0.427 177.220 176.870 -0.129 0.000 1.065 37 L CA -0.329 54.374 54.840 -0.228 0.000 0.806 37 L CB 1.385 43.154 42.059 -0.483 0.000 1.175 37 L HN 0.535 nan 8.230 nan 0.000 0.431 38 C N 1.844 121.102 119.300 -0.070 0.000 2.493 38 C HA 0.342 4.802 4.460 -0.000 0.000 0.326 38 C C 1.830 176.894 174.990 0.123 0.000 1.200 38 C CA -0.520 58.498 59.018 -0.001 0.000 1.739 38 C CB 0.827 28.527 27.740 -0.066 0.000 2.300 38 C HN 1.004 nan 8.230 nan 0.000 0.500 39 H N 1.543 120.651 119.070 0.062 0.000 2.518 39 H HA -0.048 4.508 4.556 -0.000 0.000 0.289 39 H C 1.950 177.340 175.328 0.103 0.000 1.051 39 H CA 2.127 58.224 56.048 0.081 0.000 1.280 39 H CB 0.586 30.384 29.762 0.062 0.000 1.380 39 H HN 0.726 nan 8.280 nan 0.000 0.566 40 S N -0.058 115.783 115.700 0.236 0.000 2.419 40 S HA -0.145 4.325 4.470 -0.000 0.000 0.233 40 S C 1.396 176.117 174.600 0.201 0.000 1.016 40 S CA 1.124 59.442 58.200 0.196 0.000 0.974 40 S CB -0.056 63.191 63.200 0.079 0.000 0.786 40 S HN 0.559 nan 8.310 nan 0.000 0.492 41 D N 1.581 122.086 120.400 0.176 0.000 2.144 41 D HA -0.043 4.597 4.640 -0.000 0.000 0.199 41 D C 1.750 177.977 176.300 -0.121 0.000 0.984 41 D CA 0.866 54.893 54.000 0.045 0.000 0.834 41 D CB -0.279 40.566 40.800 0.076 0.000 0.955 41 D HN 0.390 nan 8.370 nan 0.000 0.465 42 I N -0.018 120.488 120.570 -0.105 0.000 2.252 42 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 42 I C 2.221 178.286 176.117 -0.087 0.000 1.102 42 I CA 0.497 61.687 61.300 -0.184 0.000 1.385 42 I CB -0.181 37.624 38.000 -0.325 0.000 1.064 42 I HN -0.118 nan 8.210 nan 0.000 0.414 43 F N 1.311 121.221 119.950 -0.066 0.000 2.095 43 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 43 F C 2.398 178.158 175.800 -0.068 0.000 1.104 43 F CA 1.727 59.702 58.000 -0.042 0.000 1.232 43 F CB -0.308 38.694 39.000 0.003 0.000 0.987 43 F HN -0.239 nan 8.300 nan 0.000 0.475 44 V N 0.565 120.555 119.914 0.127 0.000 2.287 44 V HA -0.371 3.748 4.120 -0.000 0.000 0.248 44 V C 2.395 178.371 176.094 -0.195 0.000 1.053 44 V CA 2.371 64.709 62.300 0.063 0.000 1.027 44 V CB -0.624 31.320 31.823 0.201 0.000 0.646 44 V HN 0.394 nan 8.190 nan 0.000 0.447 45 M N -0.483 118.866 119.600 -0.418 0.000 2.476 45 M HA -0.109 4.371 4.480 -0.000 0.000 0.262 45 M C 1.336 177.392 176.300 -0.407 0.000 1.079 45 M CA 1.151 56.001 55.300 -0.750 0.000 1.104 45 M CB -0.343 31.719 32.600 -0.897 0.000 1.409 45 M HN 0.307 nan 8.290 nan 0.000 0.467 46 D N 0.120 120.321 120.400 -0.332 0.000 2.349 46 D HA 0.118 4.758 4.640 -0.000 0.000 0.215 46 D C 0.406 176.529 176.300 -0.295 0.000 1.016 46 D CA 0.411 54.240 54.000 -0.286 0.000 0.870 46 D CB 0.054 40.678 40.800 -0.293 0.000 0.917 46 D HN 0.307 nan 8.370 nan 0.000 0.524 47 M N 1.390 120.808 119.600 -0.303 0.000 2.252 47 M HA 0.132 4.612 4.480 -0.000 0.000 0.333 47 M C -2.054 174.183 176.300 -0.106 0.000 1.111 47 M CA -1.118 54.049 55.300 -0.222 0.000 1.140 47 M CB 0.305 32.839 32.600 -0.110 0.000 1.538 47 M HN -0.263 nan 8.290 nan 0.000 0.448 48 P HA 0.097 nan 4.420 nan 0.000 0.272 48 P C -0.184 177.116 177.300 0.000 0.000 1.223 48 P CA -0.119 62.956 63.100 -0.042 0.000 0.784 48 P CB 0.526 32.203 31.700 -0.039 0.000 0.923 49 A N 2.718 125.538 122.820 -0.000 0.000 1.948 49 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 49 A C 2.067 179.679 177.584 0.046 0.000 1.177 49 A CA 2.293 54.346 52.037 0.026 0.000 0.636 49 A CB -1.656 17.344 19.000 -0.001 0.000 0.815 49 A HN 0.577 nan 8.150 nan 0.000 0.449 50 A N -1.559 121.272 122.820 0.018 0.000 2.119 50 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 50 A C 2.043 179.631 177.584 0.006 0.000 1.153 50 A CA 1.574 53.618 52.037 0.011 0.000 0.692 50 A CB -0.280 18.720 19.000 0.000 0.000 0.799 50 A HN 0.697 nan 8.150 nan 0.000 0.458 51 Q N -2.243 117.563 119.800 0.009 0.000 2.390 51 Q HA 0.065 4.405 4.340 -0.000 0.000 0.216 51 Q C 0.020 175.996 176.000 -0.039 0.000 0.916 51 Q CA -0.384 55.409 55.803 -0.016 0.000 0.911 51 Q CB 0.084 28.808 28.738 -0.022 0.000 1.035 51 Q HN 0.561 nan 8.270 nan 0.000 0.541 52 Y N 0.492 120.722 120.300 -0.117 0.000 2.721 52 Y HA 0.139 4.689 4.550 -0.000 0.000 0.329 52 Y C 0.061 175.875 175.900 -0.143 0.000 1.211 52 Y CA 0.788 58.794 58.100 -0.156 0.000 1.512 52 Y CB 0.873 39.298 38.460 -0.060 0.000 1.249 52 Y HN 0.146 nan 8.280 nan 0.000 0.549 53 A N 5.474 127.755 122.820 -0.897 0.000 2.635 53 A HA 0.185 4.505 4.320 -0.000 0.000 0.279 53 A C -0.121 177.190 177.584 -0.454 0.000 1.122 53 A CA -0.259 51.459 52.037 -0.531 0.000 0.965 53 A CB -0.236 18.582 19.000 -0.304 0.000 1.221 53 A HN 0.735 nan 8.150 nan 0.000 0.566 54 Y N 0.434 120.143 120.300 -0.986 0.000 2.457 54 Y HA 0.409 4.959 4.550 -0.000 0.000 0.263 54 Y C 1.517 177.303 175.900 -0.190 0.000 1.164 54 Y CA -0.323 57.478 58.100 -0.499 0.000 1.274 54 Y CB -0.505 37.740 38.460 -0.359 0.000 1.097 54 Y HN 0.491 nan 8.280 nan 0.000 0.523 55 G N 0.722 109.523 108.800 0.002 0.000 2.785 55 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.685 55 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.685 55 G C -1.220 173.873 174.900 0.321 0.000 1.480 55 G CA -0.669 44.538 45.100 0.178 0.000 0.915 55 G HN 0.176 nan 8.290 nan 0.000 0.576 56 L N 1.743 123.078 121.223 0.186 0.000 2.431 56 L HA 0.550 4.890 4.340 -0.000 0.000 0.266 56 L C -1.753 175.141 176.870 0.040 0.000 0.978 56 L CA -1.848 53.046 54.840 0.089 0.000 0.822 56 L CB 2.236 44.279 42.059 -0.026 0.000 1.310 56 L HN 0.636 nan 8.230 nan 0.000 0.409 57 P HA 0.466 nan 4.420 nan 0.000 0.276 57 P C -1.408 175.948 177.300 0.092 0.000 1.261 57 P CA -0.613 62.501 63.100 0.024 0.000 0.800 57 P CB 1.031 32.738 31.700 0.013 0.000 1.066 58 L N 0.319 121.618 121.223 0.128 0.000 2.406 58 L HA 0.342 4.682 4.340 -0.000 0.000 0.270 58 L C -0.593 176.360 176.870 0.138 0.000 0.982 58 L CA -0.122 54.821 54.840 0.171 0.000 0.843 58 L CB 1.264 43.505 42.059 0.305 0.000 1.225 58 L HN 0.312 nan 8.230 nan 0.000 0.412 59 T N 6.141 120.756 114.554 0.100 0.000 2.784 59 T HA 0.308 4.658 4.350 -0.000 0.000 0.291 59 T C 0.626 175.380 174.700 0.090 0.000 0.942 59 T CA 0.103 62.256 62.100 0.088 0.000 1.161 59 T CB -0.316 68.597 68.868 0.075 0.000 0.885 59 T HN 0.440 nan 8.240 nan 0.000 0.534 60 L N 2.219 123.500 121.223 0.097 0.000 2.476 60 L HA 0.567 4.907 4.340 -0.000 0.000 0.255 60 L C 1.133 178.064 176.870 0.102 0.000 1.218 60 L CA -0.252 54.649 54.840 0.103 0.000 0.819 60 L CB 0.247 42.357 42.059 0.084 0.000 1.119 60 L HN 0.899 nan 8.230 nan 0.000 0.485 61 G N 0.406 109.270 108.800 0.106 0.000 3.017 61 G HA2 -0.104 3.855 3.960 -0.000 0.000 0.680 61 G HA3 -0.104 3.855 3.960 -0.000 0.000 0.680 61 G C -0.179 174.749 174.900 0.047 0.000 1.179 61 G CA -0.168 44.954 45.100 0.037 0.000 1.142 61 G HN 0.981 nan 8.290 nan 0.000 0.489 62 H N 0.086 119.175 119.070 0.032 0.000 2.672 62 H HA 0.311 4.867 4.556 -0.000 0.000 0.277 62 H C 0.031 175.438 175.328 0.132 0.000 1.074 62 H CA 0.246 56.333 56.048 0.065 0.000 1.173 62 H CB 1.152 30.956 29.762 0.070 0.000 1.558 62 H HN 0.537 nan 8.280 nan 0.000 0.539 63 E N 1.372 121.523 120.200 -0.081 0.000 2.073 63 E HA 0.487 4.836 4.350 -0.000 0.000 0.269 63 E C -0.484 176.120 176.600 0.008 0.000 0.917 63 E CA -0.708 55.690 56.400 -0.003 0.000 0.757 63 E CB 1.814 31.472 29.700 -0.069 0.000 1.111 63 E HN 0.518 nan 8.360 nan 0.000 0.410 64 G N 1.445 110.269 108.800 0.040 0.000 2.662 64 G HA2 0.554 4.513 3.960 -0.000 0.000 0.302 64 G HA3 0.554 4.513 3.960 -0.000 0.000 0.302 64 G C -0.790 174.126 174.900 0.027 0.000 1.389 64 G CA -0.586 44.531 45.100 0.030 0.000 0.998 64 G HN 0.329 nan 8.290 nan 0.000 0.502 65 V N -0.105 119.816 119.914 0.011 0.000 2.925 65 V HA 1.071 5.191 4.120 -0.000 0.000 0.311 65 V C 0.210 176.298 176.094 -0.011 0.000 1.104 65 V CA -0.020 62.282 62.300 0.003 0.000 0.954 65 V CB 1.487 33.312 31.823 0.003 0.000 1.022 65 V HN 1.625 nan 8.190 nan 0.000 0.427 66 G N 1.547 110.336 108.800 -0.019 0.000 2.634 66 G HA2 0.769 4.729 3.960 -0.000 0.000 0.309 66 G HA3 0.769 4.729 3.960 -0.000 0.000 0.309 66 G C -0.659 174.224 174.900 -0.028 0.000 1.299 66 G CA 0.036 45.117 45.100 -0.031 0.000 0.798 66 G HN 1.539 nan 8.290 nan 0.000 0.490 67 T N -1.995 112.543 114.554 -0.027 0.000 2.863 67 T HA 0.605 4.955 4.350 -0.000 0.000 0.285 67 T C -0.239 174.461 174.700 -0.000 0.000 1.009 67 T CA -0.604 61.490 62.100 -0.011 0.000 0.989 67 T CB 1.719 70.586 68.868 -0.002 0.000 1.004 67 T HN 0.673 nan 8.240 nan 0.000 0.455 68 V N 3.019 122.934 119.914 0.001 0.000 2.493 68 V HA 0.381 4.501 4.120 -0.000 0.000 0.292 68 V C 1.350 177.474 176.094 0.050 0.000 1.016 68 V CA 0.633 62.939 62.300 0.011 0.000 1.097 68 V CB -0.087 31.744 31.823 0.013 0.000 0.947 68 V HN 1.213 nan 8.190 nan 0.000 0.479 69 A N 4.618 127.485 122.820 0.079 0.000 1.963 69 A HA 0.301 4.621 4.320 -0.000 0.000 0.207 69 A C 0.791 178.421 177.584 0.077 0.000 1.243 69 A CA 0.295 52.400 52.037 0.113 0.000 0.728 69 A CB 0.281 19.421 19.000 0.234 0.000 0.895 69 A HN 0.723 nan 8.150 nan 0.000 0.467 70 E N -0.519 119.717 120.200 0.060 0.000 2.308 70 E HA 0.537 4.886 4.350 -0.000 0.000 0.275 70 E C -1.773 174.845 176.600 0.029 0.000 0.890 70 E CA -0.480 55.941 56.400 0.035 0.000 0.754 70 E CB 2.022 31.731 29.700 0.016 0.000 1.207 70 E HN 0.278 nan 8.360 nan 0.000 0.426 71 L N 2.192 123.431 121.223 0.027 0.000 2.289 71 L HA 0.482 4.822 4.340 -0.000 0.000 0.285 71 L C 0.895 177.773 176.870 0.014 0.000 1.049 71 L CA -0.683 54.172 54.840 0.025 0.000 0.804 71 L CB 1.234 43.314 42.059 0.035 0.000 1.195 71 L HN 0.603 nan 8.230 nan 0.000 0.428 72 G N 1.967 110.771 108.800 0.008 0.000 2.667 72 G HA2 0.118 4.078 3.960 -0.000 0.000 0.250 72 G HA3 0.118 4.078 3.960 -0.000 0.000 0.250 72 G C -0.176 174.725 174.900 0.001 0.000 1.212 72 G CA -0.553 44.548 45.100 0.002 0.000 0.874 72 G HN 0.669 nan 8.290 nan 0.000 0.561 73 E N -0.207 119.992 120.200 -0.002 0.000 2.558 73 E HA 0.226 4.576 4.350 -0.000 0.000 0.255 73 E C 1.291 177.888 176.600 -0.005 0.000 0.968 73 E CA 1.112 57.510 56.400 -0.003 0.000 0.939 73 E CB 0.360 30.057 29.700 -0.004 0.000 0.921 73 E HN 0.966 nan 8.360 nan 0.000 0.477 74 G N 2.204 111.001 108.800 -0.004 0.000 2.189 74 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.267 74 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.267 74 G C 0.452 175.348 174.900 -0.006 0.000 0.975 74 G CA 0.235 45.331 45.100 -0.007 0.000 0.644 74 G HN 0.435 nan 8.290 nan 0.000 0.537 75 V N 1.882 121.797 119.914 0.002 0.000 2.655 75 V HA 0.538 4.658 4.120 -0.000 0.000 0.300 75 V C 1.024 177.132 176.094 0.022 0.000 1.044 75 V CA 0.908 63.217 62.300 0.014 0.000 1.095 75 V CB 1.067 32.907 31.823 0.028 0.000 0.952 75 V HN 0.892 nan 8.190 nan 0.000 0.485 76 T N 0.652 115.218 114.554 0.019 0.000 2.906 76 T HA 0.733 5.082 4.350 -0.000 0.000 0.295 76 T C 0.580 175.268 174.700 -0.020 0.000 1.075 76 T CA 0.024 62.122 62.100 -0.004 0.000 1.005 76 T CB 1.989 70.837 68.868 -0.032 0.000 1.136 76 T HN 1.570 nan 8.240 nan 0.000 0.498 77 G N 0.154 108.890 108.800 -0.107 0.000 2.195 77 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.224 77 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.224 77 G C -0.296 174.209 174.900 -0.659 0.000 0.990 77 G CA -0.224 44.675 45.100 -0.336 0.000 0.639 77 G HN 0.817 nan 8.290 nan 0.000 0.514 78 F N 0.158 120.093 119.950 -0.025 0.000 2.601 78 F HA 0.676 5.203 4.527 -0.000 0.000 0.309 78 F C 0.555 176.349 175.800 -0.010 0.000 1.089 78 F CA -0.226 57.765 58.000 -0.016 0.000 0.940 78 F CB 1.964 40.956 39.000 -0.013 0.000 1.273 78 F HN 0.306 nan 8.300 nan 0.000 0.450 79 G N 0.783 109.692 108.800 0.182 0.000 2.454 79 G HA2 0.571 4.531 3.960 -0.000 0.000 0.329 79 G HA3 0.571 4.531 3.960 -0.000 0.000 0.329 79 G C -1.113 173.849 174.900 0.104 0.000 1.177 79 G CA -0.902 44.262 45.100 0.106 0.000 0.951 79 G HN 0.487 nan 8.290 nan 0.000 0.485 80 V N 0.955 120.911 119.914 0.071 0.000 2.617 80 V HA 0.371 4.491 4.120 -0.000 0.000 0.304 80 V C 1.682 177.810 176.094 0.056 0.000 1.040 80 V CA 2.040 64.376 62.300 0.059 0.000 1.149 80 V CB 0.501 32.352 31.823 0.047 0.000 0.914 80 V HN 1.880 nan 8.190 nan 0.000 0.487 81 G N 3.681 112.512 108.800 0.052 0.000 2.232 81 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.226 81 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.226 81 G C -0.057 174.872 174.900 0.048 0.000 0.996 81 G CA -0.021 45.105 45.100 0.043 0.000 0.626 81 G HN 0.680 nan 8.290 nan 0.000 0.509 82 D N 1.748 122.192 120.400 0.072 0.000 2.458 82 D HA 0.515 5.155 4.640 -0.000 0.000 0.243 82 D C 0.775 177.109 176.300 0.056 0.000 1.146 82 D CA 1.032 55.090 54.000 0.097 0.000 0.877 82 D CB 1.212 42.137 40.800 0.208 0.000 1.176 82 D HN 0.771 nan 8.370 nan 0.000 0.461 83 A N 2.336 125.186 122.820 0.050 0.000 2.362 83 A HA 0.525 4.845 4.320 -0.000 0.000 0.276 83 A C 0.065 177.664 177.584 0.025 0.000 1.153 83 A CA -0.435 51.617 52.037 0.025 0.000 0.813 83 A CB 0.245 19.258 19.000 0.021 0.000 1.081 83 A HN 0.412 nan 8.150 nan 0.000 0.507 84 V N -0.836 119.070 119.914 -0.013 0.000 3.114 84 V HA 0.942 5.062 4.120 -0.000 0.000 0.308 84 V C -0.041 176.041 176.094 -0.020 0.000 1.168 84 V CA -0.523 61.756 62.300 -0.035 0.000 1.015 84 V CB 1.234 32.953 31.823 -0.172 0.000 1.050 84 V HN 1.600 nan 8.190 nan 0.000 0.433 85 A N 1.858 124.677 122.820 -0.000 0.000 2.325 85 A HA 0.884 5.204 4.320 -0.000 0.000 0.333 85 A C -0.500 177.108 177.584 0.040 0.000 1.155 85 A CA -0.786 51.264 52.037 0.022 0.000 0.814 85 A CB 1.699 20.719 19.000 0.035 0.000 1.206 85 A HN 1.381 nan 8.150 nan 0.000 0.482 86 V N 2.360 122.312 119.914 0.063 0.000 2.383 86 V HA 0.144 4.264 4.120 -0.000 0.000 0.275 86 V C -0.478 175.682 176.094 0.110 0.000 1.036 86 V CA -0.275 62.093 62.300 0.112 0.000 0.889 86 V CB 0.643 32.542 31.823 0.127 0.000 0.985 86 V HN 0.755 nan 8.190 nan 0.000 0.459 87 Y N 4.198 124.516 120.300 0.029 0.000 2.436 87 Y HA 0.462 5.012 4.550 -0.000 0.000 0.336 87 Y C 1.207 176.996 175.900 -0.186 0.000 1.049 87 Y CA 0.368 58.408 58.100 -0.100 0.000 1.294 87 Y CB 1.291 39.729 38.460 -0.036 0.000 1.179 87 Y HN 0.673 nan 8.280 nan 0.000 0.520 88 G N 5.904 113.999 108.800 -1.174 0.000 2.437 88 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.212 88 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.212 88 G C -1.771 172.165 174.900 -1.606 0.000 1.174 88 G CA -0.066 44.220 45.100 -1.356 0.000 0.811 88 G HN 0.606 nan 8.290 nan 0.000 0.537 89 P HA 0.092 nan 4.420 nan 0.000 0.237 89 P C -0.604 176.473 177.300 -0.371 0.000 1.788 89 P CA -0.884 61.636 63.100 -0.966 0.000 1.061 89 P CB -0.397 30.755 31.700 -0.913 0.000 1.967 90 W N 2.303 123.312 121.300 -0.485 0.000 2.257 90 W HA 0.307 4.967 4.660 -0.000 0.000 0.337 90 W C 1.035 177.514 176.519 -0.067 0.000 1.321 90 W CA 0.408 57.523 57.345 -0.382 0.000 1.267 90 W CB -0.195 29.070 29.460 -0.325 0.000 1.187 90 W HN 0.241 nan 8.180 nan 0.000 0.565 91 G N 0.925 109.902 108.800 0.294 0.000 3.013 91 G HA2 0.414 4.374 3.960 -0.000 0.000 0.278 91 G HA3 0.414 4.374 3.960 -0.000 0.000 0.278 91 G C 0.427 175.447 174.900 0.200 0.000 1.353 91 G CA -0.233 45.002 45.100 0.225 0.000 1.043 91 G HN 0.711 nan 8.290 nan 0.000 0.523 92 C N -2.151 117.234 119.300 0.143 0.000 2.446 92 C HA 0.443 4.903 4.460 -0.000 0.000 0.279 92 C C 2.275 177.308 174.990 0.072 0.000 1.366 92 C CA 0.712 59.792 59.018 0.103 0.000 1.763 92 C CB -0.840 26.951 27.740 0.085 0.000 1.929 92 C HN 2.167 nan 8.230 nan 0.000 0.509 93 G N 0.177 109.021 108.800 0.074 0.000 2.176 93 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.253 93 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.253 93 G C 0.881 175.790 174.900 0.014 0.000 0.979 93 G CA 0.684 45.801 45.100 0.027 0.000 0.641 93 G HN 1.589 nan 8.290 nan 0.000 0.530 94 A N -0.987 121.853 122.820 0.033 0.000 2.312 94 A HA 0.553 4.873 4.320 -0.000 0.000 0.215 94 A C 1.699 179.311 177.584 0.047 0.000 1.256 94 A CA 1.500 53.554 52.037 0.029 0.000 0.966 94 A CB -0.468 18.548 19.000 0.026 0.000 1.053 94 A HN 1.869 nan 8.150 nan 0.000 0.510 95 C N -1.715 117.625 119.300 0.068 0.000 2.639 95 C HA 0.376 4.836 4.460 -0.000 0.000 0.360 95 C C 1.857 176.914 174.990 0.111 0.000 1.351 95 C CA 0.208 59.285 59.018 0.097 0.000 2.408 95 C CB -0.327 27.480 27.740 0.111 0.000 2.517 95 C HN 0.626 nan 8.230 nan 0.000 0.696 96 H N 0.842 119.942 119.070 0.051 0.000 2.319 96 H HA -0.150 4.406 4.556 -0.000 0.000 0.297 96 H C 2.166 177.534 175.328 0.067 0.000 1.097 96 H CA 2.796 58.874 56.048 0.051 0.000 1.285 96 H CB -0.300 29.490 29.762 0.047 0.000 1.368 96 H HN 0.883 nan 8.280 nan 0.000 0.495 97 A N 0.350 123.273 122.820 0.171 0.000 1.858 97 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 97 A C 2.988 180.620 177.584 0.080 0.000 1.190 97 A CA 1.550 53.675 52.037 0.146 0.000 0.617 97 A CB -1.256 17.877 19.000 0.221 0.000 0.827 97 A HN 0.618 nan 8.150 nan 0.000 0.443 98 C N -0.924 118.424 119.300 0.080 0.000 2.425 98 C HA 0.063 4.523 4.460 -0.000 0.000 0.277 98 C C 3.245 178.234 174.990 -0.001 0.000 1.280 98 C CA 0.652 59.702 59.018 0.054 0.000 1.744 98 C CB -1.400 26.382 27.740 0.069 0.000 1.989 98 C HN 0.695 nan 8.230 nan 0.000 0.491 99 A N 0.232 123.034 122.820 -0.029 0.000 2.125 99 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 99 A C 2.044 179.576 177.584 -0.087 0.000 1.156 99 A CA 1.198 53.195 52.037 -0.067 0.000 0.671 99 A CB -0.410 18.535 19.000 -0.090 0.000 0.794 99 A HN 0.736 nan 8.150 nan 0.000 0.459 100 R N -1.613 118.835 120.500 -0.086 0.000 2.388 100 R HA 0.268 4.608 4.340 -0.000 0.000 0.247 100 R C 1.236 177.521 176.300 -0.024 0.000 0.931 100 R CA 0.467 56.532 56.100 -0.059 0.000 1.082 100 R CB 0.058 30.325 30.300 -0.055 0.000 1.135 100 R HN 0.597 nan 8.270 nan 0.000 0.525 101 G N 1.754 110.533 108.800 -0.035 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 0.404 175.286 174.900 -0.032 0.000 0.975 101 G CA -0.027 45.035 45.100 -0.063 0.000 0.642 101 G HN 0.345 nan 8.290 nan 0.000 0.536 102 R N 0.768 121.292 120.500 0.040 0.000 4.792 102 R HA 0.277 4.616 4.340 -0.000 0.000 0.205 102 R C 1.317 177.674 176.300 0.096 0.000 1.875 102 R CA 0.099 56.251 56.100 0.088 0.000 1.588 102 R CB -0.061 30.364 30.300 0.208 0.000 1.401 102 R HN 0.533 nan 8.270 nan 0.000 0.834 103 E N 1.150 121.409 120.200 0.099 0.000 2.268 103 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 103 E C 1.224 177.887 176.600 0.105 0.000 0.995 103 E CA 0.766 57.258 56.400 0.152 0.000 0.836 103 E CB 0.106 29.962 29.700 0.260 0.000 0.763 103 E HN 0.539 nan 8.360 nan 0.000 0.491 104 N N 0.570 119.244 118.700 -0.044 0.000 2.364 104 N HA -0.203 4.537 4.740 -0.000 0.000 0.183 104 N C 0.728 176.216 175.510 -0.036 0.000 1.022 104 N CA 1.168 54.112 53.050 -0.177 0.000 0.883 104 N CB -0.381 37.755 38.487 -0.586 0.000 0.965 104 N HN 0.263 nan 8.380 nan 0.000 0.438 105 Y N 0.411 120.828 120.300 0.196 0.000 2.658 105 Y HA 0.301 4.851 4.550 -0.000 0.000 0.276 105 Y C 0.639 176.627 175.900 0.148 0.000 1.167 105 Y CA -1.993 56.216 58.100 0.181 0.000 1.230 105 Y CB -0.801 37.759 38.460 0.165 0.000 1.144 105 Y HN 0.057 nan 8.280 nan 0.000 0.529 106 C N 2.298 121.747 119.300 0.248 0.000 2.538 106 C HA 0.053 4.513 4.460 -0.000 0.000 0.408 106 C C 1.888 176.980 174.990 0.170 0.000 1.421 106 C CA 1.266 60.398 59.018 0.190 0.000 1.642 106 C CB -0.336 27.503 27.740 0.165 0.000 2.553 106 C HN 0.735 nan 8.230 nan 0.000 0.604 107 T N 3.068 117.708 114.554 0.143 0.000 3.107 107 T HA 0.159 4.509 4.350 -0.000 0.000 0.249 107 T C 1.474 176.229 174.700 0.092 0.000 1.096 107 T CA 0.325 62.494 62.100 0.114 0.000 1.012 107 T CB -0.103 68.826 68.868 0.101 0.000 0.977 107 T HN 0.805 nan 8.240 nan 0.000 0.527 108 R N 0.383 120.940 120.500 0.096 0.000 2.307 108 R HA 0.495 4.835 4.340 -0.000 0.000 0.200 108 R C 2.541 178.891 176.300 0.083 0.000 0.893 108 R CA 0.765 56.914 56.100 0.081 0.000 1.042 108 R CB -0.523 29.823 30.300 0.078 0.000 1.059 108 R HN 0.457 nan 8.270 nan 0.000 0.530 109 A N 1.757 124.636 122.820 0.099 0.000 1.908 109 A HA -0.116 4.203 4.320 -0.000 0.000 0.218 109 A C 2.337 179.970 177.584 0.083 0.000 1.181 109 A CA 1.947 54.046 52.037 0.103 0.000 0.627 109 A CB -0.504 18.570 19.000 0.124 0.000 0.818 109 A HN 0.281 nan 8.150 nan 0.000 0.445 110 A N 0.261 123.123 122.820 0.071 0.000 1.851 110 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 110 A C 1.792 179.407 177.584 0.052 0.000 1.195 110 A CA 1.996 54.066 52.037 0.055 0.000 0.622 110 A CB -0.821 18.205 19.000 0.044 0.000 0.831 110 A HN 0.470 nan 8.150 nan 0.000 0.444 111 D N -0.112 120.319 120.400 0.051 0.000 2.182 111 D HA -0.118 4.521 4.640 -0.000 0.000 0.201 111 D C 1.636 177.964 176.300 0.047 0.000 0.986 111 D CA 1.111 55.138 54.000 0.045 0.000 0.847 111 D CB -0.275 40.551 40.800 0.043 0.000 0.942 111 D HN 0.477 nan 8.370 nan 0.000 0.467 112 L N -0.602 120.655 121.223 0.057 0.000 2.592 112 L HA 0.199 4.538 4.340 -0.000 0.000 0.227 112 L C 1.210 178.119 176.870 0.065 0.000 1.127 112 L CA 0.141 55.017 54.840 0.060 0.000 0.884 112 L CB -0.047 42.053 42.059 0.068 0.000 1.065 112 L HN 0.033 nan 8.230 nan 0.000 0.457 113 G N 1.661 110.499 108.800 0.063 0.000 2.273 113 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.280 113 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.280 113 G C 0.100 175.049 174.900 0.081 0.000 1.047 113 G CA -0.055 45.083 45.100 0.064 0.000 0.869 113 G HN 0.348 nan 8.290 nan 0.000 0.502 114 I N 2.030 122.659 120.570 0.098 0.000 2.301 114 I HA 0.353 4.523 4.170 -0.000 0.000 0.292 114 I C 0.959 177.139 176.117 0.105 0.000 1.046 114 I CA 0.067 61.452 61.300 0.142 0.000 1.282 114 I CB 0.872 38.977 38.000 0.175 0.000 1.409 114 I HN 0.312 nan 8.210 nan 0.000 0.484 115 T N 3.851 118.440 114.554 0.058 0.000 2.932 115 T HA 0.607 4.957 4.350 -0.000 0.000 0.289 115 T C -2.779 171.746 174.700 -0.291 0.000 1.039 115 T CA -2.478 59.568 62.100 -0.090 0.000 1.024 115 T CB 2.010 70.798 68.868 -0.133 0.000 1.090 115 T HN 0.098 nan 8.240 nan 0.000 0.496 116 P HA 0.369 nan 4.420 nan 0.000 0.275 116 P C -2.679 174.212 177.300 -0.682 0.000 1.228 116 P CA -1.613 61.057 63.100 -0.716 0.000 0.786 116 P CB -0.527 31.000 31.700 -0.289 0.000 0.927 117 P HA 0.039 nan 4.420 nan 0.000 0.264 117 P C 1.022 178.220 177.300 -0.171 0.000 1.193 117 P CA 1.256 64.096 63.100 -0.435 0.000 0.763 117 P CB -0.011 31.488 31.700 -0.334 0.000 0.810 118 G N 2.570 111.315 108.800 -0.092 0.000 2.199 118 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.254 118 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.254 118 G C 0.197 175.064 174.900 -0.055 0.000 0.982 118 G CA 0.031 45.141 45.100 0.016 0.000 0.632 118 G HN 0.515 nan 8.290 nan 0.000 0.529 119 L N -0.448 120.609 121.223 -0.277 0.000 3.186 119 L HA 0.588 4.928 4.340 -0.000 0.000 0.317 119 L C 1.364 177.614 176.870 -1.034 0.000 1.296 119 L CA 0.398 54.824 54.840 -0.691 0.000 0.870 119 L CB 0.600 42.276 42.059 -0.638 0.000 1.302 119 L HN 0.824 nan 8.230 nan 0.000 0.590 120 G N -1.154 107.339 108.800 -0.511 0.000 2.797 120 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.195 120 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.195 120 G C 0.163 174.989 174.900 -0.124 0.000 1.026 120 G CA -0.121 44.807 45.100 -0.287 0.000 0.759 120 G HN 0.242 nan 8.290 nan 0.000 0.475 121 S N 1.852 117.450 115.700 -0.171 0.000 2.664 121 S HA 0.722 5.192 4.470 -0.000 0.000 0.304 121 S C -2.837 171.726 174.600 -0.062 0.000 1.099 121 S CA -1.087 57.057 58.200 -0.092 0.000 1.003 121 S CB 2.309 65.417 63.200 -0.153 0.000 1.092 121 S HN 0.124 nan 8.310 nan 0.000 0.525 122 P HA 0.184 nan 4.420 nan 0.000 0.267 122 P C 0.065 177.377 177.300 0.021 0.000 1.205 122 P CA 0.167 63.288 63.100 0.035 0.000 0.765 122 P CB 0.149 31.890 31.700 0.067 0.000 0.828 123 G N 1.238 110.056 108.800 0.031 0.000 2.510 123 G HA2 0.296 4.256 3.960 -0.000 0.000 0.280 123 G HA3 0.296 4.256 3.960 -0.000 0.000 0.280 123 G C 0.875 175.806 174.900 0.052 0.000 1.386 123 G CA -0.191 44.928 45.100 0.031 0.000 1.047 123 G HN 0.440 nan 8.290 nan 0.000 0.527 124 S N -1.672 114.056 115.700 0.048 0.000 2.535 124 S HA 0.127 4.597 4.470 -0.000 0.000 0.214 124 S C 1.345 175.966 174.600 0.035 0.000 0.980 124 S CA -0.056 58.170 58.200 0.043 0.000 0.907 124 S CB -0.079 63.141 63.200 0.032 0.000 0.790 124 S HN 0.353 nan 8.310 nan 0.000 0.510 125 M N 2.589 122.217 119.600 0.046 0.000 3.436 125 M HA 0.516 4.996 4.480 -0.000 0.000 0.240 125 M C -0.330 176.001 176.300 0.051 0.000 1.469 125 M CA -0.025 55.302 55.300 0.046 0.000 1.622 125 M CB -0.661 31.982 32.600 0.072 0.000 1.098 125 M HN 0.521 nan 8.290 nan 0.000 0.568 126 A N 1.836 124.679 122.820 0.038 0.000 2.544 126 A HA 0.325 4.645 4.320 -0.000 0.000 0.291 126 A C 0.030 177.623 177.584 0.014 0.000 1.055 126 A CA -0.734 51.333 52.037 0.049 0.000 0.651 126 A CB 0.879 19.926 19.000 0.078 0.000 1.296 126 A HN 0.646 nan 8.150 nan 0.000 0.431 127 E N -0.812 119.402 120.200 0.023 0.000 2.150 127 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 127 E C -0.637 175.770 176.600 -0.321 0.000 0.985 127 E CA 1.507 57.844 56.400 -0.105 0.000 0.814 127 E CB -0.016 29.683 29.700 -0.002 0.000 0.752 127 E HN 0.531 nan 8.360 nan 0.000 0.466 128 Y N -0.631 119.686 120.300 0.029 0.000 2.581 128 Y HA 0.416 4.966 4.550 -0.000 0.000 0.345 128 Y C -0.069 175.854 175.900 0.039 0.000 1.036 128 Y CA -1.216 56.902 58.100 0.030 0.000 1.042 128 Y CB 1.702 40.178 38.460 0.027 0.000 1.289 128 Y HN -0.159 nan 8.280 nan 0.000 0.471 129 M N 1.715 121.436 119.600 0.202 0.000 2.575 129 M HA 0.684 5.164 4.480 -0.000 0.000 0.284 129 M C -2.216 174.175 176.300 0.152 0.000 1.253 129 M CA -0.821 54.571 55.300 0.153 0.000 0.861 129 M CB 2.460 35.129 32.600 0.115 0.000 1.733 129 M HN 0.357 nan 8.290 nan 0.000 0.462 130 I N 2.845 123.508 120.570 0.155 0.000 2.353 130 I HA 0.514 4.684 4.170 -0.000 0.000 0.293 130 I C -0.520 175.737 176.117 0.234 0.000 0.992 130 I CA -0.737 60.657 61.300 0.156 0.000 1.268 130 I CB 1.710 39.794 38.000 0.140 0.000 1.387 130 I HN 0.575 nan 8.210 nan 0.000 0.478 131 V N 6.001 126.010 119.914 0.157 0.000 2.513 131 V HA 0.189 4.309 4.120 -0.000 0.000 0.299 131 V C 0.969 177.001 176.094 -0.103 0.000 1.035 131 V CA -0.639 61.743 62.300 0.137 0.000 0.889 131 V CB 1.825 33.696 31.823 0.081 0.000 0.988 131 V HN 0.785 nan 8.190 nan 0.000 0.440 132 D N 2.015 122.132 120.400 -0.473 0.000 2.224 132 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 132 D C 0.788 176.895 176.300 -0.322 0.000 0.965 132 D CA 0.997 54.749 54.000 -0.414 0.000 0.852 132 D CB 0.535 40.950 40.800 -0.641 0.000 0.947 132 D HN 0.489 nan 8.370 nan 0.000 0.494 133 S N -2.077 113.396 115.700 -0.379 0.000 2.547 133 S HA 0.554 5.024 4.470 -0.000 0.000 0.270 133 S C 0.300 174.735 174.600 -0.275 0.000 1.150 133 S CA -0.132 57.873 58.200 -0.325 0.000 0.850 133 S CB 1.364 64.293 63.200 -0.451 0.000 1.118 133 S HN 0.120 nan 8.310 nan 0.000 0.461 134 A N 3.271 126.004 122.820 -0.145 0.000 1.972 134 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 134 A C 1.967 179.555 177.584 0.006 0.000 1.169 134 A CA 1.762 53.808 52.037 0.014 0.000 0.635 134 A CB -0.786 18.306 19.000 0.153 0.000 0.810 134 A HN 0.945 nan 8.150 nan 0.000 0.446 135 R N -0.841 119.548 120.500 -0.184 0.000 2.328 135 R HA -0.089 4.251 4.340 -0.000 0.000 0.207 135 R C 0.561 176.731 176.300 -0.216 0.000 1.056 135 R CA 1.688 57.657 56.100 -0.218 0.000 1.016 135 R CB -0.721 29.395 30.300 -0.306 0.000 0.872 135 R HN 0.710 nan 8.270 nan 0.000 0.471 136 H N -0.041 118.961 119.070 -0.113 0.000 2.505 136 H HA 0.327 4.883 4.556 -0.000 0.000 0.289 136 H C -0.401 174.931 175.328 0.007 0.000 1.052 136 H CA -0.592 55.431 56.048 -0.041 0.000 1.156 136 H CB 0.392 30.048 29.762 -0.177 0.000 1.507 136 H HN 0.018 nan 8.280 nan 0.000 0.548 137 L N 1.279 122.520 121.223 0.030 0.000 2.346 137 L HA 0.500 4.840 4.340 -0.000 0.000 0.276 137 L C -0.762 176.147 176.870 0.064 0.000 1.006 137 L CA -1.022 53.764 54.840 -0.090 0.000 0.817 137 L CB 2.663 44.370 42.059 -0.587 0.000 1.272 137 L HN -0.044 nan 8.230 nan 0.000 0.421 138 V N 3.465 123.417 119.914 0.063 0.000 2.531 138 V HA 0.386 4.506 4.120 -0.000 0.000 0.301 138 V C -2.249 173.916 176.094 0.118 0.000 1.034 138 V CA -1.808 60.564 62.300 0.120 0.000 0.865 138 V CB 2.347 34.212 31.823 0.069 0.000 0.995 138 V HN 0.568 nan 8.190 nan 0.000 0.424 139 P HA 0.232 nan 4.420 nan 0.000 0.268 139 P C 0.490 177.834 177.300 0.074 0.000 1.204 139 P CA 0.168 63.361 63.100 0.156 0.000 0.768 139 P CB 0.423 32.214 31.700 0.151 0.000 0.842 140 I N -0.983 119.620 120.570 0.054 0.000 4.154 140 I HA 0.366 4.536 4.170 -0.000 0.000 0.334 140 I C 1.077 177.209 176.117 0.024 0.000 1.371 140 I CA -0.185 61.133 61.300 0.029 0.000 1.110 140 I CB -0.226 37.786 38.000 0.019 0.000 1.085 140 I HN 0.482 nan 8.210 nan 0.000 0.398 141 G N 3.761 112.580 108.800 0.032 0.000 2.634 141 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.309 141 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.309 141 G C 0.402 175.311 174.900 0.016 0.000 1.265 141 G CA 0.990 46.104 45.100 0.024 0.000 0.998 141 G HN 0.739 nan 8.290 nan 0.000 0.551 142 D N 0.878 121.284 120.400 0.010 0.000 2.358 142 D HA 0.244 4.884 4.640 -0.000 0.000 0.224 142 D C 1.149 177.451 176.300 0.002 0.000 1.123 142 D CA -0.271 53.732 54.000 0.005 0.000 0.833 142 D CB -0.419 40.383 40.800 0.003 0.000 0.946 142 D HN 0.550 nan 8.370 nan 0.000 0.505 143 L N 1.150 122.375 121.223 0.003 0.000 2.499 143 L HA 0.015 4.355 4.340 -0.000 0.000 0.273 143 L C 0.639 177.507 176.870 -0.002 0.000 1.195 143 L CA -0.209 54.630 54.840 -0.000 0.000 0.882 143 L CB 0.274 42.334 42.059 0.001 0.000 1.133 143 L HN 0.014 nan 8.230 nan 0.000 0.483 144 D N 5.410 125.807 120.400 -0.006 0.000 2.472 144 D HA -0.011 4.629 4.640 -0.000 0.000 0.248 144 D C -1.664 174.631 176.300 -0.007 0.000 1.174 144 D CA -0.982 53.013 54.000 -0.009 0.000 0.883 144 D CB 1.115 41.907 40.800 -0.013 0.000 1.149 144 D HN 0.199 nan 8.370 nan 0.000 0.488 145 P HA -0.140 nan 4.420 nan 0.000 0.218 145 P C 1.452 178.749 177.300 -0.006 0.000 1.149 145 P CA 0.428 63.524 63.100 -0.007 0.000 0.817 145 P CB 0.228 31.920 31.700 -0.012 0.000 0.785 146 V N 0.322 120.231 119.914 -0.009 0.000 2.343 146 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 146 V C 2.407 178.502 176.094 0.002 0.000 1.051 146 V CA 2.323 64.619 62.300 -0.007 0.000 1.036 146 V CB -1.704 30.109 31.823 -0.017 0.000 0.654 146 V HN 0.113 nan 8.190 nan 0.000 0.451 147 A N -0.593 122.227 122.820 0.000 0.000 2.067 147 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 147 A C 2.279 179.871 177.584 0.013 0.000 1.156 147 A CA 1.493 53.536 52.037 0.010 0.000 0.683 147 A CB -0.394 18.608 19.000 0.003 0.000 0.808 147 A HN 0.536 nan 8.150 nan 0.000 0.455 148 A N -0.229 122.595 122.820 0.007 0.000 1.935 148 A HA 0.376 4.695 4.320 -0.000 0.000 0.214 148 A C 2.419 180.010 177.584 0.013 0.000 1.178 148 A CA 1.346 53.388 52.037 0.008 0.000 0.640 148 A CB -0.850 18.153 19.000 0.005 0.000 0.825 148 A HN 0.894 nan 8.150 nan 0.000 0.447 149 A N 0.766 123.593 122.820 0.012 0.000 1.892 149 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 149 A C 0.059 177.655 177.584 0.020 0.000 1.188 149 A CA 2.087 54.133 52.037 0.014 0.000 0.631 149 A CB -1.743 17.260 19.000 0.004 0.000 0.822 149 A HN 0.440 nan 8.150 nan 0.000 0.447 150 P HA -0.076 nan 4.420 nan 0.000 0.225 150 P C 1.204 178.520 177.300 0.027 0.000 1.148 150 P CA 0.605 63.720 63.100 0.024 0.000 0.779 150 P CB -0.176 31.548 31.700 0.040 0.000 0.780 151 L N -0.798 120.439 121.223 0.023 0.000 2.187 151 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 151 L C 2.184 179.088 176.870 0.056 0.000 1.100 151 L CA 2.029 56.881 54.840 0.020 0.000 0.765 151 L CB -1.644 40.418 42.059 0.004 0.000 0.904 151 L HN 0.164 nan 8.230 nan 0.000 0.437 152 T N -5.224 109.379 114.554 0.082 0.000 3.118 152 T HA -0.090 4.260 4.350 -0.000 0.000 0.260 152 T C 1.111 175.991 174.700 0.299 0.000 1.139 152 T CA 1.142 63.326 62.100 0.139 0.000 1.085 152 T CB 0.223 69.164 68.868 0.123 0.000 0.934 152 T HN 0.346 nan 8.240 nan 0.000 0.518 153 D N 0.043 120.576 120.400 0.222 0.000 2.410 153 D HA 0.292 4.932 4.640 -0.000 0.000 0.218 153 D C 2.022 178.362 176.300 0.067 0.000 1.359 153 D CA 0.550 54.678 54.000 0.213 0.000 1.348 153 D CB -0.525 40.340 40.800 0.110 0.000 1.797 153 D HN 0.196 nan 8.370 nan 0.000 0.409 154 A N 0.701 123.533 122.820 0.020 0.000 2.024 154 A HA 0.141 4.461 4.320 -0.000 0.000 0.220 154 A C 2.044 179.602 177.584 -0.044 0.000 1.164 154 A CA 2.493 54.513 52.037 -0.029 0.000 0.643 154 A CB -0.916 18.073 19.000 -0.019 0.000 0.806 154 A HN 0.362 nan 8.150 nan 0.000 0.451 155 G N -0.700 108.103 108.800 0.006 0.000 2.447 155 G HA2 0.100 4.060 3.960 -0.000 0.000 0.211 155 G HA3 0.100 4.060 3.960 -0.000 0.000 0.211 155 G C 1.408 176.370 174.900 0.102 0.000 1.184 155 G CA 0.737 45.846 45.100 0.016 0.000 0.813 155 G HN 0.421 nan 8.290 nan 0.000 0.540 156 L N 1.372 122.677 121.223 0.136 0.000 2.012 156 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 156 L C 2.830 179.879 176.870 0.298 0.000 1.073 156 L CA 2.673 57.640 54.840 0.213 0.000 0.748 156 L CB -1.012 41.184 42.059 0.229 0.000 0.891 156 L HN 0.205 nan 8.230 nan 0.000 0.431 157 T N 0.416 115.123 114.554 0.254 0.000 2.674 157 T HA -0.070 4.280 4.350 -0.000 0.000 0.265 157 T C -0.401 174.479 174.700 0.301 0.000 1.039 157 T CA 1.898 64.150 62.100 0.255 0.000 1.150 157 T CB -1.129 67.810 68.868 0.118 0.000 0.864 157 T HN 0.308 nan 8.240 nan 0.000 0.427 158 P HA -0.068 nan 4.420 nan 0.000 0.217 158 P C 1.030 178.418 177.300 0.146 0.000 1.150 158 P CA 0.846 64.098 63.100 0.252 0.000 0.832 158 P CB -0.126 31.580 31.700 0.011 0.000 0.787 159 Y N -0.293 120.048 120.300 0.068 0.000 2.128 159 Y HA -0.299 4.251 4.550 -0.000 0.000 0.284 159 Y C 2.716 178.678 175.900 0.103 0.000 1.154 159 Y CA 2.051 60.183 58.100 0.053 0.000 1.149 159 Y CB -0.892 37.607 38.460 0.064 0.000 0.976 159 Y HN 0.014 nan 8.280 nan 0.000 0.505 160 H N -0.230 118.979 119.070 0.233 0.000 2.321 160 H HA -0.120 4.436 4.556 -0.000 0.000 0.300 160 H C 2.155 177.559 175.328 0.125 0.000 1.087 160 H CA 1.853 58.012 56.048 0.184 0.000 1.319 160 H CB -0.548 29.344 29.762 0.216 0.000 1.379 160 H HN 0.368 nan 8.280 nan 0.000 0.501 161 A N 0.556 123.421 122.820 0.076 0.000 1.883 161 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 161 A C 2.598 180.218 177.584 0.059 0.000 1.186 161 A CA 1.809 53.898 52.037 0.088 0.000 0.624 161 A CB -0.907 18.244 19.000 0.252 0.000 0.822 161 A HN 0.511 nan 8.150 nan 0.000 0.444 162 I N -0.270 120.191 120.570 -0.182 0.000 2.226 162 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 162 I C 2.556 178.566 176.117 -0.179 0.000 1.100 162 I CA 1.434 62.553 61.300 -0.302 0.000 1.374 162 I CB -0.194 37.498 38.000 -0.513 0.000 1.057 162 I HN 0.194 nan 8.210 nan 0.000 0.413 163 S N 0.257 115.793 115.700 -0.273 0.000 2.423 163 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 163 S C 1.986 176.496 174.600 -0.150 0.000 1.014 163 S CA 0.875 58.931 58.200 -0.239 0.000 0.965 163 S CB -0.258 62.803 63.200 -0.231 0.000 0.785 163 S HN 0.361 nan 8.310 nan 0.000 0.495 164 R N 0.748 121.138 120.500 -0.183 0.000 2.127 164 R HA -0.074 4.266 4.340 -0.000 0.000 0.238 164 R C 1.408 177.606 176.300 -0.169 0.000 1.134 164 R CA 1.579 57.576 56.100 -0.171 0.000 0.975 164 R CB -0.212 29.971 30.300 -0.194 0.000 0.865 164 R HN 0.481 nan 8.270 nan 0.000 0.447 165 V N -2.838 116.982 119.914 -0.158 0.000 3.111 165 V HA 0.127 4.246 4.120 -0.000 0.000 0.343 165 V C 1.121 177.180 176.094 -0.058 0.000 1.417 165 V CA -0.256 61.946 62.300 -0.164 0.000 1.142 165 V CB 0.406 32.031 31.823 -0.330 0.000 1.114 165 V HN -0.009 nan 8.190 nan 0.000 0.520 166 L N 2.031 123.221 121.223 -0.056 0.000 2.089 166 L HA 0.051 4.391 4.340 -0.000 0.000 0.213 166 L C -0.249 176.608 176.870 -0.020 0.000 1.079 166 L CA 2.581 57.397 54.840 -0.040 0.000 0.758 166 L CB -1.431 40.585 42.059 -0.071 0.000 0.891 166 L HN 0.326 nan 8.230 nan 0.000 0.433 167 P HA -0.108 nan 4.420 nan 0.000 0.225 167 P C 1.927 179.222 177.300 -0.009 0.000 1.148 167 P CA 1.065 64.156 63.100 -0.014 0.000 0.779 167 P CB -0.007 31.682 31.700 -0.017 0.000 0.780 168 L N -1.658 119.559 121.223 -0.010 0.000 2.313 168 L HA -0.019 4.321 4.340 -0.000 0.000 0.214 168 L C 1.204 178.084 176.870 0.017 0.000 1.119 168 L CA 0.627 55.467 54.840 -0.000 0.000 0.809 168 L CB -0.470 41.585 42.059 -0.007 0.000 0.933 168 L HN -0.021 nan 8.230 nan 0.000 0.449 169 L N 0.764 122.002 121.223 0.026 0.000 2.865 169 L HA 0.267 4.607 4.340 -0.000 0.000 0.233 169 L C 0.973 177.858 176.870 0.026 0.000 1.320 169 L CA -0.613 54.252 54.840 0.041 0.000 1.225 169 L CB -0.354 41.742 42.059 0.062 0.000 1.542 169 L HN 0.019 nan 8.230 nan 0.000 0.432 170 G N 0.641 109.452 108.800 0.020 0.000 2.588 170 G HA2 0.390 4.350 3.960 -0.000 0.000 0.281 170 G HA3 0.390 4.350 3.960 -0.000 0.000 0.281 170 G C -2.601 172.310 174.900 0.018 0.000 1.236 170 G CA -1.203 43.907 45.100 0.015 0.000 0.969 170 G HN 0.105 nan 8.290 nan 0.000 0.504 171 P HA 0.219 nan 4.420 nan 0.000 0.265 171 P C 0.870 178.179 177.300 0.015 0.000 1.193 171 P CA 1.474 64.584 63.100 0.015 0.000 0.765 171 P CB 1.017 32.725 31.700 0.013 0.000 0.823 172 G N 1.600 110.410 108.800 0.016 0.000 2.241 172 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 172 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 172 G C 0.439 175.349 174.900 0.017 0.000 0.998 172 G CA 0.267 45.376 45.100 0.015 0.000 0.621 172 G HN 0.815 nan 8.290 nan 0.000 0.519 173 S N -0.226 115.487 115.700 0.021 0.000 2.614 173 S HA 0.698 5.168 4.470 -0.000 0.000 0.265 173 S C -0.036 174.584 174.600 0.032 0.000 1.303 173 S CA 0.803 59.018 58.200 0.025 0.000 1.000 173 S CB 1.968 65.187 63.200 0.032 0.000 0.935 173 S HN 0.700 nan 8.310 nan 0.000 0.551 174 T N 1.210 115.784 114.554 0.033 0.000 2.886 174 T HA 0.722 5.072 4.350 -0.000 0.000 0.292 174 T C -0.728 174.008 174.700 0.060 0.000 1.012 174 T CA -0.417 61.708 62.100 0.041 0.000 0.982 174 T CB 1.479 70.362 68.868 0.024 0.000 1.018 174 T HN 1.041 nan 8.240 nan 0.000 0.451 175 A N 2.834 125.713 122.820 0.098 0.000 2.304 175 A HA 0.754 5.074 4.320 -0.000 0.000 0.314 175 A C -0.417 177.257 177.584 0.150 0.000 1.187 175 A CA -0.595 51.542 52.037 0.166 0.000 0.810 175 A CB 0.816 19.999 19.000 0.304 0.000 1.183 175 A HN 0.673 nan 8.150 nan 0.000 0.487 176 V N 3.004 122.984 119.914 0.109 0.000 2.465 176 V HA 0.362 4.482 4.120 -0.000 0.000 0.279 176 V C -0.125 176.078 176.094 0.182 0.000 1.045 176 V CA -0.343 62.015 62.300 0.096 0.000 0.938 176 V CB 1.494 33.328 31.823 0.018 0.000 0.986 176 V HN 0.605 nan 8.190 nan 0.000 0.467 177 V N 6.703 126.735 119.914 0.197 0.000 2.357 177 V HA 0.467 4.586 4.120 -0.000 0.000 0.284 177 V C -0.129 176.091 176.094 0.210 0.000 1.018 177 V CA -0.327 62.145 62.300 0.287 0.000 0.841 177 V CB 1.473 33.477 31.823 0.301 0.000 0.991 177 V HN 0.650 nan 8.190 nan 0.000 0.437 178 I N 4.391 125.080 120.570 0.198 0.000 2.330 178 I HA 0.715 4.885 4.170 -0.000 0.000 0.289 178 I C 0.705 176.949 176.117 0.213 0.000 1.001 178 I CA -0.333 61.047 61.300 0.134 0.000 1.193 178 I CB 1.460 39.484 38.000 0.041 0.000 1.345 178 I HN 0.834 nan 8.210 nan 0.000 0.461 179 G N 4.550 113.446 108.800 0.161 0.000 3.251 179 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.680 179 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.680 179 G C -0.780 174.198 174.900 0.130 0.000 1.129 179 G CA -1.019 44.170 45.100 0.149 0.000 0.994 179 G HN 0.438 nan 8.290 nan 0.000 0.450 180 V N 3.277 123.234 119.914 0.071 0.000 2.306 180 V HA 0.638 4.758 4.120 -0.000 0.000 0.286 180 V C 1.378 177.484 176.094 0.019 0.000 1.404 180 V CA 0.697 63.022 62.300 0.042 0.000 1.467 180 V CB 0.051 31.891 31.823 0.029 0.000 1.459 180 V HN 1.159 nan 8.190 nan 0.000 0.518 181 G N 0.909 109.725 108.800 0.026 0.000 3.019 181 G HA2 0.513 4.473 3.960 -0.000 0.000 0.152 181 G HA3 0.513 4.473 3.960 -0.000 0.000 0.152 181 G C 1.149 176.106 174.900 0.095 0.000 1.320 181 G CA 0.246 45.361 45.100 0.025 0.000 1.013 181 G HN 0.446 nan 8.290 nan 0.000 0.593 182 G N -0.220 108.633 108.800 0.087 0.000 2.514 182 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 182 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 182 G C 1.748 176.701 174.900 0.089 0.000 1.198 182 G CA 1.301 46.492 45.100 0.153 0.000 0.780 182 G HN 0.287 nan 8.290 nan 0.000 0.565 183 L N 1.256 122.426 121.223 -0.088 0.000 2.027 183 L HA 0.162 4.502 4.340 -0.000 0.000 0.206 183 L C 3.161 179.669 176.870 -0.603 0.000 1.074 183 L CA 1.830 56.468 54.840 -0.337 0.000 0.745 183 L CB -0.982 40.844 42.059 -0.388 0.000 0.898 183 L HN 0.265 nan 8.230 nan 0.000 0.433 184 G N -1.091 107.393 108.800 -0.526 0.000 2.418 184 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 184 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 184 G C 1.533 176.301 174.900 -0.220 0.000 1.158 184 G CA 0.996 45.810 45.100 -0.477 0.000 0.771 184 G HN 0.632 nan 8.290 nan 0.000 0.545 185 H N 0.106 119.059 119.070 -0.195 0.000 2.495 185 H HA 0.085 4.641 4.556 -0.000 0.000 0.287 185 H C 2.068 177.322 175.328 -0.122 0.000 1.033 185 H CA 1.245 57.206 56.048 -0.145 0.000 1.307 185 H CB -0.380 29.284 29.762 -0.164 0.000 1.401 185 H HN 0.241 nan 8.280 nan 0.000 0.555 186 V N 0.996 120.505 119.914 -0.675 0.000 2.599 186 V HA 0.008 4.128 4.120 -0.000 0.000 0.245 186 V C 3.044 178.979 176.094 -0.266 0.000 1.046 186 V CA 1.174 63.178 62.300 -0.492 0.000 1.065 186 V CB -0.778 30.786 31.823 -0.432 0.000 0.703 186 V HN 0.597 nan 8.190 nan 0.000 0.464 187 G N 0.438 109.056 108.800 -0.303 0.000 2.442 187 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 187 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 187 G C 1.593 176.433 174.900 -0.100 0.000 1.141 187 G CA 1.044 46.024 45.100 -0.201 0.000 0.763 187 G HN 0.464 nan 8.290 nan 0.000 0.554 188 I N 0.340 120.863 120.570 -0.078 0.000 2.151 188 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 188 I C 3.070 179.171 176.117 -0.027 0.000 1.080 188 I CA 1.530 62.819 61.300 -0.020 0.000 1.339 188 I CB -0.214 37.782 38.000 -0.005 0.000 1.039 188 I HN 0.272 nan 8.210 nan 0.000 0.409 189 Q N 0.237 120.006 119.800 -0.052 0.000 2.123 189 Q HA -0.124 4.215 4.340 -0.000 0.000 0.199 189 Q C 2.349 178.341 176.000 -0.014 0.000 0.966 189 Q CA 1.263 57.048 55.803 -0.029 0.000 0.845 189 Q CB -0.040 28.673 28.738 -0.042 0.000 0.907 189 Q HN 0.545 nan 8.270 nan 0.000 0.439 190 I N 0.741 121.297 120.570 -0.023 0.000 2.179 190 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 190 I C 2.170 178.274 176.117 -0.022 0.000 1.088 190 I CA 1.142 62.449 61.300 0.011 0.000 1.357 190 I CB -0.290 37.728 38.000 0.031 0.000 1.051 190 I HN 0.175 nan 8.210 nan 0.000 0.409 191 L N 0.208 121.400 121.223 -0.052 0.000 2.013 191 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 191 L C 2.775 179.641 176.870 -0.006 0.000 1.073 191 L CA 1.378 56.193 54.840 -0.041 0.000 0.753 191 L CB -0.613 41.435 42.059 -0.020 0.000 0.890 191 L HN 0.218 nan 8.230 nan 0.000 0.432 192 R N -0.300 120.202 120.500 0.004 0.000 2.148 192 R HA -0.031 4.308 4.340 -0.000 0.000 0.227 192 R C 2.161 178.471 176.300 0.016 0.000 1.103 192 R CA 1.289 57.398 56.100 0.014 0.000 0.983 192 R CB -0.608 29.701 30.300 0.016 0.000 0.874 192 R HN 0.390 nan 8.270 nan 0.000 0.451 193 A N 0.764 123.595 122.820 0.019 0.000 1.935 193 A HA -0.034 4.285 4.320 -0.000 0.000 0.214 193 A C 1.982 179.586 177.584 0.033 0.000 1.178 193 A CA 1.151 53.206 52.037 0.030 0.000 0.640 193 A CB 0.027 19.053 19.000 0.044 0.000 0.825 193 A HN 0.183 nan 8.150 nan 0.000 0.447 194 V N -2.195 117.733 119.914 0.023 0.000 3.483 194 V HA 0.428 4.547 4.120 -0.000 0.000 0.301 194 V C 0.270 176.363 176.094 -0.003 0.000 1.389 194 V CA 0.697 63.005 62.300 0.015 0.000 1.101 194 V CB -0.897 30.925 31.823 -0.001 0.000 0.971 194 V HN 0.738 nan 8.190 nan 0.000 0.434 195 S N -0.726 114.975 115.700 0.002 0.000 2.625 195 S HA 0.813 5.283 4.470 -0.000 0.000 0.271 195 S C 0.098 174.708 174.600 0.015 0.000 1.161 195 S CA -0.017 58.188 58.200 0.007 0.000 0.820 195 S CB 1.533 64.737 63.200 0.007 0.000 1.137 195 S HN 1.121 nan 8.310 nan 0.000 0.470 196 A N 0.360 123.191 122.820 0.018 0.000 2.415 196 A HA 0.749 5.069 4.320 -0.000 0.000 0.248 196 A C 0.997 178.596 177.584 0.026 0.000 1.299 196 A CA 0.107 52.156 52.037 0.020 0.000 0.899 196 A CB -1.116 17.894 19.000 0.017 0.000 0.997 196 A HN 1.504 nan 8.150 nan 0.000 0.506 197 A N 0.452 123.292 122.820 0.033 0.000 2.462 197 A HA 0.406 4.726 4.320 -0.000 0.000 0.243 197 A C 0.711 178.321 177.584 0.042 0.000 1.076 197 A CA -0.297 51.767 52.037 0.045 0.000 0.773 197 A CB -0.022 19.019 19.000 0.068 0.000 1.010 197 A HN 0.600 nan 8.150 nan 0.000 0.493 198 R N 1.758 122.283 120.500 0.041 0.000 2.389 198 R HA 0.407 4.747 4.340 -0.000 0.000 0.295 198 R C -1.255 175.076 176.300 0.052 0.000 1.075 198 R CA -0.154 55.970 56.100 0.039 0.000 1.005 198 R CB 0.373 30.692 30.300 0.031 0.000 0.987 198 R HN 0.453 nan 8.270 nan 0.000 0.452 199 V N 7.158 127.103 119.914 0.051 0.000 2.384 199 V HA 0.349 4.469 4.120 -0.000 0.000 0.287 199 V C 0.105 176.233 176.094 0.058 0.000 1.020 199 V CA -0.592 61.747 62.300 0.066 0.000 0.850 199 V CB 1.463 33.323 31.823 0.063 0.000 0.987 199 V HN 0.678 nan 8.190 nan 0.000 0.436 200 I N 4.445 125.054 120.570 0.065 0.000 2.339 200 I HA 0.669 4.839 4.170 -0.000 0.000 0.290 200 I C 0.499 176.655 176.117 0.065 0.000 0.994 200 I CA -0.358 60.973 61.300 0.052 0.000 1.191 200 I CB 1.673 39.696 38.000 0.039 0.000 1.343 200 I HN 0.668 nan 8.210 nan 0.000 0.458 201 A N 6.587 129.441 122.820 0.057 0.000 2.303 201 A HA 0.836 5.156 4.320 -0.000 0.000 0.317 201 A C -0.572 177.043 177.584 0.052 0.000 1.149 201 A CA -0.440 51.636 52.037 0.066 0.000 0.822 201 A CB 1.199 20.232 19.000 0.056 0.000 1.131 201 A HN 0.470 nan 8.150 nan 0.000 0.493 202 V N 2.383 122.333 119.914 0.060 0.000 2.638 202 V HA 0.590 4.709 4.120 -0.000 0.000 0.306 202 V C -0.848 175.273 176.094 0.044 0.000 1.052 202 V CA -0.567 61.758 62.300 0.042 0.000 0.885 202 V CB 1.823 33.666 31.823 0.033 0.000 0.999 202 V HN 1.025 nan 8.190 nan 0.000 0.424 203 D N 2.169 122.586 120.400 0.030 0.000 2.623 203 D HA 0.384 5.024 4.640 -0.000 0.000 0.241 203 D C 0.315 176.625 176.300 0.018 0.000 1.241 203 D CA -0.550 53.467 54.000 0.028 0.000 0.788 203 D CB 2.762 43.578 40.800 0.028 0.000 1.413 203 D HN 0.338 nan 8.370 nan 0.000 0.429 204 L N 0.263 121.497 121.223 0.018 0.000 2.313 204 L HA 0.034 4.374 4.340 -0.000 0.000 0.214 204 L C 0.821 177.699 176.870 0.013 0.000 1.119 204 L CA 0.759 55.607 54.840 0.014 0.000 0.809 204 L CB 0.079 42.148 42.059 0.016 0.000 0.933 204 L HN 0.256 nan 8.230 nan 0.000 0.449 205 D N -0.421 119.987 120.400 0.015 0.000 2.303 205 D HA 0.036 4.676 4.640 -0.000 0.000 0.236 205 D C 0.374 176.678 176.300 0.008 0.000 1.068 205 D CA -0.272 53.735 54.000 0.012 0.000 0.830 205 D CB 1.476 42.284 40.800 0.013 0.000 1.109 205 D HN -0.074 nan 8.370 nan 0.000 0.496 206 D N 2.469 122.874 120.400 0.007 0.000 2.149 206 D HA -0.202 4.438 4.640 -0.000 0.000 0.198 206 D C 1.188 177.489 176.300 0.003 0.000 0.990 206 D CA 1.066 55.069 54.000 0.005 0.000 0.839 206 D CB 0.179 40.982 40.800 0.005 0.000 0.948 206 D HN 0.604 nan 8.370 nan 0.000 0.460 207 D N -0.217 120.184 120.400 0.001 0.000 2.178 207 D HA -0.106 4.533 4.640 -0.000 0.000 0.202 207 D C 1.847 178.140 176.300 -0.012 0.000 0.974 207 D CA 0.725 54.723 54.000 -0.003 0.000 0.841 207 D CB 0.285 41.083 40.800 -0.002 0.000 0.953 207 D HN -0.110 nan 8.370 nan 0.000 0.478 208 R N -0.027 120.467 120.500 -0.011 0.000 2.115 208 R HA 0.047 4.387 4.340 -0.000 0.000 0.226 208 R C 2.390 178.683 176.300 -0.012 0.000 1.100 208 R CA 0.313 56.402 56.100 -0.019 0.000 0.980 208 R CB -0.811 29.484 30.300 -0.008 0.000 0.875 208 R HN 0.366 nan 8.270 nan 0.000 0.445 209 L N 0.285 121.507 121.223 -0.001 0.000 2.046 209 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 209 L C 2.603 179.472 176.870 -0.002 0.000 1.077 209 L CA 1.533 56.375 54.840 0.004 0.000 0.747 209 L CB -0.812 41.252 42.059 0.007 0.000 0.896 209 L HN 0.120 nan 8.230 nan 0.000 0.432 210 A N 0.290 123.108 122.820 -0.005 0.000 1.877 210 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 210 A C 2.245 179.819 177.584 -0.016 0.000 1.186 210 A CA 1.820 53.854 52.037 -0.004 0.000 0.620 210 A CB -0.755 18.244 19.000 -0.001 0.000 0.822 210 A HN 0.340 nan 8.150 nan 0.000 0.443 211 L N -0.087 121.112 121.223 -0.040 0.000 2.042 211 L HA -0.134 4.205 4.340 -0.000 0.000 0.210 211 L C 2.631 179.458 176.870 -0.073 0.000 1.076 211 L CA 2.384 57.168 54.840 -0.093 0.000 0.749 211 L CB -0.805 41.163 42.059 -0.151 0.000 0.893 211 L HN 0.351 nan 8.230 nan 0.000 0.432 212 A N -0.378 122.422 122.820 -0.033 0.000 1.908 212 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 212 A C 2.412 179.996 177.584 0.001 0.000 1.181 212 A CA 1.951 53.983 52.037 -0.007 0.000 0.627 212 A CB -0.559 18.449 19.000 0.013 0.000 0.818 212 A HN 0.556 nan 8.150 nan 0.000 0.445 213 R N -0.385 120.116 120.500 0.002 0.000 2.092 213 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 213 R C 2.066 178.374 176.300 0.015 0.000 1.119 213 R CA 1.449 57.555 56.100 0.011 0.000 0.970 213 R CB -0.339 29.968 30.300 0.012 0.000 0.864 213 R HN 0.686 nan 8.270 nan 0.000 0.440 214 E N 0.462 120.668 120.200 0.011 0.000 2.118 214 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 214 E C 1.616 178.243 176.600 0.045 0.000 0.992 214 E CA 1.633 58.052 56.400 0.032 0.000 0.804 214 E CB 0.031 29.755 29.700 0.040 0.000 0.741 214 E HN 0.294 nan 8.360 nan 0.000 0.458 215 V N -3.273 116.653 119.914 0.019 0.000 3.514 215 V HA 0.492 4.612 4.120 -0.000 0.000 0.301 215 V C 1.009 177.120 176.094 0.029 0.000 1.346 215 V CA 0.378 62.701 62.300 0.039 0.000 1.156 215 V CB 0.081 31.919 31.823 0.026 0.000 1.029 215 V HN 0.287 nan 8.190 nan 0.000 0.428 216 G N -0.507 108.308 108.800 0.026 0.000 2.192 216 G HA2 0.029 3.989 3.960 -0.000 0.000 0.193 216 G HA3 0.029 3.989 3.960 -0.000 0.000 0.193 216 G C 0.390 175.305 174.900 0.024 0.000 0.999 216 G CA -0.044 45.071 45.100 0.025 0.000 0.659 216 G HN 1.568 nan 8.290 nan 0.000 0.503 217 A N 0.567 123.401 122.820 0.024 0.000 2.511 217 A HA 0.483 4.803 4.320 -0.000 0.000 0.242 217 A C 1.226 178.826 177.584 0.027 0.000 1.069 217 A CA 0.938 52.993 52.037 0.029 0.000 0.763 217 A CB 0.239 19.257 19.000 0.030 0.000 1.001 217 A HN 0.260 nan 8.150 nan 0.000 0.498 218 D N 0.880 121.297 120.400 0.029 0.000 2.224 218 D HA 0.189 4.829 4.640 -0.000 0.000 0.205 218 D C 0.727 177.040 176.300 0.022 0.000 0.965 218 D CA 1.809 55.824 54.000 0.025 0.000 0.852 218 D CB 0.210 41.025 40.800 0.026 0.000 0.947 218 D HN 0.712 nan 8.370 nan 0.000 0.494 219 A N -0.179 122.656 122.820 0.025 0.000 2.606 219 A HA 0.691 5.011 4.320 -0.000 0.000 0.293 219 A C -1.647 175.951 177.584 0.024 0.000 1.082 219 A CA -0.365 51.685 52.037 0.022 0.000 0.685 219 A CB 2.015 21.027 19.000 0.019 0.000 1.284 219 A HN 0.033 nan 8.150 nan 0.000 0.408 220 A N 0.346 123.178 122.820 0.020 0.000 2.381 220 A HA 0.765 5.085 4.320 -0.000 0.000 0.299 220 A C -0.553 177.041 177.584 0.016 0.000 1.049 220 A CA -0.009 52.040 52.037 0.021 0.000 0.715 220 A CB 1.121 20.132 19.000 0.018 0.000 1.222 220 A HN 2.335 nan 8.150 nan 0.000 0.428 221 V N -0.224 119.700 119.914 0.017 0.000 2.823 221 V HA 0.817 4.937 4.120 -0.000 0.000 0.312 221 V C -0.301 175.799 176.094 0.011 0.000 1.072 221 V CA -1.198 61.109 62.300 0.012 0.000 0.937 221 V CB 1.612 33.441 31.823 0.009 0.000 1.013 221 V HN 0.889 nan 8.190 nan 0.000 0.430 222 K N 2.908 123.312 120.400 0.007 0.000 2.451 222 K HA 0.302 4.622 4.320 -0.000 0.000 0.280 222 K C 0.342 176.943 176.600 0.003 0.000 1.020 222 K CA 0.982 57.273 56.287 0.005 0.000 1.008 222 K CB 0.627 33.129 32.500 0.003 0.000 0.917 222 K HN 1.079 nan 8.250 nan 0.000 0.478 223 S N 2.400 118.102 115.700 0.003 0.000 2.624 223 S HA 0.685 5.155 4.470 -0.000 0.000 0.263 223 S C 0.169 174.763 174.600 -0.009 0.000 1.287 223 S CA 0.571 58.769 58.200 -0.003 0.000 0.990 223 S CB -0.022 63.178 63.200 -0.001 0.000 0.950 223 S HN 1.061 nan 8.310 nan 0.000 0.561 224 G N 0.715 109.505 108.800 -0.017 0.000 2.447 224 G HA2 0.169 4.128 3.960 -0.000 0.000 0.220 224 G HA3 0.169 4.128 3.960 -0.000 0.000 0.220 224 G C 0.654 175.541 174.900 -0.022 0.000 1.261 224 G CA -0.013 45.075 45.100 -0.020 0.000 1.000 224 G HN 1.386 nan 8.290 nan 0.000 0.515 225 A N -0.752 122.056 122.820 -0.020 0.000 1.940 225 A HA 0.254 4.574 4.320 -0.000 0.000 0.219 225 A C 2.702 180.275 177.584 -0.019 0.000 1.176 225 A CA 2.901 54.926 52.037 -0.021 0.000 0.631 225 A CB -0.935 18.054 19.000 -0.018 0.000 0.814 225 A HN 2.331 nan 8.150 nan 0.000 0.446 226 G N -1.446 107.345 108.800 -0.014 0.000 2.813 226 G HA2 0.244 4.204 3.960 -0.000 0.000 0.209 226 G HA3 0.244 4.204 3.960 -0.000 0.000 0.209 226 G C 1.428 176.320 174.900 -0.013 0.000 1.150 226 G CA 1.004 46.096 45.100 -0.012 0.000 0.785 226 G HN 0.709 nan 8.290 nan 0.000 0.535 227 A N 1.338 124.149 122.820 -0.015 0.000 1.898 227 A HA 0.291 4.611 4.320 -0.000 0.000 0.216 227 A C 2.797 180.371 177.584 -0.017 0.000 1.181 227 A CA 1.999 54.028 52.037 -0.013 0.000 0.620 227 A CB -0.752 18.240 19.000 -0.014 0.000 0.819 227 A HN 0.631 nan 8.150 nan 0.000 0.442 228 A N 0.307 123.113 122.820 -0.023 0.000 1.865 228 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 228 A C 1.791 179.362 177.584 -0.021 0.000 1.191 228 A CA 2.077 54.098 52.037 -0.027 0.000 0.623 228 A CB -0.771 18.209 19.000 -0.033 0.000 0.826 228 A HN 0.455 nan 8.150 nan 0.000 0.444 229 D N -0.154 120.235 120.400 -0.018 0.000 2.149 229 D HA -0.054 4.586 4.640 -0.000 0.000 0.198 229 D C 2.182 178.476 176.300 -0.011 0.000 0.990 229 D CA 1.514 55.505 54.000 -0.015 0.000 0.839 229 D CB -0.400 40.392 40.800 -0.013 0.000 0.948 229 D HN 0.449 nan 8.370 nan 0.000 0.460 230 A N 0.453 123.267 122.820 -0.010 0.000 1.898 230 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 230 A C 2.359 179.941 177.584 -0.005 0.000 1.181 230 A CA 0.671 52.704 52.037 -0.006 0.000 0.620 230 A CB -0.598 18.399 19.000 -0.004 0.000 0.819 230 A HN 0.173 nan 8.150 nan 0.000 0.442 231 I N -0.819 119.747 120.570 -0.007 0.000 2.226 231 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 231 I C 2.751 178.863 176.117 -0.008 0.000 1.100 231 I CA 1.307 62.603 61.300 -0.006 0.000 1.374 231 I CB -0.287 37.706 38.000 -0.011 0.000 1.057 231 I HN 0.268 nan 8.210 nan 0.000 0.413 232 R N 0.283 120.776 120.500 -0.012 0.000 2.115 232 R HA -0.202 4.138 4.340 -0.000 0.000 0.230 232 R C 2.183 178.478 176.300 -0.008 0.000 1.111 232 R CA 1.317 57.409 56.100 -0.013 0.000 0.976 232 R CB -0.240 30.050 30.300 -0.017 0.000 0.870 232 R HN 0.295 nan 8.270 nan 0.000 0.445 233 E N 1.203 121.399 120.200 -0.006 0.000 2.110 233 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 233 E C 1.724 178.323 176.600 -0.001 0.000 0.988 233 E CA 1.136 57.534 56.400 -0.003 0.000 0.804 233 E CB -0.159 29.539 29.700 -0.003 0.000 0.745 233 E HN 0.269 nan 8.360 nan 0.000 0.458 234 L N -0.092 121.131 121.223 0.000 0.000 2.156 234 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 234 L C 2.305 179.177 176.870 0.003 0.000 1.095 234 L CA 1.588 56.430 54.840 0.003 0.000 0.770 234 L CB -0.310 41.753 42.059 0.006 0.000 0.914 234 L HN 0.335 nan 8.230 nan 0.000 0.439 235 T N -3.794 110.760 114.554 0.000 0.000 3.040 235 T HA 0.383 4.733 4.350 -0.000 0.000 0.250 235 T C 0.997 175.696 174.700 -0.002 0.000 1.058 235 T CA 0.244 62.344 62.100 0.000 0.000 0.988 235 T CB 0.336 69.202 68.868 -0.003 0.000 0.993 235 T HN 0.385 nan 8.240 nan 0.000 0.519 236 G N 0.306 109.104 108.800 -0.003 0.000 2.880 236 G HA2 0.061 4.021 3.960 -0.000 0.000 0.617 236 G HA3 0.061 4.021 3.960 -0.000 0.000 0.617 236 G C 0.837 175.732 174.900 -0.008 0.000 1.493 236 G CA -0.445 44.652 45.100 -0.004 0.000 0.916 236 G HN 0.892 nan 8.290 nan 0.000 0.553 237 G N -0.760 108.035 108.800 -0.008 0.000 2.601 237 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.214 237 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.214 237 G C 1.461 176.352 174.900 -0.015 0.000 1.132 237 G CA 1.823 46.916 45.100 -0.013 0.000 0.761 237 G HN 0.783 nan 8.290 nan 0.000 0.550 238 Q N -0.224 119.569 119.800 -0.012 0.000 2.167 238 Q HA 0.308 4.647 4.340 -0.000 0.000 0.202 238 Q C 1.721 177.708 176.000 -0.020 0.000 0.970 238 Q CA 0.749 56.544 55.803 -0.013 0.000 0.855 238 Q CB -0.330 28.404 28.738 -0.006 0.000 0.911 238 Q HN 0.610 nan 8.270 nan 0.000 0.438 239 G N -0.335 108.453 108.800 -0.021 0.000 2.782 239 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.228 239 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.228 239 G C -0.607 174.278 174.900 -0.025 0.000 1.372 239 G CA -0.629 44.454 45.100 -0.028 0.000 0.862 239 G HN 0.628 nan 8.290 nan 0.000 0.547 240 A N -0.555 122.245 122.820 -0.034 0.000 2.320 240 A HA 0.710 5.030 4.320 -0.000 0.000 0.287 240 A C 1.543 179.102 177.584 -0.041 0.000 1.181 240 A CA 1.012 53.030 52.037 -0.032 0.000 0.831 240 A CB 0.515 19.491 19.000 -0.040 0.000 1.102 240 A HN 1.633 nan 8.150 nan 0.000 0.513 241 T N 1.514 116.055 114.554 -0.022 0.000 2.699 241 T HA 0.102 4.451 4.350 -0.000 0.000 0.268 241 T C 0.892 175.562 174.700 -0.049 0.000 1.036 241 T CA 1.952 64.040 62.100 -0.020 0.000 1.147 241 T CB -0.181 68.691 68.868 0.007 0.000 0.862 241 T HN 1.283 nan 8.240 nan 0.000 0.446 242 A N 0.170 122.940 122.820 -0.084 0.000 2.549 242 A HA 0.662 4.982 4.320 -0.000 0.000 0.297 242 A C -1.397 175.984 177.584 -0.338 0.000 1.061 242 A CA -0.696 51.197 52.037 -0.240 0.000 0.690 242 A CB 1.806 20.639 19.000 -0.278 0.000 1.287 242 A HN 0.091 nan 8.150 nan 0.000 0.402 243 V N 1.570 121.174 119.914 -0.517 0.000 2.483 243 V HA 0.495 4.615 4.120 -0.000 0.000 0.297 243 V C -1.396 174.312 176.094 -0.644 0.000 1.027 243 V CA -0.224 61.830 62.300 -0.410 0.000 0.855 243 V CB 1.022 32.686 31.823 -0.264 0.000 0.995 243 V HN 0.677 nan 8.190 nan 0.000 0.424 244 F N 2.680 122.535 119.950 -0.159 0.000 2.332 244 F HA 0.429 4.956 4.527 -0.000 0.000 0.368 244 F C 0.334 175.804 175.800 -0.550 0.000 1.110 244 F CA -0.660 57.112 58.000 -0.380 0.000 1.087 244 F CB 1.070 39.877 39.000 -0.321 0.000 1.235 244 F HN 0.424 nan 8.300 nan 0.000 0.470 245 D N 3.567 123.723 120.400 -0.406 0.000 2.428 245 D HA 0.180 4.820 4.640 -0.000 0.000 0.221 245 D C 0.002 176.113 176.300 -0.315 0.000 1.123 245 D CA -0.288 53.548 54.000 -0.273 0.000 0.869 245 D CB 0.242 40.935 40.800 -0.178 0.000 1.032 245 D HN 0.292 nan 8.370 nan 0.000 0.506 246 F N 2.404 122.390 119.950 0.060 0.000 2.692 246 F HA 0.087 4.614 4.527 -0.000 0.000 0.303 246 F C 1.724 177.534 175.800 0.017 0.000 1.114 246 F CA -0.212 57.815 58.000 0.046 0.000 1.361 246 F CB 0.302 39.332 39.000 0.050 0.000 1.063 246 F HN 0.250 nan 8.300 nan 0.000 0.550 247 V N -0.786 119.197 119.914 0.115 0.000 2.599 247 V HA 0.309 4.429 4.120 -0.000 0.000 0.237 247 V C 2.045 178.198 176.094 0.098 0.000 1.081 247 V CA 0.965 63.317 62.300 0.086 0.000 1.107 247 V CB -0.679 31.166 31.823 0.036 0.000 0.808 247 V HN 0.320 nan 8.190 nan 0.000 0.486 248 G N 0.704 109.509 108.800 0.008 0.000 2.143 248 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.248 248 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.248 248 G C 0.332 175.196 174.900 -0.060 0.000 0.991 248 G CA 0.454 45.551 45.100 -0.004 0.000 0.689 248 G HN 1.054 nan 8.290 nan 0.000 0.522 249 A N -0.853 121.803 122.820 -0.273 0.000 2.346 249 A HA 0.636 4.955 4.320 -0.000 0.000 0.252 249 A C 1.445 178.876 177.584 -0.255 0.000 1.089 249 A CA 1.239 52.949 52.037 -0.546 0.000 0.797 249 A CB 0.363 18.934 19.000 -0.714 0.000 1.047 249 A HN 0.590 nan 8.150 nan 0.000 0.494 250 Q N 0.802 120.473 119.800 -0.215 0.000 2.135 250 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 250 Q C 2.219 178.128 176.000 -0.151 0.000 0.981 250 Q CA 2.819 58.519 55.803 -0.171 0.000 0.856 250 Q CB -0.463 28.185 28.738 -0.150 0.000 0.902 250 Q HN 0.971 nan 8.270 nan 0.000 0.425 251 S N -1.343 114.270 115.700 -0.145 0.000 2.368 251 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 251 S C 2.049 176.586 174.600 -0.104 0.000 1.030 251 S CA 1.615 59.748 58.200 -0.111 0.000 0.999 251 S CB -1.210 61.932 63.200 -0.096 0.000 0.844 251 S HN 0.604 nan 8.310 nan 0.000 0.459 252 T N 0.703 115.187 114.554 -0.118 0.000 2.857 252 T HA 0.161 4.511 4.350 -0.000 0.000 0.266 252 T C 1.857 176.494 174.700 -0.104 0.000 1.048 252 T CA 0.942 62.984 62.100 -0.096 0.000 1.139 252 T CB -0.785 68.031 68.868 -0.087 0.000 0.874 252 T HN 0.430 nan 8.240 nan 0.000 0.455 253 I N 1.748 122.246 120.570 -0.120 0.000 2.315 253 I HA -0.116 4.054 4.170 -0.000 0.000 0.248 253 I C 2.286 178.332 176.117 -0.118 0.000 1.117 253 I CA 1.332 62.557 61.300 -0.125 0.000 1.404 253 I CB -0.384 37.536 38.000 -0.132 0.000 1.071 253 I HN 0.155 nan 8.210 nan 0.000 0.419 254 D N 0.520 120.853 120.400 -0.113 0.000 2.117 254 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 254 D C 2.217 178.467 176.300 -0.083 0.000 0.987 254 D CA 1.536 55.478 54.000 -0.096 0.000 0.829 254 D CB -0.463 40.283 40.800 -0.089 0.000 0.961 254 D HN 0.234 nan 8.370 nan 0.000 0.460 255 T N 0.867 115.373 114.554 -0.079 0.000 2.684 255 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 255 T C 2.026 176.679 174.700 -0.079 0.000 1.036 255 T CA 1.720 63.778 62.100 -0.069 0.000 1.148 255 T CB -0.386 68.446 68.868 -0.059 0.000 0.863 255 T HN 0.213 nan 8.240 nan 0.000 0.436 256 A N 1.457 124.219 122.820 -0.097 0.000 1.883 256 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 256 A C 2.273 179.786 177.584 -0.118 0.000 1.186 256 A CA 1.722 53.688 52.037 -0.118 0.000 0.624 256 A CB -0.712 18.198 19.000 -0.151 0.000 0.822 256 A HN 0.580 nan 8.150 nan 0.000 0.444 257 Q N -0.923 118.810 119.800 -0.112 0.000 2.224 257 Q HA -0.182 4.158 4.340 -0.000 0.000 0.203 257 Q C 2.099 178.045 176.000 -0.089 0.000 0.970 257 Q CA 1.392 57.132 55.803 -0.105 0.000 0.865 257 Q CB -0.141 28.539 28.738 -0.096 0.000 0.922 257 Q HN 0.784 nan 8.270 nan 0.000 0.445 258 Q N -0.177 119.577 119.800 -0.077 0.000 2.378 258 Q HA -0.070 4.270 4.340 -0.000 0.000 0.205 258 Q C 1.954 177.917 176.000 -0.062 0.000 0.954 258 Q CA 1.242 57.007 55.803 -0.064 0.000 0.901 258 Q CB 0.412 29.118 28.738 -0.054 0.000 0.981 258 Q HN 0.355 nan 8.270 nan 0.000 0.483 259 V N -4.435 115.438 119.914 -0.068 0.000 3.635 259 V HA 0.226 4.345 4.120 -0.000 0.000 0.266 259 V C 0.830 176.883 176.094 -0.069 0.000 1.316 259 V CA -0.411 61.853 62.300 -0.061 0.000 1.060 259 V CB 0.385 32.176 31.823 -0.052 0.000 0.820 259 V HN 0.006 nan 8.190 nan 0.000 0.447 260 V N 2.421 122.281 119.914 -0.089 0.000 2.872 260 V HA 0.598 4.717 4.120 -0.000 0.000 0.307 260 V C 0.986 177.033 176.094 -0.078 0.000 1.072 260 V CA 0.449 62.691 62.300 -0.097 0.000 1.148 260 V CB 0.815 32.562 31.823 -0.126 0.000 0.954 260 V HN 0.817 nan 8.190 nan 0.000 0.490 261 A N 5.723 128.505 122.820 -0.064 0.000 2.271 261 A HA 0.611 4.931 4.320 -0.000 0.000 0.288 261 A C -0.028 177.530 177.584 -0.043 0.000 1.094 261 A CA -0.488 51.520 52.037 -0.047 0.000 0.828 261 A CB 0.705 19.687 19.000 -0.030 0.000 1.091 261 A HN 0.981 nan 8.150 nan 0.000 0.493 262 V N 1.945 121.841 119.914 -0.031 0.000 2.617 262 V HA 0.033 4.152 4.120 -0.000 0.000 0.304 262 V C 0.995 177.096 176.094 0.012 0.000 1.040 262 V CA 1.771 64.069 62.300 -0.004 0.000 1.149 262 V CB 0.130 31.967 31.823 0.023 0.000 0.914 262 V HN 1.142 nan 8.190 nan 0.000 0.487 263 D N 2.611 123.025 120.400 0.024 0.000 2.911 263 D HA -0.144 4.496 4.640 -0.000 0.000 0.227 263 D C 0.688 176.992 176.300 0.007 0.000 1.164 263 D CA 1.348 55.359 54.000 0.019 0.000 0.782 263 D CB -0.920 39.894 40.800 0.022 0.000 1.094 263 D HN 0.864 nan 8.370 nan 0.000 0.425 264 G N -1.354 107.443 108.800 -0.004 0.000 2.630 264 G HA2 0.520 4.480 3.960 -0.000 0.000 0.223 264 G HA3 0.520 4.480 3.960 -0.000 0.000 0.223 264 G C -0.645 174.274 174.900 0.031 0.000 1.434 264 G CA -0.040 45.056 45.100 -0.005 0.000 1.057 264 G HN 0.404 nan 8.290 nan 0.000 0.570 265 H N -1.869 117.112 119.070 -0.149 0.000 3.086 265 H HA 0.526 5.082 4.556 -0.000 0.000 0.353 265 H C -1.324 173.839 175.328 -0.274 0.000 1.134 265 H CA -0.671 55.264 56.048 -0.189 0.000 1.248 265 H CB 1.309 30.956 29.762 -0.193 0.000 1.878 265 H HN 0.310 nan 8.280 nan 0.000 0.527 266 I N 3.538 123.624 120.570 -0.807 0.000 2.389 266 I HA 0.278 4.448 4.170 -0.000 0.000 0.288 266 I C -0.327 175.255 176.117 -0.892 0.000 0.999 266 I CA -0.661 60.214 61.300 -0.709 0.000 1.129 266 I CB 1.889 39.651 38.000 -0.397 0.000 1.288 266 I HN 0.468 nan 8.210 nan 0.000 0.444 267 S N 5.950 121.257 115.700 -0.655 0.000 2.461 267 S HA 0.412 4.882 4.470 -0.000 0.000 0.322 267 S C -0.407 174.066 174.600 -0.212 0.000 1.063 267 S CA -0.537 57.487 58.200 -0.294 0.000 1.120 267 S CB 0.655 63.890 63.200 0.060 0.000 0.968 267 S HN 0.341 nan 8.310 nan 0.000 0.467 268 V N 7.378 127.205 119.914 -0.145 0.000 2.338 268 V HA 0.143 4.263 4.120 -0.000 0.000 0.255 268 V C 0.979 177.045 176.094 -0.046 0.000 1.082 268 V CA -0.060 62.176 62.300 -0.106 0.000 0.951 268 V CB 0.447 32.226 31.823 -0.073 0.000 1.102 268 V HN 0.847 nan 8.190 nan 0.000 0.489 269 V N 3.668 123.533 119.914 -0.082 0.000 2.672 269 V HA 0.221 4.340 4.120 -0.000 0.000 0.242 269 V C 1.692 177.818 176.094 0.052 0.000 1.059 269 V CA 1.030 63.336 62.300 0.011 0.000 1.081 269 V CB -0.470 31.341 31.823 -0.020 0.000 0.752 269 V HN 0.807 nan 8.190 nan 0.000 0.472 270 G N 0.450 109.273 108.800 0.040 0.000 2.544 270 G HA2 0.443 4.402 3.960 -0.000 0.000 0.242 270 G HA3 0.443 4.402 3.960 -0.000 0.000 0.242 270 G C -0.597 174.310 174.900 0.012 0.000 1.247 270 G CA -0.146 44.988 45.100 0.058 0.000 0.840 270 G HN 0.314 nan 8.290 nan 0.000 0.578 271 I N 1.139 121.680 120.570 -0.049 0.000 2.382 271 I HA 0.256 4.426 4.170 -0.000 0.000 0.285 271 I C -0.746 175.283 176.117 -0.147 0.000 1.007 271 I CA -0.548 60.640 61.300 -0.187 0.000 1.142 271 I CB 1.535 39.249 38.000 -0.477 0.000 1.289 271 I HN 0.449 nan 8.210 nan 0.000 0.453 272 H N 4.246 123.282 119.070 -0.057 0.000 2.689 272 H HA 0.533 5.089 4.556 -0.000 0.000 0.346 272 H C -0.079 175.333 175.328 0.140 0.000 1.037 272 H CA -0.464 55.637 56.048 0.089 0.000 1.234 272 H CB 1.894 31.685 29.762 0.048 0.000 1.572 272 H HN 0.717 nan 8.280 nan 0.000 0.524 273 A N 2.747 125.782 122.820 0.360 0.000 2.553 273 A HA 0.377 4.697 4.320 -0.000 0.000 0.258 273 A C 1.574 179.281 177.584 0.205 0.000 1.069 273 A CA 1.142 53.357 52.037 0.297 0.000 0.767 273 A CB -1.062 18.085 19.000 0.247 0.000 0.997 273 A HN 1.263 nan 8.150 nan 0.000 0.512 274 G N 1.328 110.232 108.800 0.174 0.000 2.225 274 G HA2 0.102 4.062 3.960 -0.000 0.000 0.254 274 G HA3 0.102 4.062 3.960 -0.000 0.000 0.254 274 G C 0.673 175.705 174.900 0.220 0.000 0.988 274 G CA 0.481 45.683 45.100 0.170 0.000 0.625 274 G HN 2.245 nan 8.290 nan 0.000 0.527 275 A N 1.672 124.585 122.820 0.155 0.000 2.425 275 A HA 0.642 4.962 4.320 -0.000 0.000 0.249 275 A C 0.437 178.082 177.584 0.101 0.000 1.084 275 A CA 0.834 52.904 52.037 0.054 0.000 0.781 275 A CB 0.065 19.076 19.000 0.018 0.000 1.019 275 A HN 1.710 nan 8.150 nan 0.000 0.490 276 H N -0.780 118.283 119.070 -0.011 0.000 3.094 276 H HA 0.641 5.197 4.556 -0.000 0.000 0.346 276 H C -0.580 174.725 175.328 -0.037 0.000 1.238 276 H CA -0.302 55.733 56.048 -0.021 0.000 1.209 276 H CB 0.783 30.538 29.762 -0.011 0.000 1.911 276 H HN 0.880 nan 8.280 nan 0.000 0.540 277 A N 2.164 125.000 122.820 0.027 0.000 2.407 277 A HA 0.346 4.666 4.320 -0.000 0.000 0.248 277 A C -0.091 177.544 177.584 0.085 0.000 1.082 277 A CA -0.512 51.514 52.037 -0.019 0.000 0.785 277 A CB 0.205 19.175 19.000 -0.050 0.000 1.020 277 A HN 0.613 nan 8.150 nan 0.000 0.489 278 K N 1.755 122.173 120.400 0.031 0.000 2.414 278 K HA 0.435 4.755 4.320 -0.000 0.000 0.251 278 K C -1.416 175.188 176.600 0.006 0.000 1.037 278 K CA -0.368 55.961 56.287 0.070 0.000 0.980 278 K CB 1.626 34.163 32.500 0.062 0.000 1.280 278 K HN 0.328 nan 8.250 nan 0.000 0.451 279 V N 2.578 122.489 119.914 -0.005 0.000 2.320 279 V HA 0.566 4.686 4.120 -0.000 0.000 0.265 279 V C 0.403 176.457 176.094 -0.066 0.000 1.048 279 V CA -0.524 61.740 62.300 -0.058 0.000 0.865 279 V CB 0.892 32.674 31.823 -0.068 0.000 1.043 279 V HN 0.930 nan 8.190 nan 0.000 0.474 280 G N 3.118 111.863 108.800 -0.091 0.000 2.646 280 G HA2 0.588 4.548 3.960 -0.000 0.000 0.291 280 G HA3 0.588 4.548 3.960 -0.000 0.000 0.291 280 G C -1.133 173.709 174.900 -0.097 0.000 1.445 280 G CA -0.800 44.266 45.100 -0.058 0.000 0.814 280 G HN 0.264 nan 8.290 nan 0.000 0.495 281 F N 0.390 120.365 119.950 0.041 0.000 2.602 281 F HA 0.337 4.863 4.527 -0.000 0.000 0.367 281 F C 1.336 177.159 175.800 0.039 0.000 1.126 281 F CA 1.175 59.132 58.000 -0.071 0.000 1.321 281 F CB 0.048 38.983 39.000 -0.107 0.000 1.094 281 F HN 0.506 nan 8.300 nan 0.000 0.594 282 F N -0.695 119.341 119.950 0.142 0.000 2.748 282 F HA -0.361 4.166 4.527 -0.000 0.000 0.370 282 F C 1.090 176.885 175.800 -0.009 0.000 0.620 282 F CA 0.818 58.842 58.000 0.040 0.000 1.233 282 F CB -1.838 37.203 39.000 0.068 0.000 1.708 282 F HN 0.480 nan 8.300 nan 0.000 0.298 283 M N -0.806 118.845 119.600 0.085 0.000 2.331 283 M HA 0.439 4.919 4.480 -0.000 0.000 0.266 283 M C 0.203 176.476 176.300 -0.046 0.000 1.055 283 M CA 0.532 55.850 55.300 0.029 0.000 1.048 283 M CB 1.618 34.241 32.600 0.038 0.000 1.460 283 M HN 0.215 nan 8.290 nan 0.000 0.519 284 I N 0.024 120.533 120.570 -0.102 0.000 2.828 284 I HA 0.407 4.577 4.170 -0.000 0.000 0.295 284 I C -2.653 173.343 176.117 -0.201 0.000 1.459 284 I CA -1.918 59.300 61.300 -0.138 0.000 1.015 284 I CB 2.504 40.425 38.000 -0.133 0.000 1.345 284 I HN -0.167 nan 8.210 nan 0.000 0.449 285 P HA 0.177 nan 4.420 nan 0.000 0.269 285 P C -0.947 176.260 177.300 -0.156 0.000 1.215 285 P CA 0.007 62.964 63.100 -0.237 0.000 0.780 285 P CB 0.168 31.777 31.700 -0.151 0.000 0.898 286 F N 1.036 120.918 119.950 -0.114 0.000 2.629 286 F HA 0.202 4.729 4.527 -0.000 0.000 0.377 286 F C 2.021 177.764 175.800 -0.095 0.000 1.101 286 F CA 1.250 59.184 58.000 -0.110 0.000 1.301 286 F CB -1.220 37.751 39.000 -0.050 0.000 1.062 286 F HN 0.675 nan 8.300 nan 0.000 0.583 287 G N 1.567 110.425 108.800 0.097 0.000 2.189 287 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.267 287 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.267 287 G C 0.303 175.205 174.900 0.004 0.000 0.975 287 G CA 0.077 45.197 45.100 0.032 0.000 0.644 287 G HN 1.167 nan 8.290 nan 0.000 0.537 288 A N 0.833 123.640 122.820 -0.022 0.000 2.376 288 A HA 0.667 4.987 4.320 -0.000 0.000 0.298 288 A C 0.909 178.463 177.584 -0.051 0.000 1.271 288 A CA 0.892 52.905 52.037 -0.041 0.000 0.926 288 A CB 0.038 18.992 19.000 -0.076 0.000 1.141 288 A HN 1.845 nan 8.150 nan 0.000 0.539 289 S N 1.830 117.532 115.700 0.003 0.000 2.601 289 S HA 0.668 5.138 4.470 -0.000 0.000 0.271 289 S C -0.158 174.414 174.600 -0.048 0.000 1.305 289 S CA -0.524 57.691 58.200 0.025 0.000 1.022 289 S CB 1.260 64.524 63.200 0.106 0.000 0.940 289 S HN 0.758 nan 8.310 nan 0.000 0.525 290 V N 1.717 121.588 119.914 -0.071 0.000 2.841 290 V HA 0.850 4.970 4.120 -0.000 0.000 0.310 290 V C -0.574 175.485 176.094 -0.059 0.000 1.090 290 V CA -0.709 61.490 62.300 -0.168 0.000 0.930 290 V CB 1.701 33.438 31.823 -0.143 0.000 1.014 290 V HN 0.914 nan 8.190 nan 0.000 0.425 291 V N 2.893 122.768 119.914 -0.066 0.000 3.120 291 V HA 0.690 4.810 4.120 -0.000 0.000 0.303 291 V C -0.388 175.727 176.094 0.034 0.000 1.238 291 V CA -0.102 62.220 62.300 0.037 0.000 1.008 291 V CB 3.036 34.944 31.823 0.142 0.000 1.064 291 V HN 1.074 nan 8.190 nan 0.000 0.434 292 T N 3.861 118.457 114.554 0.070 0.000 2.832 292 T HA 0.641 4.991 4.350 -0.000 0.000 0.313 292 T C -2.248 172.575 174.700 0.204 0.000 1.035 292 T CA -1.354 60.806 62.100 0.100 0.000 0.950 292 T CB 0.904 69.816 68.868 0.072 0.000 0.984 292 T HN 0.629 nan 8.240 nan 0.000 0.486 293 P HA 0.313 nan 4.420 nan 0.000 0.278 293 P C -1.485 176.108 177.300 0.489 0.000 1.258 293 P CA -0.679 62.695 63.100 0.456 0.000 0.811 293 P CB 0.660 32.632 31.700 0.452 0.000 1.063 294 Y N 1.712 122.243 120.300 0.384 0.000 2.326 294 Y HA 0.392 4.942 4.550 -0.000 0.000 0.329 294 Y C 0.383 176.349 175.900 0.109 0.000 0.973 294 Y CA -0.601 57.610 58.100 0.185 0.000 1.162 294 Y CB 0.278 38.835 38.460 0.161 0.000 1.147 294 Y HN 0.541 nan 8.280 nan 0.000 0.456 295 W N 3.278 124.340 121.300 -0.396 0.000 1.922 295 W HA -0.172 4.488 4.660 -0.000 0.000 0.275 295 W C 0.284 176.566 176.519 -0.396 0.000 1.129 295 W CA 2.108 59.136 57.345 -0.528 0.000 1.077 295 W CB -1.337 27.506 29.460 -1.028 0.000 0.883 295 W HN 1.085 nan 8.180 nan 0.000 0.546 296 G N -1.648 107.042 108.800 -0.183 0.000 2.600 296 G HA2 0.553 4.513 3.960 -0.000 0.000 0.293 296 G HA3 0.553 4.513 3.960 -0.000 0.000 0.293 296 G C -0.495 174.303 174.900 -0.171 0.000 1.408 296 G CA 0.437 45.383 45.100 -0.258 0.000 0.782 296 G HN 0.902 nan 8.290 nan 0.000 0.482 297 T N -2.179 112.368 114.554 -0.011 0.000 2.862 297 T HA 0.428 4.778 4.350 -0.000 0.000 0.276 297 T C 1.365 176.093 174.700 0.047 0.000 0.974 297 T CA -0.341 61.793 62.100 0.057 0.000 0.966 297 T CB 1.854 70.758 68.868 0.060 0.000 1.072 297 T HN 0.510 nan 8.240 nan 0.000 0.538 298 R N 0.368 120.702 120.500 -0.277 0.000 2.073 298 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 298 R C 2.954 179.145 176.300 -0.182 0.000 1.134 298 R CA 1.859 57.658 56.100 -0.502 0.000 0.952 298 R CB -0.687 29.285 30.300 -0.547 0.000 0.850 298 R HN 0.870 nan 8.270 nan 0.000 0.433 299 S N 0.770 116.415 115.700 -0.093 0.000 2.402 299 S HA -0.136 4.333 4.470 -0.000 0.000 0.229 299 S C 1.752 176.349 174.600 -0.006 0.000 1.021 299 S CA 1.028 59.206 58.200 -0.036 0.000 0.974 299 S CB -0.168 63.032 63.200 -0.001 0.000 0.800 299 S HN 0.336 nan 8.310 nan 0.000 0.484 300 E N 0.882 121.113 120.200 0.051 0.000 2.077 300 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 300 E C 2.012 178.538 176.600 -0.123 0.000 0.989 300 E CA 1.151 57.590 56.400 0.063 0.000 0.800 300 E CB -0.322 29.551 29.700 0.288 0.000 0.746 300 E HN 0.421 nan 8.360 nan 0.000 0.452 301 L N 0.665 121.873 121.223 -0.026 0.000 2.046 301 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 301 L C 2.082 178.903 176.870 -0.082 0.000 1.077 301 L CA 1.726 56.550 54.840 -0.027 0.000 0.747 301 L CB -0.299 41.818 42.059 0.096 0.000 0.896 301 L HN 0.157 nan 8.230 nan 0.000 0.432 302 M N -0.961 118.595 119.600 -0.073 0.000 2.159 302 M HA -0.225 4.254 4.480 -0.000 0.000 0.263 302 M C 2.085 178.320 176.300 -0.107 0.000 1.063 302 M CA 1.896 57.155 55.300 -0.067 0.000 1.110 302 M CB -0.439 32.131 32.600 -0.049 0.000 1.374 302 M HN 0.292 nan 8.290 nan 0.000 0.411 303 E N -0.254 119.844 120.200 -0.170 0.000 2.106 303 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 303 E C 2.061 178.450 176.600 -0.352 0.000 0.984 303 E CA 1.231 57.492 56.400 -0.232 0.000 0.806 303 E CB -0.109 29.455 29.700 -0.227 0.000 0.750 303 E HN 0.280 nan 8.360 nan 0.000 0.458 304 V N 0.897 120.517 119.914 -0.489 0.000 2.287 304 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 304 V C 2.321 178.322 176.094 -0.154 0.000 1.053 304 V CA 1.434 63.524 62.300 -0.351 0.000 1.027 304 V CB -0.410 31.248 31.823 -0.275 0.000 0.646 304 V HN 0.150 nan 8.190 nan 0.000 0.447 305 V N 0.291 120.139 119.914 -0.110 0.000 2.343 305 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 305 V C 2.702 178.768 176.094 -0.047 0.000 1.051 305 V CA 1.997 64.264 62.300 -0.055 0.000 1.036 305 V CB -1.160 30.645 31.823 -0.031 0.000 0.654 305 V HN 0.572 nan 8.190 nan 0.000 0.451 306 A N -0.480 122.305 122.820 -0.058 0.000 1.933 306 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 306 A C 2.248 179.816 177.584 -0.027 0.000 1.175 306 A CA 1.749 53.764 52.037 -0.037 0.000 0.628 306 A CB -0.504 18.475 19.000 -0.034 0.000 0.814 306 A HN 0.494 nan 8.150 nan 0.000 0.444 307 L N -0.930 120.269 121.223 -0.040 0.000 2.017 307 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 307 L C 3.146 180.010 176.870 -0.011 0.000 1.073 307 L CA 1.249 56.081 54.840 -0.014 0.000 0.745 307 L CB -0.540 41.513 42.059 -0.011 0.000 0.894 307 L HN 0.470 nan 8.230 nan 0.000 0.432 308 A N -0.205 122.603 122.820 -0.021 0.000 1.902 308 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 308 A C 2.316 179.896 177.584 -0.007 0.000 1.181 308 A CA 1.399 53.428 52.037 -0.012 0.000 0.623 308 A CB -0.478 18.513 19.000 -0.015 0.000 0.818 308 A HN 0.331 nan 8.150 nan 0.000 0.443 309 R N -0.678 119.817 120.500 -0.009 0.000 2.148 309 R HA -0.007 4.333 4.340 -0.000 0.000 0.227 309 R C 1.873 178.172 176.300 -0.002 0.000 1.103 309 R CA 0.954 57.051 56.100 -0.005 0.000 0.983 309 R CB -0.308 29.989 30.300 -0.006 0.000 0.874 309 R HN 0.481 nan 8.270 nan 0.000 0.451 310 A N 0.231 123.051 122.820 -0.001 0.000 2.278 310 A HA 0.238 4.558 4.320 -0.000 0.000 0.212 310 A C 1.222 178.809 177.584 0.005 0.000 1.213 310 A CA 0.571 52.610 52.037 0.003 0.000 0.840 310 A CB -0.066 18.938 19.000 0.006 0.000 0.866 310 A HN 0.403 nan 8.150 nan 0.000 0.489 311 G N -0.296 108.507 108.800 0.004 0.000 2.198 311 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 311 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 311 G C 0.828 175.735 174.900 0.011 0.000 1.025 311 G CA 0.500 45.604 45.100 0.006 0.000 0.769 311 G HN 0.427 nan 8.290 nan 0.000 0.507 312 R N -0.879 119.627 120.500 0.011 0.000 2.297 312 R HA 0.292 4.632 4.340 -0.000 0.000 0.197 312 R C 0.995 177.304 176.300 0.016 0.000 0.943 312 R CA 0.347 56.456 56.100 0.016 0.000 1.038 312 R CB 0.085 30.397 30.300 0.021 0.000 0.957 312 R HN 0.515 nan 8.270 nan 0.000 0.484 313 L N 1.274 122.504 121.223 0.012 0.000 2.349 313 L HA 0.312 4.652 4.340 -0.000 0.000 0.278 313 L C -0.691 176.196 176.870 0.028 0.000 0.996 313 L CA -0.899 53.947 54.840 0.009 0.000 0.825 313 L CB 2.254 44.308 42.059 -0.009 0.000 1.243 313 L HN -0.223 nan 8.230 nan 0.000 0.412 314 D N 4.591 125.028 120.400 0.062 0.000 2.473 314 D HA 0.283 4.923 4.640 -0.000 0.000 0.226 314 D C -0.402 176.027 176.300 0.215 0.000 1.089 314 D CA -0.359 53.703 54.000 0.102 0.000 0.883 314 D CB 0.701 41.579 40.800 0.130 0.000 1.029 314 D HN 0.143 nan 8.370 nan 0.000 0.517 315 I N 4.098 124.760 120.570 0.154 0.000 2.337 315 I HA 0.105 4.275 4.170 -0.000 0.000 0.291 315 I C 0.689 176.986 176.117 0.301 0.000 1.046 315 I CA -0.353 61.106 61.300 0.264 0.000 1.324 315 I CB 0.403 38.478 38.000 0.125 0.000 1.409 315 I HN 0.319 nan 8.210 nan 0.000 0.494 316 H N 5.338 124.577 119.070 0.282 0.000 2.668 316 H HA 0.293 4.849 4.556 -0.000 0.000 0.303 316 H C 0.320 175.635 175.328 -0.021 0.000 1.074 316 H CA -0.171 55.886 56.048 0.016 0.000 1.406 316 H CB 1.096 30.762 29.762 -0.160 0.000 1.442 316 H HN 0.603 nan 8.280 nan 0.000 0.482 317 T N 0.607 115.186 114.554 0.042 0.000 2.907 317 T HA 0.441 4.790 4.350 -0.000 0.000 0.290 317 T C -0.373 174.314 174.700 -0.021 0.000 1.066 317 T CA -1.167 60.947 62.100 0.023 0.000 1.012 317 T CB 3.119 71.995 68.868 0.014 0.000 1.184 317 T HN 0.645 nan 8.240 nan 0.000 0.522 318 E N 0.168 120.357 120.200 -0.019 0.000 2.275 318 E HA 0.467 4.817 4.350 -0.000 0.000 0.270 318 E C -1.254 175.212 176.600 -0.224 0.000 0.882 318 E CA -0.695 55.619 56.400 -0.144 0.000 0.758 318 E CB 1.999 31.610 29.700 -0.149 0.000 1.195 318 E HN 0.706 nan 8.360 nan 0.000 0.419 319 T N 3.814 118.153 114.554 -0.359 0.000 2.837 319 T HA 0.488 4.838 4.350 -0.000 0.000 0.285 319 T C -0.876 173.500 174.700 -0.539 0.000 0.984 319 T CA -0.117 61.819 62.100 -0.272 0.000 1.049 319 T CB 0.175 68.945 68.868 -0.164 0.000 0.947 319 T HN 0.252 nan 8.240 nan 0.000 0.472 320 F N 0.739 120.656 119.950 -0.056 0.000 2.603 320 F HA 0.512 5.039 4.527 -0.000 0.000 0.317 320 F C 1.062 176.835 175.800 -0.044 0.000 1.066 320 F CA -1.166 56.802 58.000 -0.053 0.000 0.941 320 F CB 1.590 40.546 39.000 -0.072 0.000 1.291 320 F HN 0.540 nan 8.300 nan 0.000 0.472 321 T N -1.138 113.508 114.554 0.154 0.000 2.816 321 T HA 0.343 4.693 4.350 -0.000 0.000 0.282 321 T C 1.136 175.886 174.700 0.083 0.000 0.993 321 T CA -0.652 61.498 62.100 0.084 0.000 0.994 321 T CB 0.765 69.666 68.868 0.055 0.000 1.025 321 T HN 0.603 nan 8.240 nan 0.000 0.529 322 L N 0.172 121.425 121.223 0.050 0.000 2.042 322 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 322 L C 2.534 179.430 176.870 0.043 0.000 1.076 322 L CA 1.581 56.446 54.840 0.041 0.000 0.749 322 L CB -0.555 41.524 42.059 0.034 0.000 0.893 322 L HN 0.712 nan 8.230 nan 0.000 0.432 323 D N -0.083 120.344 120.400 0.045 0.000 2.182 323 D HA -0.187 4.453 4.640 -0.000 0.000 0.201 323 D C 1.854 178.181 176.300 0.046 0.000 0.986 323 D CA 1.150 55.175 54.000 0.042 0.000 0.847 323 D CB -0.009 40.814 40.800 0.038 0.000 0.942 323 D HN 0.450 nan 8.370 nan 0.000 0.467 324 E N -0.109 120.130 120.200 0.066 0.000 2.489 324 E HA 0.084 4.434 4.350 -0.000 0.000 0.193 324 E C 1.957 178.542 176.600 -0.025 0.000 1.057 324 E CA 0.046 56.492 56.400 0.076 0.000 0.866 324 E CB 0.179 30.009 29.700 0.215 0.000 0.916 324 E HN 0.188 nan 8.360 nan 0.000 0.500 325 G N 2.913 111.698 108.800 -0.024 0.000 2.719 325 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 325 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 325 G C -0.836 174.034 174.900 -0.049 0.000 1.234 325 G CA 0.878 45.937 45.100 -0.069 0.000 0.788 325 G HN 0.252 nan 8.290 nan 0.000 0.619 326 P HA -0.037 nan 4.420 nan 0.000 0.216 326 P C 2.189 179.493 177.300 0.007 0.000 1.150 326 P CA 2.069 65.215 63.100 0.077 0.000 0.837 326 P CB -0.224 31.505 31.700 0.049 0.000 0.786 327 A N -0.029 122.767 122.820 -0.039 0.000 1.933 327 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 327 A C 2.314 179.793 177.584 -0.176 0.000 1.175 327 A CA 2.095 54.099 52.037 -0.055 0.000 0.628 327 A CB -1.586 17.414 19.000 -0.000 0.000 0.814 327 A HN 0.199 nan 8.150 nan 0.000 0.444 328 A N -1.463 121.100 122.820 -0.427 0.000 1.902 328 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 328 A C 2.074 179.332 177.584 -0.543 0.000 1.181 328 A CA 1.469 52.986 52.037 -0.866 0.000 0.623 328 A CB -0.828 17.220 19.000 -1.587 0.000 0.818 328 A HN 0.616 nan 8.150 nan 0.000 0.443 329 Y N -0.424 119.700 120.300 -0.292 0.000 2.274 329 Y HA -0.187 4.363 4.550 -0.000 0.000 0.290 329 Y C 2.747 178.546 175.900 -0.167 0.000 1.145 329 Y CA 1.624 59.597 58.100 -0.211 0.000 1.203 329 Y CB -0.123 38.233 38.460 -0.173 0.000 0.984 329 Y HN 0.219 nan 8.280 nan 0.000 0.533 330 R N -0.214 120.286 120.500 -0.000 0.000 2.075 330 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 330 R C 2.320 178.603 176.300 -0.029 0.000 1.126 330 R CA 1.019 57.111 56.100 -0.014 0.000 0.963 330 R CB -0.120 30.174 30.300 -0.010 0.000 0.858 330 R HN 0.247 nan 8.270 nan 0.000 0.435 331 R N 0.549 121.013 120.500 -0.060 0.000 2.081 331 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 331 R C 2.263 178.544 176.300 -0.031 0.000 1.131 331 R CA 0.958 57.039 56.100 -0.032 0.000 0.960 331 R CB -0.768 29.520 30.300 -0.020 0.000 0.856 331 R HN 0.167 nan 8.270 nan 0.000 0.436 332 L N 1.502 122.678 121.223 -0.078 0.000 2.017 332 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 332 L C 2.421 179.275 176.870 -0.027 0.000 1.073 332 L CA 1.707 56.515 54.840 -0.055 0.000 0.745 332 L CB -0.389 41.607 42.059 -0.104 0.000 0.894 332 L HN 0.014 nan 8.230 nan 0.000 0.432 333 R N -0.234 120.238 120.500 -0.045 0.000 2.091 333 R HA -0.207 4.132 4.340 -0.000 0.000 0.238 333 R C 2.009 178.327 176.300 0.029 0.000 1.136 333 R CA 1.829 57.911 56.100 -0.030 0.000 0.959 333 R CB -0.412 29.868 30.300 -0.034 0.000 0.856 333 R HN 0.699 nan 8.270 nan 0.000 0.437 334 E N -0.409 119.805 120.200 0.023 0.000 2.435 334 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 334 E C 0.645 177.273 176.600 0.047 0.000 1.029 334 E CA 0.602 57.022 56.400 0.034 0.000 0.865 334 E CB 0.333 30.047 29.700 0.023 0.000 0.833 334 E HN 0.327 nan 8.360 nan 0.000 0.510 335 G N 1.528 110.362 108.800 0.056 0.000 2.204 335 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 335 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 335 G C 0.556 175.481 174.900 0.043 0.000 1.062 335 G CA 0.477 45.615 45.100 0.063 0.000 0.798 335 G HN 0.522 nan 8.290 nan 0.000 0.496 336 S N -1.148 114.575 115.700 0.038 0.000 2.593 336 S HA 0.527 4.997 4.470 -0.000 0.000 0.236 336 S C 0.614 175.242 174.600 0.046 0.000 0.991 336 S CA -0.332 57.890 58.200 0.037 0.000 0.963 336 S CB 0.321 63.544 63.200 0.038 0.000 0.865 336 S HN 0.527 nan 8.310 nan 0.000 0.488 337 I N 2.407 123.004 120.570 0.045 0.000 2.307 337 I HA 0.360 4.530 4.170 -0.000 0.000 0.289 337 I C 0.613 176.737 176.117 0.011 0.000 1.021 337 I CA -0.578 60.755 61.300 0.055 0.000 1.224 337 I CB 1.027 39.069 38.000 0.070 0.000 1.376 337 I HN 0.066 nan 8.210 nan 0.000 0.470 338 R N 5.894 126.392 120.500 -0.003 0.000 3.247 338 R HA 0.374 4.714 4.340 -0.000 0.000 0.212 338 R C 0.545 176.775 176.300 -0.117 0.000 1.604 338 R CA 0.572 56.642 56.100 -0.049 0.000 1.279 338 R CB -0.307 29.979 30.300 -0.023 0.000 1.277 338 R HN 1.038 nan 8.270 nan 0.000 0.669 339 G N 1.616 110.307 108.800 -0.181 0.000 2.390 339 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.202 339 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.202 339 G C -1.238 173.612 174.900 -0.083 0.000 1.210 339 G CA -0.818 44.080 45.100 -0.336 0.000 1.271 339 G HN 0.354 nan 8.290 nan 0.000 0.543 340 R N 1.301 121.805 120.500 0.006 0.000 2.445 340 R HA 0.597 4.937 4.340 -0.000 0.000 0.308 340 R C 0.498 176.835 176.300 0.062 0.000 0.961 340 R CA 0.141 56.272 56.100 0.051 0.000 0.862 340 R CB 1.015 31.369 30.300 0.089 0.000 1.144 340 R HN 1.003 nan 8.270 nan 0.000 0.447 341 G N 1.428 110.259 108.800 0.052 0.000 2.390 341 G HA2 0.414 4.374 3.960 -0.000 0.000 0.270 341 G HA3 0.414 4.374 3.960 -0.000 0.000 0.270 341 G C -0.749 174.192 174.900 0.069 0.000 1.211 341 G CA -0.203 44.981 45.100 0.139 0.000 0.842 341 G HN 0.301 nan 8.290 nan 0.000 0.519 342 V N 2.882 122.899 119.914 0.172 0.000 2.623 342 V HA 0.273 4.393 4.120 -0.000 0.000 0.304 342 V C -0.097 176.077 176.094 0.134 0.000 1.054 342 V CA -0.765 61.584 62.300 0.082 0.000 0.882 342 V CB 1.830 33.679 31.823 0.044 0.000 1.002 342 V HN 0.570 nan 8.190 nan 0.000 0.424 343 V N 5.405 125.354 119.914 0.059 0.000 2.465 343 V HA 0.387 4.507 4.120 -0.000 0.000 0.279 343 V C -0.048 176.065 176.094 0.031 0.000 1.045 343 V CA -0.336 62.003 62.300 0.066 0.000 0.938 343 V CB 1.860 33.692 31.823 0.015 0.000 0.986 343 V HN 0.623 nan 8.190 nan 0.000 0.467 344 V N 8.077 128.009 119.914 0.031 0.000 2.313 344 V HA 0.333 4.453 4.120 -0.000 0.000 0.278 344 V C -1.935 174.157 176.094 -0.003 0.000 1.017 344 V CA -1.509 60.791 62.300 0.001 0.000 0.823 344 V CB 1.295 33.113 31.823 -0.009 0.000 1.010 344 V HN 0.787 nan 8.190 nan 0.000 0.443 345 P HA 0.000 nan 4.420 nan 0.000 0.216 345 P CA 0.000 63.085 63.100 -0.026 0.000 0.800 345 P CB 0.000 31.664 31.700 -0.060 0.000 0.726