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 3cdk_1_C DATA FIRST_RESID 3 DATA SEQUENCE MGKVLSSSKE AAKLIHDGDT LIAGGFGLCG IPEQLILSIR DQGVKDLTVV DATA SEQUENCE SNNCGVDDWG LGLLLANKQI KKMIASYVGE NKIFERQFLS GELEVELVPQ DATA SEQUENCE GTLAERIRAG GAGIPGFYTA TGVGTSIAEG KEHKTFGGRT YVLERGITGD DATA SEQUENCE VAIVKAWKAD TMGNLIFRKT ARNFNPIAAM AGKITIAEAE EIVEAGELDP DATA SEQUENCE DHIHTPGIYV QHVVLGASQE KRIEKRTVQ 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 3 M HA 0.000 nan 4.480 nan 0.000 0.227 3 M C 0.000 176.299 176.300 -0.002 0.000 1.140 3 M CA 0.000 55.295 55.300 -0.008 0.000 0.988 3 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 4 G N 1.810 110.606 108.800 -0.007 0.000 2.670 4 G HA2 0.075 4.036 3.960 0.001 0.000 0.219 4 G HA3 0.075 4.036 3.960 0.001 0.000 0.219 4 G C 0.825 175.728 174.900 0.005 0.000 1.342 4 G CA 0.239 45.336 45.100 -0.006 0.000 0.902 4 G HN 0.653 nan 8.290 nan 0.000 0.553 5 K N -0.089 120.308 120.400 -0.004 0.000 2.418 5 K HA 0.187 4.508 4.320 0.001 0.000 0.195 5 K C 0.443 177.086 176.600 0.071 0.000 1.035 5 K CA -0.288 56.001 56.287 0.003 0.000 1.003 5 K CB 0.323 32.795 32.500 -0.047 0.000 0.793 5 K HN 0.094 nan 8.250 nan 0.000 0.494 6 V N 2.987 122.928 119.914 0.046 0.000 2.540 6 V HA -0.030 4.091 4.120 0.001 0.000 0.297 6 V C 0.354 176.485 176.094 0.063 0.000 1.024 6 V CA 0.411 62.740 62.300 0.048 0.000 1.105 6 V CB 0.187 32.022 31.823 0.020 0.000 0.938 6 V HN 0.164 nan 8.190 nan 0.000 0.482 7 L N 4.205 125.467 121.223 0.065 0.000 2.352 7 L HA 0.349 4.689 4.340 0.001 0.000 0.269 7 L C 1.575 178.458 176.870 0.021 0.000 1.034 7 L CA -0.245 54.620 54.840 0.041 0.000 0.806 7 L CB 1.978 44.049 42.059 0.020 0.000 1.244 7 L HN 0.818 nan 8.230 nan 0.000 0.447 8 S N -0.154 115.553 115.700 0.011 0.000 2.368 8 S HA -0.056 4.414 4.470 0.001 0.000 0.224 8 S C 0.657 175.261 174.600 0.007 0.000 1.029 8 S CA 0.649 58.854 58.200 0.008 0.000 0.988 8 S CB -0.169 63.034 63.200 0.005 0.000 0.838 8 S HN 0.729 nan 8.310 nan 0.000 0.462 9 S N -1.116 114.585 115.700 0.002 0.000 2.579 9 S HA 0.610 5.081 4.470 0.001 0.000 0.272 9 S C 0.443 175.041 174.600 -0.004 0.000 1.141 9 S CA -0.321 57.880 58.200 0.002 0.000 0.843 9 S CB 1.415 64.614 63.200 -0.001 0.000 1.122 9 S HN 0.002 nan 8.310 nan 0.000 0.468 10 S N 1.159 116.860 115.700 0.001 0.000 2.370 10 S HA -0.161 4.310 4.470 0.001 0.000 0.226 10 S C 1.873 176.463 174.600 -0.016 0.000 1.033 10 S CA 1.769 59.967 58.200 -0.004 0.000 1.011 10 S CB -0.585 62.615 63.200 0.001 0.000 0.852 10 S HN 0.813 nan 8.310 nan 0.000 0.457 11 K N 1.466 121.857 120.400 -0.015 0.000 2.009 11 K HA -0.222 4.099 4.320 0.001 0.000 0.210 11 K C 2.085 178.667 176.600 -0.031 0.000 1.049 11 K CA 1.981 58.255 56.287 -0.021 0.000 0.929 11 K CB -0.381 32.110 32.500 -0.015 0.000 0.714 11 K HN 0.417 nan 8.250 nan 0.000 0.440 12 E N -0.105 120.076 120.200 -0.031 0.000 2.130 12 E HA -0.224 4.127 4.350 0.001 0.000 0.196 12 E C 1.706 178.264 176.600 -0.070 0.000 0.998 12 E CA 1.363 57.737 56.400 -0.044 0.000 0.806 12 E CB -0.158 29.519 29.700 -0.039 0.000 0.738 12 E HN 0.510 nan 8.360 nan 0.000 0.459 13 A N 0.669 123.449 122.820 -0.067 0.000 1.930 13 A HA 0.127 4.448 4.320 0.001 0.000 0.215 13 A C 2.354 179.903 177.584 -0.059 0.000 1.176 13 A CA 1.188 53.172 52.037 -0.089 0.000 0.632 13 A CB -0.543 18.424 19.000 -0.055 0.000 0.819 13 A HN 0.393 nan 8.150 nan 0.000 0.445 14 A N 0.471 123.267 122.820 -0.041 0.000 1.933 14 A HA -0.165 4.155 4.320 0.001 0.000 0.218 14 A C 1.944 179.507 177.584 -0.035 0.000 1.175 14 A CA 1.678 53.696 52.037 -0.032 0.000 0.628 14 A CB -0.493 18.487 19.000 -0.034 0.000 0.814 14 A HN 0.528 nan 8.150 nan 0.000 0.444 15 K N -0.467 119.905 120.400 -0.048 0.000 2.442 15 K HA -0.058 4.263 4.320 0.001 0.000 0.200 15 K C 0.837 177.418 176.600 -0.032 0.000 1.045 15 K CA 0.807 57.058 56.287 -0.061 0.000 0.937 15 K CB -0.342 32.125 32.500 -0.055 0.000 0.757 15 K HN 0.490 nan 8.250 nan 0.000 0.474 16 L N 0.935 122.167 121.223 0.014 0.000 2.628 16 L HA 0.214 4.555 4.340 0.001 0.000 0.229 16 L C 0.298 177.301 176.870 0.221 0.000 1.137 16 L CA -0.093 54.814 54.840 0.111 0.000 0.909 16 L CB 0.191 42.259 42.059 0.014 0.000 1.137 16 L HN 0.053 nan 8.230 nan 0.000 0.470 17 I N -1.103 119.573 120.570 0.177 0.000 2.433 17 I HA 0.319 4.489 4.170 0.001 0.000 0.292 17 I C -0.342 175.890 176.117 0.191 0.000 1.001 17 I CA -0.545 60.868 61.300 0.189 0.000 1.119 17 I CB 1.626 39.664 38.000 0.063 0.000 1.289 17 I HN 0.045 nan 8.210 nan 0.000 0.438 18 H N 3.411 122.475 119.070 -0.009 0.000 2.679 18 H HA 0.257 4.814 4.556 0.001 0.000 0.367 18 H C -1.069 174.253 175.328 -0.009 0.000 1.162 18 H CA -1.160 54.884 56.048 -0.008 0.000 1.181 18 H CB 2.239 31.999 29.762 -0.003 0.000 1.693 18 H HN 0.472 nan 8.280 nan 0.000 0.538 19 D N 0.690 121.142 120.400 0.087 0.000 2.583 19 D HA 0.022 4.663 4.640 0.001 0.000 0.232 19 D C 1.392 177.723 176.300 0.051 0.000 1.128 19 D CA 1.696 55.722 54.000 0.044 0.000 0.859 19 D CB 0.472 41.286 40.800 0.023 0.000 1.169 19 D HN 0.945 nan 8.370 nan 0.000 0.481 20 G N 2.025 110.842 108.800 0.028 0.000 2.148 20 G HA2 -0.265 3.695 3.960 0.001 0.000 0.254 20 G HA3 -0.265 3.695 3.960 0.001 0.000 0.254 20 G C 0.027 174.940 174.900 0.021 0.000 0.981 20 G CA 0.069 45.181 45.100 0.021 0.000 0.670 20 G HN 0.522 nan 8.290 nan 0.000 0.528 21 D N 0.597 121.015 120.400 0.030 0.000 2.357 21 D HA 0.509 5.150 4.640 0.001 0.000 0.242 21 D C 0.780 177.086 176.300 0.010 0.000 1.153 21 D CA 0.522 54.536 54.000 0.022 0.000 0.918 21 D CB 0.647 41.468 40.800 0.035 0.000 1.181 21 D HN 0.053 nan 8.370 nan 0.000 0.435 22 T N 1.373 115.932 114.554 0.008 0.000 2.780 22 T HA 0.422 4.773 4.350 0.001 0.000 0.294 22 T C -0.267 174.436 174.700 0.005 0.000 0.949 22 T CA -0.436 61.667 62.100 0.004 0.000 1.074 22 T CB 0.335 69.207 68.868 0.007 0.000 0.910 22 T HN 0.145 nan 8.240 nan 0.000 0.501 23 L N 5.268 126.490 121.223 -0.003 0.000 2.356 23 L HA 0.678 5.019 4.340 0.001 0.000 0.277 23 L C -1.255 175.610 176.870 -0.009 0.000 0.996 23 L CA -0.561 54.277 54.840 -0.003 0.000 0.822 23 L CB 1.006 43.057 42.059 -0.012 0.000 1.256 23 L HN 0.605 nan 8.230 nan 0.000 0.413 24 I N 4.954 125.525 120.570 0.001 0.000 2.404 24 I HA 0.745 4.916 4.170 0.001 0.000 0.293 24 I C -0.200 175.917 176.117 0.001 0.000 0.992 24 I CA -0.637 60.664 61.300 0.002 0.000 1.149 24 I CB 1.830 39.840 38.000 0.017 0.000 1.315 24 I HN 0.780 nan 8.210 nan 0.000 0.446 25 A N 4.521 127.331 122.820 -0.017 0.000 2.343 25 A HA 0.781 5.102 4.320 0.001 0.000 0.308 25 A C 0.046 177.623 177.584 -0.012 0.000 1.092 25 A CA -0.539 51.487 52.037 -0.019 0.000 0.751 25 A CB 1.263 20.232 19.000 -0.051 0.000 1.203 25 A HN 0.808 nan 8.150 nan 0.000 0.452 26 G N 0.268 109.086 108.800 0.029 0.000 2.634 26 G HA2 0.645 4.605 3.960 0.001 0.000 0.255 26 G HA3 0.645 4.605 3.960 0.001 0.000 0.255 26 G C 0.521 175.446 174.900 0.041 0.000 1.205 26 G CA 0.281 45.419 45.100 0.063 0.000 0.884 26 G HN 2.263 nan 8.290 nan 0.000 0.549 27 G N -1.769 107.088 108.800 0.094 0.000 2.528 27 G HA2 0.369 4.330 3.960 0.001 0.000 0.681 27 G HA3 0.369 4.330 3.960 0.001 0.000 0.681 27 G C -1.203 173.796 174.900 0.165 0.000 1.340 27 G CA -0.501 44.664 45.100 0.108 0.000 0.855 27 G HN 1.267 nan 8.290 nan 0.000 0.649 28 F N 3.015 122.990 119.950 0.041 0.000 2.445 28 F HA 0.605 5.132 4.527 0.001 0.000 0.348 28 F C 1.098 176.917 175.800 0.033 0.000 1.125 28 F CA 1.343 59.366 58.000 0.038 0.000 0.983 28 F CB 1.220 40.272 39.000 0.086 0.000 1.198 28 F HN 2.154 nan 8.300 nan 0.000 0.436 29 G N 5.127 113.738 108.800 -0.316 0.000 2.602 29 G HA2 -0.332 3.628 3.960 0.001 0.000 0.310 29 G HA3 -0.332 3.628 3.960 0.001 0.000 0.310 29 G C 0.410 175.313 174.900 0.004 0.000 1.183 29 G CA 0.452 45.449 45.100 -0.172 0.000 0.979 29 G HN 0.743 nan 8.290 nan 0.000 0.545 30 L N 0.420 121.691 121.223 0.081 0.000 2.818 30 L HA 0.348 4.689 4.340 0.001 0.000 0.243 30 L C 0.900 177.866 176.870 0.161 0.000 1.185 30 L CA -0.327 54.602 54.840 0.148 0.000 0.988 30 L CB 0.637 42.818 42.059 0.204 0.000 1.292 30 L HN 0.517 nan 8.230 nan 0.000 0.519 31 C N 1.024 120.421 119.300 0.161 0.000 2.273 31 C HA 0.590 5.050 4.460 0.001 0.000 0.328 31 C C 1.560 176.646 174.990 0.159 0.000 1.275 31 C CA 0.095 59.214 59.018 0.167 0.000 1.704 31 C CB -0.497 27.360 27.740 0.196 0.000 2.326 31 C HN 0.823 nan 8.230 nan 0.000 0.517 32 G N 6.000 114.887 108.800 0.144 0.000 2.295 32 G HA2 -0.222 3.739 3.960 0.001 0.000 0.287 32 G HA3 -0.222 3.739 3.960 0.001 0.000 0.287 32 G C -0.235 174.741 174.900 0.126 0.000 1.055 32 G CA 0.695 45.882 45.100 0.146 0.000 0.922 32 G HN 1.241 nan 8.290 nan 0.000 0.503 33 I N -2.163 118.472 120.570 0.108 0.000 2.488 33 I HA 0.652 4.822 4.170 0.001 0.000 0.299 33 I C -1.977 174.168 176.117 0.046 0.000 0.984 33 I CA -3.348 57.984 61.300 0.054 0.000 1.250 33 I CB 1.748 39.747 38.000 -0.001 0.000 1.389 33 I HN -0.101 nan 8.210 nan 0.000 0.488 34 P HA 0.083 nan 4.420 nan 0.000 0.231 34 P C 0.419 177.681 177.300 -0.063 0.000 1.811 34 P CA -0.191 62.917 63.100 0.014 0.000 1.051 34 P CB 0.139 31.853 31.700 0.022 0.000 1.951 35 E N 2.318 122.472 120.200 -0.077 0.000 2.065 35 E HA -0.267 4.083 4.350 0.001 0.000 0.201 35 E C 1.054 177.534 176.600 -0.199 0.000 1.016 35 E CA 1.339 57.598 56.400 -0.234 0.000 0.818 35 E CB -0.706 28.968 29.700 -0.044 0.000 0.749 35 E HN 0.388 nan 8.360 nan 0.000 0.453 36 Q N 0.352 120.123 119.800 -0.047 0.000 1.990 36 Q HA -0.109 4.231 4.340 0.001 0.000 0.200 36 Q C 2.499 178.472 176.000 -0.046 0.000 0.980 36 Q CA 0.847 56.637 55.803 -0.021 0.000 0.832 36 Q CB -0.442 28.313 28.738 0.029 0.000 0.897 36 Q HN 0.232 nan 8.270 nan 0.000 0.427 37 L N 1.025 122.229 121.223 -0.032 0.000 2.010 37 L HA -0.241 4.100 4.340 0.001 0.000 0.219 37 L C 2.398 179.226 176.870 -0.070 0.000 1.077 37 L CA 1.662 56.481 54.840 -0.035 0.000 0.773 37 L CB -1.147 40.903 42.059 -0.015 0.000 0.892 37 L HN 0.219 nan 8.230 nan 0.000 0.436 38 I N -1.792 118.707 120.570 -0.118 0.000 2.179 38 I HA -0.325 3.846 4.170 0.001 0.000 0.242 38 I C 2.299 178.322 176.117 -0.157 0.000 1.088 38 I CA 0.637 61.842 61.300 -0.158 0.000 1.357 38 I CB -0.358 37.496 38.000 -0.245 0.000 1.051 38 I HN 0.187 nan 8.210 nan 0.000 0.409 39 L N 0.757 121.875 121.223 -0.176 0.000 2.013 39 L HA -0.255 4.086 4.340 0.001 0.000 0.212 39 L C 2.803 179.636 176.870 -0.061 0.000 1.073 39 L CA 2.394 57.165 54.840 -0.115 0.000 0.753 39 L CB -1.191 40.827 42.059 -0.069 0.000 0.890 39 L HN 0.410 nan 8.230 nan 0.000 0.432 40 S N -1.940 113.730 115.700 -0.051 0.000 2.461 40 S HA 0.001 4.472 4.470 0.001 0.000 0.228 40 S C 2.001 176.578 174.600 -0.039 0.000 1.005 40 S CA 0.490 58.669 58.200 -0.034 0.000 0.942 40 S CB -0.506 62.679 63.200 -0.024 0.000 0.776 40 S HN 0.401 nan 8.310 nan 0.000 0.514 41 I N 1.163 121.703 120.570 -0.049 0.000 2.406 41 I HA -0.020 4.151 4.170 0.001 0.000 0.249 41 I C 3.080 179.168 176.117 -0.047 0.000 1.122 41 I CA 0.620 61.892 61.300 -0.047 0.000 1.431 41 I CB -0.236 37.734 38.000 -0.050 0.000 1.087 41 I HN 0.233 nan 8.210 nan 0.000 0.424 42 R N 1.229 121.696 120.500 -0.055 0.000 2.081 42 R HA -0.200 4.141 4.340 0.001 0.000 0.235 42 R C 1.425 177.706 176.300 -0.032 0.000 1.131 42 R CA 1.975 58.047 56.100 -0.046 0.000 0.960 42 R CB -0.445 29.824 30.300 -0.052 0.000 0.856 42 R HN 0.290 nan 8.270 nan 0.000 0.436 43 D N -0.088 120.295 120.400 -0.028 0.000 2.269 43 D HA -0.078 4.562 4.640 0.001 0.000 0.208 43 D C 1.712 177.998 176.300 -0.024 0.000 0.963 43 D CA 0.610 54.598 54.000 -0.020 0.000 0.864 43 D CB 0.023 40.815 40.800 -0.013 0.000 0.936 43 D HN 0.264 nan 8.370 nan 0.000 0.505 44 Q N -0.387 119.395 119.800 -0.031 0.000 2.378 44 Q HA 0.014 4.354 4.340 0.001 0.000 0.205 44 Q C 1.044 177.023 176.000 -0.036 0.000 0.954 44 Q CA 0.744 56.526 55.803 -0.036 0.000 0.901 44 Q CB 0.214 28.926 28.738 -0.043 0.000 0.981 44 Q HN 0.326 nan 8.270 nan 0.000 0.483 45 G N 1.206 109.987 108.800 -0.032 0.000 2.187 45 G HA2 -0.282 3.679 3.960 0.001 0.000 0.261 45 G HA3 -0.282 3.679 3.960 0.001 0.000 0.261 45 G C 0.184 175.065 174.900 -0.032 0.000 1.000 45 G CA 0.529 45.611 45.100 -0.030 0.000 0.718 45 G HN 0.377 nan 8.290 nan 0.000 0.519 46 V N 0.630 120.523 119.914 -0.036 0.000 2.694 46 V HA 0.496 4.617 4.120 0.001 0.000 0.306 46 V C 0.879 176.958 176.094 -0.024 0.000 1.054 46 V CA 1.100 63.380 62.300 -0.033 0.000 1.161 46 V CB 0.600 32.403 31.823 -0.033 0.000 0.916 46 V HN 0.739 nan 8.190 nan 0.000 0.490 47 K N 3.492 123.881 120.400 -0.017 0.000 2.246 47 K HA 0.527 4.848 4.320 0.001 0.000 0.239 47 K C -0.083 176.512 176.600 -0.008 0.000 1.089 47 K CA -0.529 55.749 56.287 -0.015 0.000 0.892 47 K CB 0.735 33.226 32.500 -0.014 0.000 1.334 47 K HN 0.464 nan 8.250 nan 0.000 0.507 48 D N 0.081 120.475 120.400 -0.010 0.000 2.751 48 D HA -0.147 4.494 4.640 0.001 0.000 0.233 48 D C -0.756 175.540 176.300 -0.006 0.000 1.149 48 D CA 0.735 54.731 54.000 -0.007 0.000 0.682 48 D CB -0.710 40.090 40.800 -0.000 0.000 1.068 48 D HN 0.219 nan 8.370 nan 0.000 0.429 49 L N 0.412 121.626 121.223 -0.014 0.000 2.397 49 L HA 0.203 4.543 4.340 0.001 0.000 0.271 49 L C 1.133 177.990 176.870 -0.021 0.000 1.148 49 L CA 0.536 55.367 54.840 -0.016 0.000 0.825 49 L CB 1.139 43.182 42.059 -0.026 0.000 1.117 49 L HN -0.172 nan 8.230 nan 0.000 0.456 50 T N 3.252 117.797 114.554 -0.015 0.000 2.832 50 T HA 0.412 4.763 4.350 0.001 0.000 0.313 50 T C -0.331 174.353 174.700 -0.026 0.000 1.035 50 T CA -0.354 61.736 62.100 -0.017 0.000 0.950 50 T CB 0.539 69.404 68.868 -0.004 0.000 0.984 50 T HN 0.444 nan 8.240 nan 0.000 0.486 51 V N 3.837 123.722 119.914 -0.048 0.000 2.472 51 V HA 0.847 4.968 4.120 0.001 0.000 0.290 51 V C -0.174 175.885 176.094 -0.058 0.000 1.037 51 V CA -0.682 61.583 62.300 -0.059 0.000 0.908 51 V CB 1.502 33.275 31.823 -0.084 0.000 0.985 51 V HN 0.554 nan 8.190 nan 0.000 0.454 52 V N 5.050 124.935 119.914 -0.047 0.000 2.487 52 V HA 0.924 5.044 4.120 0.001 0.000 0.298 52 V C -0.460 175.588 176.094 -0.077 0.000 1.028 52 V CA 0.715 62.987 62.300 -0.046 0.000 0.860 52 V CB 1.384 33.201 31.823 -0.011 0.000 0.991 52 V HN 1.479 nan 8.190 nan 0.000 0.427 53 S N 4.287 119.909 115.700 -0.130 0.000 2.580 53 S HA 0.271 4.742 4.470 0.001 0.000 0.281 53 S C 0.564 174.983 174.600 -0.302 0.000 1.129 53 S CA -0.056 58.011 58.200 -0.222 0.000 0.862 53 S CB 1.689 64.788 63.200 -0.168 0.000 1.090 53 S HN 1.046 nan 8.310 nan 0.000 0.451 54 N N 2.080 120.434 118.700 -0.577 0.000 2.060 54 N HA -0.158 4.583 4.740 0.001 0.000 0.195 54 N C 0.186 175.573 175.510 -0.206 0.000 1.028 54 N CA 1.769 54.506 53.050 -0.521 0.000 0.861 54 N CB -0.110 37.962 38.487 -0.691 0.000 1.029 54 N HN 0.658 nan 8.380 nan 0.000 0.428 55 N N -1.692 116.898 118.700 -0.183 0.000 2.701 55 N HA 0.255 4.996 4.740 0.001 0.000 0.290 55 N C -1.260 174.213 175.510 -0.062 0.000 1.338 55 N CA -0.677 52.339 53.050 -0.058 0.000 0.799 55 N CB 1.547 39.979 38.487 -0.092 0.000 1.491 55 N HN -0.006 nan 8.380 nan 0.000 0.540 56 C N 1.283 120.582 119.300 -0.001 0.000 2.429 56 C HA 0.659 5.120 4.460 0.001 0.000 0.310 56 C C 1.187 176.148 174.990 -0.050 0.000 1.446 56 C CA 0.488 59.442 59.018 -0.107 0.000 1.747 56 C CB -2.389 25.158 27.740 -0.320 0.000 2.865 56 C HN 0.895 nan 8.230 nan 0.000 0.554 57 G N 1.650 110.426 108.800 -0.039 0.000 2.574 57 G HA2 -0.171 3.790 3.960 0.001 0.000 0.286 57 G HA3 -0.171 3.790 3.960 0.001 0.000 0.286 57 G C -0.118 174.808 174.900 0.044 0.000 1.212 57 G CA 0.680 45.777 45.100 -0.005 0.000 0.979 57 G HN 1.640 nan 8.290 nan 0.000 0.557 58 V N -2.456 117.506 119.914 0.080 0.000 3.126 58 V HA 0.743 4.863 4.120 0.001 0.000 0.314 58 V C 1.141 177.288 176.094 0.088 0.000 1.138 58 V CA 0.562 62.917 62.300 0.091 0.000 1.034 58 V CB 1.725 33.615 31.823 0.111 0.000 1.075 58 V HN 0.966 nan 8.190 nan 0.000 0.442 59 D N -0.509 119.938 120.400 0.078 0.000 2.218 59 D HA -0.190 4.450 4.640 0.001 0.000 0.204 59 D C 1.327 177.678 176.300 0.084 0.000 0.976 59 D CA 1.571 55.611 54.000 0.068 0.000 0.853 59 D CB -0.186 40.650 40.800 0.058 0.000 0.939 59 D HN 0.731 nan 8.370 nan 0.000 0.481 60 D N -1.475 118.993 120.400 0.115 0.000 2.348 60 D HA -0.031 4.609 4.640 0.001 0.000 0.211 60 D C -0.253 176.232 176.300 0.309 0.000 0.998 60 D CA 0.216 54.308 54.000 0.153 0.000 0.873 60 D CB 0.457 41.321 40.800 0.106 0.000 0.925 60 D HN 0.302 nan 8.370 nan 0.000 0.524 61 W N -0.706 120.593 121.300 -0.001 0.000 3.153 61 W HA 0.337 4.998 4.660 0.001 0.000 0.316 61 W C 0.126 176.641 176.519 -0.006 0.000 1.255 61 W CA 0.053 57.398 57.345 -0.001 0.000 1.192 61 W CB 0.790 30.253 29.460 0.005 0.000 1.400 61 W HN 0.111 nan 8.180 nan 0.000 0.568 62 G N 2.015 110.470 108.800 -0.575 0.000 2.528 62 G HA2 -0.359 3.601 3.960 0.001 0.000 0.262 62 G HA3 -0.359 3.601 3.960 0.001 0.000 0.262 62 G C 0.448 175.189 174.900 -0.265 0.000 1.200 62 G CA 0.385 45.228 45.100 -0.428 0.000 0.951 62 G HN 0.727 nan 8.290 nan 0.000 0.566 63 L N 1.825 122.939 121.223 -0.181 0.000 2.265 63 L HA 0.095 4.436 4.340 0.001 0.000 0.215 63 L C 3.145 179.932 176.870 -0.138 0.000 1.117 63 L CA 1.502 56.247 54.840 -0.158 0.000 0.782 63 L CB -0.685 41.281 42.059 -0.155 0.000 0.914 63 L HN 0.786 nan 8.230 nan 0.000 0.441 64 G N -0.258 108.480 108.800 -0.104 0.000 2.498 64 G HA2 -0.209 3.751 3.960 0.001 0.000 0.219 64 G HA3 -0.209 3.751 3.960 0.001 0.000 0.219 64 G C 1.473 176.345 174.900 -0.046 0.000 1.119 64 G CA 0.204 45.265 45.100 -0.065 0.000 0.766 64 G HN 0.146 nan 8.290 nan 0.000 0.552 65 L N 0.169 121.355 121.223 -0.062 0.000 2.156 65 L HA 0.175 4.516 4.340 0.001 0.000 0.208 65 L C 2.786 179.623 176.870 -0.055 0.000 1.095 65 L CA 0.957 55.770 54.840 -0.045 0.000 0.770 65 L CB -0.450 41.563 42.059 -0.076 0.000 0.914 65 L HN 0.209 nan 8.230 nan 0.000 0.439 66 L N -2.030 119.144 121.223 -0.081 0.000 2.095 66 L HA -0.156 4.185 4.340 0.001 0.000 0.204 66 L C 2.392 179.221 176.870 -0.069 0.000 1.080 66 L CA 0.446 55.240 54.840 -0.075 0.000 0.759 66 L CB -0.548 41.456 42.059 -0.092 0.000 0.914 66 L HN 0.232 nan 8.230 nan 0.000 0.439 67 L N 0.785 121.956 121.223 -0.087 0.000 1.989 67 L HA -0.188 4.153 4.340 0.001 0.000 0.211 67 L C 2.696 179.539 176.870 -0.044 0.000 1.071 67 L CA 2.152 56.941 54.840 -0.085 0.000 0.749 67 L CB -0.679 41.307 42.059 -0.122 0.000 0.890 67 L HN 0.155 nan 8.230 nan 0.000 0.431 68 A N -1.025 121.778 122.820 -0.029 0.000 1.978 68 A HA -0.284 4.037 4.320 0.001 0.000 0.220 68 A C 2.218 179.796 177.584 -0.009 0.000 1.170 68 A CA 2.056 54.088 52.037 -0.007 0.000 0.636 68 A CB -1.000 18.004 19.000 0.006 0.000 0.810 68 A HN 0.716 nan 8.150 nan 0.000 0.448 69 N N -0.752 117.937 118.700 -0.017 0.000 2.398 69 N HA -0.054 4.686 4.740 0.001 0.000 0.188 69 N C -0.581 174.917 175.510 -0.019 0.000 1.122 69 N CA 0.273 53.313 53.050 -0.016 0.000 0.866 69 N CB -0.058 38.417 38.487 -0.020 0.000 0.970 69 N HN 0.184 nan 8.380 nan 0.000 0.462 70 K N 0.116 120.502 120.400 -0.023 0.000 3.218 70 K HA -0.172 4.149 4.320 0.001 0.000 0.276 70 K C -0.005 176.579 176.600 -0.027 0.000 1.173 70 K CA 0.477 56.751 56.287 -0.022 0.000 0.812 70 K CB -1.891 30.601 32.500 -0.013 0.000 1.275 70 K HN 0.539 nan 8.250 nan 0.000 0.504 71 Q N -0.220 119.559 119.800 -0.036 0.000 2.384 71 Q HA 0.242 4.583 4.340 0.001 0.000 0.207 71 Q C 0.609 176.584 176.000 -0.041 0.000 0.904 71 Q CA 0.293 56.074 55.803 -0.036 0.000 0.933 71 Q CB 0.472 29.185 28.738 -0.041 0.000 1.077 71 Q HN 0.404 nan 8.270 nan 0.000 0.522 72 I N 1.557 122.096 120.570 -0.053 0.000 2.304 72 I HA 0.088 4.259 4.170 0.001 0.000 0.291 72 I C 1.060 177.152 176.117 -0.042 0.000 1.018 72 I CA -0.172 61.091 61.300 -0.061 0.000 1.260 72 I CB 1.244 39.182 38.000 -0.104 0.000 1.390 72 I HN 0.012 nan 8.210 nan 0.000 0.475 73 K N 6.680 127.063 120.400 -0.029 0.000 2.116 73 K HA 0.026 4.346 4.320 0.001 0.000 0.203 73 K C 0.571 177.165 176.600 -0.010 0.000 1.052 73 K CA 0.995 57.273 56.287 -0.016 0.000 0.952 73 K CB 0.405 32.899 32.500 -0.009 0.000 0.729 73 K HN 0.619 nan 8.250 nan 0.000 0.446 74 K N 0.277 120.667 120.400 -0.016 0.000 2.523 74 K HA 0.237 4.558 4.320 0.001 0.000 0.257 74 K C -1.871 174.716 176.600 -0.022 0.000 0.932 74 K CA -0.816 55.470 56.287 -0.002 0.000 0.812 74 K CB 1.716 34.224 32.500 0.012 0.000 1.326 74 K HN -0.047 nan 8.250 nan 0.000 0.433 75 M N 5.188 124.782 119.600 -0.010 0.000 2.243 75 M HA 0.473 4.953 4.480 0.001 0.000 0.324 75 M C -1.730 174.592 176.300 0.036 0.000 1.031 75 M CA -0.661 54.611 55.300 -0.047 0.000 0.949 75 M CB 1.306 33.801 32.600 -0.175 0.000 1.615 75 M HN 0.616 nan 8.290 nan 0.000 0.430 76 I N 4.735 125.313 120.570 0.013 0.000 2.355 76 I HA 0.818 4.989 4.170 0.001 0.000 0.288 76 I C -0.322 175.808 176.117 0.022 0.000 0.999 76 I CA -0.450 60.875 61.300 0.041 0.000 1.163 76 I CB 0.984 39.004 38.000 0.032 0.000 1.316 76 I HN 0.876 nan 8.210 nan 0.000 0.454 77 A N 3.958 126.813 122.820 0.057 0.000 2.515 77 A HA 0.666 4.987 4.320 0.001 0.000 0.299 77 A C 0.105 177.719 177.584 0.051 0.000 1.179 77 A CA 0.068 52.125 52.037 0.033 0.000 0.656 77 A CB 1.382 20.430 19.000 0.080 0.000 1.306 77 A HN 0.610 nan 8.150 nan 0.000 0.459 78 S N -1.845 113.881 115.700 0.044 0.000 2.575 78 S HA 0.392 4.863 4.470 0.001 0.000 0.230 78 S C -0.212 174.459 174.600 0.119 0.000 1.062 78 S CA 0.366 58.616 58.200 0.083 0.000 0.913 78 S CB 0.099 63.373 63.200 0.123 0.000 0.837 78 S HN 1.126 nan 8.310 nan 0.000 0.487 79 Y N 0.827 121.070 120.300 -0.095 0.000 2.396 79 Y HA 0.576 5.127 4.550 0.001 0.000 0.332 79 Y C 0.545 176.344 175.900 -0.169 0.000 1.034 79 Y CA -1.088 56.922 58.100 -0.149 0.000 1.057 79 Y CB 1.965 40.341 38.460 -0.141 0.000 1.220 79 Y HN -0.101 nan 8.280 nan 0.000 0.440 80 V N 4.135 123.662 119.914 -0.645 0.000 2.283 80 V HA 0.143 4.263 4.120 0.001 0.000 0.239 80 V C 1.528 177.385 176.094 -0.395 0.000 1.035 80 V CA 1.792 63.717 62.300 -0.625 0.000 1.018 80 V CB -1.111 30.096 31.823 -1.025 0.000 0.658 80 V HN 1.187 nan 8.190 nan 0.000 0.459 81 G N 0.614 109.014 108.800 -0.668 0.000 2.531 81 G HA2 -0.266 3.695 3.960 0.001 0.000 0.274 81 G HA3 -0.266 3.695 3.960 0.001 0.000 0.274 81 G C 0.081 174.905 174.900 -0.127 0.000 1.159 81 G CA 0.241 45.155 45.100 -0.309 0.000 0.969 81 G HN 0.438 nan 8.290 nan 0.000 0.554 82 E N 2.223 122.419 120.200 -0.007 0.000 2.452 82 E HA 0.219 4.569 4.350 0.001 0.000 0.293 82 E C 0.241 176.850 176.600 0.014 0.000 1.535 82 E CA -0.151 56.250 56.400 0.002 0.000 1.816 82 E CB -0.267 29.450 29.700 0.027 0.000 1.494 82 E HN 0.358 nan 8.360 nan 0.000 0.464 83 N N 1.024 119.724 118.700 0.001 0.000 2.531 83 N HA 0.136 4.877 4.740 0.001 0.000 0.268 83 N C 0.342 175.875 175.510 0.039 0.000 1.023 83 N CA -0.312 52.770 53.050 0.053 0.000 0.896 83 N CB 1.053 39.624 38.487 0.140 0.000 1.233 83 N HN -0.169 nan 8.380 nan 0.000 0.512 84 K N 2.548 122.971 120.400 0.038 0.000 2.305 84 K HA 0.303 4.624 4.320 0.001 0.000 0.199 84 K C 1.537 178.173 176.600 0.059 0.000 1.047 84 K CA 0.536 56.840 56.287 0.028 0.000 0.976 84 K CB 0.470 32.982 32.500 0.020 0.000 0.765 84 K HN 0.546 nan 8.250 nan 0.000 0.474 85 I N -0.074 120.547 120.570 0.085 0.000 2.277 85 I HA -0.207 3.964 4.170 0.001 0.000 0.243 85 I C 1.912 178.135 176.117 0.177 0.000 1.094 85 I CA 0.671 62.030 61.300 0.099 0.000 1.393 85 I CB -0.146 37.897 38.000 0.072 0.000 1.078 85 I HN 0.120 nan 8.210 nan 0.000 0.417 86 F N 2.340 122.287 119.950 -0.005 0.000 2.043 86 F HA -0.291 4.237 4.527 0.001 0.000 0.297 86 F C 2.551 178.363 175.800 0.022 0.000 1.121 86 F CA 2.238 60.234 58.000 -0.006 0.000 1.199 86 F CB -0.893 38.072 39.000 -0.058 0.000 0.968 86 F HN 0.183 nan 8.300 nan 0.000 0.478 87 E N -0.145 120.080 120.200 0.042 0.000 2.070 87 E HA -0.292 4.058 4.350 0.001 0.000 0.197 87 E C 2.390 179.041 176.600 0.084 0.000 1.004 87 E CA 1.747 58.086 56.400 -0.102 0.000 0.805 87 E CB -0.171 29.452 29.700 -0.129 0.000 0.744 87 E HN 0.298 nan 8.360 nan 0.000 0.451 88 R N -0.003 120.553 120.500 0.094 0.000 2.090 88 R HA -0.021 4.319 4.340 0.001 0.000 0.228 88 R C 2.484 178.848 176.300 0.108 0.000 1.110 88 R CA 1.488 57.638 56.100 0.084 0.000 0.973 88 R CB -0.112 30.221 30.300 0.056 0.000 0.869 88 R HN 0.247 nan 8.270 nan 0.000 0.440 89 Q N -0.866 119.025 119.800 0.151 0.000 2.119 89 Q HA -0.158 4.183 4.340 0.001 0.000 0.201 89 Q C 1.564 177.673 176.000 0.183 0.000 0.972 89 Q CA 1.430 57.321 55.803 0.147 0.000 0.847 89 Q CB -0.098 28.734 28.738 0.156 0.000 0.903 89 Q HN 0.238 nan 8.270 nan 0.000 0.433 90 F N 0.785 120.804 119.950 0.115 0.000 2.011 90 F HA -0.333 4.195 4.527 0.001 0.000 0.296 90 F C 1.723 177.526 175.800 0.005 0.000 1.144 90 F CA 1.375 59.412 58.000 0.061 0.000 1.185 90 F CB -0.420 38.544 39.000 -0.061 0.000 0.961 90 F HN 0.079 nan 8.300 nan 0.000 0.485 91 L N -0.207 121.056 121.223 0.066 0.000 2.137 91 L HA -0.259 4.081 4.340 0.001 0.000 0.213 91 L C 2.684 179.495 176.870 -0.097 0.000 1.085 91 L CA 2.153 56.961 54.840 -0.053 0.000 0.760 91 L CB -2.072 40.008 42.059 0.036 0.000 0.893 91 L HN 0.359 nan 8.230 nan 0.000 0.434 92 S N -1.051 114.621 115.700 -0.048 0.000 2.436 92 S HA 0.053 4.523 4.470 0.001 0.000 0.228 92 S C 1.613 176.175 174.600 -0.063 0.000 1.014 92 S CA 0.972 59.149 58.200 -0.038 0.000 0.950 92 S CB -0.037 63.162 63.200 -0.001 0.000 0.784 92 S HN 0.663 nan 8.310 nan 0.000 0.504 93 G N 0.923 109.663 108.800 -0.099 0.000 2.179 93 G HA2 -0.325 3.635 3.960 0.001 0.000 0.260 93 G HA3 -0.325 3.635 3.960 0.001 0.000 0.260 93 G C 0.608 175.486 174.900 -0.036 0.000 0.977 93 G CA 0.837 45.882 45.100 -0.092 0.000 0.641 93 G HN 0.594 nan 8.290 nan 0.000 0.533 94 E N -0.766 119.429 120.200 -0.008 0.000 2.051 94 E HA 0.058 4.408 4.350 0.001 0.000 0.192 94 E C 1.229 177.842 176.600 0.021 0.000 0.991 94 E CA 0.846 57.251 56.400 0.009 0.000 0.799 94 E CB -0.017 29.696 29.700 0.021 0.000 0.748 94 E HN 0.586 nan 8.360 nan 0.000 0.449 95 L N 2.025 123.279 121.223 0.051 0.000 2.257 95 L HA 0.199 4.539 4.340 0.001 0.000 0.290 95 L C -0.554 176.362 176.870 0.077 0.000 1.044 95 L CA -0.138 54.742 54.840 0.067 0.000 0.810 95 L CB 1.438 43.565 42.059 0.112 0.000 1.193 95 L HN -0.040 nan 8.230 nan 0.000 0.425 96 E N 4.019 124.247 120.200 0.046 0.000 2.406 96 E HA 0.191 4.542 4.350 0.001 0.000 0.258 96 E C -1.316 175.349 176.600 0.107 0.000 1.043 96 E CA 0.053 56.482 56.400 0.048 0.000 0.929 96 E CB 0.517 30.233 29.700 0.026 0.000 0.969 96 E HN 0.505 nan 8.360 nan 0.000 0.462 97 V N 4.731 124.745 119.914 0.166 0.000 2.531 97 V HA 0.232 4.352 4.120 0.001 0.000 0.301 97 V C -0.139 176.101 176.094 0.242 0.000 1.034 97 V CA -0.763 61.713 62.300 0.293 0.000 0.865 97 V CB 1.756 33.969 31.823 0.649 0.000 0.995 97 V HN 0.628 nan 8.190 nan 0.000 0.424 98 E N 3.552 123.860 120.200 0.180 0.000 2.073 98 E HA 0.413 4.764 4.350 0.001 0.000 0.269 98 E C -1.413 175.271 176.600 0.140 0.000 0.917 98 E CA -0.786 55.697 56.400 0.138 0.000 0.757 98 E CB 1.373 31.125 29.700 0.087 0.000 1.111 98 E HN 0.510 nan 8.360 nan 0.000 0.410 99 L N 5.403 126.715 121.223 0.149 0.000 2.281 99 L HA 0.283 4.624 4.340 0.001 0.000 0.285 99 L C -1.000 175.917 176.870 0.078 0.000 1.074 99 L CA -0.274 54.623 54.840 0.095 0.000 0.817 99 L CB 1.409 43.510 42.059 0.070 0.000 1.168 99 L HN 0.299 nan 8.230 nan 0.000 0.434 100 V N 6.792 126.750 119.914 0.073 0.000 2.531 100 V HA 0.464 4.585 4.120 0.001 0.000 0.301 100 V C -2.182 173.969 176.094 0.094 0.000 1.034 100 V CA -1.770 60.579 62.300 0.081 0.000 0.865 100 V CB 1.903 33.779 31.823 0.088 0.000 0.995 100 V HN 0.645 nan 8.190 nan 0.000 0.424 101 P HA 0.047 nan 4.420 nan 0.000 0.267 101 P C 0.584 177.968 177.300 0.141 0.000 1.200 101 P CA 0.226 63.390 63.100 0.107 0.000 0.772 101 P CB 0.672 32.427 31.700 0.092 0.000 0.855 102 Q N 2.064 121.959 119.800 0.158 0.000 2.084 102 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 102 Q C 2.117 178.243 176.000 0.210 0.000 0.978 102 Q CA 2.155 58.096 55.803 0.231 0.000 0.844 102 Q CB -0.887 27.998 28.738 0.245 0.000 0.898 102 Q HN 0.688 nan 8.270 nan 0.000 0.426 103 G N -0.546 108.333 108.800 0.132 0.000 2.440 103 G HA2 -0.258 3.703 3.960 0.001 0.000 0.218 103 G HA3 -0.258 3.703 3.960 0.001 0.000 0.218 103 G C 1.353 176.328 174.900 0.124 0.000 1.154 103 G CA 1.330 46.482 45.100 0.087 0.000 0.767 103 G HN 0.371 nan 8.290 nan 0.000 0.552 104 T N 0.666 115.322 114.554 0.171 0.000 2.904 104 T HA -0.023 4.328 4.350 0.001 0.000 0.267 104 T C 2.181 177.030 174.700 0.248 0.000 1.059 104 T CA 0.906 63.153 62.100 0.245 0.000 1.137 104 T CB -0.102 68.873 68.868 0.178 0.000 0.879 104 T HN 0.132 nan 8.240 nan 0.000 0.467 105 L N 1.831 123.183 121.223 0.216 0.000 2.005 105 L HA 0.180 4.520 4.340 0.001 0.000 0.207 105 L C 2.641 179.671 176.870 0.267 0.000 1.072 105 L CA 1.979 56.961 54.840 0.237 0.000 0.744 105 L CB -1.335 40.875 42.059 0.251 0.000 0.895 105 L HN 0.194 nan 8.230 nan 0.000 0.433 106 A N -0.672 122.308 122.820 0.267 0.000 1.884 106 A HA -0.305 4.016 4.320 0.001 0.000 0.219 106 A C 2.294 179.851 177.584 -0.045 0.000 1.197 106 A CA 2.153 54.204 52.037 0.024 0.000 0.637 106 A CB -0.876 17.964 19.000 -0.267 0.000 0.827 106 A HN 0.554 nan 8.150 nan 0.000 0.450 107 E N -0.327 119.840 120.200 -0.056 0.000 2.152 107 E HA -0.081 4.269 4.350 0.001 0.000 0.192 107 E C 2.183 178.680 176.600 -0.170 0.000 0.983 107 E CA 1.068 57.317 56.400 -0.252 0.000 0.818 107 E CB -0.216 29.225 29.700 -0.432 0.000 0.758 107 E HN 0.605 nan 8.360 nan 0.000 0.467 108 R N -0.241 120.355 120.500 0.159 0.000 2.073 108 R HA -0.052 4.288 4.340 0.001 0.000 0.234 108 R C 2.454 178.823 176.300 0.114 0.000 1.134 108 R CA 1.604 57.869 56.100 0.274 0.000 0.952 108 R CB -0.402 30.051 30.300 0.255 0.000 0.850 108 R HN 0.254 nan 8.270 nan 0.000 0.433 109 I N 0.256 120.876 120.570 0.083 0.000 2.179 109 I HA -0.287 3.884 4.170 0.001 0.000 0.242 109 I C 2.774 178.879 176.117 -0.020 0.000 1.088 109 I CA 1.192 62.521 61.300 0.048 0.000 1.357 109 I CB -0.295 37.761 38.000 0.093 0.000 1.051 109 I HN 0.155 nan 8.210 nan 0.000 0.409 110 R N 1.357 121.815 120.500 -0.071 0.000 2.105 110 R HA -0.193 4.148 4.340 0.001 0.000 0.239 110 R C 2.306 178.540 176.300 -0.110 0.000 1.135 110 R CA 1.605 57.629 56.100 -0.126 0.000 0.967 110 R CB -0.227 29.967 30.300 -0.177 0.000 0.861 110 R HN 0.370 nan 8.270 nan 0.000 0.442 111 A N 0.296 123.058 122.820 -0.097 0.000 1.898 111 A HA -0.033 4.288 4.320 0.001 0.000 0.216 111 A C 2.351 179.934 177.584 -0.001 0.000 1.181 111 A CA 1.525 53.533 52.037 -0.049 0.000 0.620 111 A CB -1.137 17.878 19.000 0.026 0.000 0.819 111 A HN 0.576 nan 8.150 nan 0.000 0.442 112 G N -0.408 108.400 108.800 0.013 0.000 2.446 112 G HA2 -0.034 3.926 3.960 0.001 0.000 0.217 112 G HA3 -0.034 3.926 3.960 0.001 0.000 0.217 112 G C 1.510 176.409 174.900 -0.003 0.000 1.168 112 G CA 1.277 46.387 45.100 0.016 0.000 0.771 112 G HN 0.727 nan 8.290 nan 0.000 0.551 113 G N 0.404 109.181 108.800 -0.037 0.000 2.448 113 G HA2 0.207 4.168 3.960 0.001 0.000 0.218 113 G HA3 0.207 4.168 3.960 0.001 0.000 0.218 113 G C 1.632 176.513 174.900 -0.031 0.000 1.135 113 G CA 1.198 46.261 45.100 -0.062 0.000 0.784 113 G HN 0.699 nan 8.290 nan 0.000 0.543 114 A N -0.375 122.426 122.820 -0.032 0.000 2.307 114 A HA 0.500 4.821 4.320 0.001 0.000 0.218 114 A C 1.965 179.556 177.584 0.012 0.000 1.228 114 A CA 1.118 53.150 52.037 -0.009 0.000 0.857 114 A CB -0.380 18.596 19.000 -0.039 0.000 0.897 114 A HN 1.448 nan 8.150 nan 0.000 0.495 115 G N -0.422 108.389 108.800 0.018 0.000 2.162 115 G HA2 -0.216 3.745 3.960 0.001 0.000 0.260 115 G HA3 -0.216 3.745 3.960 0.001 0.000 0.260 115 G C 0.056 174.974 174.900 0.030 0.000 0.976 115 G CA 0.247 45.363 45.100 0.027 0.000 0.655 115 G HN 0.380 nan 8.290 nan 0.000 0.533 116 I N 1.852 122.440 120.570 0.029 0.000 2.421 116 I HA 0.176 4.347 4.170 0.001 0.000 0.291 116 I C -0.567 175.595 176.117 0.075 0.000 1.089 116 I CA -2.420 58.911 61.300 0.052 0.000 1.354 116 I CB 0.563 38.590 38.000 0.046 0.000 1.413 116 I HN -0.049 nan 8.210 nan 0.000 0.513 117 P HA 0.100 nan 4.420 nan 0.000 0.231 117 P C 0.496 177.828 177.300 0.052 0.000 1.168 117 P CA 0.598 63.731 63.100 0.054 0.000 0.779 117 P CB 0.765 32.488 31.700 0.037 0.000 0.844 118 G N -0.163 108.680 108.800 0.072 0.000 2.702 118 G HA2 0.541 4.501 3.960 0.001 0.000 0.296 118 G HA3 0.541 4.501 3.960 0.001 0.000 0.296 118 G C -1.889 173.042 174.900 0.053 0.000 1.463 118 G CA -0.671 44.415 45.100 -0.023 0.000 0.890 118 G HN 0.094 nan 8.290 nan 0.000 0.534 119 F N -0.343 119.480 119.950 -0.211 0.000 2.703 119 F HA 0.777 5.304 4.527 0.001 0.000 0.308 119 F C -2.201 173.425 175.800 -0.289 0.000 1.126 119 F CA -1.977 55.922 58.000 -0.169 0.000 0.959 119 F CB 1.045 39.995 39.000 -0.083 0.000 1.297 119 F HN 0.478 nan 8.300 nan 0.000 0.441 120 Y N 0.674 120.983 120.300 0.015 0.000 2.420 120 Y HA 0.701 5.252 4.550 0.001 0.000 0.334 120 Y C 0.419 176.358 175.900 0.064 0.000 1.094 120 Y CA -0.487 57.577 58.100 -0.060 0.000 1.126 120 Y CB 2.184 40.613 38.460 -0.052 0.000 1.217 120 Y HN 0.935 nan 8.280 nan 0.000 0.462 121 T N -0.101 114.626 114.554 0.288 0.000 2.853 121 T HA 0.592 4.942 4.350 0.001 0.000 0.311 121 T C 0.050 175.003 174.700 0.421 0.000 1.307 121 T CA -0.024 62.294 62.100 0.363 0.000 1.019 121 T CB 1.208 70.240 68.868 0.275 0.000 1.264 121 T HN 0.692 nan 8.240 nan 0.000 0.497 122 A N 1.721 124.743 122.820 0.336 0.000 2.132 122 A HA 0.301 4.621 4.320 0.001 0.000 0.213 122 A C 1.142 178.738 177.584 0.020 0.000 1.154 122 A CA 0.454 52.502 52.037 0.018 0.000 0.753 122 A CB -0.582 18.368 19.000 -0.085 0.000 0.826 122 A HN 0.814 nan 8.150 nan 0.000 0.469 123 T N 1.057 115.655 114.554 0.073 0.000 2.738 123 T HA 0.370 4.721 4.350 0.001 0.000 0.277 123 T C 1.323 176.042 174.700 0.032 0.000 0.981 123 T CA 1.259 63.392 62.100 0.055 0.000 1.211 123 T CB 0.058 68.976 68.868 0.083 0.000 0.932 123 T HN 1.330 nan 8.240 nan 0.000 0.522 124 G N 2.253 111.066 108.800 0.023 0.000 2.175 124 G HA2 -0.243 3.717 3.960 0.001 0.000 0.244 124 G HA3 -0.243 3.717 3.960 0.001 0.000 0.244 124 G C 0.350 175.259 174.900 0.016 0.000 0.982 124 G CA -0.076 45.038 45.100 0.023 0.000 0.641 124 G HN 1.250 nan 8.290 nan 0.000 0.527 125 V N -0.577 119.333 119.914 -0.006 0.000 2.843 125 V HA 0.580 4.701 4.120 0.001 0.000 0.305 125 V C 1.632 177.746 176.094 0.032 0.000 1.065 125 V CA 1.603 63.907 62.300 0.007 0.000 1.116 125 V CB 1.174 32.972 31.823 -0.041 0.000 0.968 125 V HN 2.320 nan 8.190 nan 0.000 0.487 126 G N 3.025 111.865 108.800 0.067 0.000 2.184 126 G HA2 -0.217 3.744 3.960 0.001 0.000 0.264 126 G HA3 -0.217 3.744 3.960 0.001 0.000 0.264 126 G C 0.432 175.357 174.900 0.042 0.000 0.975 126 G CA 0.981 46.110 45.100 0.048 0.000 0.642 126 G HN 2.076 nan 8.290 nan 0.000 0.536 127 T N -2.594 111.989 114.554 0.048 0.000 2.940 127 T HA 0.695 5.045 4.350 0.001 0.000 0.288 127 T C 1.657 176.388 174.700 0.051 0.000 1.045 127 T CA 0.804 62.930 62.100 0.042 0.000 1.018 127 T CB 1.486 70.376 68.868 0.037 0.000 1.151 127 T HN 1.050 nan 8.240 nan 0.000 0.529 128 S N 0.173 115.899 115.700 0.043 0.000 2.469 128 S HA -0.101 4.369 4.470 0.001 0.000 0.238 128 S C 1.785 176.415 174.600 0.051 0.000 0.998 128 S CA 0.446 58.672 58.200 0.044 0.000 0.957 128 S CB -0.839 62.384 63.200 0.038 0.000 0.764 128 S HN 0.549 nan 8.310 nan 0.000 0.514 129 I N 2.374 122.976 120.570 0.052 0.000 2.361 129 I HA 0.032 4.203 4.170 0.001 0.000 0.251 129 I C 2.542 178.690 176.117 0.052 0.000 1.133 129 I CA 0.570 61.901 61.300 0.051 0.000 1.413 129 I CB -0.852 37.177 38.000 0.047 0.000 1.073 129 I HN 0.439 nan 8.210 nan 0.000 0.424 130 A N -0.961 121.901 122.820 0.069 0.000 2.251 130 A HA 0.059 4.380 4.320 0.001 0.000 0.209 130 A C 1.081 178.767 177.584 0.170 0.000 1.187 130 A CA -0.143 51.954 52.037 0.101 0.000 0.823 130 A CB -0.565 18.498 19.000 0.105 0.000 0.846 130 A HN 0.351 nan 8.150 nan 0.000 0.486 131 E N -0.697 119.567 120.200 0.108 0.000 2.414 131 E HA 0.343 4.694 4.350 0.001 0.000 0.263 131 E C 1.149 177.792 176.600 0.071 0.000 1.000 131 E CA 0.750 57.198 56.400 0.080 0.000 0.914 131 E CB 0.204 29.930 29.700 0.043 0.000 0.948 131 E HN 0.577 nan 8.360 nan 0.000 0.444 132 G N 3.127 111.964 108.800 0.061 0.000 2.159 132 G HA2 -0.302 3.659 3.960 0.001 0.000 0.256 132 G HA3 -0.302 3.659 3.960 0.001 0.000 0.256 132 G C -0.116 174.825 174.900 0.067 0.000 0.977 132 G CA 0.297 45.426 45.100 0.049 0.000 0.652 132 G HN 0.432 nan 8.290 nan 0.000 0.531 133 K N 0.226 120.700 120.400 0.123 0.000 2.267 133 K HA 0.559 4.880 4.320 0.001 0.000 0.246 133 K C -0.259 176.481 176.600 0.233 0.000 0.954 133 K CA -1.008 55.350 56.287 0.118 0.000 0.824 133 K CB 1.501 34.034 32.500 0.055 0.000 1.167 133 K HN 0.144 nan 8.250 nan 0.000 0.431 134 E N 1.619 121.915 120.200 0.161 0.000 2.452 134 E HA -0.011 4.340 4.350 0.001 0.000 0.261 134 E C -0.895 175.907 176.600 0.336 0.000 0.987 134 E CA 0.626 57.164 56.400 0.229 0.000 0.926 134 E CB 0.127 29.929 29.700 0.170 0.000 0.934 134 E HN 0.265 nan 8.360 nan 0.000 0.452 135 H N 1.694 120.847 119.070 0.138 0.000 2.469 135 H HA 0.501 5.057 4.556 0.001 0.000 0.342 135 H C -0.491 174.917 175.328 0.133 0.000 1.115 135 H CA -0.655 55.487 56.048 0.157 0.000 1.204 135 H CB 1.323 31.134 29.762 0.082 0.000 1.492 135 H HN 0.281 nan 8.280 nan 0.000 0.499 136 K N 1.119 121.643 120.400 0.206 0.000 2.501 136 K HA 0.369 4.689 4.320 0.001 0.000 0.252 136 K C -0.927 175.653 176.600 -0.034 0.000 0.934 136 K CA -0.795 55.461 56.287 -0.051 0.000 0.797 136 K CB 1.511 33.785 32.500 -0.376 0.000 1.270 136 K HN 0.753 nan 8.250 nan 0.000 0.431 137 T N 0.349 114.806 114.554 -0.161 0.000 2.845 137 T HA 0.554 4.905 4.350 0.001 0.000 0.288 137 T C -0.496 173.988 174.700 -0.359 0.000 0.980 137 T CA -0.424 61.641 62.100 -0.059 0.000 1.071 137 T CB 0.161 69.010 68.868 -0.032 0.000 0.941 137 T HN 0.252 nan 8.240 nan 0.000 0.487 138 F N 0.819 120.848 119.950 0.130 0.000 2.532 138 F HA 0.615 5.142 4.527 0.000 0.000 0.321 138 F C 1.460 177.327 175.800 0.111 0.000 1.089 138 F CA -0.569 57.448 58.000 0.029 0.000 0.926 138 F CB 1.695 40.606 39.000 -0.149 0.000 1.168 138 F HN 0.949 nan 8.300 nan 0.000 0.459 139 G N 1.381 110.305 108.800 0.208 0.000 2.352 139 G HA2 -0.002 3.959 3.960 0.001 0.000 0.295 139 G HA3 -0.002 3.959 3.960 0.001 0.000 0.295 139 G C 1.165 176.136 174.900 0.118 0.000 0.991 139 G CA 0.906 46.093 45.100 0.145 0.000 0.796 139 G HN 1.913 nan 8.290 nan 0.000 0.511 140 G N -1.925 106.933 108.800 0.097 0.000 2.258 140 G HA2 -0.241 3.720 3.960 0.001 0.000 0.233 140 G HA3 -0.241 3.720 3.960 0.001 0.000 0.233 140 G C 0.453 175.395 174.900 0.070 0.000 1.006 140 G CA 0.786 45.925 45.100 0.065 0.000 0.620 140 G HN 0.983 nan 8.290 nan 0.000 0.511 141 R N 0.753 121.329 120.500 0.127 0.000 2.540 141 R HA 0.619 4.960 4.340 0.001 0.000 0.287 141 R C -0.316 175.990 176.300 0.010 0.000 0.980 141 R CA -0.100 56.019 56.100 0.032 0.000 0.966 141 R CB 1.135 31.424 30.300 -0.019 0.000 1.106 141 R HN 0.131 nan 8.270 nan 0.000 0.480 142 T N 2.526 116.985 114.554 -0.159 0.000 2.806 142 T HA 0.370 4.720 4.350 0.001 0.000 0.290 142 T C -0.898 173.604 174.700 -0.329 0.000 0.966 142 T CA -0.183 61.866 62.100 -0.086 0.000 1.060 142 T CB 0.300 69.174 68.868 0.009 0.000 0.927 142 T HN 0.276 nan 8.240 nan 0.000 0.485 143 Y N 0.514 120.881 120.300 0.112 0.000 2.570 143 Y HA 0.593 5.144 4.550 0.002 0.000 0.345 143 Y C -0.079 175.856 175.900 0.060 0.000 1.014 143 Y CA -1.285 56.896 58.100 0.135 0.000 1.063 143 Y CB 1.452 40.087 38.460 0.291 0.000 1.272 143 Y HN 0.329 nan 8.280 nan 0.000 0.477 144 V N 2.602 122.588 119.914 0.121 0.000 2.483 144 V HA 0.321 4.442 4.120 0.001 0.000 0.295 144 V C -0.511 175.521 176.094 -0.104 0.000 1.035 144 V CA -1.012 61.233 62.300 -0.093 0.000 0.896 144 V CB 1.535 33.235 31.823 -0.206 0.000 0.986 144 V HN 0.556 nan 8.190 nan 0.000 0.447 145 L N 4.356 125.431 121.223 -0.247 0.000 2.418 145 L HA 0.377 4.717 4.340 0.001 0.000 0.274 145 L C 0.140 176.697 176.870 -0.522 0.000 1.135 145 L CA 0.796 55.227 54.840 -0.682 0.000 0.870 145 L CB -0.076 41.684 42.059 -0.499 0.000 1.154 145 L HN 0.675 nan 8.230 nan 0.000 0.462 146 E N 5.483 125.212 120.200 -0.786 0.000 2.195 146 E HA 0.408 4.759 4.350 0.001 0.000 0.271 146 E C -0.679 175.598 176.600 -0.539 0.000 0.923 146 E CA -0.712 55.283 56.400 -0.674 0.000 0.790 146 E CB 1.638 30.848 29.700 -0.816 0.000 1.155 146 E HN 0.546 nan 8.360 nan 0.000 0.402 147 R N 0.374 120.744 120.500 -0.216 0.000 2.368 147 R HA 0.376 4.717 4.340 0.001 0.000 0.302 147 R C 0.565 176.902 176.300 0.061 0.000 1.002 147 R CA -0.576 55.486 56.100 -0.063 0.000 0.929 147 R CB 1.167 31.439 30.300 -0.046 0.000 1.073 147 R HN 0.551 nan 8.270 nan 0.000 0.464 148 G N 3.140 112.004 108.800 0.106 0.000 2.287 148 G HA2 0.061 4.022 3.960 0.001 0.000 0.235 148 G HA3 0.061 4.022 3.960 0.001 0.000 0.235 148 G C -0.093 174.851 174.900 0.073 0.000 1.258 148 G CA -0.157 45.011 45.100 0.114 0.000 0.884 148 G HN 0.455 nan 8.290 nan 0.000 0.518 149 I N 1.041 121.654 120.570 0.072 0.000 2.412 149 I HA 0.370 4.541 4.170 0.001 0.000 0.296 149 I C 0.341 176.480 176.117 0.035 0.000 0.987 149 I CA -0.225 61.106 61.300 0.051 0.000 1.180 149 I CB 2.381 40.416 38.000 0.058 0.000 1.340 149 I HN 0.326 nan 8.210 nan 0.000 0.455 150 T N 3.892 118.463 114.554 0.028 0.000 2.886 150 T HA 0.630 4.981 4.350 0.001 0.000 0.292 150 T C -0.192 174.519 174.700 0.019 0.000 1.012 150 T CA -0.608 61.505 62.100 0.021 0.000 0.982 150 T CB 1.722 70.602 68.868 0.021 0.000 1.018 150 T HN 0.774 nan 8.240 nan 0.000 0.451 151 G N 1.363 110.173 108.800 0.017 0.000 2.489 151 G HA2 0.473 4.433 3.960 0.001 0.000 0.327 151 G HA3 0.473 4.433 3.960 0.001 0.000 0.327 151 G C 0.011 174.920 174.900 0.014 0.000 1.189 151 G CA -0.704 44.405 45.100 0.015 0.000 0.962 151 G HN 0.684 nan 8.290 nan 0.000 0.486 152 D N -1.443 118.963 120.400 0.010 0.000 2.183 152 D HA 0.092 4.732 4.640 0.001 0.000 0.203 152 D C 0.609 176.919 176.300 0.016 0.000 0.969 152 D CA 1.153 55.155 54.000 0.004 0.000 0.842 152 D CB 0.352 41.148 40.800 -0.006 0.000 0.957 152 D HN 0.130 nan 8.370 nan 0.000 0.484 153 V N -0.061 119.868 119.914 0.024 0.000 2.851 153 V HA 0.664 4.784 4.120 0.001 0.000 0.307 153 V C -1.055 175.061 176.094 0.036 0.000 1.129 153 V CA -1.168 61.154 62.300 0.037 0.000 0.932 153 V CB 2.057 33.905 31.823 0.041 0.000 1.024 153 V HN 0.061 nan 8.190 nan 0.000 0.426 154 A N 4.375 127.224 122.820 0.049 0.000 2.342 154 A HA 0.950 5.271 4.320 0.001 0.000 0.323 154 A C -1.276 176.344 177.584 0.059 0.000 1.125 154 A CA -0.472 51.594 52.037 0.048 0.000 0.785 154 A CB 1.239 20.270 19.000 0.052 0.000 1.221 154 A HN 0.692 nan 8.150 nan 0.000 0.463 155 I N 2.602 123.201 120.570 0.049 0.000 2.476 155 I HA 0.462 4.632 4.170 0.001 0.000 0.281 155 I C -0.340 175.813 176.117 0.060 0.000 1.040 155 I CA -0.231 61.098 61.300 0.048 0.000 1.094 155 I CB 1.803 39.813 38.000 0.017 0.000 1.219 155 I HN 0.662 nan 8.210 nan 0.000 0.450 156 V N 3.660 123.631 119.914 0.095 0.000 3.074 156 V HA 0.813 4.934 4.120 0.001 0.000 0.314 156 V C -0.951 175.245 176.094 0.170 0.000 1.117 156 V CA -0.896 61.483 62.300 0.131 0.000 1.014 156 V CB 2.181 34.105 31.823 0.168 0.000 1.057 156 V HN 0.634 nan 8.190 nan 0.000 0.438 157 K N 1.924 122.457 120.400 0.222 0.000 2.426 157 K HA 0.906 5.227 4.320 0.001 0.000 0.254 157 K C -0.678 176.181 176.600 0.432 0.000 0.936 157 K CA 0.370 56.807 56.287 0.251 0.000 0.801 157 K CB 1.609 34.222 32.500 0.188 0.000 1.139 157 K HN 1.481 nan 8.250 nan 0.000 0.424 158 A N 2.979 126.001 122.820 0.336 0.000 2.435 158 A HA 0.497 4.818 4.320 0.001 0.000 0.296 158 A C -0.561 177.175 177.584 0.254 0.000 1.147 158 A CA -0.788 51.413 52.037 0.274 0.000 0.775 158 A CB 0.398 19.357 19.000 -0.069 0.000 1.340 158 A HN 0.992 nan 8.150 nan 0.000 0.427 159 W N 0.909 122.217 121.300 0.013 0.000 2.488 159 W HA 0.261 4.922 4.660 0.001 0.000 0.304 159 W C 0.058 176.567 176.519 -0.018 0.000 1.175 159 W CA 1.115 58.476 57.345 0.027 0.000 1.365 159 W CB 0.162 29.652 29.460 0.051 0.000 1.131 159 W HN 0.499 nan 8.180 nan 0.000 0.520 160 K N 0.121 120.371 120.400 -0.250 0.000 2.371 160 K HA 0.635 4.955 4.320 0.001 0.000 0.251 160 K C -1.120 175.330 176.600 -0.250 0.000 0.934 160 K CA -0.655 55.392 56.287 -0.400 0.000 0.798 160 K CB 2.209 34.315 32.500 -0.656 0.000 1.204 160 K HN -0.137 nan 8.250 nan 0.000 0.427 161 A N 1.698 124.404 122.820 -0.189 0.000 2.454 161 A HA 0.559 4.880 4.320 0.001 0.000 0.302 161 A C -1.432 176.078 177.584 -0.123 0.000 1.079 161 A CA -0.770 51.186 52.037 -0.135 0.000 0.731 161 A CB 1.236 20.191 19.000 -0.074 0.000 1.299 161 A HN 0.808 nan 8.150 nan 0.000 0.413 162 D N -0.865 119.475 120.400 -0.101 0.000 2.384 162 D HA 0.401 5.042 4.640 0.001 0.000 0.250 162 D C 1.177 177.441 176.300 -0.059 0.000 1.029 162 D CA 0.288 54.236 54.000 -0.086 0.000 0.990 162 D CB 0.341 41.086 40.800 -0.091 0.000 1.175 162 D HN 0.502 nan 8.370 nan 0.000 0.532 163 T N -2.557 111.965 114.554 -0.052 0.000 2.969 163 T HA -0.203 4.147 4.350 0.001 0.000 0.271 163 T C 1.395 176.073 174.700 -0.036 0.000 1.127 163 T CA 1.054 63.132 62.100 -0.037 0.000 1.102 163 T CB -0.403 68.445 68.868 -0.034 0.000 0.855 163 T HN 0.444 nan 8.240 nan 0.000 0.536 164 M N -0.012 119.561 119.600 -0.044 0.000 2.346 164 M HA 0.402 4.883 4.480 0.001 0.000 0.280 164 M C 1.506 177.779 176.300 -0.046 0.000 1.075 164 M CA 0.500 55.772 55.300 -0.047 0.000 0.989 164 M CB 0.680 33.249 32.600 -0.051 0.000 1.447 164 M HN 0.525 nan 8.290 nan 0.000 0.511 165 G N 0.698 109.475 108.800 -0.038 0.000 2.175 165 G HA2 -0.226 3.735 3.960 0.001 0.000 0.244 165 G HA3 -0.226 3.735 3.960 0.001 0.000 0.244 165 G C -0.190 174.699 174.900 -0.018 0.000 0.982 165 G CA -0.274 44.813 45.100 -0.022 0.000 0.641 165 G HN 0.467 nan 8.290 nan 0.000 0.527 166 N N 0.658 119.332 118.700 -0.042 0.000 2.458 166 N HA 0.434 5.174 4.740 0.001 0.000 0.258 166 N C 0.297 175.756 175.510 -0.085 0.000 1.219 166 N CA 0.634 53.654 53.050 -0.049 0.000 0.902 166 N CB 0.637 39.083 38.487 -0.069 0.000 1.076 166 N HN 0.477 nan 8.380 nan 0.000 0.455 167 L N 2.697 123.862 121.223 -0.096 0.000 2.386 167 L HA 0.609 4.950 4.340 0.001 0.000 0.271 167 L C -0.077 176.578 176.870 -0.358 0.000 0.993 167 L CA -0.699 53.985 54.840 -0.259 0.000 0.819 167 L CB 1.800 43.668 42.059 -0.319 0.000 1.294 167 L HN 0.255 nan 8.230 nan 0.000 0.414 168 I N 1.834 122.151 120.570 -0.422 0.000 2.474 168 I HA 0.472 4.643 4.170 0.001 0.000 0.294 168 I C -0.840 175.125 176.117 -0.253 0.000 1.005 168 I CA -0.348 60.817 61.300 -0.226 0.000 1.113 168 I CB 1.861 39.804 38.000 -0.096 0.000 1.289 168 I HN 0.345 nan 8.210 nan 0.000 0.436 169 F N 4.068 124.364 119.950 0.576 0.000 2.509 169 F HA 0.627 5.154 4.527 0.001 0.000 0.334 169 F C 0.308 176.308 175.800 0.334 0.000 1.060 169 F CA -0.851 57.369 58.000 0.367 0.000 0.997 169 F CB 1.044 40.147 39.000 0.171 0.000 1.271 169 F HN 0.215 nan 8.300 nan 0.000 0.488 170 R N 1.559 122.262 120.500 0.338 0.000 2.480 170 R HA 0.361 4.701 4.340 0.001 0.000 0.306 170 R C -0.195 176.105 176.300 0.001 0.000 0.958 170 R CA -0.628 55.485 56.100 0.021 0.000 0.861 170 R CB 1.433 31.537 30.300 -0.326 0.000 1.171 170 R HN 0.661 nan 8.270 nan 0.000 0.445 171 K N -0.135 120.243 120.400 -0.037 0.000 1.867 171 K HA -0.291 4.029 4.320 0.001 0.000 0.140 171 K C 0.840 177.410 176.600 -0.050 0.000 1.408 171 K CA 1.811 58.065 56.287 -0.055 0.000 0.461 171 K CB -1.222 31.232 32.500 -0.077 0.000 0.594 171 K HN 0.589 nan 8.250 nan 0.000 0.888 172 T N 0.957 115.478 114.554 -0.055 0.000 3.148 172 T HA 0.177 4.527 4.350 0.001 0.000 0.253 172 T C 1.331 176.008 174.700 -0.040 0.000 1.134 172 T CA 0.971 63.026 62.100 -0.075 0.000 1.051 172 T CB -0.246 68.575 68.868 -0.077 0.000 0.959 172 T HN 0.521 nan 8.240 nan 0.000 0.525 173 A N 0.613 123.438 122.820 0.009 0.000 2.206 173 A HA 0.124 4.444 4.320 0.001 0.000 0.211 173 A C 2.159 179.766 177.584 0.038 0.000 1.158 173 A CA 0.687 52.764 52.037 0.066 0.000 0.761 173 A CB -0.306 18.762 19.000 0.114 0.000 0.801 173 A HN 0.426 nan 8.150 nan 0.000 0.473 174 R N 0.415 120.877 120.500 -0.064 0.000 2.051 174 R HA -0.112 4.229 4.340 0.001 0.000 0.225 174 R C 1.691 177.802 176.300 -0.316 0.000 1.155 174 R CA 1.546 57.454 56.100 -0.321 0.000 0.945 174 R CB -0.366 29.775 30.300 -0.265 0.000 0.840 174 R HN 0.682 nan 8.270 nan 0.000 0.432 175 N N -0.782 117.793 118.700 -0.207 0.000 1.167 175 N HA -0.362 4.378 4.740 0.001 0.000 0.140 175 N C 0.826 176.213 175.510 -0.206 0.000 0.473 175 N CA 2.569 55.529 53.050 -0.151 0.000 0.991 175 N CB -1.501 37.041 38.487 0.092 0.000 1.437 175 N HN 0.217 nan 8.380 nan 0.000 0.473 176 F N 0.452 120.325 119.950 -0.127 0.000 2.789 176 F HA 0.274 4.802 4.527 0.001 0.000 0.300 176 F C 2.114 177.814 175.800 -0.166 0.000 1.132 176 F CA -0.014 57.920 58.000 -0.110 0.000 1.404 176 F CB -0.290 38.691 39.000 -0.031 0.000 1.114 176 F HN 0.254 nan 8.300 nan 0.000 0.584 177 N N 1.174 119.788 118.700 -0.142 0.000 2.058 177 N HA -0.134 4.607 4.740 0.001 0.000 0.191 177 N C -0.765 174.624 175.510 -0.202 0.000 1.037 177 N CA 1.639 54.559 53.050 -0.217 0.000 0.848 177 N CB -1.660 36.570 38.487 -0.427 0.000 1.021 177 N HN 0.161 nan 8.380 nan 0.000 0.422 178 P HA -0.098 nan 4.420 nan 0.000 0.216 178 P C 1.813 179.051 177.300 -0.102 0.000 1.150 178 P CA 1.072 64.116 63.100 -0.094 0.000 0.837 178 P CB -0.221 31.417 31.700 -0.103 0.000 0.786 179 I N -3.821 116.666 120.570 -0.138 0.000 2.500 179 I HA 0.029 4.199 4.170 0.001 0.000 0.252 179 I C 2.109 178.174 176.117 -0.086 0.000 1.142 179 I CA 1.284 62.501 61.300 -0.138 0.000 1.451 179 I CB -1.198 36.713 38.000 -0.148 0.000 1.093 179 I HN -0.215 nan 8.210 nan 0.000 0.430 180 A N 1.796 124.608 122.820 -0.014 0.000 1.930 180 A HA 0.033 4.353 4.320 0.001 0.000 0.217 180 A C 2.596 180.180 177.584 -0.000 0.000 1.175 180 A CA 1.723 53.773 52.037 0.022 0.000 0.627 180 A CB -0.911 18.127 19.000 0.062 0.000 0.815 180 A HN 0.574 nan 8.150 nan 0.000 0.443 181 A N -0.277 122.544 122.820 0.002 0.000 1.917 181 A HA -0.211 4.110 4.320 0.001 0.000 0.219 181 A C 2.220 179.761 177.584 -0.072 0.000 1.182 181 A CA 2.062 54.115 52.037 0.027 0.000 0.633 181 A CB -0.567 18.500 19.000 0.111 0.000 0.819 181 A HN 0.561 nan 8.150 nan 0.000 0.448 182 M N -0.838 118.597 119.600 -0.275 0.000 2.254 182 M HA -0.018 4.463 4.480 0.001 0.000 0.265 182 M C 2.299 178.508 176.300 -0.153 0.000 1.066 182 M CA 1.261 56.288 55.300 -0.455 0.000 1.123 182 M CB -0.183 32.039 32.600 -0.629 0.000 1.388 182 M HN 0.426 nan 8.290 nan 0.000 0.425 183 A N 0.355 123.122 122.820 -0.088 0.000 2.123 183 A HA 0.257 4.578 4.320 0.001 0.000 0.214 183 A C 1.379 178.967 177.584 0.006 0.000 1.152 183 A CA 0.648 52.669 52.037 -0.027 0.000 0.728 183 A CB -0.853 18.140 19.000 -0.012 0.000 0.814 183 A HN 0.433 nan 8.150 nan 0.000 0.464 184 G N -0.423 108.387 108.800 0.018 0.000 2.370 184 G HA2 0.362 4.323 3.960 0.001 0.000 0.272 184 G HA3 0.362 4.323 3.960 0.001 0.000 0.272 184 G C 0.589 175.516 174.900 0.046 0.000 1.208 184 G CA 0.086 45.206 45.100 0.035 0.000 0.856 184 G HN 0.396 nan 8.290 nan 0.000 0.500 185 K N 2.273 122.696 120.400 0.038 0.000 1.991 185 K HA -0.048 4.273 4.320 0.001 0.000 0.212 185 K C 0.655 177.285 176.600 0.050 0.000 1.049 185 K CA 0.954 57.264 56.287 0.038 0.000 0.932 185 K CB -0.180 32.333 32.500 0.021 0.000 0.717 185 K HN 0.485 nan 8.250 nan 0.000 0.441 186 I N 1.540 122.143 120.570 0.056 0.000 2.336 186 I HA 0.125 4.296 4.170 0.001 0.000 0.292 186 I C -0.779 175.399 176.117 0.101 0.000 0.991 186 I CA -0.465 60.888 61.300 0.088 0.000 1.227 186 I CB 1.988 40.052 38.000 0.107 0.000 1.366 186 I HN 0.047 nan 8.210 nan 0.000 0.466 187 T N 7.267 121.889 114.554 0.112 0.000 2.792 187 T HA 0.616 4.967 4.350 0.001 0.000 0.280 187 T C -0.190 174.597 174.700 0.146 0.000 0.990 187 T CA -0.354 61.815 62.100 0.115 0.000 0.960 187 T CB 0.869 69.805 68.868 0.113 0.000 0.939 187 T HN 0.249 nan 8.240 nan 0.000 0.439 188 I N 2.560 123.213 120.570 0.139 0.000 2.389 188 I HA 0.660 4.831 4.170 0.001 0.000 0.288 188 I C 0.118 176.307 176.117 0.119 0.000 0.999 188 I CA -1.121 60.266 61.300 0.146 0.000 1.129 188 I CB 1.558 39.625 38.000 0.112 0.000 1.288 188 I HN 0.613 nan 8.210 nan 0.000 0.444 189 A N 5.261 128.153 122.820 0.120 0.000 2.317 189 A HA 0.564 4.885 4.320 0.001 0.000 0.327 189 A C -0.469 177.174 177.584 0.098 0.000 1.178 189 A CA -0.507 51.602 52.037 0.119 0.000 0.817 189 A CB 1.122 20.193 19.000 0.118 0.000 1.189 189 A HN 0.799 nan 8.150 nan 0.000 0.489 190 E N 1.953 122.217 120.200 0.105 0.000 2.151 190 E HA 0.628 4.979 4.350 0.001 0.000 0.275 190 E C -0.575 176.085 176.600 0.101 0.000 0.936 190 E CA -0.585 55.869 56.400 0.089 0.000 0.777 190 E CB 1.286 31.034 29.700 0.080 0.000 1.108 190 E HN 0.805 nan 8.360 nan 0.000 0.401 191 A N 4.285 127.150 122.820 0.076 0.000 2.371 191 A HA 0.287 4.608 4.320 0.001 0.000 0.311 191 A C 0.365 177.991 177.584 0.071 0.000 1.068 191 A CA -0.621 51.455 52.037 0.065 0.000 0.744 191 A CB 1.297 20.302 19.000 0.008 0.000 1.239 191 A HN 0.877 nan 8.150 nan 0.000 0.435 192 E N 1.094 121.360 120.200 0.111 0.000 2.072 192 E HA -0.091 4.260 4.350 0.001 0.000 0.191 192 E C -0.248 176.385 176.600 0.055 0.000 0.985 192 E CA 0.976 57.453 56.400 0.129 0.000 0.801 192 E CB 0.158 30.011 29.700 0.255 0.000 0.750 192 E HN 0.760 nan 8.360 nan 0.000 0.452 193 E N 0.812 120.992 120.200 -0.033 0.000 2.210 193 E HA 0.338 4.689 4.350 0.001 0.000 0.266 193 E C -0.796 175.728 176.600 -0.126 0.000 0.883 193 E CA -0.611 55.723 56.400 -0.110 0.000 0.761 193 E CB 2.135 31.696 29.700 -0.231 0.000 1.156 193 E HN -0.043 nan 8.360 nan 0.000 0.412 194 I N 2.882 123.398 120.570 -0.090 0.000 2.377 194 I HA 0.300 4.470 4.170 0.001 0.000 0.293 194 I C 0.220 176.278 176.117 -0.097 0.000 0.987 194 I CA -1.025 60.225 61.300 -0.083 0.000 1.185 194 I CB 1.076 39.049 38.000 -0.045 0.000 1.341 194 I HN 0.310 nan 8.210 nan 0.000 0.455 195 V N 2.295 122.142 119.914 -0.111 0.000 3.001 195 V HA 0.614 4.735 4.120 0.001 0.000 0.314 195 V C -0.084 175.960 176.094 -0.084 0.000 1.099 195 V CA -0.976 61.261 62.300 -0.104 0.000 0.989 195 V CB 2.006 33.747 31.823 -0.137 0.000 1.040 195 V HN 0.789 nan 8.190 nan 0.000 0.434 196 E N 1.413 121.570 120.200 -0.071 0.000 2.398 196 E HA 0.493 4.843 4.350 0.001 0.000 0.263 196 E C 0.359 176.918 176.600 -0.068 0.000 1.046 196 E CA 0.043 56.407 56.400 -0.060 0.000 0.908 196 E CB 1.214 30.884 29.700 -0.050 0.000 0.963 196 E HN 1.186 nan 8.360 nan 0.000 0.431 197 A N 2.229 125.013 122.820 -0.059 0.000 2.477 197 A HA 0.430 4.751 4.320 0.001 0.000 0.246 197 A C 1.067 178.613 177.584 -0.062 0.000 1.078 197 A CA 0.616 52.615 52.037 -0.063 0.000 0.770 197 A CB -0.027 18.941 19.000 -0.054 0.000 1.011 197 A HN 0.887 nan 8.150 nan 0.000 0.494 198 G N 0.932 109.690 108.800 -0.070 0.000 2.213 198 G HA2 -0.194 3.767 3.960 0.001 0.000 0.226 198 G HA3 -0.194 3.767 3.960 0.001 0.000 0.226 198 G C 0.711 175.560 174.900 -0.084 0.000 0.992 198 G CA 0.500 45.558 45.100 -0.070 0.000 0.632 198 G HN 0.661 nan 8.290 nan 0.000 0.511 199 E N -0.087 120.057 120.200 -0.093 0.000 2.299 199 E HA 0.151 4.501 4.350 0.001 0.000 0.193 199 E C 1.076 177.592 176.600 -0.139 0.000 0.998 199 E CA 0.404 56.739 56.400 -0.109 0.000 0.851 199 E CB 0.106 29.741 29.700 -0.109 0.000 0.795 199 E HN 0.589 nan 8.360 nan 0.000 0.492 200 L N 1.867 123.005 121.223 -0.141 0.000 2.275 200 L HA 0.235 4.575 4.340 0.001 0.000 0.288 200 L C 0.094 176.864 176.870 -0.168 0.000 1.046 200 L CA -0.827 53.912 54.840 -0.167 0.000 0.805 200 L CB 1.044 43.007 42.059 -0.159 0.000 1.193 200 L HN -0.201 nan 8.230 nan 0.000 0.426 201 D N 4.811 125.060 120.400 -0.252 0.000 2.472 201 D HA 0.018 4.659 4.640 0.001 0.000 0.248 201 D C -1.518 174.713 176.300 -0.114 0.000 1.174 201 D CA -0.850 52.990 54.000 -0.268 0.000 0.883 201 D CB 1.157 41.569 40.800 -0.648 0.000 1.149 201 D HN 0.258 nan 8.370 nan 0.000 0.488 202 P HA -0.130 nan 4.420 nan 0.000 0.217 202 P C 0.406 177.721 177.300 0.026 0.000 1.148 202 P CA 0.907 63.993 63.100 -0.023 0.000 0.828 202 P CB 0.238 31.924 31.700 -0.023 0.000 0.783 203 D N -2.711 117.739 120.400 0.084 0.000 2.340 203 D HA -0.035 4.606 4.640 0.001 0.000 0.220 203 D C 1.012 177.424 176.300 0.186 0.000 1.039 203 D CA 0.660 54.738 54.000 0.130 0.000 0.866 203 D CB -0.049 40.829 40.800 0.129 0.000 0.913 203 D HN 0.301 nan 8.370 nan 0.000 0.523 204 H N -0.540 118.481 119.070 -0.082 0.000 2.729 204 H HA 0.287 4.844 4.556 0.001 0.000 0.263 204 H C 0.637 175.770 175.328 -0.326 0.000 0.961 204 H CA -0.269 55.688 56.048 -0.151 0.000 1.217 204 H CB 0.578 30.266 29.762 -0.123 0.000 1.447 204 H HN 0.039 nan 8.280 nan 0.000 0.496 205 I N 1.599 122.119 120.570 -0.085 0.000 2.826 205 I HA -0.175 3.996 4.170 0.001 0.000 0.295 205 I C 1.026 177.087 176.117 -0.094 0.000 1.213 205 I CA 0.853 62.073 61.300 -0.133 0.000 1.436 205 I CB 0.594 38.564 38.000 -0.051 0.000 1.348 205 I HN 0.417 nan 8.210 nan 0.000 0.570 206 H N 2.060 121.190 119.070 0.100 0.000 2.439 206 H HA 0.046 4.603 4.556 0.001 0.000 0.299 206 H C 0.798 176.266 175.328 0.234 0.000 1.033 206 H CA 0.579 56.742 56.048 0.192 0.000 1.348 206 H CB 0.475 30.446 29.762 0.348 0.000 1.449 206 H HN 0.613 nan 8.280 nan 0.000 0.544 207 T N 1.070 115.835 114.554 0.351 0.000 2.833 207 T HA 0.301 4.652 4.350 0.001 0.000 0.297 207 T C -2.977 171.848 174.700 0.208 0.000 1.015 207 T CA -2.538 59.765 62.100 0.338 0.000 0.963 207 T CB 1.437 70.568 68.868 0.439 0.000 0.955 207 T HN -0.160 nan 8.240 nan 0.000 0.449 208 P HA 0.172 nan 4.420 nan 0.000 0.267 208 P C 1.270 178.556 177.300 -0.024 0.000 1.200 208 P CA 0.005 63.111 63.100 0.010 0.000 0.772 208 P CB 0.321 31.966 31.700 -0.091 0.000 0.855 209 G N 2.021 110.788 108.800 -0.055 0.000 2.498 209 G HA2 -0.250 3.710 3.960 0.001 0.000 0.219 209 G HA3 -0.250 3.710 3.960 0.001 0.000 0.219 209 G C 1.368 176.215 174.900 -0.087 0.000 1.119 209 G CA 0.188 45.258 45.100 -0.050 0.000 0.766 209 G HN 0.552 nan 8.290 nan 0.000 0.552 210 I N -0.605 119.850 120.570 -0.190 0.000 2.194 210 I HA -0.258 3.913 4.170 0.001 0.000 0.246 210 I C 2.032 178.040 176.117 -0.182 0.000 1.093 210 I CA 1.374 62.523 61.300 -0.252 0.000 1.355 210 I CB 0.036 37.802 38.000 -0.389 0.000 1.046 210 I HN 0.250 nan 8.210 nan 0.000 0.413 211 Y N 0.059 120.367 120.300 0.014 0.000 2.583 211 Y HA 0.192 4.742 4.550 0.001 0.000 0.293 211 Y C 0.585 176.500 175.900 0.024 0.000 1.157 211 Y CA -0.127 57.988 58.100 0.024 0.000 1.315 211 Y CB -0.576 37.912 38.460 0.046 0.000 1.021 211 Y HN -0.112 nan 8.280 nan 0.000 0.536 212 V N 1.979 121.967 119.914 0.122 0.000 2.448 212 V HA 0.173 4.294 4.120 0.001 0.000 0.295 212 V C 0.304 176.390 176.094 -0.013 0.000 1.025 212 V CA -0.713 61.633 62.300 0.077 0.000 0.859 212 V CB 1.951 33.820 31.823 0.076 0.000 0.988 212 V HN 0.152 nan 8.190 nan 0.000 0.431 213 Q N 2.861 122.628 119.800 -0.054 0.000 2.378 213 Q HA 0.294 4.634 4.340 0.001 0.000 0.229 213 Q C 0.062 175.719 176.000 -0.570 0.000 0.882 213 Q CA 0.515 56.155 55.803 -0.273 0.000 0.936 213 Q CB 1.069 29.651 28.738 -0.259 0.000 1.092 213 Q HN 0.793 nan 8.270 nan 0.000 0.535 214 H N -0.395 118.695 119.070 0.033 0.000 2.974 214 H HA 0.556 5.113 4.556 0.001 0.000 0.366 214 H C -1.245 174.100 175.328 0.029 0.000 1.155 214 H CA -0.649 55.415 56.048 0.026 0.000 1.186 214 H CB 2.382 32.160 29.762 0.028 0.000 1.799 214 H HN -0.191 nan 8.280 nan 0.000 0.541 215 V N 2.601 122.604 119.914 0.147 0.000 2.656 215 V HA 0.412 4.533 4.120 0.001 0.000 0.307 215 V C -0.422 175.715 176.094 0.071 0.000 1.051 215 V CA -0.688 61.662 62.300 0.083 0.000 0.893 215 V CB 2.565 34.412 31.823 0.039 0.000 0.999 215 V HN 0.471 nan 8.190 nan 0.000 0.426 216 V N 5.096 125.045 119.914 0.058 0.000 2.925 216 V HA 0.583 4.704 4.120 0.001 0.000 0.311 216 V C -1.000 175.118 176.094 0.040 0.000 1.104 216 V CA -0.789 61.537 62.300 0.044 0.000 0.954 216 V CB 2.359 34.208 31.823 0.042 0.000 1.022 216 V HN 0.750 nan 8.190 nan 0.000 0.427 217 L N 4.533 125.776 121.223 0.033 0.000 2.305 217 L HA 0.817 5.158 4.340 0.001 0.000 0.281 217 L C 0.436 177.335 176.870 0.048 0.000 1.085 217 L CA 0.868 55.730 54.840 0.035 0.000 0.813 217 L CB 0.966 43.041 42.059 0.027 0.000 1.157 217 L HN 0.746 nan 8.230 nan 0.000 0.436 218 G N 3.349 112.187 108.800 0.064 0.000 2.511 218 G HA2 0.717 4.678 3.960 0.001 0.000 0.318 218 G HA3 0.717 4.678 3.960 0.001 0.000 0.318 218 G C -1.146 173.809 174.900 0.091 0.000 1.210 218 G CA -0.398 44.750 45.100 0.081 0.000 0.969 218 G HN 0.973 nan 8.290 nan 0.000 0.484 219 A N -0.193 122.689 122.820 0.104 0.000 2.351 219 A HA 0.549 4.870 4.320 0.001 0.000 0.257 219 A C 1.263 178.921 177.584 0.124 0.000 1.087 219 A CA 0.400 52.502 52.037 0.107 0.000 0.798 219 A CB 0.739 19.807 19.000 0.113 0.000 1.033 219 A HN 1.561 nan 8.150 nan 0.000 0.488 220 S N -0.336 115.433 115.700 0.114 0.000 2.666 220 S HA 0.088 4.558 4.470 0.001 0.000 0.239 220 S C 0.815 175.472 174.600 0.096 0.000 1.031 220 S CA 0.091 58.366 58.200 0.125 0.000 1.015 220 S CB 0.072 63.358 63.200 0.144 0.000 0.981 220 S HN 0.735 nan 8.310 nan 0.000 0.547 221 Q N 0.539 120.387 119.800 0.080 0.000 2.384 221 Q HA 0.291 4.632 4.340 0.001 0.000 0.207 221 Q C 0.854 176.881 176.000 0.044 0.000 0.904 221 Q CA 0.381 56.216 55.803 0.054 0.000 0.933 221 Q CB 0.125 28.887 28.738 0.040 0.000 1.077 221 Q HN 0.469 nan 8.270 nan 0.000 0.522 222 E N 0.820 121.067 120.200 0.078 0.000 2.489 222 E HA 0.043 4.394 4.350 0.001 0.000 0.193 222 E C -0.531 176.140 176.600 0.118 0.000 1.057 222 E CA 0.038 56.485 56.400 0.077 0.000 0.866 222 E CB 0.320 30.120 29.700 0.167 0.000 0.916 222 E HN 0.033 nan 8.360 nan 0.000 0.500 223 K N 1.093 121.566 120.400 0.121 0.000 2.484 223 K HA 0.089 4.409 4.320 0.001 0.000 0.280 223 K C -0.095 176.544 176.600 0.066 0.000 1.013 223 K CA 0.497 56.865 56.287 0.134 0.000 1.029 223 K CB 0.532 33.098 32.500 0.109 0.000 0.902 223 K HN -0.046 nan 8.250 nan 0.000 0.481 224 R N 2.846 123.399 120.500 0.087 0.000 2.732 224 R HA 0.530 4.870 4.340 0.001 0.000 0.278 224 R C -0.484 175.836 176.300 0.034 0.000 0.976 224 R CA -0.832 55.261 56.100 -0.011 0.000 0.963 224 R CB 1.292 31.504 30.300 -0.147 0.000 1.150 224 R HN 0.487 nan 8.270 nan 0.000 0.478 225 I N 1.128 121.698 120.570 -0.000 0.000 2.436 225 I HA 0.150 4.321 4.170 0.001 0.000 0.289 225 I C 1.035 177.161 176.117 0.014 0.000 1.010 225 I CA -0.310 61.002 61.300 0.019 0.000 1.098 225 I CB 2.107 40.112 38.000 0.009 0.000 1.266 225 I HN 0.776 nan 8.210 nan 0.000 0.434 226 E N 5.612 125.832 120.200 0.034 0.000 2.033 226 E HA 0.038 4.388 4.350 0.001 0.000 0.189 226 E C 0.103 176.716 176.600 0.021 0.000 0.979 226 E CA 1.017 57.436 56.400 0.031 0.000 0.802 226 E CB 0.499 30.225 29.700 0.043 0.000 0.763 226 E HN 0.452 nan 8.360 nan 0.000 0.449 227 K N 1.109 121.524 120.400 0.026 0.000 2.425 227 K HA 0.333 4.653 4.320 0.001 0.000 0.259 227 K C -0.837 175.772 176.600 0.015 0.000 0.978 227 K CA -0.444 55.854 56.287 0.019 0.000 0.883 227 K CB 1.717 34.231 32.500 0.023 0.000 1.110 227 K HN -0.039 nan 8.250 nan 0.000 0.436 228 R N 2.130 122.635 120.500 0.007 0.000 3.266 228 R HA 0.089 4.430 4.340 0.001 0.000 0.224 228 R C -0.596 175.706 176.300 0.004 0.000 1.525 228 R CA 0.032 56.134 56.100 0.004 0.000 1.364 228 R CB -0.009 30.289 30.300 -0.002 0.000 1.276 228 R HN 0.441 nan 8.270 nan 0.000 0.660 229 T N 2.324 116.882 114.554 0.006 0.000 2.811 229 T HA 0.246 4.596 4.350 0.001 0.000 0.309 229 T C 0.123 174.824 174.700 0.003 0.000 1.005 229 T CA -0.588 61.515 62.100 0.005 0.000 0.955 229 T CB 0.754 69.627 68.868 0.008 0.000 0.970 229 T HN 0.234 nan 8.240 nan 0.000 0.496 230 V N 1.402 121.316 119.914 0.001 0.000 2.680 230 V HA 0.607 4.728 4.120 0.001 0.000 0.309 230 V C -0.143 175.951 176.094 -0.001 0.000 1.052 230 V CA -1.152 61.147 62.300 -0.001 0.000 0.908 230 V CB 1.935 33.757 31.823 -0.002 0.000 1.001 230 V HN 0.538 nan 8.190 nan 0.000 0.431 231 Q N 0.000 119.799 119.800 -0.002 0.000 2.315 231 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 231 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 231 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 231 Q HN 0.000 nan 8.270 nan 0.000 0.481