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 2jfs_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASVLSAATAT DQGPVRENNQ DACLADGILY AVADGFGARG HHASATALKT DATA SEQUENCE LSAGFAAAPD RDGLLEAVQQ ANLRVFELLG DEPTVSGTTL TAVAVFEPGQ DATA SEQUENCE GGPLVVNIGD SPLYRIRDGH MEQLTDDHSV AGELVRMGEI TRHEARWHPQ DATA SEQUENCE RHLLTRALGI GPHIGPDVFG IDCGPGDRLL ISSDGLFAAA DEALIVDAAT DATA SEQUENCE SPDPQVAVRR LVEVANDAGG SDNTTVVVID LG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.602 177.584 0.030 0.000 1.274 2 A CA 0.000 52.051 52.037 0.024 0.000 0.836 2 A CB 0.000 19.012 19.000 0.019 0.000 0.831 3 S N 0.633 116.347 115.700 0.024 0.000 2.677 3 S HA 0.839 5.310 4.470 0.001 0.000 0.304 3 S C -0.343 174.267 174.600 0.016 0.000 1.108 3 S CA -0.765 57.453 58.200 0.030 0.000 0.944 3 S CB 1.553 64.775 63.200 0.036 0.000 1.127 3 S HN 1.393 nan 8.310 nan 0.000 0.511 4 V N 2.665 122.595 119.914 0.027 0.000 2.455 4 V HA 0.196 4.317 4.120 0.001 0.000 0.273 4 V C 0.941 177.044 176.094 0.015 0.000 1.045 4 V CA -0.319 61.988 62.300 0.012 0.000 0.976 4 V CB 0.680 32.536 31.823 0.055 0.000 0.993 4 V HN 0.872 nan 8.190 nan 0.000 0.475 5 L N 4.901 126.121 121.223 -0.004 0.000 2.145 5 L HA 0.285 4.626 4.340 0.001 0.000 0.201 5 L C 0.861 177.733 176.870 0.003 0.000 1.075 5 L CA 1.433 56.273 54.840 0.001 0.000 0.773 5 L CB 0.358 42.413 42.059 -0.007 0.000 0.936 5 L HN 0.769 nan 8.230 nan 0.000 0.451 6 S N -1.615 114.078 115.700 -0.012 0.000 2.565 6 S HA 0.853 5.324 4.470 0.001 0.000 0.269 6 S C -1.075 173.507 174.600 -0.030 0.000 1.153 6 S CA -0.352 57.845 58.200 -0.006 0.000 0.835 6 S CB 1.633 64.828 63.200 -0.008 0.000 1.122 6 S HN 0.381 nan 8.310 nan 0.000 0.462 7 A N 0.406 123.225 122.820 -0.002 0.000 2.606 7 A HA 1.025 5.346 4.320 0.001 0.000 0.293 7 A C -1.205 176.392 177.584 0.023 0.000 1.082 7 A CA -0.408 51.615 52.037 -0.023 0.000 0.685 7 A CB 1.395 20.391 19.000 -0.007 0.000 1.284 7 A HN 1.838 nan 8.150 nan 0.000 0.408 8 A N -0.085 122.744 122.820 0.014 0.000 2.606 8 A HA 0.981 5.302 4.320 0.001 0.000 0.293 8 A C -0.381 177.225 177.584 0.037 0.000 1.082 8 A CA 0.105 52.160 52.037 0.029 0.000 0.685 8 A CB 1.352 20.357 19.000 0.009 0.000 1.284 8 A HN 2.373 nan 8.150 nan 0.000 0.408 9 T N -1.716 112.863 114.554 0.041 0.000 2.903 9 T HA 0.922 5.273 4.350 0.001 0.000 0.299 9 T C -0.558 174.158 174.700 0.027 0.000 1.093 9 T CA -0.057 62.068 62.100 0.041 0.000 1.002 9 T CB 1.702 70.604 68.868 0.057 0.000 1.127 9 T HN 2.383 nan 8.240 nan 0.000 0.488 10 A N 1.066 123.900 122.820 0.023 0.000 2.549 10 A HA 0.851 5.172 4.320 0.001 0.000 0.297 10 A C -0.413 177.183 177.584 0.020 0.000 1.061 10 A CA -0.811 51.236 52.037 0.016 0.000 0.690 10 A CB 1.953 20.956 19.000 0.005 0.000 1.287 10 A HN 1.136 nan 8.150 nan 0.000 0.402 11 T N 0.124 114.689 114.554 0.018 0.000 2.912 11 T HA 0.638 4.989 4.350 0.001 0.000 0.299 11 T C -1.959 172.750 174.700 0.014 0.000 1.052 11 T CA -0.231 61.882 62.100 0.022 0.000 0.996 11 T CB 1.391 70.276 68.868 0.028 0.000 1.070 11 T HN 0.777 nan 8.240 nan 0.000 0.465 12 D N 1.837 122.245 120.400 0.014 0.000 2.990 12 D HA 0.298 4.939 4.640 0.001 0.000 0.227 12 D C 0.680 176.986 176.300 0.009 0.000 1.249 12 D CA -0.442 53.563 54.000 0.008 0.000 0.891 12 D CB 2.061 42.861 40.800 0.001 0.000 1.647 12 D HN 0.508 nan 8.370 nan 0.000 0.530 13 Q N 2.719 122.522 119.800 0.005 0.000 2.167 13 Q HA 0.130 4.471 4.340 0.001 0.000 0.202 13 Q C 0.721 176.722 176.000 0.002 0.000 0.970 13 Q CA 1.258 57.062 55.803 0.002 0.000 0.855 13 Q CB -0.078 28.656 28.738 -0.007 0.000 0.911 13 Q HN 0.758 nan 8.270 nan 0.000 0.438 14 G N -0.059 108.741 108.800 0.001 0.000 2.814 14 G HA2 -0.177 3.784 3.960 0.001 0.000 0.677 14 G HA3 -0.177 3.784 3.960 0.001 0.000 0.677 14 G C -2.098 172.800 174.900 -0.003 0.000 1.429 14 G CA -0.263 44.837 45.100 0.000 0.000 0.868 14 G HN 0.246 nan 8.290 nan 0.000 0.553 15 P HA 0.106 nan 4.420 nan 0.000 0.236 15 P C 1.541 178.837 177.300 -0.006 0.000 1.177 15 P CA 1.241 64.338 63.100 -0.005 0.000 0.773 15 P CB 0.312 32.009 31.700 -0.004 0.000 0.878 16 V N -0.408 119.503 119.914 -0.005 0.000 2.627 16 V HA 0.101 4.222 4.120 0.001 0.000 0.239 16 V C 1.367 177.456 176.094 -0.009 0.000 1.077 16 V CA 0.558 62.854 62.300 -0.006 0.000 1.103 16 V CB -0.489 31.331 31.823 -0.005 0.000 0.802 16 V HN -0.010 nan 8.190 nan 0.000 0.482 17 R N 1.165 121.660 120.500 -0.008 0.000 2.643 17 R HA 0.100 4.441 4.340 0.001 0.000 0.270 17 R C 1.060 177.348 176.300 -0.021 0.000 1.061 17 R CA 0.010 56.103 56.100 -0.011 0.000 1.107 17 R CB 0.537 30.834 30.300 -0.005 0.000 0.999 17 R HN 0.305 nan 8.270 nan 0.000 0.460 18 E N 1.050 121.234 120.200 -0.028 0.000 2.274 18 E HA -0.090 4.261 4.350 0.001 0.000 0.194 18 E C -0.036 176.526 176.600 -0.063 0.000 0.996 18 E CA 0.932 57.309 56.400 -0.040 0.000 0.840 18 E CB 0.075 29.752 29.700 -0.039 0.000 0.772 18 E HN 0.620 nan 8.360 nan 0.000 0.491 19 N N -1.063 117.592 118.700 -0.075 0.000 3.039 19 N HA 0.150 4.890 4.740 0.001 0.000 0.257 19 N C -1.432 174.036 175.510 -0.069 0.000 1.497 19 N CA -0.922 52.063 53.050 -0.107 0.000 0.861 19 N CB 0.336 38.686 38.487 -0.229 0.000 1.479 19 N HN -0.223 nan 8.380 nan 0.000 0.547 20 N N -0.105 118.556 118.700 -0.065 0.000 2.469 20 N HA 0.266 5.007 4.740 0.001 0.000 0.253 20 N C -0.824 174.691 175.510 0.009 0.000 0.970 20 N CA -0.132 52.910 53.050 -0.015 0.000 0.940 20 N CB 0.873 39.360 38.487 0.000 0.000 1.128 20 N HN 0.568 nan 8.380 nan 0.000 0.503 21 Q N 0.754 120.578 119.800 0.040 0.000 2.247 21 Q HA 0.158 4.498 4.340 0.001 0.000 0.204 21 Q C -0.689 175.364 176.000 0.088 0.000 0.872 21 Q CA -0.199 55.657 55.803 0.089 0.000 0.951 21 Q CB 0.651 29.451 28.738 0.103 0.000 1.099 21 Q HN 0.553 nan 8.270 nan 0.000 0.501 22 D N 0.874 121.319 120.400 0.075 0.000 2.329 22 D HA 0.478 5.119 4.640 0.001 0.000 0.246 22 D C -0.532 175.807 176.300 0.064 0.000 1.111 22 D CA 0.091 54.135 54.000 0.073 0.000 0.941 22 D CB 1.282 42.123 40.800 0.068 0.000 1.169 22 D HN 0.149 nan 8.370 nan 0.000 0.441 23 A N 0.091 122.947 122.820 0.059 0.000 2.556 23 A HA 0.724 5.045 4.320 0.001 0.000 0.294 23 A C -0.708 176.902 177.584 0.043 0.000 1.091 23 A CA -0.687 51.379 52.037 0.048 0.000 0.704 23 A CB 1.046 20.072 19.000 0.044 0.000 1.300 23 A HN 0.775 nan 8.150 nan 0.000 0.406 24 C N -0.064 119.258 119.300 0.036 0.000 3.236 24 C HA 0.940 5.401 4.460 0.001 0.000 0.312 24 C C -1.369 173.631 174.990 0.017 0.000 1.374 24 C CA -0.853 58.185 59.018 0.034 0.000 1.455 24 C CB 0.737 28.505 27.740 0.047 0.000 1.834 24 C HN 1.525 nan 8.230 nan 0.000 0.460 25 L N 1.440 122.668 121.223 0.008 0.000 2.455 25 L HA 0.823 5.164 4.340 0.001 0.000 0.264 25 L C -0.510 176.327 176.870 -0.055 0.000 0.968 25 L CA -0.254 54.564 54.840 -0.036 0.000 0.827 25 L CB 1.886 43.906 42.059 -0.066 0.000 1.317 25 L HN 1.505 nan 8.230 nan 0.000 0.407 26 A N 3.497 126.253 122.820 -0.107 0.000 2.768 26 A HA 0.662 4.983 4.320 0.001 0.000 0.298 26 A C -1.911 175.501 177.584 -0.287 0.000 1.159 26 A CA -0.356 51.557 52.037 -0.207 0.000 0.783 26 A CB 0.282 19.360 19.000 0.130 0.000 1.333 26 A HN 0.647 nan 8.150 nan 0.000 0.412 27 D N 1.258 121.366 120.400 -0.488 0.000 2.479 27 D HA 0.538 5.179 4.640 0.001 0.000 0.246 27 D C 0.740 176.858 176.300 -0.304 0.000 1.336 27 D CA 0.331 54.163 54.000 -0.280 0.000 0.967 27 D CB 0.720 41.429 40.800 -0.151 0.000 1.275 27 D HN 1.475 nan 8.370 nan 0.000 0.577 28 G N 3.228 111.918 108.800 -0.184 0.000 2.595 28 G HA2 -0.353 3.608 3.960 0.001 0.000 0.297 28 G HA3 -0.353 3.608 3.960 0.001 0.000 0.297 28 G C 0.834 175.679 174.900 -0.093 0.000 1.181 28 G CA 0.852 45.905 45.100 -0.077 0.000 0.963 28 G HN 1.113 nan 8.290 nan 0.000 0.541 29 I N -1.036 119.489 120.570 -0.075 0.000 4.018 29 I HA 0.722 4.893 4.170 0.001 0.000 0.337 29 I C 0.569 176.541 176.117 -0.241 0.000 1.327 29 I CA -0.208 61.073 61.300 -0.032 0.000 1.100 29 I CB 0.581 38.587 38.000 0.010 0.000 1.025 29 I HN 0.347 nan 8.210 nan 0.000 0.396 30 L N 1.777 122.675 121.223 -0.541 0.000 2.296 30 L HA 0.574 4.915 4.340 0.001 0.000 0.286 30 L C -1.547 174.835 176.870 -0.812 0.000 1.023 30 L CA -0.343 54.100 54.840 -0.662 0.000 0.812 30 L CB 0.840 42.435 42.059 -0.773 0.000 1.223 30 L HN 0.059 nan 8.230 nan 0.000 0.421 31 Y N 3.929 124.090 120.300 -0.231 0.000 2.442 31 Y HA 0.849 5.400 4.550 0.001 0.000 0.344 31 Y C -0.008 175.812 175.900 -0.133 0.000 0.976 31 Y CA -0.510 57.505 58.100 -0.142 0.000 1.040 31 Y CB 2.238 40.631 38.460 -0.111 0.000 1.228 31 Y HN 0.788 nan 8.280 nan 0.000 0.451 32 A N 1.470 124.312 122.820 0.037 0.000 2.604 32 A HA 0.849 5.170 4.320 0.001 0.000 0.295 32 A C -2.109 175.494 177.584 0.031 0.000 1.067 32 A CA -0.706 51.335 52.037 0.007 0.000 0.683 32 A CB 1.275 20.249 19.000 -0.043 0.000 1.281 32 A HN 0.450 nan 8.150 nan 0.000 0.407 33 V N 0.270 120.205 119.914 0.035 0.000 2.735 33 V HA 0.846 4.966 4.120 0.001 0.000 0.310 33 V C 0.116 176.238 176.094 0.047 0.000 1.061 33 V CA -0.019 62.310 62.300 0.049 0.000 0.913 33 V CB 1.824 33.687 31.823 0.067 0.000 1.005 33 V HN 1.730 nan 8.190 nan 0.000 0.428 34 A N 2.307 125.159 122.820 0.053 0.000 2.353 34 A HA 0.698 5.019 4.320 0.001 0.000 0.299 34 A C -1.172 176.460 177.584 0.079 0.000 1.089 34 A CA -0.447 51.627 52.037 0.061 0.000 0.736 34 A CB 1.278 20.303 19.000 0.042 0.000 1.195 34 A HN 0.732 nan 8.150 nan 0.000 0.447 35 D N 2.835 123.300 120.400 0.108 0.000 2.454 35 D HA 0.479 5.119 4.640 0.001 0.000 0.225 35 D C 0.598 177.003 176.300 0.174 0.000 1.081 35 D CA 0.232 54.314 54.000 0.137 0.000 0.864 35 D CB 1.020 41.913 40.800 0.154 0.000 1.040 35 D HN 0.654 nan 8.370 nan 0.000 0.517 36 G N 2.289 111.159 108.800 0.117 0.000 2.503 36 G HA2 0.491 4.452 3.960 0.001 0.000 0.257 36 G HA3 0.491 4.452 3.960 0.001 0.000 0.257 36 G C -0.442 174.548 174.900 0.150 0.000 1.214 36 G CA -0.384 44.744 45.100 0.047 0.000 0.839 36 G HN 0.459 nan 8.290 nan 0.000 0.559 37 F N -1.032 118.956 119.950 0.064 0.000 2.626 37 F HA 0.841 5.369 4.527 0.001 0.000 0.311 37 F C 0.348 176.181 175.800 0.056 0.000 1.088 37 F CA -0.753 57.284 58.000 0.061 0.000 0.949 37 F CB 1.219 40.257 39.000 0.063 0.000 1.322 37 F HN 1.457 nan 8.300 nan 0.000 0.461 38 G N 0.222 109.191 108.800 0.281 0.000 2.710 38 G HA2 0.319 4.279 3.960 0.001 0.000 0.668 38 G HA3 0.319 4.279 3.960 0.001 0.000 0.668 38 G C 0.404 175.353 174.900 0.081 0.000 1.320 38 G CA -0.104 45.094 45.100 0.164 0.000 0.860 38 G HN 1.851 nan 8.290 nan 0.000 0.538 39 A N -0.359 122.498 122.820 0.061 0.000 2.019 39 A HA 0.090 4.410 4.320 0.001 0.000 0.219 39 A C 2.008 179.623 177.584 0.051 0.000 1.164 39 A CA 2.129 54.199 52.037 0.055 0.000 0.644 39 A CB -0.146 18.881 19.000 0.044 0.000 0.805 39 A HN 0.721 nan 8.150 nan 0.000 0.449 40 R N -1.040 119.436 120.500 -0.041 0.000 2.700 40 R HA 0.175 4.516 4.340 0.001 0.000 0.377 40 R C 1.581 177.709 176.300 -0.287 0.000 1.130 40 R CA 0.338 56.281 56.100 -0.262 0.000 1.055 40 R CB 0.142 30.335 30.300 -0.178 0.000 1.387 40 R HN 0.404 nan 8.270 nan 0.000 0.580 41 G N 1.241 109.988 108.800 -0.088 0.000 2.450 41 G HA2 -0.304 3.657 3.960 0.001 0.000 0.220 41 G HA3 -0.304 3.657 3.960 0.001 0.000 0.220 41 G C 1.319 176.192 174.900 -0.045 0.000 1.130 41 G CA 0.848 45.892 45.100 -0.093 0.000 0.760 41 G HN 0.465 nan 8.290 nan 0.000 0.557 42 H N -0.335 118.661 119.070 -0.124 0.000 2.389 42 H HA -0.011 4.546 4.556 0.001 0.000 0.299 42 H C 2.035 177.371 175.328 0.014 0.000 1.081 42 H CA 1.407 57.413 56.048 -0.069 0.000 1.345 42 H CB -1.056 28.649 29.762 -0.095 0.000 1.393 42 H HN 0.591 nan 8.280 nan 0.000 0.520 43 H N 0.841 119.601 119.070 -0.517 0.000 2.389 43 H HA 0.082 4.638 4.556 0.001 0.000 0.299 43 H C 2.449 177.675 175.328 -0.170 0.000 1.081 43 H CA 0.718 56.581 56.048 -0.309 0.000 1.345 43 H CB 0.260 29.810 29.762 -0.352 0.000 1.393 43 H HN 0.507 nan 8.280 nan 0.000 0.520 44 A N 0.889 123.674 122.820 -0.058 0.000 1.855 44 A HA -0.206 4.115 4.320 0.001 0.000 0.215 44 A C 2.557 180.119 177.584 -0.038 0.000 1.191 44 A CA 1.715 53.710 52.037 -0.070 0.000 0.613 44 A CB -0.744 18.158 19.000 -0.164 0.000 0.829 44 A HN 0.506 nan 8.150 nan 0.000 0.442 45 S N 0.301 115.987 115.700 -0.023 0.000 2.368 45 S HA 0.026 4.497 4.470 0.001 0.000 0.225 45 S C 2.108 176.721 174.600 0.022 0.000 1.030 45 S CA 1.370 59.576 58.200 0.011 0.000 0.999 45 S CB -0.713 62.508 63.200 0.035 0.000 0.844 45 S HN 0.880 nan 8.310 nan 0.000 0.459 46 A N 1.806 124.646 122.820 0.033 0.000 1.898 46 A HA -0.005 4.316 4.320 0.001 0.000 0.216 46 A C 2.437 180.031 177.584 0.016 0.000 1.181 46 A CA 1.994 54.051 52.037 0.035 0.000 0.620 46 A CB -1.610 17.425 19.000 0.057 0.000 0.819 46 A HN 0.552 nan 8.150 nan 0.000 0.442 47 T N 0.297 114.856 114.554 0.007 0.000 2.777 47 T HA 0.008 4.359 4.350 0.001 0.000 0.266 47 T C 2.224 176.925 174.700 0.003 0.000 1.040 47 T CA 1.468 63.566 62.100 -0.004 0.000 1.141 47 T CB -0.432 68.427 68.868 -0.015 0.000 0.868 47 T HN 0.585 nan 8.240 nan 0.000 0.444 48 A N 1.360 124.182 122.820 0.004 0.000 1.883 48 A HA -0.008 4.313 4.320 0.001 0.000 0.217 48 A C 2.289 179.878 177.584 0.008 0.000 1.186 48 A CA 1.256 53.298 52.037 0.009 0.000 0.624 48 A CB -0.804 18.202 19.000 0.009 0.000 0.822 48 A HN 0.477 nan 8.150 nan 0.000 0.444 49 L N -1.177 120.050 121.223 0.007 0.000 2.156 49 L HA -0.111 4.230 4.340 0.001 0.000 0.208 49 L C 2.598 179.469 176.870 0.001 0.000 1.095 49 L CA 1.570 56.410 54.840 0.000 0.000 0.770 49 L CB -0.449 41.611 42.059 0.001 0.000 0.914 49 L HN 0.441 nan 8.230 nan 0.000 0.439 50 K N -0.033 120.370 120.400 0.005 0.000 2.057 50 K HA -0.155 4.165 4.320 0.001 0.000 0.207 50 K C 2.009 178.616 176.600 0.012 0.000 1.049 50 K CA 1.846 58.137 56.287 0.006 0.000 0.931 50 K CB 0.031 32.533 32.500 0.003 0.000 0.714 50 K HN 0.190 nan 8.250 nan 0.000 0.440 51 T N 1.626 116.188 114.554 0.013 0.000 2.777 51 T HA -0.129 4.222 4.350 0.001 0.000 0.266 51 T C 1.658 176.378 174.700 0.034 0.000 1.040 51 T CA 1.049 63.161 62.100 0.021 0.000 1.141 51 T CB -0.158 68.722 68.868 0.020 0.000 0.868 51 T HN 0.134 nan 8.240 nan 0.000 0.444 52 L N 1.187 122.426 121.223 0.028 0.000 2.017 52 L HA -0.045 4.295 4.340 0.001 0.000 0.208 52 L C 2.643 179.552 176.870 0.065 0.000 1.073 52 L CA 1.892 56.754 54.840 0.036 0.000 0.745 52 L CB -0.957 41.101 42.059 -0.002 0.000 0.894 52 L HN 0.194 nan 8.230 nan 0.000 0.432 53 S N -0.967 114.756 115.700 0.038 0.000 2.368 53 S HA -0.182 4.289 4.470 0.001 0.000 0.225 53 S C 2.125 176.778 174.600 0.088 0.000 1.030 53 S CA 1.293 59.526 58.200 0.055 0.000 0.999 53 S CB -0.486 62.721 63.200 0.012 0.000 0.844 53 S HN 0.643 nan 8.310 nan 0.000 0.459 54 A N 0.706 123.561 122.820 0.057 0.000 1.898 54 A HA 0.164 4.485 4.320 0.001 0.000 0.216 54 A C 2.352 179.970 177.584 0.057 0.000 1.181 54 A CA 1.736 53.800 52.037 0.046 0.000 0.620 54 A CB -1.591 17.425 19.000 0.027 0.000 0.819 54 A HN 0.631 nan 8.150 nan 0.000 0.442 55 G N -1.462 107.383 108.800 0.075 0.000 2.402 55 G HA2 -0.184 3.777 3.960 0.001 0.000 0.216 55 G HA3 -0.184 3.777 3.960 0.001 0.000 0.216 55 G C 1.465 176.429 174.900 0.107 0.000 1.162 55 G CA 1.085 46.231 45.100 0.078 0.000 0.777 55 G HN 0.456 nan 8.290 nan 0.000 0.539 56 F N 2.362 122.316 119.950 0.007 0.000 2.146 56 F HA 0.118 4.646 4.527 0.001 0.000 0.298 56 F C 2.782 178.589 175.800 0.013 0.000 1.096 56 F CA 1.214 59.224 58.000 0.016 0.000 1.275 56 F CB -0.181 38.817 39.000 -0.003 0.000 1.008 56 F HN 0.216 nan 8.300 nan 0.000 0.480 57 A N 0.022 122.875 122.820 0.055 0.000 1.972 57 A HA -0.041 4.280 4.320 0.001 0.000 0.219 57 A C 2.241 179.770 177.584 -0.091 0.000 1.169 57 A CA 1.637 53.656 52.037 -0.030 0.000 0.635 57 A CB -1.348 17.669 19.000 0.028 0.000 0.810 57 A HN 0.455 nan 8.150 nan 0.000 0.446 58 A N -1.755 121.024 122.820 -0.067 0.000 2.178 58 A HA 0.593 4.914 4.320 0.001 0.000 0.211 58 A C 1.074 178.603 177.584 -0.093 0.000 1.157 58 A CA 1.041 53.041 52.037 -0.062 0.000 0.780 58 A CB -0.163 18.822 19.000 -0.026 0.000 0.828 58 A HN 1.359 nan 8.150 nan 0.000 0.476 59 A N 0.434 123.162 122.820 -0.153 0.000 3.158 59 A HA 0.576 4.897 4.320 0.001 0.000 0.302 59 A C -3.066 174.313 177.584 -0.342 0.000 1.162 59 A CA -0.857 51.078 52.037 -0.169 0.000 0.824 59 A CB 0.520 19.473 19.000 -0.079 0.000 1.322 59 A HN 0.052 nan 8.150 nan 0.000 0.510 60 P HA 0.343 nan 4.420 nan 0.000 0.219 60 P C -1.181 175.963 177.300 -0.260 0.000 1.832 60 P CA 0.390 62.932 63.100 -0.931 0.000 1.014 60 P CB 0.085 31.331 31.700 -0.758 0.000 1.939 61 D N -1.236 119.122 120.400 -0.070 0.000 2.664 61 D HA 0.212 4.853 4.640 0.001 0.000 0.292 61 D C 1.160 177.486 176.300 0.043 0.000 1.214 61 D CA -1.051 52.904 54.000 -0.076 0.000 0.932 61 D CB 0.856 41.552 40.800 -0.174 0.000 1.420 61 D HN -0.134 nan 8.370 nan 0.000 0.471 62 R N -0.403 119.930 120.500 -0.278 0.000 2.083 62 R HA -0.169 4.172 4.340 0.001 0.000 0.237 62 R C 0.705 177.049 176.300 0.073 0.000 1.137 62 R CA 1.944 58.012 56.100 -0.054 0.000 0.951 62 R CB -0.371 29.827 30.300 -0.170 0.000 0.851 62 R HN 0.438 nan 8.270 nan 0.000 0.434 63 D N -0.697 119.709 120.400 0.009 0.000 2.144 63 D HA -0.093 4.548 4.640 0.001 0.000 0.199 63 D C 1.712 178.050 176.300 0.063 0.000 0.984 63 D CA 1.529 55.546 54.000 0.029 0.000 0.834 63 D CB -0.527 40.270 40.800 -0.004 0.000 0.955 63 D HN 0.526 nan 8.370 nan 0.000 0.465 64 G N 0.653 109.494 108.800 0.068 0.000 2.422 64 G HA2 -0.207 3.753 3.960 0.001 0.000 0.218 64 G HA3 -0.207 3.753 3.960 0.001 0.000 0.218 64 G C 1.582 176.601 174.900 0.199 0.000 1.146 64 G CA 0.567 45.716 45.100 0.081 0.000 0.769 64 G HN 0.247 nan 8.290 nan 0.000 0.547 65 L N 0.480 121.908 121.223 0.341 0.000 2.017 65 L HA 0.115 4.456 4.340 0.001 0.000 0.208 65 L C 2.708 179.689 176.870 0.185 0.000 1.073 65 L CA 1.421 56.490 54.840 0.381 0.000 0.745 65 L CB -0.565 41.756 42.059 0.436 0.000 0.894 65 L HN 0.201 nan 8.230 nan 0.000 0.432 66 L N -0.579 120.730 121.223 0.144 0.000 2.046 66 L HA -0.199 4.142 4.340 0.001 0.000 0.208 66 L C 2.597 179.507 176.870 0.068 0.000 1.077 66 L CA 1.481 56.373 54.840 0.087 0.000 0.747 66 L CB -0.600 41.502 42.059 0.071 0.000 0.896 66 L HN 0.351 nan 8.230 nan 0.000 0.432 67 E N 0.559 120.802 120.200 0.072 0.000 2.077 67 E HA -0.194 4.157 4.350 0.001 0.000 0.193 67 E C 2.123 178.759 176.600 0.060 0.000 0.989 67 E CA 1.462 57.895 56.400 0.056 0.000 0.800 67 E CB -0.127 29.601 29.700 0.047 0.000 0.746 67 E HN 0.355 nan 8.360 nan 0.000 0.452 68 A N 0.093 122.964 122.820 0.087 0.000 1.940 68 A HA -0.158 4.163 4.320 0.001 0.000 0.219 68 A C 2.493 180.112 177.584 0.058 0.000 1.176 68 A CA 1.683 53.771 52.037 0.084 0.000 0.631 68 A CB -0.782 18.299 19.000 0.135 0.000 0.814 68 A HN 0.209 nan 8.150 nan 0.000 0.446 69 V N -0.054 119.891 119.914 0.052 0.000 2.343 69 V HA -0.259 3.861 4.120 0.001 0.000 0.247 69 V C 2.746 178.851 176.094 0.019 0.000 1.051 69 V CA 2.031 64.348 62.300 0.029 0.000 1.036 69 V CB -0.708 31.129 31.823 0.023 0.000 0.654 69 V HN 0.546 nan 8.190 nan 0.000 0.451 70 Q N -0.436 119.376 119.800 0.021 0.000 2.084 70 Q HA -0.201 4.140 4.340 0.001 0.000 0.202 70 Q C 2.341 178.354 176.000 0.022 0.000 0.978 70 Q CA 1.408 57.218 55.803 0.012 0.000 0.844 70 Q CB -0.441 28.306 28.738 0.015 0.000 0.898 70 Q HN 0.609 nan 8.270 nan 0.000 0.426 71 Q N -0.064 119.755 119.800 0.031 0.000 2.119 71 Q HA -0.015 4.326 4.340 0.001 0.000 0.201 71 Q C 2.006 178.027 176.000 0.035 0.000 0.972 71 Q CA 1.303 57.127 55.803 0.035 0.000 0.847 71 Q CB -0.404 28.355 28.738 0.036 0.000 0.903 71 Q HN 0.367 nan 8.270 nan 0.000 0.433 72 A N 1.422 124.261 122.820 0.031 0.000 1.902 72 A HA -0.249 4.071 4.320 0.001 0.000 0.217 72 A C 2.005 179.609 177.584 0.032 0.000 1.181 72 A CA 1.844 53.898 52.037 0.028 0.000 0.623 72 A CB -0.794 18.219 19.000 0.022 0.000 0.818 72 A HN 0.464 nan 8.150 nan 0.000 0.443 73 N N 0.039 118.754 118.700 0.026 0.000 2.069 73 N HA -0.126 4.615 4.740 0.001 0.000 0.191 73 N C 1.562 177.117 175.510 0.074 0.000 1.031 73 N CA 1.855 54.921 53.050 0.027 0.000 0.852 73 N CB -0.362 38.116 38.487 -0.016 0.000 1.018 73 N HN 0.467 nan 8.380 nan 0.000 0.423 74 L N -0.562 120.705 121.223 0.074 0.000 2.093 74 L HA -0.078 4.263 4.340 0.001 0.000 0.208 74 L C 2.570 179.516 176.870 0.128 0.000 1.085 74 L CA 0.823 55.738 54.840 0.126 0.000 0.755 74 L CB -0.317 41.796 42.059 0.090 0.000 0.904 74 L HN 0.206 nan 8.230 nan 0.000 0.435 75 R N 0.013 120.558 120.500 0.075 0.000 2.070 75 R HA -0.123 4.218 4.340 0.001 0.000 0.233 75 R C 2.129 178.455 176.300 0.043 0.000 1.137 75 R CA 1.481 57.608 56.100 0.045 0.000 0.945 75 R CB -0.737 29.579 30.300 0.027 0.000 0.845 75 R HN 0.076 nan 8.270 nan 0.000 0.430 76 V N 0.512 120.460 119.914 0.056 0.000 2.407 76 V HA -0.206 3.914 4.120 0.001 0.000 0.248 76 V C 2.022 178.169 176.094 0.090 0.000 1.055 76 V CA 1.820 64.148 62.300 0.046 0.000 1.049 76 V CB -0.678 31.164 31.823 0.032 0.000 0.662 76 V HN 0.273 nan 8.190 nan 0.000 0.455 77 F N 1.313 121.251 119.950 -0.020 0.000 2.146 77 F HA -0.125 4.403 4.527 0.002 0.000 0.298 77 F C 2.334 178.129 175.800 -0.009 0.000 1.096 77 F CA 1.844 59.837 58.000 -0.011 0.000 1.275 77 F CB -0.246 38.755 39.000 0.002 0.000 1.008 77 F HN 0.233 nan 8.300 nan 0.000 0.480 78 E N -0.150 120.009 120.200 -0.069 0.000 2.106 78 E HA -0.197 4.154 4.350 0.001 0.000 0.192 78 E C 2.092 178.596 176.600 -0.161 0.000 0.984 78 E CA 1.211 57.509 56.400 -0.170 0.000 0.806 78 E CB -0.344 29.327 29.700 -0.049 0.000 0.750 78 E HN 0.390 nan 8.360 nan 0.000 0.458 79 L N 0.288 121.453 121.223 -0.097 0.000 2.072 79 L HA -0.084 4.257 4.340 0.001 0.000 0.205 79 L C 1.798 178.611 176.870 -0.096 0.000 1.079 79 L CA 1.572 56.360 54.840 -0.087 0.000 0.752 79 L CB 0.142 42.163 42.059 -0.063 0.000 0.906 79 L HN 0.064 nan 8.230 nan 0.000 0.436 80 L N -1.813 119.354 121.223 -0.094 0.000 2.638 80 L HA 0.275 4.615 4.340 0.001 0.000 0.232 80 L C 2.212 179.023 176.870 -0.098 0.000 1.099 80 L CA 0.496 55.293 54.840 -0.071 0.000 0.883 80 L CB -0.545 41.491 42.059 -0.038 0.000 1.136 80 L HN 0.285 nan 8.230 nan 0.000 0.492 81 G N -0.216 108.444 108.800 -0.233 0.000 2.470 81 G HA2 -0.196 3.765 3.960 0.001 0.000 0.220 81 G HA3 -0.196 3.765 3.960 0.001 0.000 0.220 81 G C 0.908 175.688 174.900 -0.200 0.000 1.121 81 G CA 0.615 45.519 45.100 -0.327 0.000 0.766 81 G HN 0.249 nan 8.290 nan 0.000 0.553 82 D N 0.297 120.591 120.400 -0.176 0.000 2.349 82 D HA 0.089 4.730 4.640 0.001 0.000 0.214 82 D C 0.691 176.962 176.300 -0.049 0.000 1.063 82 D CA 0.053 53.993 54.000 -0.101 0.000 0.847 82 D CB 0.335 41.072 40.800 -0.106 0.000 0.933 82 D HN 0.237 nan 8.370 nan 0.000 0.513 83 E N 0.890 121.068 120.200 -0.037 0.000 2.408 83 E HA 0.058 4.409 4.350 0.001 0.000 0.259 83 E C -1.317 175.289 176.600 0.009 0.000 1.110 83 E CA -1.293 55.101 56.400 -0.010 0.000 0.929 83 E CB 0.638 30.337 29.700 -0.003 0.000 0.971 83 E HN -0.035 nan 8.360 nan 0.000 0.438 84 P HA -0.101 nan 4.420 nan 0.000 0.218 84 P C 0.292 177.613 177.300 0.035 0.000 1.148 84 P CA 1.382 64.496 63.100 0.023 0.000 0.822 84 P CB 0.205 31.918 31.700 0.021 0.000 0.784 85 T N -4.593 109.985 114.554 0.041 0.000 2.916 85 T HA 0.511 4.862 4.350 0.001 0.000 0.292 85 T C -0.382 174.360 174.700 0.070 0.000 1.064 85 T CA -0.968 61.167 62.100 0.058 0.000 1.011 85 T CB 1.405 70.309 68.868 0.060 0.000 1.152 85 T HN -0.335 nan 8.240 nan 0.000 0.510 86 V N 2.451 122.427 119.914 0.103 0.000 2.488 86 V HA 0.493 4.614 4.120 0.001 0.000 0.277 86 V C 0.221 176.388 176.094 0.122 0.000 1.046 86 V CA -0.251 62.129 62.300 0.134 0.000 0.986 86 V CB 0.754 32.696 31.823 0.198 0.000 0.989 86 V HN 1.058 nan 8.190 nan 0.000 0.475 87 S N 2.730 118.434 115.700 0.007 0.000 2.536 87 S HA 0.951 5.422 4.470 0.001 0.000 0.298 87 S C 0.319 174.667 174.600 -0.419 0.000 1.083 87 S CA -0.091 57.989 58.200 -0.201 0.000 0.995 87 S CB 2.079 65.187 63.200 -0.154 0.000 1.058 87 S HN 1.143 nan 8.310 nan 0.000 0.488 88 G N 0.113 108.258 108.800 -1.090 0.000 2.570 88 G HA2 0.686 4.647 3.960 0.001 0.000 0.310 88 G HA3 0.686 4.647 3.960 0.001 0.000 0.310 88 G C -1.326 172.979 174.900 -0.992 0.000 1.266 88 G CA -0.333 44.249 45.100 -0.862 0.000 0.825 88 G HN 0.776 nan 8.290 nan 0.000 0.483 89 T N -0.866 113.475 114.554 -0.355 0.000 2.885 89 T HA 0.616 4.967 4.350 0.001 0.000 0.322 89 T C 0.176 175.000 174.700 0.208 0.000 1.387 89 T CA 0.499 62.587 62.100 -0.020 0.000 1.041 89 T CB 1.188 70.034 68.868 -0.036 0.000 1.287 89 T HN 1.388 nan 8.240 nan 0.000 0.491 90 T N 1.274 115.969 114.554 0.235 0.000 2.788 90 T HA 0.735 5.086 4.350 0.001 0.000 0.280 90 T C -0.544 174.219 174.700 0.105 0.000 0.984 90 T CA -0.643 61.560 62.100 0.172 0.000 0.972 90 T CB 1.073 70.031 68.868 0.151 0.000 1.039 90 T HN 0.573 nan 8.240 nan 0.000 0.530 91 L N 0.522 121.795 121.223 0.084 0.000 2.562 91 L HA 0.577 4.917 4.340 0.001 0.000 0.266 91 L C -1.033 175.862 176.870 0.041 0.000 0.949 91 L CA -0.144 54.727 54.840 0.052 0.000 0.879 91 L CB 2.136 44.218 42.059 0.037 0.000 1.278 91 L HN 0.982 nan 8.230 nan 0.000 0.404 92 T N 4.099 118.667 114.554 0.023 0.000 2.840 92 T HA 0.911 5.262 4.350 0.001 0.000 0.287 92 T C -0.743 173.944 174.700 -0.021 0.000 0.991 92 T CA -0.200 61.901 62.100 0.001 0.000 0.964 92 T CB 1.515 70.381 68.868 -0.003 0.000 0.954 92 T HN 0.831 nan 8.240 nan 0.000 0.438 93 A N 2.559 125.348 122.820 -0.052 0.000 2.386 93 A HA 0.889 5.210 4.320 0.001 0.000 0.311 93 A C -0.388 177.121 177.584 -0.126 0.000 1.068 93 A CA -0.852 51.132 52.037 -0.088 0.000 0.743 93 A CB 1.302 20.232 19.000 -0.117 0.000 1.258 93 A HN 1.002 nan 8.150 nan 0.000 0.429 94 V N -0.398 119.444 119.914 -0.120 0.000 2.540 94 V HA 0.916 5.037 4.120 0.001 0.000 0.302 94 V C -0.076 175.886 176.094 -0.220 0.000 1.035 94 V CA -0.293 61.915 62.300 -0.152 0.000 0.873 94 V CB 1.171 32.928 31.823 -0.110 0.000 0.992 94 V HN 1.777 nan 8.190 nan 0.000 0.428 95 A N 4.388 126.991 122.820 -0.361 0.000 2.273 95 A HA 0.728 5.049 4.320 0.001 0.000 0.315 95 A C -0.205 177.053 177.584 -0.544 0.000 1.256 95 A CA -0.580 51.066 52.037 -0.652 0.000 0.851 95 A CB 1.382 19.673 19.000 -1.182 0.000 1.172 95 A HN 1.441 nan 8.150 nan 0.000 0.508 96 V N 4.389 124.120 119.914 -0.306 0.000 2.071 96 V HA 0.110 4.231 4.120 0.001 0.000 0.254 96 V C -0.151 175.904 176.094 -0.064 0.000 1.456 96 V CA 0.069 62.299 62.300 -0.117 0.000 1.383 96 V CB -1.933 29.891 31.823 0.001 0.000 1.433 96 V HN 0.693 nan 8.190 nan 0.000 0.499 97 F N 1.226 121.221 119.950 0.074 0.000 2.506 97 F HA 0.158 4.686 4.527 0.001 0.000 0.351 97 F C 1.356 177.189 175.800 0.056 0.000 1.136 97 F CA -0.187 57.862 58.000 0.081 0.000 1.298 97 F CB 0.554 39.599 39.000 0.074 0.000 1.145 97 F HN 0.362 nan 8.300 nan 0.000 0.593 98 E N 3.590 123.959 120.200 0.282 0.000 2.425 98 E HA -0.027 4.324 4.350 0.001 0.000 0.258 98 E C -1.583 175.095 176.600 0.129 0.000 1.151 98 E CA -1.179 55.316 56.400 0.158 0.000 0.958 98 E CB 0.132 29.903 29.700 0.119 0.000 0.968 98 E HN 0.324 nan 8.360 nan 0.000 0.451 99 P HA -0.146 nan 4.420 nan 0.000 0.216 99 P C 1.207 178.525 177.300 0.029 0.000 1.150 99 P CA 1.354 64.487 63.100 0.054 0.000 0.837 99 P CB 0.012 31.736 31.700 0.041 0.000 0.786 100 G N -0.426 108.388 108.800 0.023 0.000 2.501 100 G HA2 -0.234 3.726 3.960 0.001 0.000 0.220 100 G HA3 -0.234 3.726 3.960 0.001 0.000 0.220 100 G C 1.242 176.118 174.900 -0.039 0.000 1.114 100 G CA 0.484 45.582 45.100 -0.003 0.000 0.757 100 G HN 0.368 nan 8.290 nan 0.000 0.559 101 Q N -0.913 118.858 119.800 -0.049 0.000 2.194 101 Q HA 0.322 4.662 4.340 0.001 0.000 0.214 101 Q C 1.423 177.283 176.000 -0.234 0.000 0.838 101 Q CA 0.283 55.966 55.803 -0.199 0.000 0.972 101 Q CB 1.063 29.628 28.738 -0.288 0.000 1.131 101 Q HN 0.448 nan 8.270 nan 0.000 0.498 102 G N 0.273 109.033 108.800 -0.067 0.000 2.179 102 G HA2 -0.147 3.814 3.960 0.001 0.000 0.220 102 G HA3 -0.147 3.814 3.960 0.001 0.000 0.220 102 G C 0.490 175.431 174.900 0.067 0.000 0.990 102 G CA -0.126 44.962 45.100 -0.020 0.000 0.646 102 G HN 0.758 nan 8.290 nan 0.000 0.517 103 G N -0.648 108.232 108.800 0.133 0.000 2.828 103 G HA2 0.179 4.140 3.960 0.001 0.000 0.463 103 G HA3 0.179 4.140 3.960 0.001 0.000 0.463 103 G C -1.945 173.095 174.900 0.234 0.000 1.394 103 G CA 0.021 45.220 45.100 0.165 0.000 0.862 103 G HN 0.889 nan 8.290 nan 0.000 0.540 104 P HA 0.396 nan 4.420 nan 0.000 0.264 104 P C -0.227 177.109 177.300 0.061 0.000 1.183 104 P CA 0.077 63.221 63.100 0.074 0.000 0.763 104 P CB 0.738 32.444 31.700 0.009 0.000 0.807 105 L N 4.827 126.063 121.223 0.021 0.000 2.408 105 L HA 0.493 4.834 4.340 0.001 0.000 0.268 105 L C -1.198 175.559 176.870 -0.188 0.000 0.986 105 L CA -0.649 54.178 54.840 -0.022 0.000 0.820 105 L CB 2.260 44.442 42.059 0.205 0.000 1.303 105 L HN 0.045 nan 8.230 nan 0.000 0.411 106 V N 4.968 124.646 119.914 -0.394 0.000 2.483 106 V HA 0.658 4.779 4.120 0.001 0.000 0.295 106 V C -0.611 175.281 176.094 -0.338 0.000 1.035 106 V CA -0.707 61.310 62.300 -0.471 0.000 0.896 106 V CB 1.839 33.132 31.823 -0.883 0.000 0.986 106 V HN 0.501 nan 8.190 nan 0.000 0.447 107 V N 5.434 125.250 119.914 -0.164 0.000 2.483 107 V HA 0.589 4.710 4.120 0.001 0.000 0.297 107 V C -0.507 175.586 176.094 -0.001 0.000 1.027 107 V CA -0.633 61.640 62.300 -0.044 0.000 0.855 107 V CB 1.816 33.629 31.823 -0.017 0.000 0.995 107 V HN 1.050 nan 8.190 nan 0.000 0.424 108 N N 5.135 123.885 118.700 0.083 0.000 2.235 108 N HA 0.674 5.414 4.740 0.001 0.000 0.293 108 N C -1.606 174.027 175.510 0.204 0.000 1.083 108 N CA -0.610 52.504 53.050 0.107 0.000 0.801 108 N CB 3.100 41.635 38.487 0.081 0.000 1.559 108 N HN 0.523 nan 8.380 nan 0.000 0.472 109 I N 0.880 121.559 120.570 0.181 0.000 2.534 109 I HA 0.569 4.740 4.170 0.001 0.000 0.286 109 I C 0.619 176.890 176.117 0.257 0.000 1.094 109 I CA -0.169 61.287 61.300 0.259 0.000 1.055 109 I CB 1.510 39.574 38.000 0.106 0.000 1.225 109 I HN 1.019 nan 8.210 nan 0.000 0.435 110 G N 5.347 114.392 108.800 0.410 0.000 2.445 110 G HA2 -0.164 3.796 3.960 0.001 0.000 0.212 110 G HA3 -0.164 3.796 3.960 0.001 0.000 0.212 110 G C -0.689 174.207 174.900 -0.007 0.000 1.217 110 G CA 0.163 45.364 45.100 0.169 0.000 1.002 110 G HN 0.809 nan 8.290 nan 0.000 0.574 111 D N -0.693 119.700 120.400 -0.012 0.000 2.720 111 D HA 0.432 5.073 4.640 0.001 0.000 0.285 111 D C 0.115 176.393 176.300 -0.038 0.000 1.359 111 D CA 0.297 54.252 54.000 -0.076 0.000 0.818 111 D CB 0.204 40.953 40.800 -0.084 0.000 1.108 111 D HN 0.443 nan 8.370 nan 0.000 0.474 112 S N 2.015 117.707 115.700 -0.013 0.000 2.434 112 S HA 0.464 4.935 4.470 0.001 0.000 0.318 112 S C -2.544 172.035 174.600 -0.036 0.000 1.062 112 S CA -0.914 57.301 58.200 0.025 0.000 1.116 112 S CB 1.386 64.622 63.200 0.060 0.000 0.977 112 S HN 0.159 nan 8.310 nan 0.000 0.480 113 P HA 0.329 nan 4.420 nan 0.000 0.277 113 P C -0.831 176.289 177.300 -0.300 0.000 1.240 113 P CA -0.786 62.123 63.100 -0.319 0.000 0.798 113 P CB 0.569 31.871 31.700 -0.663 0.000 0.979 114 L N 3.575 124.588 121.223 -0.350 0.000 2.295 114 L HA 0.501 4.842 4.340 0.001 0.000 0.285 114 L C -1.454 175.191 176.870 -0.375 0.000 1.035 114 L CA -0.382 54.327 54.840 -0.217 0.000 0.806 114 L CB 0.252 42.254 42.059 -0.094 0.000 1.214 114 L HN 0.269 nan 8.230 nan 0.000 0.426 115 Y N 3.622 123.935 120.300 0.022 0.000 2.485 115 Y HA 0.607 5.158 4.550 0.001 0.000 0.345 115 Y C -0.125 175.788 175.900 0.023 0.000 0.998 115 Y CA -0.837 57.278 58.100 0.024 0.000 1.059 115 Y CB 1.546 40.035 38.460 0.049 0.000 1.234 115 Y HN 0.521 nan 8.280 nan 0.000 0.461 116 R N 2.791 123.397 120.500 0.177 0.000 2.346 116 R HA 0.666 5.007 4.340 0.001 0.000 0.311 116 R C -1.685 174.684 176.300 0.114 0.000 0.983 116 R CA -0.540 55.626 56.100 0.112 0.000 0.880 116 R CB 0.686 31.034 30.300 0.079 0.000 1.100 116 R HN 0.805 nan 8.270 nan 0.000 0.453 117 I N 4.392 125.007 120.570 0.076 0.000 2.355 117 I HA 0.414 4.584 4.170 0.001 0.000 0.288 117 I C -0.149 175.991 176.117 0.037 0.000 0.999 117 I CA -0.458 60.876 61.300 0.056 0.000 1.163 117 I CB 1.591 39.608 38.000 0.027 0.000 1.316 117 I HN 0.464 nan 8.210 nan 0.000 0.454 118 R N 5.886 126.416 120.500 0.050 0.000 2.515 118 R HA 0.245 4.586 4.340 0.001 0.000 0.291 118 R C -1.001 175.315 176.300 0.026 0.000 1.046 118 R CA -0.415 55.710 56.100 0.042 0.000 0.914 118 R CB 1.077 31.416 30.300 0.064 0.000 1.191 118 R HN 0.653 nan 8.270 nan 0.000 0.435 119 D N 3.443 123.829 120.400 -0.023 0.000 2.751 119 D HA -0.198 4.443 4.640 0.001 0.000 0.233 119 D C 0.672 176.800 176.300 -0.286 0.000 1.149 119 D CA 1.919 55.867 54.000 -0.087 0.000 0.682 119 D CB -0.871 39.924 40.800 -0.008 0.000 1.068 119 D HN 1.095 nan 8.370 nan 0.000 0.429 120 G N -0.497 108.170 108.800 -0.222 0.000 2.179 120 G HA2 -0.309 3.652 3.960 0.001 0.000 0.260 120 G HA3 -0.309 3.652 3.960 0.001 0.000 0.260 120 G C 0.069 174.798 174.900 -0.286 0.000 0.977 120 G CA 0.439 45.375 45.100 -0.274 0.000 0.641 120 G HN 0.621 nan 8.290 nan 0.000 0.533 121 H N -0.513 118.561 119.070 0.008 0.000 2.466 121 H HA 0.581 5.138 4.556 0.001 0.000 0.338 121 H C 0.123 175.465 175.328 0.024 0.000 1.091 121 H CA -0.500 55.556 56.048 0.013 0.000 1.207 121 H CB 1.436 31.206 29.762 0.014 0.000 1.466 121 H HN 0.313 nan 8.280 nan 0.000 0.493 122 M N 2.723 122.414 119.600 0.151 0.000 2.180 122 M HA 0.217 4.698 4.480 0.001 0.000 0.350 122 M C -0.522 175.865 176.300 0.145 0.000 1.125 122 M CA -0.326 55.045 55.300 0.118 0.000 1.031 122 M CB 1.135 33.765 32.600 0.051 0.000 1.623 122 M HN 0.619 nan 8.290 nan 0.000 0.451 123 E N 4.225 124.526 120.200 0.167 0.000 2.224 123 E HA 0.215 4.566 4.350 0.001 0.000 0.265 123 E C -1.493 175.203 176.600 0.160 0.000 0.878 123 E CA -0.598 55.882 56.400 0.134 0.000 0.759 123 E CB 1.791 31.538 29.700 0.077 0.000 1.164 123 E HN 0.756 nan 8.360 nan 0.000 0.414 124 Q N 4.679 124.538 119.800 0.098 0.000 2.297 124 Q HA 0.120 4.461 4.340 0.001 0.000 0.267 124 Q C 0.257 176.193 176.000 -0.107 0.000 1.006 124 Q CA 0.013 55.742 55.803 -0.123 0.000 0.896 124 Q CB 0.824 29.410 28.738 -0.253 0.000 1.186 124 Q HN 0.761 nan 8.270 nan 0.000 0.392 125 L N 2.434 123.597 121.223 -0.100 0.000 2.408 125 L HA 0.125 4.466 4.340 0.001 0.000 0.215 125 L C 0.998 177.882 176.870 0.023 0.000 1.081 125 L CA 0.221 55.073 54.840 0.021 0.000 0.840 125 L CB 0.058 42.218 42.059 0.167 0.000 1.002 125 L HN 0.654 nan 8.230 nan 0.000 0.468 126 T N -2.751 111.784 114.554 -0.033 0.000 2.922 126 T HA 0.297 4.648 4.350 0.001 0.000 0.285 126 T C -0.281 174.307 174.700 -0.185 0.000 1.005 126 T CA -0.887 61.199 62.100 -0.024 0.000 1.061 126 T CB 1.684 70.534 68.868 -0.029 0.000 1.007 126 T HN -0.121 nan 8.240 nan 0.000 0.502 127 D N 1.624 121.897 120.400 -0.212 0.000 2.255 127 D HA 0.250 4.891 4.640 0.001 0.000 0.249 127 D C -0.438 175.604 176.300 -0.430 0.000 1.078 127 D CA -0.237 53.603 54.000 -0.266 0.000 0.896 127 D CB 0.887 41.571 40.800 -0.194 0.000 1.194 127 D HN 0.510 nan 8.370 nan 0.000 0.429 128 D N 1.067 121.254 120.400 -0.354 0.000 2.277 128 D HA 0.089 4.730 4.640 0.001 0.000 0.249 128 D C 0.110 176.215 176.300 -0.326 0.000 1.134 128 D CA -0.132 53.650 54.000 -0.363 0.000 0.863 128 D CB 0.721 41.374 40.800 -0.246 0.000 1.143 128 D HN 0.262 nan 8.370 nan 0.000 0.458 129 H N 1.117 120.145 119.070 -0.071 0.000 2.745 129 H HA 0.232 4.789 4.556 0.001 0.000 0.235 129 H C 0.350 175.634 175.328 -0.075 0.000 1.815 129 H CA -0.315 55.696 56.048 -0.063 0.000 1.321 129 H CB -0.359 29.380 29.762 -0.039 0.000 1.716 129 H HN 0.211 nan 8.280 nan 0.000 0.546 130 S N -1.219 114.463 115.700 -0.030 0.000 2.667 130 S HA 0.327 4.798 4.470 0.001 0.000 0.292 130 S C 1.142 175.693 174.600 -0.083 0.000 1.126 130 S CA -0.803 57.358 58.200 -0.065 0.000 0.881 130 S CB 1.629 64.759 63.200 -0.115 0.000 1.132 130 S HN 0.028 nan 8.310 nan 0.000 0.492 131 V N 1.292 121.155 119.914 -0.086 0.000 2.287 131 V HA -0.159 3.962 4.120 0.001 0.000 0.248 131 V C 2.998 178.951 176.094 -0.234 0.000 1.053 131 V CA 2.648 64.881 62.300 -0.112 0.000 1.027 131 V CB -1.611 30.177 31.823 -0.059 0.000 0.646 131 V HN 1.017 nan 8.190 nan 0.000 0.447 132 A N 0.381 123.014 122.820 -0.311 0.000 1.902 132 A HA -0.089 4.232 4.320 0.001 0.000 0.217 132 A C 2.419 179.849 177.584 -0.257 0.000 1.181 132 A CA 1.900 53.681 52.037 -0.426 0.000 0.623 132 A CB -1.225 17.573 19.000 -0.337 0.000 0.818 132 A HN 0.546 nan 8.150 nan 0.000 0.443 133 G N -0.434 108.248 108.800 -0.196 0.000 2.422 133 G HA2 -0.193 3.768 3.960 0.001 0.000 0.218 133 G HA3 -0.193 3.768 3.960 0.001 0.000 0.218 133 G C 1.362 176.184 174.900 -0.129 0.000 1.146 133 G CA 0.999 46.000 45.100 -0.165 0.000 0.769 133 G HN 0.506 nan 8.290 nan 0.000 0.547 134 E N 0.486 120.622 120.200 -0.107 0.000 2.107 134 E HA -0.000 4.350 4.350 0.001 0.000 0.191 134 E C 2.691 179.239 176.600 -0.087 0.000 0.982 134 E CA 0.300 56.657 56.400 -0.072 0.000 0.809 134 E CB -0.321 29.350 29.700 -0.049 0.000 0.756 134 E HN 0.452 nan 8.360 nan 0.000 0.459 135 L N 0.518 121.668 121.223 -0.123 0.000 2.083 135 L HA -0.156 4.185 4.340 0.001 0.000 0.209 135 L C 2.537 179.352 176.870 -0.092 0.000 1.083 135 L CA 0.708 55.483 54.840 -0.110 0.000 0.752 135 L CB -0.542 41.425 42.059 -0.153 0.000 0.899 135 L HN -0.022 nan 8.230 nan 0.000 0.433 136 V N -0.097 119.751 119.914 -0.110 0.000 2.295 136 V HA -0.275 3.845 4.120 0.001 0.000 0.246 136 V C 2.695 178.739 176.094 -0.083 0.000 1.049 136 V CA 1.896 64.139 62.300 -0.095 0.000 1.024 136 V CB -0.585 31.169 31.823 -0.115 0.000 0.648 136 V HN 0.417 nan 8.190 nan 0.000 0.447 137 R N 0.416 120.864 120.500 -0.087 0.000 2.105 137 R HA -0.110 4.231 4.340 0.001 0.000 0.239 137 R C 2.000 178.264 176.300 -0.060 0.000 1.135 137 R CA 1.959 58.013 56.100 -0.076 0.000 0.967 137 R CB -0.590 29.671 30.300 -0.066 0.000 0.861 137 R HN 0.497 nan 8.270 nan 0.000 0.442 138 M N -1.184 118.384 119.600 -0.053 0.000 2.619 138 M HA 0.174 4.655 4.480 0.001 0.000 0.251 138 M C 0.928 177.205 176.300 -0.038 0.000 1.106 138 M CA 1.029 56.304 55.300 -0.041 0.000 1.086 138 M CB 0.456 33.034 32.600 -0.037 0.000 1.465 138 M HN 0.483 nan 8.290 nan 0.000 0.506 139 G N 0.176 108.950 108.800 -0.043 0.000 2.136 139 G HA2 -0.207 3.754 3.960 0.001 0.000 0.242 139 G HA3 -0.207 3.754 3.960 0.001 0.000 0.242 139 G C 0.657 175.542 174.900 -0.026 0.000 0.989 139 G CA 0.242 45.321 45.100 -0.035 0.000 0.682 139 G HN 0.409 nan 8.290 nan 0.000 0.522 140 E N -0.414 119.770 120.200 -0.028 0.000 2.112 140 E HA 0.150 4.501 4.350 0.001 0.000 0.190 140 E C 1.706 178.301 176.600 -0.008 0.000 0.979 140 E CA 1.427 57.818 56.400 -0.016 0.000 0.814 140 E CB 0.162 29.851 29.700 -0.017 0.000 0.762 140 E HN 0.961 nan 8.360 nan 0.000 0.460 141 I N -2.046 118.513 120.570 -0.018 0.000 2.865 141 I HA 0.374 4.545 4.170 0.001 0.000 0.302 141 I C 0.076 176.182 176.117 -0.018 0.000 1.140 141 I CA -1.099 60.197 61.300 -0.006 0.000 1.021 141 I CB 2.194 40.196 38.000 0.004 0.000 1.233 141 I HN -0.246 nan 8.210 nan 0.000 0.427 142 T N 0.238 114.792 114.554 0.000 0.000 2.816 142 T HA 0.382 4.733 4.350 0.001 0.000 0.282 142 T C 1.110 175.800 174.700 -0.018 0.000 0.993 142 T CA -0.562 61.537 62.100 -0.002 0.000 0.994 142 T CB 1.323 70.210 68.868 0.031 0.000 1.025 142 T HN 0.703 nan 8.240 nan 0.000 0.529 143 R N -0.051 120.432 120.500 -0.029 0.000 2.103 143 R HA -0.194 4.147 4.340 0.001 0.000 0.242 143 R C 2.242 178.509 176.300 -0.055 0.000 1.142 143 R CA 2.270 58.334 56.100 -0.060 0.000 0.960 143 R CB -1.220 29.047 30.300 -0.055 0.000 0.858 143 R HN 0.912 nan 8.270 nan 0.000 0.439 144 H N 0.974 119.995 119.070 -0.082 0.000 2.293 144 H HA -0.081 4.476 4.556 0.002 0.000 0.300 144 H C 1.738 177.021 175.328 -0.075 0.000 1.082 144 H CA 2.066 58.066 56.048 -0.080 0.000 1.308 144 H CB 0.001 29.738 29.762 -0.041 0.000 1.375 144 H HN 0.269 nan 8.280 nan 0.000 0.495 145 E N -0.365 119.822 120.200 -0.023 0.000 2.153 145 E HA -0.129 4.222 4.350 0.001 0.000 0.194 145 E C 2.047 178.613 176.600 -0.057 0.000 0.988 145 E CA 0.761 57.141 56.400 -0.034 0.000 0.811 145 E CB -0.085 29.642 29.700 0.044 0.000 0.746 145 E HN 0.619 nan 8.360 nan 0.000 0.466 146 A N 0.945 123.716 122.820 -0.082 0.000 2.169 146 A HA -0.052 4.269 4.320 0.001 0.000 0.212 146 A C 1.901 179.403 177.584 -0.136 0.000 1.153 146 A CA 0.324 52.320 52.037 -0.067 0.000 0.756 146 A CB -0.246 18.687 19.000 -0.111 0.000 0.813 146 A HN 0.056 nan 8.150 nan 0.000 0.471 147 R N -0.891 119.418 120.500 -0.318 0.000 2.096 147 R HA -0.197 4.144 4.340 0.001 0.000 0.240 147 R C 0.506 176.454 176.300 -0.587 0.000 1.139 147 R CA 2.054 57.785 56.100 -0.615 0.000 0.952 147 R CB -0.215 29.482 30.300 -1.005 0.000 0.854 147 R HN 0.721 nan 8.270 nan 0.000 0.436 148 W N -0.165 121.132 121.300 -0.005 0.000 2.862 148 W HA 0.207 4.867 4.660 0.001 0.000 0.426 148 W C -0.030 176.508 176.519 0.033 0.000 0.950 148 W CA -1.074 56.282 57.345 0.018 0.000 2.150 148 W CB 0.106 29.559 29.460 -0.012 0.000 1.161 148 W HN 0.077 nan 8.180 nan 0.000 0.696 149 H N 4.045 123.176 119.070 0.103 0.000 2.964 149 H HA -0.005 4.551 4.556 0.001 0.000 0.328 149 H C -1.173 174.212 175.328 0.095 0.000 1.030 149 H CA -0.475 55.616 56.048 0.071 0.000 1.445 149 H CB 1.536 31.301 29.762 0.005 0.000 1.449 149 H HN -0.020 nan 8.280 nan 0.000 0.581 150 P HA -0.097 nan 4.420 nan 0.000 0.225 150 P C 0.241 177.636 177.300 0.158 0.000 1.148 150 P CA 1.112 64.231 63.100 0.030 0.000 0.779 150 P CB 0.334 31.990 31.700 -0.073 0.000 0.780 151 Q N -0.782 119.230 119.800 0.354 0.000 2.189 151 Q HA 0.181 4.522 4.340 0.001 0.000 0.221 151 Q C 1.944 178.045 176.000 0.169 0.000 0.848 151 Q CA -0.323 55.636 55.803 0.260 0.000 1.007 151 Q CB 0.188 29.072 28.738 0.243 0.000 1.116 151 Q HN 0.191 nan 8.270 nan 0.000 0.481 152 R N 0.459 121.063 120.500 0.172 0.000 2.117 152 R HA -0.171 4.170 4.340 0.001 0.000 0.243 152 R C 1.096 177.275 176.300 -0.201 0.000 1.143 152 R CA 1.403 57.472 56.100 -0.052 0.000 0.968 152 R CB 0.154 30.414 30.300 -0.068 0.000 0.863 152 R HN 0.423 nan 8.270 nan 0.000 0.444 153 H N -0.467 118.622 119.070 0.031 0.000 2.551 153 H HA 0.135 4.692 4.556 0.002 0.000 0.271 153 H C -0.092 175.209 175.328 -0.043 0.000 0.984 153 H CA 0.019 56.067 56.048 0.001 0.000 1.164 153 H CB 0.331 30.106 29.762 0.021 0.000 1.437 153 H HN 0.123 nan 8.280 nan 0.000 0.550 154 L N 2.506 123.745 121.223 0.027 0.000 2.283 154 L HA 0.194 4.535 4.340 0.001 0.000 0.287 154 L C 0.160 176.990 176.870 -0.066 0.000 1.073 154 L CA -0.205 54.618 54.840 -0.028 0.000 0.822 154 L CB 0.902 42.961 42.059 0.000 0.000 1.186 154 L HN -0.067 nan 8.230 nan 0.000 0.436 155 L N 3.013 124.161 121.223 -0.124 0.000 2.439 155 L HA 0.115 4.455 4.340 0.001 0.000 0.269 155 L C 1.445 178.283 176.870 -0.054 0.000 1.179 155 L CA 0.032 54.813 54.840 -0.098 0.000 0.828 155 L CB 1.016 42.975 42.059 -0.167 0.000 1.106 155 L HN 0.712 nan 8.230 nan 0.000 0.467 156 T N -1.515 113.035 114.554 -0.007 0.000 3.023 156 T HA 0.263 4.614 4.350 0.001 0.000 0.253 156 T C 0.658 175.353 174.700 -0.008 0.000 1.038 156 T CA -0.248 61.850 62.100 -0.003 0.000 0.962 156 T CB 0.285 69.156 68.868 0.005 0.000 1.018 156 T HN 0.526 nan 8.240 nan 0.000 0.521 157 R N 0.189 120.696 120.500 0.012 0.000 2.626 157 R HA 0.798 5.139 4.340 0.001 0.000 0.274 157 R C -1.736 174.598 176.300 0.056 0.000 1.031 157 R CA -0.741 55.348 56.100 -0.019 0.000 0.898 157 R CB 2.435 32.643 30.300 -0.153 0.000 1.222 157 R HN 0.284 nan 8.270 nan 0.000 0.455 158 A N 2.218 125.081 122.820 0.073 0.000 2.604 158 A HA 0.510 4.831 4.320 0.001 0.000 0.295 158 A C -1.799 175.854 177.584 0.114 0.000 1.067 158 A CA -0.691 51.454 52.037 0.180 0.000 0.683 158 A CB 1.654 20.873 19.000 0.365 0.000 1.281 158 A HN 0.649 nan 8.150 nan 0.000 0.407 159 L N 1.494 122.788 121.223 0.117 0.000 2.312 159 L HA 0.622 4.963 4.340 0.001 0.000 0.281 159 L C 1.155 178.048 176.870 0.039 0.000 1.070 159 L CA 1.341 56.209 54.840 0.048 0.000 0.805 159 L CB 1.429 43.512 42.059 0.040 0.000 1.174 159 L HN 1.922 nan 8.230 nan 0.000 0.434 160 G N 3.731 112.548 108.800 0.028 0.000 2.157 160 G HA2 -0.298 3.663 3.960 0.001 0.000 0.248 160 G HA3 -0.298 3.663 3.960 0.001 0.000 0.248 160 G C 0.467 175.463 174.900 0.160 0.000 0.979 160 G CA 0.535 45.683 45.100 0.080 0.000 0.650 160 G HN 0.878 nan 8.290 nan 0.000 0.529 161 I N -2.475 118.138 120.570 0.071 0.000 4.057 161 I HA 0.648 4.818 4.170 0.001 0.000 0.334 161 I C 0.804 176.838 176.117 -0.138 0.000 1.308 161 I CA 0.323 61.697 61.300 0.123 0.000 1.125 161 I CB 0.830 38.923 38.000 0.156 0.000 1.034 161 I HN 0.491 nan 8.210 nan 0.000 0.401 162 G N 1.258 109.703 108.800 -0.590 0.000 2.660 162 G HA2 0.448 4.409 3.960 0.001 0.000 0.290 162 G HA3 0.448 4.409 3.960 0.001 0.000 0.290 162 G C -2.711 171.572 174.900 -1.029 0.000 1.432 162 G CA -0.598 43.894 45.100 -1.014 0.000 0.807 162 G HN -0.225 nan 8.290 nan 0.000 0.485 163 P HA -0.040 nan 4.420 nan 0.000 0.229 163 P C 0.210 177.439 177.300 -0.118 0.000 1.160 163 P CA 0.855 63.764 63.100 -0.318 0.000 0.777 163 P CB 0.194 31.830 31.700 -0.106 0.000 0.814 164 H N 1.230 120.180 119.070 -0.200 0.000 2.511 164 H HA 0.492 5.049 4.556 0.001 0.000 0.328 164 H C -0.616 174.648 175.328 -0.106 0.000 1.044 164 H CA -0.888 55.090 56.048 -0.117 0.000 1.212 164 H CB 0.816 30.523 29.762 -0.092 0.000 1.428 164 H HN -0.084 nan 8.280 nan 0.000 0.483 165 I N 1.571 121.764 120.570 -0.629 0.000 2.619 165 I HA 0.544 4.715 4.170 0.001 0.000 0.292 165 I C -0.412 175.396 176.117 -0.514 0.000 1.100 165 I CA -1.056 59.923 61.300 -0.534 0.000 1.043 165 I CB 2.417 40.276 38.000 -0.234 0.000 1.239 165 I HN 0.602 nan 8.210 nan 0.000 0.420 166 G N 5.480 114.037 108.800 -0.404 0.000 2.955 166 G HA2 0.626 4.587 3.960 0.001 0.000 0.336 166 G HA3 0.626 4.587 3.960 0.001 0.000 0.336 166 G C -2.703 172.106 174.900 -0.152 0.000 1.264 166 G CA -1.320 43.651 45.100 -0.215 0.000 1.096 166 G HN 0.505 nan 8.290 nan 0.000 0.486 167 P HA 0.246 nan 4.420 nan 0.000 0.274 167 P C -0.761 176.560 177.300 0.035 0.000 1.237 167 P CA -0.410 62.678 63.100 -0.021 0.000 0.793 167 P CB 1.624 33.333 31.700 0.015 0.000 0.977 168 D N 0.045 120.528 120.400 0.137 0.000 2.302 168 D HA 0.324 4.965 4.640 0.001 0.000 0.248 168 D C -0.423 176.018 176.300 0.235 0.000 1.094 168 D CA 0.108 54.232 54.000 0.206 0.000 0.897 168 D CB 0.781 41.761 40.800 0.300 0.000 1.200 168 D HN -0.023 nan 8.370 nan 0.000 0.429 169 V N 3.570 123.637 119.914 0.255 0.000 2.567 169 V HA 0.527 4.648 4.120 0.001 0.000 0.298 169 V C -0.728 175.541 176.094 0.291 0.000 1.047 169 V CA -0.889 61.520 62.300 0.181 0.000 0.880 169 V CB 0.804 32.689 31.823 0.105 0.000 1.009 169 V HN 0.483 nan 8.190 nan 0.000 0.429 170 F N 1.588 121.560 119.950 0.036 0.000 2.641 170 F HA 0.896 5.423 4.527 0.001 0.000 0.308 170 F C 0.306 176.131 175.800 0.042 0.000 1.105 170 F CA -0.967 57.052 58.000 0.032 0.000 0.964 170 F CB 1.366 40.376 39.000 0.016 0.000 1.294 170 F HN 0.618 nan 8.300 nan 0.000 0.442 171 G N 2.643 111.531 108.800 0.147 0.000 2.406 171 G HA2 0.461 4.422 3.960 0.001 0.000 0.251 171 G HA3 0.461 4.422 3.960 0.001 0.000 0.251 171 G C -0.645 174.316 174.900 0.102 0.000 1.271 171 G CA -0.704 44.441 45.100 0.074 0.000 0.859 171 G HN 0.775 nan 8.290 nan 0.000 0.540 172 I N 1.560 122.137 120.570 0.011 0.000 2.342 172 I HA 0.065 4.236 4.170 0.001 0.000 0.291 172 I C -0.124 176.035 176.117 0.070 0.000 1.010 172 I CA -0.622 60.699 61.300 0.035 0.000 1.308 172 I CB 1.545 39.520 38.000 -0.041 0.000 1.400 172 I HN 0.342 nan 8.210 nan 0.000 0.488 173 D N 7.701 128.160 120.400 0.099 0.000 2.367 173 D HA 0.259 4.900 4.640 0.001 0.000 0.255 173 D C -0.679 175.653 176.300 0.053 0.000 1.300 173 D CA -0.042 54.001 54.000 0.072 0.000 0.959 173 D CB 0.217 41.060 40.800 0.072 0.000 1.064 173 D HN 0.672 nan 8.370 nan 0.000 0.509 174 C N 1.632 120.956 119.300 0.040 0.000 3.312 174 C HA 1.033 5.494 4.460 0.001 0.000 0.332 174 C C 0.002 175.007 174.990 0.025 0.000 1.340 174 C CA -0.295 58.740 59.018 0.029 0.000 1.265 174 C CB 1.434 29.184 27.740 0.018 0.000 1.563 174 C HN 0.598 nan 8.230 nan 0.000 0.471 175 G N -0.051 108.761 108.800 0.019 0.000 2.619 175 G HA2 0.785 4.746 3.960 0.001 0.000 0.305 175 G HA3 0.785 4.746 3.960 0.001 0.000 0.305 175 G C -3.545 171.361 174.900 0.011 0.000 1.330 175 G CA -1.075 44.035 45.100 0.017 0.000 0.789 175 G HN 0.611 nan 8.290 nan 0.000 0.487 176 P HA 0.281 nan 4.420 nan 0.000 0.261 176 P C 0.954 178.257 177.300 0.004 0.000 1.183 176 P CA 1.988 65.092 63.100 0.007 0.000 0.761 176 P CB 0.896 32.601 31.700 0.009 0.000 0.785 177 G N 2.145 110.944 108.800 -0.001 0.000 2.234 177 G HA2 -0.183 3.777 3.960 0.001 0.000 0.235 177 G HA3 -0.183 3.777 3.960 0.001 0.000 0.235 177 G C 0.047 174.944 174.900 -0.005 0.000 0.997 177 G CA -0.329 44.769 45.100 -0.004 0.000 0.623 177 G HN 0.489 nan 8.290 nan 0.000 0.514 178 D N 0.351 120.750 120.400 -0.002 0.000 2.362 178 D HA 0.512 5.153 4.640 0.001 0.000 0.242 178 D C 0.721 177.012 176.300 -0.014 0.000 1.132 178 D CA 0.146 54.145 54.000 -0.000 0.000 0.907 178 D CB 0.981 41.785 40.800 0.006 0.000 1.195 178 D HN 0.553 nan 8.370 nan 0.000 0.429 179 R N 1.222 121.716 120.500 -0.010 0.000 2.670 179 R HA 0.555 4.896 4.340 0.001 0.000 0.289 179 R C -1.183 175.111 176.300 -0.010 0.000 0.965 179 R CA -0.662 55.425 56.100 -0.023 0.000 0.899 179 R CB 0.825 31.113 30.300 -0.020 0.000 1.173 179 R HN 0.342 nan 8.270 nan 0.000 0.456 180 L N 4.412 125.612 121.223 -0.038 0.000 2.334 180 L HA 0.578 4.919 4.340 0.001 0.000 0.273 180 L C -0.995 175.876 176.870 0.001 0.000 1.013 180 L CA -1.306 53.526 54.840 -0.014 0.000 0.816 180 L CB 1.816 43.837 42.059 -0.063 0.000 1.278 180 L HN 0.518 nan 8.230 nan 0.000 0.431 181 L N 3.956 125.232 121.223 0.089 0.000 2.376 181 L HA 0.603 4.944 4.340 0.001 0.000 0.275 181 L C -0.920 176.073 176.870 0.206 0.000 0.987 181 L CA -0.009 54.910 54.840 0.132 0.000 0.828 181 L CB 1.480 43.638 42.059 0.166 0.000 1.249 181 L HN 0.374 nan 8.230 nan 0.000 0.409 182 I N 3.696 124.344 120.570 0.129 0.000 2.359 182 I HA 0.609 4.780 4.170 0.001 0.000 0.294 182 I C 0.098 176.321 176.117 0.176 0.000 0.987 182 I CA -0.378 61.002 61.300 0.133 0.000 1.225 182 I CB 1.737 39.777 38.000 0.068 0.000 1.366 182 I HN 0.668 nan 8.210 nan 0.000 0.466 183 S N 3.385 119.226 115.700 0.236 0.000 2.569 183 S HA 0.575 5.046 4.470 0.001 0.000 0.280 183 S C -0.289 174.434 174.600 0.206 0.000 1.111 183 S CA -0.621 57.727 58.200 0.246 0.000 0.887 183 S CB 1.666 65.109 63.200 0.406 0.000 1.095 183 S HN 0.744 nan 8.310 nan 0.000 0.476 184 S N 1.779 117.579 115.700 0.165 0.000 2.608 184 S HA 0.185 4.656 4.470 0.001 0.000 0.261 184 S C 0.826 175.559 174.600 0.221 0.000 1.314 184 S CA 0.181 58.477 58.200 0.160 0.000 0.992 184 S CB 0.405 63.682 63.200 0.128 0.000 0.935 184 S HN 0.838 nan 8.310 nan 0.000 0.564 185 D N 0.085 120.608 120.400 0.204 0.000 2.350 185 D HA -0.007 4.634 4.640 0.001 0.000 0.216 185 D C 1.691 178.152 176.300 0.267 0.000 0.968 185 D CA 1.043 55.193 54.000 0.250 0.000 0.894 185 D CB -1.097 39.809 40.800 0.176 0.000 0.909 185 D HN 0.681 nan 8.370 nan 0.000 0.520 186 G N 0.765 109.679 108.800 0.191 0.000 2.448 186 G HA2 -0.227 3.734 3.960 0.001 0.000 0.219 186 G HA3 -0.227 3.734 3.960 0.001 0.000 0.219 186 G C 1.466 176.410 174.900 0.073 0.000 1.127 186 G CA 0.792 45.971 45.100 0.132 0.000 0.766 186 G HN 0.349 nan 8.290 nan 0.000 0.552 187 L N -0.369 120.869 121.223 0.026 0.000 2.083 187 L HA 0.146 4.486 4.340 0.001 0.000 0.209 187 L C 1.765 178.410 176.870 -0.374 0.000 1.083 187 L CA 1.474 56.170 54.840 -0.241 0.000 0.752 187 L CB -0.464 41.325 42.059 -0.449 0.000 0.899 187 L HN 0.203 nan 8.230 nan 0.000 0.433 188 F N -0.883 119.095 119.950 0.046 0.000 2.660 188 F HA 0.351 4.879 4.527 0.001 0.000 0.302 188 F C 2.079 177.903 175.800 0.040 0.000 1.103 188 F CA 0.335 58.350 58.000 0.024 0.000 1.340 188 F CB -0.892 38.122 39.000 0.023 0.000 1.048 188 F HN 0.105 nan 8.300 nan 0.000 0.551 189 A N 0.487 123.423 122.820 0.193 0.000 1.908 189 A HA 0.037 4.358 4.320 0.001 0.000 0.218 189 A C 2.108 179.836 177.584 0.241 0.000 1.181 189 A CA 2.323 54.493 52.037 0.222 0.000 0.627 189 A CB -0.532 18.574 19.000 0.176 0.000 0.818 189 A HN 0.364 nan 8.150 nan 0.000 0.445 190 A N -3.199 119.737 122.820 0.192 0.000 2.574 190 A HA 0.644 4.965 4.320 0.001 0.000 0.170 190 A C 0.949 178.643 177.584 0.184 0.000 1.617 190 A CA 0.795 52.992 52.037 0.266 0.000 1.189 190 A CB -0.690 18.448 19.000 0.230 0.000 1.496 190 A HN 1.296 nan 8.150 nan 0.000 0.505 191 A N 0.726 123.598 122.820 0.087 0.000 2.407 191 A HA 0.435 4.756 4.320 0.001 0.000 0.248 191 A C -0.052 177.567 177.584 0.058 0.000 1.082 191 A CA 0.050 52.112 52.037 0.042 0.000 0.785 191 A CB -0.027 18.951 19.000 -0.037 0.000 1.020 191 A HN 0.284 nan 8.150 nan 0.000 0.489 192 D N 0.898 121.330 120.400 0.054 0.000 2.472 192 D HA -0.064 4.577 4.640 0.001 0.000 0.248 192 D C 1.160 177.483 176.300 0.039 0.000 1.174 192 D CA 0.478 54.513 54.000 0.059 0.000 0.883 192 D CB 0.574 41.403 40.800 0.047 0.000 1.149 192 D HN 0.707 nan 8.370 nan 0.000 0.488 193 E N 3.059 123.297 120.200 0.064 0.000 2.118 193 E HA -0.257 4.094 4.350 0.001 0.000 0.195 193 E C 1.644 178.265 176.600 0.036 0.000 0.992 193 E CA 1.172 57.614 56.400 0.070 0.000 0.804 193 E CB 0.067 29.825 29.700 0.096 0.000 0.741 193 E HN 0.619 nan 8.360 nan 0.000 0.458 194 A N 0.837 123.676 122.820 0.032 0.000 1.933 194 A HA -0.159 4.162 4.320 0.001 0.000 0.218 194 A C 2.153 179.736 177.584 -0.002 0.000 1.175 194 A CA 1.068 53.116 52.037 0.018 0.000 0.628 194 A CB -0.526 18.488 19.000 0.022 0.000 0.814 194 A HN 0.287 nan 8.150 nan 0.000 0.444 195 L N -0.750 120.468 121.223 -0.008 0.000 2.109 195 L HA -0.113 4.228 4.340 0.001 0.000 0.207 195 L C 2.406 179.243 176.870 -0.055 0.000 1.086 195 L CA 0.865 55.689 54.840 -0.026 0.000 0.760 195 L CB -0.478 41.568 42.059 -0.022 0.000 0.910 195 L HN 0.376 nan 8.230 nan 0.000 0.437 196 I N -0.784 119.741 120.570 -0.076 0.000 2.179 196 I HA -0.262 3.909 4.170 0.001 0.000 0.242 196 I C 2.444 178.498 176.117 -0.104 0.000 1.088 196 I CA 1.104 62.320 61.300 -0.139 0.000 1.357 196 I CB -0.327 37.535 38.000 -0.230 0.000 1.051 196 I HN 0.004 nan 8.210 nan 0.000 0.409 197 V N 0.943 120.823 119.914 -0.056 0.000 2.343 197 V HA -0.324 3.797 4.120 0.001 0.000 0.247 197 V C 2.207 178.274 176.094 -0.044 0.000 1.051 197 V CA 2.356 64.631 62.300 -0.041 0.000 1.036 197 V CB -0.746 31.073 31.823 -0.007 0.000 0.654 197 V HN 0.507 nan 8.190 nan 0.000 0.451 198 D N 0.516 120.893 120.400 -0.039 0.000 2.104 198 D HA -0.186 4.455 4.640 0.001 0.000 0.194 198 D C 2.095 178.369 176.300 -0.045 0.000 0.994 198 D CA 1.698 55.676 54.000 -0.037 0.000 0.830 198 D CB -0.167 40.616 40.800 -0.029 0.000 0.959 198 D HN 0.370 nan 8.370 nan 0.000 0.452 199 A N 0.369 123.156 122.820 -0.056 0.000 1.902 199 A HA 0.079 4.400 4.320 0.001 0.000 0.217 199 A C 2.369 179.916 177.584 -0.061 0.000 1.181 199 A CA 1.969 53.970 52.037 -0.059 0.000 0.623 199 A CB -1.079 17.877 19.000 -0.075 0.000 0.818 199 A HN 0.354 nan 8.150 nan 0.000 0.443 200 A N -0.406 122.370 122.820 -0.072 0.000 2.121 200 A HA 0.001 4.321 4.320 0.001 0.000 0.218 200 A C 2.067 179.623 177.584 -0.047 0.000 1.154 200 A CA 2.026 54.023 52.037 -0.066 0.000 0.679 200 A CB -0.928 18.022 19.000 -0.083 0.000 0.795 200 A HN 0.756 nan 8.150 nan 0.000 0.458 201 T N -2.777 111.750 114.554 -0.045 0.000 3.105 201 T HA 0.215 4.566 4.350 0.001 0.000 0.253 201 T C 0.501 175.180 174.700 -0.036 0.000 1.047 201 T CA 0.307 62.383 62.100 -0.040 0.000 0.944 201 T CB -0.306 68.534 68.868 -0.046 0.000 1.016 201 T HN 0.143 nan 8.240 nan 0.000 0.544 202 S N 4.118 119.797 115.700 -0.035 0.000 2.575 202 S HA 0.112 4.583 4.470 0.001 0.000 0.295 202 S C -1.352 173.232 174.600 -0.027 0.000 1.267 202 S CA -0.796 57.386 58.200 -0.030 0.000 1.074 202 S CB 0.982 64.165 63.200 -0.029 0.000 0.829 202 S HN 0.270 nan 8.310 nan 0.000 0.497 203 P HA -0.114 nan 4.420 nan 0.000 0.216 203 P C 0.282 177.570 177.300 -0.019 0.000 1.153 203 P CA 1.046 64.134 63.100 -0.021 0.000 0.858 203 P CB 0.086 31.775 31.700 -0.019 0.000 0.789 204 D N -1.132 119.258 120.400 -0.017 0.000 2.325 204 D HA 0.049 4.690 4.640 0.001 0.000 0.251 204 D C -1.595 174.695 176.300 -0.017 0.000 1.196 204 D CA -2.391 51.600 54.000 -0.015 0.000 0.866 204 D CB 0.719 41.512 40.800 -0.012 0.000 1.101 204 D HN -0.024 nan 8.370 nan 0.000 0.476 205 P HA -0.179 nan 4.420 nan 0.000 0.219 205 P C 1.131 178.422 177.300 -0.015 0.000 1.146 205 P CA 0.983 64.070 63.100 -0.021 0.000 0.808 205 P CB 0.357 32.042 31.700 -0.026 0.000 0.779 206 Q N -0.036 119.759 119.800 -0.009 0.000 2.167 206 Q HA -0.088 4.253 4.340 0.001 0.000 0.202 206 Q C 1.887 177.882 176.000 -0.009 0.000 0.970 206 Q CA 1.414 57.214 55.803 -0.005 0.000 0.855 206 Q CB -1.191 27.546 28.738 -0.001 0.000 0.911 206 Q HN 0.030 nan 8.270 nan 0.000 0.438 207 V N 0.356 120.263 119.914 -0.013 0.000 2.379 207 V HA -0.171 3.950 4.120 0.001 0.000 0.245 207 V C 2.241 178.322 176.094 -0.021 0.000 1.044 207 V CA 1.495 63.785 62.300 -0.016 0.000 1.036 207 V CB -1.190 30.623 31.823 -0.016 0.000 0.664 207 V HN 0.477 nan 8.190 nan 0.000 0.453 208 A N 0.877 123.682 122.820 -0.024 0.000 1.883 208 A HA -0.200 4.121 4.320 0.001 0.000 0.217 208 A C 2.409 179.973 177.584 -0.033 0.000 1.186 208 A CA 2.590 54.608 52.037 -0.032 0.000 0.624 208 A CB -0.899 18.082 19.000 -0.033 0.000 0.822 208 A HN 0.636 nan 8.150 nan 0.000 0.444 209 V N -2.072 117.828 119.914 -0.024 0.000 2.427 209 V HA -0.215 3.906 4.120 0.001 0.000 0.248 209 V C 2.238 178.318 176.094 -0.023 0.000 1.051 209 V CA 2.051 64.339 62.300 -0.021 0.000 1.048 209 V CB -1.005 30.814 31.823 -0.007 0.000 0.666 209 V HN 0.507 nan 8.190 nan 0.000 0.456 210 R N 0.272 120.760 120.500 -0.020 0.000 2.075 210 R HA 0.008 4.348 4.340 0.001 0.000 0.232 210 R C 2.683 178.966 176.300 -0.028 0.000 1.126 210 R CA 1.793 57.881 56.100 -0.019 0.000 0.963 210 R CB -0.381 29.910 30.300 -0.015 0.000 0.858 210 R HN 0.487 nan 8.270 nan 0.000 0.435 211 R N 0.493 120.974 120.500 -0.032 0.000 2.092 211 R HA -0.066 4.275 4.340 0.001 0.000 0.231 211 R C 2.314 178.581 176.300 -0.055 0.000 1.119 211 R CA 1.047 57.124 56.100 -0.039 0.000 0.970 211 R CB -0.334 29.944 30.300 -0.038 0.000 0.864 211 R HN 0.198 nan 8.270 nan 0.000 0.440 212 L N 0.039 121.223 121.223 -0.066 0.000 2.046 212 L HA -0.180 4.161 4.340 0.001 0.000 0.208 212 L C 2.376 179.193 176.870 -0.090 0.000 1.077 212 L CA 1.045 55.827 54.840 -0.098 0.000 0.747 212 L CB -0.416 41.580 42.059 -0.105 0.000 0.896 212 L HN 0.017 nan 8.230 nan 0.000 0.432 213 V N -0.223 119.655 119.914 -0.059 0.000 2.343 213 V HA -0.274 3.847 4.120 0.001 0.000 0.247 213 V C 2.374 178.444 176.094 -0.041 0.000 1.051 213 V CA 1.785 64.058 62.300 -0.044 0.000 1.036 213 V CB -0.423 31.385 31.823 -0.025 0.000 0.654 213 V HN 0.460 nan 8.190 nan 0.000 0.451 214 E N -0.346 119.831 120.200 -0.038 0.000 2.077 214 E HA -0.181 4.170 4.350 0.001 0.000 0.193 214 E C 2.261 178.839 176.600 -0.037 0.000 0.989 214 E CA 1.455 57.836 56.400 -0.031 0.000 0.800 214 E CB -0.207 29.477 29.700 -0.027 0.000 0.746 214 E HN 0.438 nan 8.360 nan 0.000 0.452 215 V N 1.345 121.227 119.914 -0.053 0.000 2.295 215 V HA -0.289 3.832 4.120 0.001 0.000 0.246 215 V C 2.319 178.378 176.094 -0.059 0.000 1.049 215 V CA 1.908 64.173 62.300 -0.059 0.000 1.024 215 V CB -0.680 31.092 31.823 -0.085 0.000 0.648 215 V HN 0.331 nan 8.190 nan 0.000 0.447 216 A N 0.265 123.039 122.820 -0.076 0.000 1.902 216 A HA -0.231 4.090 4.320 0.001 0.000 0.217 216 A C 2.060 179.628 177.584 -0.025 0.000 1.181 216 A CA 2.104 54.104 52.037 -0.061 0.000 0.623 216 A CB -0.651 18.305 19.000 -0.073 0.000 0.818 216 A HN 0.593 nan 8.150 nan 0.000 0.443 217 N N -0.028 118.658 118.700 -0.023 0.000 2.142 217 N HA -0.128 4.613 4.740 0.001 0.000 0.186 217 N C 1.374 176.880 175.510 -0.007 0.000 1.023 217 N CA 1.559 54.602 53.050 -0.011 0.000 0.852 217 N CB -0.493 37.987 38.487 -0.012 0.000 0.998 217 N HN 0.554 nan 8.380 nan 0.000 0.424 218 D N 0.421 120.815 120.400 -0.011 0.000 2.219 218 D HA 0.028 4.669 4.640 0.001 0.000 0.205 218 D C 1.399 177.699 176.300 0.001 0.000 0.970 218 D CA 0.664 54.660 54.000 -0.006 0.000 0.851 218 D CB -0.043 40.751 40.800 -0.010 0.000 0.943 218 D HN 0.230 nan 8.370 nan 0.000 0.488 219 A N -1.214 121.608 122.820 0.004 0.000 2.206 219 A HA 0.432 4.753 4.320 0.001 0.000 0.211 219 A C 1.821 179.422 177.584 0.029 0.000 1.158 219 A CA 1.281 53.331 52.037 0.021 0.000 0.761 219 A CB -0.085 18.931 19.000 0.027 0.000 0.801 219 A HN 0.397 nan 8.150 nan 0.000 0.473 220 G N -3.063 105.748 108.800 0.018 0.000 2.813 220 G HA2 0.249 4.210 3.960 0.001 0.000 0.194 220 G HA3 0.249 4.210 3.960 0.001 0.000 0.194 220 G C 1.265 176.173 174.900 0.013 0.000 1.010 220 G CA 0.543 45.653 45.100 0.017 0.000 0.771 220 G HN 1.870 nan 8.290 nan 0.000 0.485 221 G N 0.502 109.311 108.800 0.014 0.000 2.305 221 G HA2 -0.031 3.930 3.960 0.001 0.000 0.287 221 G HA3 -0.031 3.930 3.960 0.001 0.000 0.287 221 G C 1.442 176.350 174.900 0.013 0.000 1.036 221 G CA 1.826 46.932 45.100 0.010 0.000 0.887 221 G HN 2.134 nan 8.290 nan 0.000 0.505 222 S N -1.769 113.943 115.700 0.021 0.000 2.442 222 S HA 0.100 4.571 4.470 0.001 0.000 0.236 222 S C 0.807 175.412 174.600 0.009 0.000 1.007 222 S CA 1.381 59.590 58.200 0.014 0.000 0.965 222 S CB 0.456 63.668 63.200 0.020 0.000 0.773 222 S HN 0.630 nan 8.310 nan 0.000 0.504 223 D N 0.580 120.993 120.400 0.023 0.000 2.493 223 D HA 0.388 5.029 4.640 0.001 0.000 0.239 223 D C -1.272 175.047 176.300 0.032 0.000 1.049 223 D CA -0.971 53.047 54.000 0.030 0.000 1.008 223 D CB 1.188 42.020 40.800 0.054 0.000 1.398 223 D HN 0.231 nan 8.370 nan 0.000 0.513 224 N N -0.155 118.568 118.700 0.038 0.000 2.407 224 N HA 0.226 4.967 4.740 0.001 0.000 0.250 224 N C -0.691 174.847 175.510 0.047 0.000 1.236 224 N CA 0.436 53.509 53.050 0.038 0.000 0.879 224 N CB 0.572 39.086 38.487 0.045 0.000 1.088 224 N HN 0.162 nan 8.380 nan 0.000 0.450 225 T N 1.381 115.955 114.554 0.033 0.000 2.848 225 T HA 0.432 4.783 4.350 0.001 0.000 0.285 225 T C -0.575 174.144 174.700 0.031 0.000 0.995 225 T CA -0.521 61.598 62.100 0.032 0.000 0.970 225 T CB 1.505 70.374 68.868 0.001 0.000 0.976 225 T HN 0.330 nan 8.240 nan 0.000 0.441 226 T N 2.502 117.084 114.554 0.047 0.000 2.916 226 T HA 0.701 5.052 4.350 0.001 0.000 0.298 226 T C -0.667 174.067 174.700 0.057 0.000 1.031 226 T CA -0.737 61.392 62.100 0.048 0.000 0.993 226 T CB 1.420 70.323 68.868 0.058 0.000 1.045 226 T HN 0.642 nan 8.240 nan 0.000 0.454 227 V N 0.110 120.051 119.914 0.044 0.000 2.888 227 V HA 0.953 5.074 4.120 0.001 0.000 0.309 227 V C -1.097 175.025 176.094 0.046 0.000 1.114 227 V CA -0.938 61.391 62.300 0.049 0.000 0.940 227 V CB 1.913 33.746 31.823 0.016 0.000 1.021 227 V HN 0.638 nan 8.190 nan 0.000 0.426 228 V N 3.796 123.742 119.914 0.054 0.000 2.525 228 V HA 0.621 4.742 4.120 0.001 0.000 0.299 228 V C -0.387 175.707 176.094 0.001 0.000 1.034 228 V CA -0.470 61.856 62.300 0.044 0.000 0.863 228 V CB 1.825 33.696 31.823 0.080 0.000 0.999 228 V HN 0.823 nan 8.190 nan 0.000 0.423 229 V N 6.452 126.348 119.914 -0.031 0.000 2.495 229 V HA 0.586 4.707 4.120 0.001 0.000 0.298 229 V C -0.443 175.566 176.094 -0.142 0.000 1.031 229 V CA -0.408 61.853 62.300 -0.064 0.000 0.871 229 V CB 1.892 33.691 31.823 -0.039 0.000 0.988 229 V HN 0.732 nan 8.190 nan 0.000 0.432 230 I N 3.775 124.230 120.570 -0.190 0.000 2.447 230 I HA 0.435 4.606 4.170 0.001 0.000 0.287 230 I C -0.868 175.150 176.117 -0.165 0.000 1.023 230 I CA -0.445 60.682 61.300 -0.289 0.000 1.083 230 I CB 1.925 39.621 38.000 -0.507 0.000 1.245 230 I HN 0.439 nan 8.210 nan 0.000 0.434 231 D N 7.179 127.506 120.400 -0.122 0.000 2.198 231 D HA 0.525 5.166 4.640 0.001 0.000 0.245 231 D C -0.421 175.840 176.300 -0.066 0.000 1.079 231 D CA -0.118 53.837 54.000 -0.074 0.000 0.854 231 D CB 1.949 42.720 40.800 -0.048 0.000 1.148 231 D HN 0.280 nan 8.370 nan 0.000 0.456 232 L N 1.308 122.502 121.223 -0.048 0.000 2.322 232 L HA 0.731 5.072 4.340 0.001 0.000 0.279 232 L C 1.020 177.882 176.870 -0.014 0.000 1.036 232 L CA -0.645 54.176 54.840 -0.032 0.000 0.807 232 L CB 1.858 43.900 42.059 -0.028 0.000 1.226 232 L HN 0.322 nan 8.230 nan 0.000 0.433 233 G N 0.000 108.797 108.800 -0.005 0.000 5.446 233 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 233 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 233 G CA 0.000 45.101 45.100 0.002 0.000 0.502 233 G HN 0.000 nan 8.290 nan 0.000 0.925