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 1ulu_1_A DATA FIRST_RESID 2 DATA SEQUENCE LTVDLSGKKA LVXGVTNQRS LGFAIAAKLK EAGAEVALSY QAERLRPEAE DATA SEQUENCE KLAEALGGAL LFRADVTQDE ELDALFAGVK EAFGGLDYLV HAIAFAPREA DATA SEQUENCE XEGRYIDTRR QDWLLALEVS AYSLVAVARR AEPLLREGGG IVTLTYYASE DATA SEQUENCE KVVPKYNVXA IAKAALEASV RYLAYELGPK GVRVNAISAG PVXXXXXXXX DATA SEQUENCE XXFTKXYDRV AQTAPLRRNI TQEEVGNLGL FLLSPLASGI TGEVVYVDAG DATA SEQUENCE YHIXG 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 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.882 176.870 0.019 0.000 1.165 2 L CA 0.000 54.851 54.840 0.019 0.000 0.813 2 L CB 0.000 42.074 42.059 0.024 0.000 0.961 3 T N 0.888 115.454 114.554 0.021 0.000 2.861 3 T HA 0.788 5.148 4.350 0.017 0.000 0.287 3 T C -1.009 173.704 174.700 0.023 0.000 1.003 3 T CA -0.714 61.398 62.100 0.019 0.000 0.977 3 T CB 1.703 70.580 68.868 0.015 0.000 0.996 3 T HN 0.503 nan 8.240 nan 0.000 0.448 4 V N 3.337 123.265 119.914 0.023 0.000 2.294 4 V HA 0.415 4.545 4.120 0.017 0.000 0.272 4 V C -0.395 175.710 176.094 0.018 0.000 1.027 4 V CA -0.597 61.717 62.300 0.023 0.000 0.823 4 V CB 0.710 32.549 31.823 0.026 0.000 1.030 4 V HN 1.024 nan 8.190 nan 0.000 0.457 5 D N 4.801 125.212 120.400 0.019 0.000 2.427 5 D HA 0.366 5.016 4.640 0.017 0.000 0.226 5 D C 0.366 176.682 176.300 0.027 0.000 1.076 5 D CA -0.261 53.749 54.000 0.018 0.000 0.849 5 D CB 1.321 42.129 40.800 0.013 0.000 1.052 5 D HN 0.425 nan 8.370 nan 0.000 0.515 6 L N 2.637 123.881 121.223 0.034 0.000 2.791 6 L HA 0.163 4.513 4.340 0.017 0.000 0.239 6 L C 0.772 177.662 176.870 0.033 0.000 1.203 6 L CA -0.400 54.479 54.840 0.065 0.000 1.002 6 L CB -0.278 41.848 42.059 0.112 0.000 1.295 6 L HN 0.316 nan 8.230 nan 0.000 0.504 7 S N -0.411 115.294 115.700 0.008 0.000 2.560 7 S HA 0.351 4.831 4.470 0.017 0.000 0.284 7 S C 1.376 175.958 174.600 -0.032 0.000 1.327 7 S CA 0.298 58.490 58.200 -0.014 0.000 1.055 7 S CB 1.312 64.505 63.200 -0.012 0.000 0.868 7 S HN 0.564 nan 8.310 nan 0.000 0.506 8 G N 1.385 110.149 108.800 -0.060 0.000 2.253 8 G HA2 -0.222 3.748 3.960 0.017 0.000 0.251 8 G HA3 -0.222 3.748 3.960 0.017 0.000 0.251 8 G C 0.026 174.848 174.900 -0.131 0.000 0.998 8 G CA 0.226 45.277 45.100 -0.083 0.000 0.621 8 G HN 0.745 nan 8.290 nan 0.000 0.524 9 K N 0.818 121.145 120.400 -0.123 0.000 2.185 9 K HA 0.562 4.893 4.320 0.017 0.000 0.271 9 K C 0.097 176.524 176.600 -0.288 0.000 1.013 9 K CA -0.197 55.966 56.287 -0.207 0.000 0.943 9 K CB 1.144 33.585 32.500 -0.098 0.000 0.998 9 K HN 0.137 nan 8.250 nan 0.000 0.468 10 K N 0.972 121.126 120.400 -0.409 0.000 2.292 10 K HA 0.563 4.893 4.320 0.017 0.000 0.257 10 K C -0.751 175.702 176.600 -0.244 0.000 0.940 10 K CA -0.693 55.313 56.287 -0.469 0.000 0.811 10 K CB 2.191 34.331 32.500 -0.601 0.000 1.120 10 K HN 0.692 nan 8.250 nan 0.000 0.428 11 A N 2.767 125.562 122.820 -0.042 0.000 2.365 11 A HA 0.699 5.029 4.320 0.017 0.000 0.318 11 A C -1.441 176.285 177.584 0.237 0.000 1.091 11 A CA -0.738 51.389 52.037 0.151 0.000 0.763 11 A CB 1.146 20.286 19.000 0.234 0.000 1.248 11 A HN 0.538 nan 8.150 nan 0.000 0.442 12 L N 3.238 124.584 121.223 0.205 0.000 2.319 12 L HA 0.718 5.068 4.340 0.017 0.000 0.281 12 L C -0.819 176.128 176.870 0.128 0.000 1.005 12 L CA -0.175 54.762 54.840 0.162 0.000 0.828 12 L CB 1.387 43.496 42.059 0.083 0.000 1.227 12 L HN 0.494 nan 8.230 nan 0.000 0.415 16 V N 2.181 122.121 119.914 0.043 0.000 2.439 16 V HA 0.565 4.695 4.120 0.017 0.000 0.282 16 V C 1.252 177.388 176.094 0.070 0.000 1.039 16 V CA 0.821 63.167 62.300 0.077 0.000 0.913 16 V CB 1.354 33.259 31.823 0.137 0.000 0.983 16 V HN 0.430 nan 8.190 nan 0.000 0.460 17 T N -0.274 114.305 114.554 0.043 0.000 3.016 17 T HA 0.252 4.613 4.350 0.017 0.000 0.271 17 T C 0.359 175.047 174.700 -0.020 0.000 0.968 17 T CA -0.199 61.911 62.100 0.016 0.000 0.891 17 T CB 0.148 69.016 68.868 0.000 0.000 1.149 17 T HN 0.496 nan 8.240 nan 0.000 0.524 18 N N 0.359 119.039 118.700 -0.034 0.000 2.396 18 N HA 0.258 5.009 4.740 0.017 0.000 0.275 18 N C 0.042 175.408 175.510 -0.239 0.000 1.218 18 N CA -0.365 52.613 53.050 -0.120 0.000 0.812 18 N CB 2.392 40.816 38.487 -0.106 0.000 1.592 18 N HN 0.065 nan 8.380 nan 0.000 0.480 19 Q N 0.298 119.810 119.800 -0.481 0.000 2.291 19 Q HA 0.086 4.436 4.340 0.017 0.000 0.205 19 Q C 0.050 175.757 176.000 -0.488 0.000 0.970 19 Q CA 0.926 56.112 55.803 -1.027 0.000 0.876 19 Q CB 0.314 28.492 28.738 -0.934 0.000 0.935 19 Q HN 0.164 nan 8.270 nan 0.000 0.455 20 R N 1.571 121.926 120.500 -0.241 0.000 3.570 20 R HA 0.181 4.532 4.340 0.017 0.000 0.233 20 R C -0.589 175.681 176.300 -0.051 0.000 1.492 20 R CA 0.054 56.089 56.100 -0.110 0.000 1.504 20 R CB 0.308 30.543 30.300 -0.107 0.000 1.314 20 R HN 0.109 nan 8.270 nan 0.000 0.687 21 S N -1.116 114.596 115.700 0.021 0.000 2.570 21 S HA 0.340 4.821 4.470 0.017 0.000 0.270 21 S C 0.914 175.581 174.600 0.111 0.000 1.149 21 S CA -0.961 57.271 58.200 0.052 0.000 0.837 21 S CB 1.328 64.560 63.200 0.052 0.000 1.124 21 S HN 0.245 nan 8.310 nan 0.000 0.465 22 L N 1.110 122.384 121.223 0.086 0.000 2.083 22 L HA 0.080 4.430 4.340 0.017 0.000 0.209 22 L C 2.736 179.664 176.870 0.097 0.000 1.083 22 L CA 1.765 56.660 54.840 0.091 0.000 0.752 22 L CB -1.195 40.910 42.059 0.076 0.000 0.899 22 L HN 0.989 nan 8.230 nan 0.000 0.433 23 G N -0.231 108.626 108.800 0.096 0.000 2.422 23 G HA2 -0.321 3.649 3.960 0.017 0.000 0.218 23 G HA3 -0.321 3.649 3.960 0.017 0.000 0.218 23 G C 1.502 176.464 174.900 0.104 0.000 1.146 23 G CA 0.478 45.629 45.100 0.086 0.000 0.769 23 G HN 0.300 nan 8.290 nan 0.000 0.547 24 F N 2.236 122.197 119.950 0.018 0.000 2.259 24 F HA 0.214 4.748 4.527 0.011 0.000 0.298 24 F C 2.713 178.527 175.800 0.022 0.000 1.088 24 F CA 1.017 59.029 58.000 0.019 0.000 1.358 24 F CB -0.064 38.942 39.000 0.010 0.000 1.040 24 F HN 0.214 nan 8.300 nan 0.000 0.505 25 A N 0.748 123.685 122.820 0.196 0.000 1.902 25 A HA -0.145 4.185 4.320 0.017 0.000 0.217 25 A C 2.265 179.844 177.584 -0.008 0.000 1.181 25 A CA 1.950 54.055 52.037 0.113 0.000 0.623 25 A CB -1.129 17.945 19.000 0.124 0.000 0.818 25 A HN 0.484 nan 8.150 nan 0.000 0.443 26 I N -0.340 120.225 120.570 -0.009 0.000 2.202 26 I HA -0.252 3.928 4.170 0.017 0.000 0.242 26 I C 2.986 179.051 176.117 -0.086 0.000 1.091 26 I CA 1.003 62.285 61.300 -0.030 0.000 1.368 26 I CB -0.401 37.596 38.000 -0.004 0.000 1.058 26 I HN 0.349 nan 8.210 nan 0.000 0.410 27 A N 0.890 123.624 122.820 -0.143 0.000 1.908 27 A HA -0.202 4.128 4.320 0.017 0.000 0.218 27 A C 2.549 179.976 177.584 -0.262 0.000 1.181 27 A CA 2.003 53.922 52.037 -0.198 0.000 0.627 27 A CB -0.864 17.972 19.000 -0.274 0.000 0.818 27 A HN 0.443 nan 8.150 nan 0.000 0.445 28 A N -0.546 122.042 122.820 -0.386 0.000 1.902 28 A HA -0.144 4.186 4.320 0.017 0.000 0.217 28 A C 2.100 179.612 177.584 -0.120 0.000 1.181 28 A CA 1.793 53.656 52.037 -0.289 0.000 0.623 28 A CB -0.331 18.525 19.000 -0.240 0.000 0.818 28 A HN 0.348 nan 8.150 nan 0.000 0.443 29 K N -0.223 120.126 120.400 -0.084 0.000 2.097 29 K HA 0.040 4.370 4.320 0.017 0.000 0.205 29 K C 1.886 178.459 176.600 -0.045 0.000 1.050 29 K CA 0.847 57.109 56.287 -0.042 0.000 0.938 29 K CB -0.584 31.902 32.500 -0.024 0.000 0.718 29 K HN 0.550 nan 8.250 nan 0.000 0.442 30 L N 0.681 121.868 121.223 -0.060 0.000 2.083 30 L HA -0.188 4.162 4.340 0.017 0.000 0.209 30 L C 2.490 179.348 176.870 -0.020 0.000 1.083 30 L CA 1.145 55.962 54.840 -0.038 0.000 0.752 30 L CB -0.312 41.736 42.059 -0.020 0.000 0.899 30 L HN 0.069 nan 8.230 nan 0.000 0.433 31 K N 0.525 120.899 120.400 -0.043 0.000 2.057 31 K HA -0.206 4.124 4.320 0.017 0.000 0.206 31 K C 1.994 178.582 176.600 -0.021 0.000 1.050 31 K CA 1.351 57.618 56.287 -0.034 0.000 0.935 31 K CB -0.089 32.377 32.500 -0.057 0.000 0.715 31 K HN 0.182 nan 8.250 nan 0.000 0.439 32 E N -0.629 119.557 120.200 -0.024 0.000 2.118 32 E HA -0.175 4.185 4.350 0.017 0.000 0.195 32 E C 1.419 178.017 176.600 -0.004 0.000 0.992 32 E CA 1.089 57.483 56.400 -0.010 0.000 0.804 32 E CB -0.132 29.564 29.700 -0.007 0.000 0.741 32 E HN 0.412 nan 8.360 nan 0.000 0.458 33 A N -0.371 122.446 122.820 -0.005 0.000 2.168 33 A HA 0.138 4.469 4.320 0.017 0.000 0.215 33 A C 1.733 179.322 177.584 0.008 0.000 1.152 33 A CA 1.209 53.247 52.037 0.002 0.000 0.716 33 A CB -0.178 18.820 19.000 -0.002 0.000 0.794 33 A HN 0.483 nan 8.150 nan 0.000 0.465 34 G N -2.700 106.102 108.800 0.004 0.000 2.192 34 G HA2 0.186 4.157 3.960 0.017 0.000 0.193 34 G HA3 0.186 4.157 3.960 0.017 0.000 0.193 34 G C 0.381 175.278 174.900 -0.004 0.000 0.999 34 G CA 0.127 45.227 45.100 0.001 0.000 0.659 34 G HN 1.435 nan 8.290 nan 0.000 0.503 35 A N 0.063 122.889 122.820 0.010 0.000 2.304 35 A HA 0.678 5.008 4.320 0.017 0.000 0.271 35 A C 0.306 177.865 177.584 -0.042 0.000 1.091 35 A CA -0.082 51.954 52.037 -0.002 0.000 0.812 35 A CB 0.532 19.585 19.000 0.089 0.000 1.056 35 A HN 0.186 nan 8.150 nan 0.000 0.489 36 E N 0.263 120.390 120.200 -0.121 0.000 2.216 36 E HA 0.486 4.846 4.350 0.017 0.000 0.279 36 E C -0.934 175.619 176.600 -0.078 0.000 0.997 36 E CA -0.271 56.052 56.400 -0.128 0.000 0.817 36 E CB 1.696 31.235 29.700 -0.268 0.000 1.096 36 E HN 0.318 nan 8.360 nan 0.000 0.393 37 V N 1.279 121.238 119.914 0.075 0.000 2.715 37 V HA 0.700 4.830 4.120 0.017 0.000 0.310 37 V C -0.244 176.046 176.094 0.327 0.000 1.054 37 V CA -0.877 61.525 62.300 0.170 0.000 0.928 37 V CB 1.843 33.711 31.823 0.075 0.000 1.007 37 V HN 0.743 nan 8.190 nan 0.000 0.437 38 A N 4.880 127.917 122.820 0.363 0.000 2.343 38 A HA 0.900 5.230 4.320 0.017 0.000 0.316 38 A C -1.137 176.565 177.584 0.196 0.000 1.104 38 A CA -0.512 51.700 52.037 0.293 0.000 0.768 38 A CB 1.010 20.179 19.000 0.282 0.000 1.213 38 A HN 0.767 nan 8.150 nan 0.000 0.456 39 L N 2.452 123.773 121.223 0.163 0.000 2.341 39 L HA 0.491 4.841 4.340 0.017 0.000 0.278 39 L C 0.537 177.521 176.870 0.190 0.000 1.005 39 L CA -0.603 54.325 54.840 0.147 0.000 0.818 39 L CB 2.244 44.378 42.059 0.125 0.000 1.259 39 L HN 0.868 nan 8.230 nan 0.000 0.418 40 S N 1.716 117.500 115.700 0.139 0.000 2.610 40 S HA 0.663 5.144 4.470 0.017 0.000 0.273 40 S C -0.850 173.853 174.600 0.172 0.000 1.274 40 S CA -0.529 57.734 58.200 0.105 0.000 1.023 40 S CB 1.225 64.419 63.200 -0.009 0.000 0.962 40 S HN 0.465 nan 8.310 nan 0.000 0.523 41 Y N -1.302 119.005 120.300 0.012 0.000 2.492 41 Y HA 0.517 5.077 4.550 0.017 0.000 0.346 41 Y C 0.949 176.842 175.900 -0.011 0.000 0.997 41 Y CA -1.289 56.808 58.100 -0.005 0.000 1.025 41 Y CB 1.187 39.641 38.460 -0.010 0.000 1.263 41 Y HN 0.671 nan 8.280 nan 0.000 0.454 42 Q N 2.259 122.086 119.800 0.044 0.000 2.050 42 Q HA 0.177 4.527 4.340 0.017 0.000 0.202 42 Q C -0.152 175.815 176.000 -0.056 0.000 0.980 42 Q CA 1.865 57.645 55.803 -0.038 0.000 0.840 42 Q CB 0.029 28.750 28.738 -0.028 0.000 0.898 42 Q HN 0.900 nan 8.270 nan 0.000 0.424 43 A N -0.749 122.100 122.820 0.049 0.000 2.587 43 A HA 0.304 4.634 4.320 0.017 0.000 0.293 43 A C -0.167 177.536 177.584 0.199 0.000 1.087 43 A CA -0.434 51.633 52.037 0.049 0.000 0.692 43 A CB 1.351 20.365 19.000 0.023 0.000 1.291 43 A HN 0.165 nan 8.150 nan 0.000 0.407 44 E N 0.622 120.919 120.200 0.162 0.000 2.219 44 E HA -0.233 4.127 4.350 0.017 0.000 0.198 44 E C 1.828 178.504 176.600 0.126 0.000 0.998 44 E CA 2.204 58.735 56.400 0.219 0.000 0.818 44 E CB -0.192 29.576 29.700 0.112 0.000 0.741 44 E HN 0.657 nan 8.360 nan 0.000 0.477 45 R N -0.352 120.194 120.500 0.077 0.000 2.316 45 R HA 0.001 4.351 4.340 0.017 0.000 0.202 45 R C 1.449 177.761 176.300 0.020 0.000 1.029 45 R CA 0.994 57.113 56.100 0.032 0.000 1.018 45 R CB -0.230 30.080 30.300 0.018 0.000 0.888 45 R HN 0.207 nan 8.270 nan 0.000 0.471 46 L N 0.143 121.402 121.223 0.060 0.000 2.693 46 L HA 0.283 4.634 4.340 0.017 0.000 0.235 46 L C 2.138 178.939 176.870 -0.114 0.000 1.127 46 L CA -0.326 54.528 54.840 0.024 0.000 0.914 46 L CB 0.107 42.224 42.059 0.097 0.000 1.193 46 L HN 0.079 nan 8.230 nan 0.000 0.502 47 R N 2.063 122.436 120.500 -0.213 0.000 2.096 47 R HA -0.134 4.216 4.340 0.017 0.000 0.240 47 R C -0.553 175.528 176.300 -0.365 0.000 1.139 47 R CA 1.990 57.745 56.100 -0.576 0.000 0.952 47 R CB -1.374 28.713 30.300 -0.355 0.000 0.854 47 R HN 0.166 nan 8.270 nan 0.000 0.436 48 P HA -0.194 nan 4.420 nan 0.000 0.216 48 P C 0.757 177.980 177.300 -0.130 0.000 1.150 48 P CA 1.487 64.502 63.100 -0.141 0.000 0.837 48 P CB -0.078 31.567 31.700 -0.092 0.000 0.786 49 E N 0.255 120.383 120.200 -0.121 0.000 2.072 49 E HA -0.145 4.215 4.350 0.017 0.000 0.191 49 E C 2.093 178.634 176.600 -0.099 0.000 0.985 49 E CA 1.127 57.472 56.400 -0.091 0.000 0.801 49 E CB -0.410 29.251 29.700 -0.064 0.000 0.750 49 E HN 0.090 nan 8.360 nan 0.000 0.452 50 A N 1.124 123.848 122.820 -0.161 0.000 1.902 50 A HA -0.209 4.122 4.320 0.017 0.000 0.217 50 A C 1.909 179.416 177.584 -0.128 0.000 1.181 50 A CA 1.569 53.515 52.037 -0.152 0.000 0.623 50 A CB -0.491 18.308 19.000 -0.335 0.000 0.818 50 A HN 0.320 nan 8.150 nan 0.000 0.443 51 E N -0.108 119.988 120.200 -0.174 0.000 2.085 51 E HA -0.208 4.153 4.350 0.017 0.000 0.194 51 E C 2.012 178.576 176.600 -0.060 0.000 0.994 51 E CA 1.454 57.782 56.400 -0.120 0.000 0.801 51 E CB -0.138 29.485 29.700 -0.129 0.000 0.743 51 E HN 0.584 nan 8.360 nan 0.000 0.453 52 K N 0.367 120.732 120.400 -0.058 0.000 2.097 52 K HA -0.099 4.231 4.320 0.017 0.000 0.205 52 K C 2.184 178.786 176.600 0.003 0.000 1.050 52 K CA 0.775 57.041 56.287 -0.035 0.000 0.938 52 K CB -0.052 32.417 32.500 -0.052 0.000 0.718 52 K HN 0.137 nan 8.250 nan 0.000 0.442 53 L N 0.455 121.692 121.223 0.023 0.000 2.056 53 L HA -0.156 4.194 4.340 0.017 0.000 0.207 53 L C 2.621 179.604 176.870 0.189 0.000 1.078 53 L CA 1.048 55.972 54.840 0.140 0.000 0.749 53 L CB -0.627 41.528 42.059 0.161 0.000 0.901 53 L HN 0.180 nan 8.230 nan 0.000 0.433 54 A N -0.017 122.854 122.820 0.085 0.000 1.908 54 A HA -0.282 4.049 4.320 0.017 0.000 0.218 54 A C 2.270 179.890 177.584 0.060 0.000 1.181 54 A CA 2.055 54.128 52.037 0.059 0.000 0.627 54 A CB -0.545 18.458 19.000 0.005 0.000 0.818 54 A HN 0.493 nan 8.150 nan 0.000 0.445 55 E N -0.249 119.977 120.200 0.044 0.000 2.072 55 E HA -0.079 4.281 4.350 0.017 0.000 0.191 55 E C 2.086 178.728 176.600 0.071 0.000 0.985 55 E CA 0.946 57.368 56.400 0.038 0.000 0.801 55 E CB -0.267 29.440 29.700 0.013 0.000 0.750 55 E HN 0.529 nan 8.360 nan 0.000 0.452 56 A N 0.870 123.757 122.820 0.113 0.000 1.972 56 A HA -0.125 4.205 4.320 0.017 0.000 0.219 56 A C 2.095 179.825 177.584 0.242 0.000 1.169 56 A CA 0.968 53.109 52.037 0.174 0.000 0.635 56 A CB -0.481 18.628 19.000 0.182 0.000 0.810 56 A HN 0.333 nan 8.150 nan 0.000 0.446 57 L N -1.560 119.785 121.223 0.205 0.000 2.492 57 L HA 0.140 4.490 4.340 0.017 0.000 0.223 57 L C 1.638 178.530 176.870 0.037 0.000 1.132 57 L CA 0.603 55.483 54.840 0.066 0.000 0.850 57 L CB -0.200 41.841 42.059 -0.031 0.000 0.966 57 L HN 0.604 nan 8.230 nan 0.000 0.454 58 G N -0.098 108.732 108.800 0.051 0.000 2.130 58 G HA2 -0.033 3.937 3.960 0.017 0.000 0.216 58 G HA3 -0.033 3.937 3.960 0.017 0.000 0.216 58 G C 0.452 175.366 174.900 0.023 0.000 0.999 58 G CA -0.137 44.981 45.100 0.031 0.000 0.686 58 G HN 0.794 nan 8.290 nan 0.000 0.515 59 G N -1.706 107.110 108.800 0.027 0.000 3.326 59 G HA2 0.605 4.575 3.960 0.017 0.000 0.681 59 G HA3 0.605 4.575 3.960 0.017 0.000 0.681 59 G C -0.311 174.609 174.900 0.033 0.000 1.255 59 G CA 0.915 46.029 45.100 0.024 0.000 0.976 59 G HN 2.499 nan 8.290 nan 0.000 0.563 60 A N 1.347 124.187 122.820 0.034 0.000 2.604 60 A HA 0.903 5.233 4.320 0.017 0.000 0.295 60 A C -1.027 176.573 177.584 0.027 0.000 1.067 60 A CA -0.595 51.477 52.037 0.058 0.000 0.683 60 A CB 1.848 20.882 19.000 0.056 0.000 1.281 60 A HN 2.172 nan 8.150 nan 0.000 0.407 61 L N 1.426 122.677 121.223 0.047 0.000 2.326 61 L HA 0.693 5.043 4.340 0.017 0.000 0.278 61 L C -0.729 176.033 176.870 -0.181 0.000 1.092 61 L CA -0.111 54.665 54.840 -0.108 0.000 0.810 61 L CB 0.684 42.668 42.059 -0.125 0.000 1.153 61 L HN 0.601 nan 8.230 nan 0.000 0.439 62 L N 4.825 125.854 121.223 -0.322 0.000 2.331 62 L HA 0.564 4.914 4.340 0.017 0.000 0.275 62 L C -1.207 175.417 176.870 -0.411 0.000 1.022 62 L CA -0.518 54.222 54.840 -0.168 0.000 0.812 62 L CB 1.483 43.512 42.059 -0.050 0.000 1.257 62 L HN 0.447 nan 8.230 nan 0.000 0.435 63 F N 0.684 120.722 119.950 0.146 0.000 2.574 63 F HA 0.435 4.972 4.527 0.016 0.000 0.313 63 F C -0.035 175.482 175.800 -0.473 0.000 1.130 63 F CA -0.632 57.312 58.000 -0.094 0.000 0.936 63 F CB 1.887 40.773 39.000 -0.189 0.000 1.219 63 F HN 0.348 nan 8.300 nan 0.000 0.445 64 R N 2.507 122.677 120.500 -0.550 0.000 2.308 64 R HA 0.845 5.195 4.340 0.017 0.000 0.305 64 R C -1.315 174.742 176.300 -0.404 0.000 1.053 64 R CA -0.239 55.275 56.100 -0.976 0.000 0.957 64 R CB 0.861 30.721 30.300 -0.732 0.000 1.022 64 R HN 0.833 nan 8.270 nan 0.000 0.461 65 A N 4.069 126.684 122.820 -0.340 0.000 2.547 65 A HA 0.161 4.491 4.320 0.017 0.000 0.300 65 A C -1.837 175.676 177.584 -0.118 0.000 1.061 65 A CA -0.871 51.063 52.037 -0.172 0.000 0.808 65 A CB 1.366 20.282 19.000 -0.140 0.000 1.304 65 A HN 0.769 nan 8.150 nan 0.000 0.393 66 D N 2.709 123.063 120.400 -0.077 0.000 2.274 66 D HA 0.299 4.950 4.640 0.017 0.000 0.239 66 D C 1.436 177.728 176.300 -0.013 0.000 1.104 66 D CA 0.222 54.191 54.000 -0.052 0.000 0.840 66 D CB 1.893 42.664 40.800 -0.048 0.000 1.100 66 D HN 0.827 nan 8.370 nan 0.000 0.477 67 V N 2.200 122.115 119.914 0.002 0.000 3.383 67 V HA -0.104 4.027 4.120 0.017 0.000 0.272 67 V C 1.553 177.696 176.094 0.082 0.000 1.181 67 V CA 1.889 64.219 62.300 0.049 0.000 1.171 67 V CB -1.303 30.558 31.823 0.063 0.000 0.800 67 V HN 0.665 nan 8.190 nan 0.000 0.515 68 T N -3.415 111.172 114.554 0.055 0.000 3.060 68 T HA 0.187 4.547 4.350 0.017 0.000 0.249 68 T C 0.742 175.479 174.700 0.063 0.000 1.079 68 T CA -0.056 62.088 62.100 0.074 0.000 1.013 68 T CB -0.042 68.852 68.868 0.044 0.000 0.975 68 T HN 0.511 nan 8.240 nan 0.000 0.518 69 Q N 1.897 121.725 119.800 0.046 0.000 2.425 69 Q HA 0.307 4.658 4.340 0.017 0.000 0.254 69 Q C -0.155 175.874 176.000 0.050 0.000 1.032 69 Q CA -0.410 55.414 55.803 0.036 0.000 0.798 69 Q CB 1.624 30.369 28.738 0.012 0.000 1.210 69 Q HN 0.275 nan 8.270 nan 0.000 0.491 70 D N 1.955 122.393 120.400 0.063 0.000 2.149 70 D HA -0.232 4.418 4.640 0.017 0.000 0.198 70 D C 1.418 177.747 176.300 0.048 0.000 0.990 70 D CA 1.656 55.697 54.000 0.069 0.000 0.839 70 D CB 0.424 41.267 40.800 0.072 0.000 0.948 70 D HN 0.689 nan 8.370 nan 0.000 0.460 71 E N 1.168 121.387 120.200 0.032 0.000 2.085 71 E HA -0.189 4.171 4.350 0.017 0.000 0.194 71 E C 1.745 178.354 176.600 0.016 0.000 0.994 71 E CA 0.969 57.381 56.400 0.021 0.000 0.801 71 E CB -0.431 29.276 29.700 0.012 0.000 0.743 71 E HN 0.343 nan 8.360 nan 0.000 0.453 72 E N 0.834 121.040 120.200 0.010 0.000 2.152 72 E HA -0.074 4.286 4.350 0.017 0.000 0.192 72 E C 2.234 178.834 176.600 0.001 0.000 0.983 72 E CA 0.686 57.081 56.400 -0.010 0.000 0.818 72 E CB -0.056 29.628 29.700 -0.027 0.000 0.758 72 E HN 0.327 nan 8.360 nan 0.000 0.467 73 L N 1.170 122.421 121.223 0.047 0.000 2.109 73 L HA -0.165 4.186 4.340 0.017 0.000 0.207 73 L C 1.885 178.863 176.870 0.180 0.000 1.086 73 L CA 0.757 55.671 54.840 0.125 0.000 0.760 73 L CB -0.281 41.873 42.059 0.158 0.000 0.910 73 L HN 0.049 nan 8.230 nan 0.000 0.437 74 D N 0.463 120.922 120.400 0.099 0.000 2.097 74 D HA -0.162 4.488 4.640 0.017 0.000 0.195 74 D C 2.246 178.577 176.300 0.051 0.000 0.989 74 D CA 1.545 55.594 54.000 0.082 0.000 0.827 74 D CB -0.052 40.770 40.800 0.036 0.000 0.966 74 D HN 0.290 nan 8.370 nan 0.000 0.456 75 A N 0.975 123.799 122.820 0.007 0.000 1.883 75 A HA -0.161 4.169 4.320 0.017 0.000 0.217 75 A C 2.198 179.713 177.584 -0.115 0.000 1.186 75 A CA 1.322 53.339 52.037 -0.033 0.000 0.624 75 A CB -0.857 18.127 19.000 -0.027 0.000 0.822 75 A HN 0.261 nan 8.150 nan 0.000 0.444 76 L N -1.283 119.840 121.223 -0.166 0.000 1.990 76 L HA -0.160 4.190 4.340 0.017 0.000 0.213 76 L C 2.187 178.666 176.870 -0.652 0.000 1.072 76 L CA 2.301 56.882 54.840 -0.432 0.000 0.755 76 L CB -0.822 40.975 42.059 -0.437 0.000 0.889 76 L HN 0.332 nan 8.230 nan 0.000 0.432 77 F N -0.220 119.566 119.950 -0.273 0.000 2.293 77 F HA -0.022 4.516 4.527 0.018 0.000 0.300 77 F C 2.433 178.096 175.800 -0.229 0.000 1.086 77 F CA 1.004 58.854 58.000 -0.249 0.000 1.375 77 F CB -0.924 37.988 39.000 -0.147 0.000 1.045 77 F HN 0.234 nan 8.300 nan 0.000 0.516 78 A N 0.116 122.904 122.820 -0.054 0.000 1.929 78 A HA 0.011 4.342 4.320 0.017 0.000 0.216 78 A C 2.564 180.065 177.584 -0.138 0.000 1.176 78 A CA 1.561 53.564 52.037 -0.057 0.000 0.628 78 A CB -1.474 17.508 19.000 -0.029 0.000 0.816 78 A HN 0.375 nan 8.150 nan 0.000 0.444 79 G N -0.559 108.078 108.800 -0.271 0.000 2.402 79 G HA2 -0.090 3.880 3.960 0.017 0.000 0.216 79 G HA3 -0.090 3.880 3.960 0.017 0.000 0.216 79 G C 1.488 176.063 174.900 -0.541 0.000 1.162 79 G CA 1.194 46.104 45.100 -0.317 0.000 0.777 79 G HN 0.292 nan 8.290 nan 0.000 0.539 80 V N 0.748 120.146 119.914 -0.859 0.000 2.427 80 V HA -0.135 3.995 4.120 0.017 0.000 0.248 80 V C 2.675 178.620 176.094 -0.249 0.000 1.051 80 V CA 2.217 64.108 62.300 -0.682 0.000 1.048 80 V CB -0.312 31.149 31.823 -0.603 0.000 0.666 80 V HN 0.450 nan 8.190 nan 0.000 0.456 81 K N 0.159 120.480 120.400 -0.131 0.000 2.057 81 K HA -0.265 4.066 4.320 0.017 0.000 0.207 81 K C 2.166 178.770 176.600 0.006 0.000 1.049 81 K CA 1.971 58.250 56.287 -0.013 0.000 0.931 81 K CB -0.071 32.430 32.500 0.003 0.000 0.714 81 K HN 0.413 nan 8.250 nan 0.000 0.440 82 E N 0.313 120.502 120.200 -0.018 0.000 2.106 82 E HA -0.090 4.270 4.350 0.017 0.000 0.192 82 E C 1.529 178.155 176.600 0.044 0.000 0.984 82 E CA 1.529 57.939 56.400 0.017 0.000 0.806 82 E CB -0.120 29.590 29.700 0.017 0.000 0.750 82 E HN 0.396 nan 8.360 nan 0.000 0.458 83 A N -0.928 121.907 122.820 0.026 0.000 1.975 83 A HA 0.049 4.379 4.320 0.017 0.000 0.215 83 A C 1.472 179.195 177.584 0.232 0.000 1.170 83 A CA 0.808 52.877 52.037 0.054 0.000 0.656 83 A CB -0.223 18.764 19.000 -0.021 0.000 0.821 83 A HN 0.311 nan 8.150 nan 0.000 0.449 84 F N -1.704 118.277 119.950 0.051 0.000 2.727 84 F HA 0.345 4.881 4.527 0.015 0.000 0.302 84 F C 2.055 177.857 175.800 0.005 0.000 1.107 84 F CA -0.012 58.003 58.000 0.024 0.000 1.277 84 F CB -0.254 38.755 39.000 0.014 0.000 1.079 84 F HN 0.364 nan 8.300 nan 0.000 0.594 85 G N 0.191 109.104 108.800 0.189 0.000 2.304 85 G HA2 -0.096 3.874 3.960 0.017 0.000 0.252 85 G HA3 -0.096 3.874 3.960 0.017 0.000 0.252 85 G C 0.731 175.679 174.900 0.081 0.000 1.014 85 G CA 0.340 45.500 45.100 0.100 0.000 0.619 85 G HN 0.907 nan 8.290 nan 0.000 0.525 86 G N -1.612 107.258 108.800 0.116 0.000 2.428 86 G HA2 0.665 4.635 3.960 0.017 0.000 0.305 86 G HA3 0.665 4.635 3.960 0.017 0.000 0.305 86 G C -2.134 172.827 174.900 0.102 0.000 1.260 86 G CA 0.154 45.298 45.100 0.074 0.000 0.853 86 G HN 1.324 nan 8.290 nan 0.000 0.480 87 L N -0.444 120.801 121.223 0.037 0.000 2.466 87 L HA 0.684 5.034 4.340 0.017 0.000 0.258 87 L C -0.446 176.358 176.870 -0.111 0.000 0.973 87 L CA -0.550 54.300 54.840 0.017 0.000 0.826 87 L CB 2.284 44.407 42.059 0.108 0.000 1.372 87 L HN 0.627 nan 8.230 nan 0.000 0.409 88 D N 1.359 121.594 120.400 -0.274 0.000 2.716 88 D HA 0.123 4.774 4.640 0.017 0.000 0.273 88 D C -0.804 175.219 176.300 -0.461 0.000 1.024 88 D CA 1.045 54.720 54.000 -0.542 0.000 0.944 88 D CB 0.669 40.830 40.800 -1.066 0.000 1.186 88 D HN 0.293 nan 8.370 nan 0.000 0.485 89 Y N 0.271 120.585 120.300 0.024 0.000 2.499 89 Y HA 0.569 5.130 4.550 0.018 0.000 0.347 89 Y C -0.555 175.385 175.900 0.067 0.000 0.987 89 Y CA -1.291 56.828 58.100 0.031 0.000 1.044 89 Y CB 1.700 40.166 38.460 0.011 0.000 1.245 89 Y HN -0.243 nan 8.280 nan 0.000 0.461 90 L N 2.789 124.154 121.223 0.237 0.000 2.404 90 L HA 0.735 5.085 4.340 0.017 0.000 0.272 90 L C -1.593 175.378 176.870 0.169 0.000 0.980 90 L CA -0.714 54.242 54.840 0.193 0.000 0.836 90 L CB 1.571 43.740 42.059 0.185 0.000 1.238 90 L HN 0.451 nan 8.230 nan 0.000 0.408 91 V N 4.959 124.965 119.914 0.153 0.000 2.328 91 V HA 0.314 4.444 4.120 0.017 0.000 0.278 91 V C -0.203 175.980 176.094 0.148 0.000 1.021 91 V CA -0.566 61.811 62.300 0.128 0.000 0.838 91 V CB 0.914 32.788 31.823 0.086 0.000 0.999 91 V HN 0.722 nan 8.190 nan 0.000 0.447 92 H N 5.424 124.531 119.070 0.062 0.000 2.685 92 H HA 0.537 5.104 4.556 0.018 0.000 0.286 92 H C 0.084 175.445 175.328 0.055 0.000 1.102 92 H CA -0.173 55.910 56.048 0.058 0.000 1.254 92 H CB 1.421 31.213 29.762 0.050 0.000 1.397 92 H HN 0.685 nan 8.280 nan 0.000 0.473 93 A N 7.479 130.202 122.820 -0.161 0.000 2.793 93 A HA 0.278 4.609 4.320 0.017 0.000 0.301 93 A C 0.210 177.688 177.584 -0.176 0.000 1.172 93 A CA -0.466 51.514 52.037 -0.094 0.000 0.973 93 A CB -0.289 18.709 19.000 -0.004 0.000 1.164 93 A HN 0.590 nan 8.150 nan 0.000 0.542 94 I N 1.107 121.410 120.570 -0.445 0.000 2.428 94 I HA 0.560 4.740 4.170 0.017 0.000 0.289 94 I C 0.420 176.480 176.117 -0.095 0.000 1.019 94 I CA -0.070 61.058 61.300 -0.285 0.000 1.351 94 I CB 1.655 39.427 38.000 -0.379 0.000 1.412 94 I HN 0.326 nan 8.210 nan 0.000 0.513 95 A N 6.596 129.427 122.820 0.019 0.000 2.555 95 A HA 0.776 5.107 4.320 0.017 0.000 0.297 95 A C -1.507 176.176 177.584 0.167 0.000 1.060 95 A CA -0.363 51.723 52.037 0.082 0.000 0.710 95 A CB 1.314 20.346 19.000 0.054 0.000 1.282 95 A HN 0.577 nan 8.150 nan 0.000 0.399 96 F N 1.130 121.062 119.950 -0.029 0.000 2.690 96 F HA 0.717 5.253 4.527 0.015 0.000 0.311 96 F C -0.972 174.802 175.800 -0.044 0.000 1.111 96 F CA 0.351 58.328 58.000 -0.038 0.000 1.003 96 F CB 1.514 40.500 39.000 -0.023 0.000 1.283 96 F HN 1.488 nan 8.300 nan 0.000 0.442 97 A N 5.271 127.342 122.820 -1.248 0.000 2.488 97 A HA 0.769 5.099 4.320 0.017 0.000 0.295 97 A C -3.132 173.744 177.584 -1.180 0.000 1.045 97 A CA -1.655 49.807 52.037 -0.959 0.000 0.703 97 A CB 1.396 20.120 19.000 -0.459 0.000 1.271 97 A HN 0.434 nan 8.150 nan 0.000 0.400 98 P HA 0.133 nan 4.420 nan 0.000 0.267 98 P C 0.697 177.868 177.300 -0.215 0.000 1.200 98 P CA -0.088 62.803 63.100 -0.349 0.000 0.772 98 P CB 0.533 32.187 31.700 -0.077 0.000 0.855 99 R N 1.835 122.281 120.500 -0.091 0.000 2.105 99 R HA -0.176 4.174 4.340 0.017 0.000 0.239 99 R C 1.787 178.063 176.300 -0.041 0.000 1.135 99 R CA 1.241 57.307 56.100 -0.057 0.000 0.967 99 R CB -0.434 29.862 30.300 -0.007 0.000 0.861 99 R HN 0.545 nan 8.270 nan 0.000 0.442 100 E N 1.064 121.252 120.200 -0.019 0.000 2.085 100 E HA -0.118 4.242 4.350 0.017 0.000 0.194 100 E C 1.088 177.686 176.600 -0.002 0.000 0.994 100 E CA 1.102 57.501 56.400 -0.002 0.000 0.801 100 E CB -0.239 29.469 29.700 0.013 0.000 0.743 100 E HN 0.348 nan 8.360 nan 0.000 0.453 104 G N 2.331 111.154 108.800 0.038 0.000 2.445 104 G HA2 -0.163 3.807 3.960 0.017 0.000 0.212 104 G HA3 -0.163 3.807 3.960 0.017 0.000 0.212 104 G C -0.900 174.040 174.900 0.067 0.000 1.217 104 G CA -0.418 44.709 45.100 0.045 0.000 1.002 104 G HN 0.634 nan 8.290 nan 0.000 0.574 105 R N -0.813 119.729 120.500 0.069 0.000 2.598 105 R HA 0.541 4.891 4.340 0.017 0.000 0.279 105 R C 0.830 177.212 176.300 0.136 0.000 0.984 105 R CA -0.437 55.724 56.100 0.102 0.000 0.999 105 R CB 1.232 31.577 30.300 0.075 0.000 1.114 105 R HN 0.593 nan 8.270 nan 0.000 0.493 106 Y N 1.901 122.244 120.300 0.071 0.000 2.181 106 Y HA -0.200 4.361 4.550 0.017 0.000 0.288 106 Y C 1.781 177.737 175.900 0.093 0.000 1.146 106 Y CA 1.548 59.707 58.100 0.099 0.000 1.164 106 Y CB -0.099 38.429 38.460 0.114 0.000 0.982 106 Y HN 0.640 nan 8.280 nan 0.000 0.515 107 I N 0.669 121.190 120.570 -0.081 0.000 2.700 107 I HA -0.231 3.949 4.170 0.017 0.000 0.261 107 I C 1.061 177.084 176.117 -0.157 0.000 1.219 107 I CA 1.608 62.803 61.300 -0.176 0.000 1.463 107 I CB -0.578 37.398 38.000 -0.039 0.000 1.092 107 I HN 0.182 nan 8.210 nan 0.000 0.452 108 D N 0.015 120.363 120.400 -0.087 0.000 2.340 108 D HA 0.079 4.729 4.640 0.017 0.000 0.217 108 D C 0.396 176.664 176.300 -0.053 0.000 1.081 108 D CA 0.196 54.161 54.000 -0.058 0.000 0.842 108 D CB -0.113 40.678 40.800 -0.015 0.000 0.934 108 D HN 0.244 nan 8.370 nan 0.000 0.511 109 T N 1.848 116.353 114.554 -0.082 0.000 2.867 109 T HA 0.077 4.437 4.350 0.017 0.000 0.297 109 T C 0.900 175.596 174.700 -0.007 0.000 0.989 109 T CA -0.066 62.033 62.100 -0.001 0.000 1.159 109 T CB 0.902 69.824 68.868 0.091 0.000 0.928 109 T HN -0.025 nan 8.240 nan 0.000 0.538 110 R N 2.107 122.626 120.500 0.032 0.000 2.594 110 R HA 0.188 4.539 4.340 0.017 0.000 0.272 110 R C 1.857 178.193 176.300 0.061 0.000 1.074 110 R CA -0.635 55.479 56.100 0.024 0.000 1.105 110 R CB 0.718 31.037 30.300 0.031 0.000 1.008 110 R HN 0.645 nan 8.270 nan 0.000 0.472 111 R N 1.506 122.017 120.500 0.018 0.000 2.094 111 R HA -0.253 4.098 4.340 0.017 0.000 0.239 111 R C 1.599 177.972 176.300 0.122 0.000 1.137 111 R CA 1.822 57.942 56.100 0.033 0.000 0.943 111 R CB 0.043 30.334 30.300 -0.014 0.000 0.850 111 R HN 0.561 nan 8.270 nan 0.000 0.433 112 Q N 0.537 120.392 119.800 0.092 0.000 2.096 112 Q HA -0.165 4.186 4.340 0.017 0.000 0.204 112 Q C 1.753 177.834 176.000 0.135 0.000 0.982 112 Q CA 1.630 57.496 55.803 0.104 0.000 0.850 112 Q CB -0.337 28.445 28.738 0.073 0.000 0.901 112 Q HN 0.498 nan 8.270 nan 0.000 0.422 113 D N -0.738 119.740 120.400 0.129 0.000 2.144 113 D HA -0.143 4.507 4.640 0.017 0.000 0.200 113 D C 1.632 178.022 176.300 0.150 0.000 0.978 113 D CA 0.571 54.639 54.000 0.114 0.000 0.833 113 D CB -0.415 40.431 40.800 0.077 0.000 0.961 113 D HN 0.320 nan 8.370 nan 0.000 0.470 114 W N 1.486 122.796 121.300 0.016 0.000 2.355 114 W HA -0.093 4.578 4.660 0.019 0.000 0.309 114 W C 2.116 178.665 176.519 0.051 0.000 1.206 114 W CA 1.044 58.411 57.345 0.038 0.000 1.284 114 W CB -0.318 29.155 29.460 0.023 0.000 1.145 114 W HN -0.114 nan 8.180 nan 0.000 0.502 115 L N -0.004 121.482 121.223 0.438 0.000 2.083 115 L HA -0.221 4.129 4.340 0.017 0.000 0.209 115 L C 2.398 179.340 176.870 0.119 0.000 1.083 115 L CA 0.891 55.906 54.840 0.292 0.000 0.752 115 L CB -1.082 41.131 42.059 0.257 0.000 0.899 115 L HN 0.110 nan 8.230 nan 0.000 0.433 116 L N -0.013 121.284 121.223 0.122 0.000 2.056 116 L HA -0.094 4.256 4.340 0.017 0.000 0.207 116 L C 2.625 179.564 176.870 0.116 0.000 1.078 116 L CA 1.895 56.818 54.840 0.138 0.000 0.749 116 L CB -0.705 41.472 42.059 0.197 0.000 0.901 116 L HN 0.137 nan 8.230 nan 0.000 0.433 117 A N -0.657 122.160 122.820 -0.005 0.000 1.877 117 A HA -0.160 4.170 4.320 0.017 0.000 0.216 117 A C 2.158 179.685 177.584 -0.095 0.000 1.186 117 A CA 1.783 53.761 52.037 -0.098 0.000 0.620 117 A CB -0.790 18.076 19.000 -0.224 0.000 0.822 117 A HN 0.402 nan 8.150 nan 0.000 0.443 118 L N -0.361 120.742 121.223 -0.199 0.000 2.093 118 L HA -0.150 4.200 4.340 0.017 0.000 0.208 118 L C 2.506 179.384 176.870 0.014 0.000 1.085 118 L CA 2.227 56.960 54.840 -0.179 0.000 0.755 118 L CB -1.257 40.591 42.059 -0.351 0.000 0.904 118 L HN 0.713 nan 8.230 nan 0.000 0.435 119 E N -0.123 120.114 120.200 0.062 0.000 2.031 119 E HA -0.177 4.183 4.350 0.017 0.000 0.193 119 E C 2.161 178.883 176.600 0.203 0.000 0.994 119 E CA 1.614 58.103 56.400 0.147 0.000 0.800 119 E CB 0.209 29.974 29.700 0.109 0.000 0.752 119 E HN 0.227 nan 8.360 nan 0.000 0.447 120 V N 0.411 120.431 119.914 0.177 0.000 2.407 120 V HA -0.136 3.994 4.120 0.017 0.000 0.245 120 V C 2.283 178.486 176.094 0.181 0.000 1.041 120 V CA 1.759 64.171 62.300 0.187 0.000 1.040 120 V CB -0.061 31.904 31.823 0.237 0.000 0.671 120 V HN 0.221 nan 8.190 nan 0.000 0.455 121 S N -0.393 115.398 115.700 0.151 0.000 2.446 121 S HA 0.188 4.669 4.470 0.017 0.000 0.225 121 S C 1.805 176.502 174.600 0.162 0.000 1.016 121 S CA 1.073 59.359 58.200 0.144 0.000 0.943 121 S CB 0.222 63.466 63.200 0.074 0.000 0.786 121 S HN 0.630 nan 8.310 nan 0.000 0.508 122 A N -0.273 122.617 122.820 0.118 0.000 1.971 122 A HA 0.318 4.649 4.320 0.017 0.000 0.200 122 A C 1.650 179.280 177.584 0.076 0.000 1.658 122 A CA -0.010 52.074 52.037 0.078 0.000 0.962 122 A CB -0.965 18.060 19.000 0.043 0.000 1.053 122 A HN 0.369 nan 8.150 nan 0.000 0.533 123 Y N 2.711 123.026 120.300 0.025 0.000 2.256 123 Y HA -0.243 4.317 4.550 0.017 0.000 0.288 123 Y C 2.722 178.647 175.900 0.043 0.000 1.155 123 Y CA 1.909 60.024 58.100 0.024 0.000 1.203 123 Y CB -0.259 38.219 38.460 0.030 0.000 0.980 123 Y HN 0.414 nan 8.280 nan 0.000 0.530 124 S N -0.306 115.408 115.700 0.023 0.000 2.400 124 S HA -0.245 4.235 4.470 0.017 0.000 0.232 124 S C 1.975 176.539 174.600 -0.059 0.000 1.025 124 S CA 1.387 59.602 58.200 0.024 0.000 0.993 124 S CB -1.098 62.238 63.200 0.227 0.000 0.808 124 S HN 0.476 nan 8.310 nan 0.000 0.478 125 L N 1.771 122.877 121.223 -0.194 0.000 2.056 125 L HA 0.062 4.412 4.340 0.017 0.000 0.207 125 L C 2.444 179.138 176.870 -0.293 0.000 1.078 125 L CA 1.395 55.975 54.840 -0.434 0.000 0.749 125 L CB -0.720 40.975 42.059 -0.606 0.000 0.901 125 L HN 0.234 nan 8.230 nan 0.000 0.433 126 V N 0.158 119.859 119.914 -0.355 0.000 2.295 126 V HA -0.268 3.862 4.120 0.017 0.000 0.246 126 V C 2.828 178.681 176.094 -0.402 0.000 1.049 126 V CA 1.611 63.697 62.300 -0.358 0.000 1.024 126 V CB -1.492 30.082 31.823 -0.414 0.000 0.648 126 V HN 0.595 nan 8.190 nan 0.000 0.447 127 A N 0.651 123.104 122.820 -0.612 0.000 1.883 127 A HA -0.182 4.148 4.320 0.017 0.000 0.217 127 A C 2.382 179.843 177.584 -0.205 0.000 1.186 127 A CA 2.576 54.383 52.037 -0.382 0.000 0.624 127 A CB -0.791 18.021 19.000 -0.314 0.000 0.822 127 A HN 0.675 nan 8.150 nan 0.000 0.444 128 V N -3.000 116.837 119.914 -0.128 0.000 2.591 128 V HA 0.168 4.298 4.120 0.017 0.000 0.249 128 V C 2.473 178.437 176.094 -0.216 0.000 1.053 128 V CA 1.419 63.683 62.300 -0.060 0.000 1.068 128 V CB -1.204 30.750 31.823 0.219 0.000 0.689 128 V HN 0.497 nan 8.190 nan 0.000 0.462 129 A N 0.728 123.446 122.820 -0.169 0.000 1.898 129 A HA -0.153 4.177 4.320 0.017 0.000 0.216 129 A C 2.505 179.962 177.584 -0.211 0.000 1.181 129 A CA 1.925 53.868 52.037 -0.157 0.000 0.620 129 A CB -0.670 18.257 19.000 -0.122 0.000 0.819 129 A HN 0.542 nan 8.150 nan 0.000 0.442 130 R N -0.393 119.973 120.500 -0.223 0.000 2.081 130 R HA -0.099 4.251 4.340 0.017 0.000 0.235 130 R C 2.269 178.395 176.300 -0.289 0.000 1.131 130 R CA 1.580 57.557 56.100 -0.204 0.000 0.960 130 R CB -0.182 30.025 30.300 -0.155 0.000 0.856 130 R HN 0.523 nan 8.270 nan 0.000 0.436 131 R N -0.649 119.566 120.500 -0.476 0.000 2.193 131 R HA 0.045 4.395 4.340 0.017 0.000 0.213 131 R C 2.053 177.828 176.300 -0.874 0.000 1.055 131 R CA 0.915 56.594 56.100 -0.703 0.000 0.995 131 R CB 0.025 29.739 30.300 -0.977 0.000 0.893 131 R HN 0.195 nan 8.270 nan 0.000 0.459 132 A N 1.030 123.370 122.820 -0.801 0.000 2.021 132 A HA -0.115 4.215 4.320 0.017 0.000 0.216 132 A C 1.952 179.434 177.584 -0.169 0.000 1.163 132 A CA 0.695 52.504 52.037 -0.381 0.000 0.676 132 A CB -0.184 18.746 19.000 -0.117 0.000 0.818 132 A HN 0.355 nan 8.150 nan 0.000 0.453 133 E N 0.449 120.540 120.200 -0.182 0.000 2.065 133 E HA -0.215 4.145 4.350 0.017 0.000 0.201 133 E C -0.802 175.748 176.600 -0.084 0.000 1.016 133 E CA 2.008 58.341 56.400 -0.112 0.000 0.818 133 E CB -0.746 28.886 29.700 -0.113 0.000 0.749 133 E HN 0.436 nan 8.360 nan 0.000 0.453 134 P HA -0.117 nan 4.420 nan 0.000 0.220 134 P C 1.037 178.317 177.300 -0.033 0.000 1.148 134 P CA 1.114 64.179 63.100 -0.058 0.000 0.803 134 P CB 0.025 31.688 31.700 -0.061 0.000 0.782 135 L N -2.200 119.010 121.223 -0.022 0.000 2.416 135 L HA 0.080 4.431 4.340 0.017 0.000 0.216 135 L C 0.959 177.834 176.870 0.008 0.000 1.098 135 L CA -0.074 54.776 54.840 0.016 0.000 0.840 135 L CB -0.438 41.667 42.059 0.077 0.000 0.981 135 L HN -0.066 nan 8.230 nan 0.000 0.462 136 L N 1.514 122.733 121.223 -0.008 0.000 2.477 136 L HA 0.065 4.415 4.340 0.017 0.000 0.272 136 L C 0.428 177.279 176.870 -0.032 0.000 1.157 136 L CA 0.153 54.982 54.840 -0.018 0.000 0.889 136 L CB 0.212 42.262 42.059 -0.016 0.000 1.158 136 L HN 0.162 nan 8.230 nan 0.000 0.473 137 R N 2.181 122.651 120.500 -0.049 0.000 2.560 137 R HA 0.180 4.530 4.340 0.017 0.000 0.270 137 R C -0.044 176.231 176.300 -0.041 0.000 1.074 137 R CA -0.749 55.322 56.100 -0.049 0.000 1.140 137 R CB 0.579 30.839 30.300 -0.068 0.000 1.073 137 R HN 0.591 nan 8.270 nan 0.000 0.527 138 E N 0.446 120.626 120.200 -0.032 0.000 2.481 138 E HA 0.048 4.409 4.350 0.017 0.000 0.263 138 E C 0.450 177.040 176.600 -0.016 0.000 0.992 138 E CA 0.368 56.754 56.400 -0.023 0.000 0.938 138 E CB 0.230 29.918 29.700 -0.020 0.000 0.933 138 E HN 0.762 nan 8.360 nan 0.000 0.453 139 G N 2.047 110.845 108.800 -0.003 0.000 2.199 139 G HA2 -0.269 3.701 3.960 0.017 0.000 0.254 139 G HA3 -0.269 3.701 3.960 0.017 0.000 0.254 139 G C 0.556 175.490 174.900 0.056 0.000 0.982 139 G CA -0.057 45.053 45.100 0.018 0.000 0.632 139 G HN 0.979 nan 8.290 nan 0.000 0.529 140 G N -0.500 108.318 108.800 0.030 0.000 2.621 140 G HA2 0.741 4.712 3.960 0.017 0.000 0.271 140 G HA3 0.741 4.712 3.960 0.017 0.000 0.271 140 G C 0.423 175.390 174.900 0.112 0.000 1.236 140 G CA 0.297 45.435 45.100 0.064 0.000 0.958 140 G HN 1.592 nan 8.290 nan 0.000 0.512 141 G N -1.743 107.160 108.800 0.172 0.000 2.523 141 G HA2 0.497 4.467 3.960 0.017 0.000 0.291 141 G HA3 0.497 4.467 3.960 0.017 0.000 0.291 141 G C -1.578 173.397 174.900 0.125 0.000 1.450 141 G CA -0.821 44.349 45.100 0.117 0.000 0.790 141 G HN 0.651 nan 8.290 nan 0.000 0.496 142 I N 0.103 120.716 120.570 0.071 0.000 2.509 142 I HA 0.657 4.837 4.170 0.017 0.000 0.293 142 I C -0.714 175.433 176.117 0.050 0.000 1.020 142 I CA -1.293 60.050 61.300 0.071 0.000 1.088 142 I CB 2.238 40.263 38.000 0.041 0.000 1.267 142 I HN 0.373 nan 8.210 nan 0.000 0.430 143 V N 4.991 124.945 119.914 0.067 0.000 2.686 143 V HA 0.632 4.763 4.120 0.017 0.000 0.306 143 V C -0.604 175.546 176.094 0.093 0.000 1.065 143 V CA 0.044 62.376 62.300 0.053 0.000 0.894 143 V CB 2.298 34.139 31.823 0.030 0.000 1.004 143 V HN 0.877 nan 8.190 nan 0.000 0.424 144 T N 5.970 120.575 114.554 0.086 0.000 2.910 144 T HA 0.736 5.096 4.350 0.017 0.000 0.287 144 T C -1.108 173.660 174.700 0.113 0.000 1.050 144 T CA -0.563 61.629 62.100 0.154 0.000 1.011 144 T CB 1.471 70.418 68.868 0.132 0.000 1.195 144 T HN 0.599 nan 8.240 nan 0.000 0.540 145 L N 1.726 123.035 121.223 0.143 0.000 2.334 145 L HA 0.726 5.076 4.340 0.017 0.000 0.276 145 L C 0.262 177.195 176.870 0.105 0.000 1.014 145 L CA -0.664 54.236 54.840 0.100 0.000 0.815 145 L CB 2.108 44.227 42.059 0.099 0.000 1.268 145 L HN 0.700 nan 8.230 nan 0.000 0.428 146 T N 0.306 114.906 114.554 0.076 0.000 2.696 146 T HA 0.611 4.971 4.350 0.017 0.000 0.291 146 T C -2.032 172.759 174.700 0.151 0.000 1.095 146 T CA -0.320 61.836 62.100 0.094 0.000 1.026 146 T CB 1.583 70.462 68.868 0.019 0.000 1.390 146 T HN 0.430 nan 8.240 nan 0.000 0.513 147 Y N 0.033 120.315 120.300 -0.029 0.000 2.597 147 Y HA 0.452 5.013 4.550 0.018 0.000 0.340 147 Y C 0.086 175.987 175.900 0.002 0.000 1.097 147 Y CA -1.248 56.838 58.100 -0.023 0.000 1.037 147 Y CB 1.054 39.507 38.460 -0.012 0.000 1.305 147 Y HN 0.707 nan 8.280 nan 0.000 0.463 148 Y N 3.108 122.898 120.300 -0.851 0.000 2.298 148 Y HA -0.168 4.392 4.550 0.017 0.000 0.287 148 Y C 1.973 177.582 175.900 -0.485 0.000 1.164 148 Y CA 2.265 60.050 58.100 -0.525 0.000 1.229 148 Y CB -0.673 37.517 38.460 -0.451 0.000 0.977 148 Y HN 0.700 nan 8.280 nan 0.000 0.538 149 A N -0.695 121.696 122.820 -0.715 0.000 2.076 149 A HA -0.188 4.142 4.320 0.017 0.000 0.220 149 A C 2.449 179.832 177.584 -0.335 0.000 1.160 149 A CA 1.751 53.472 52.037 -0.526 0.000 0.653 149 A CB -1.141 17.387 19.000 -0.787 0.000 0.801 149 A HN 0.583 nan 8.150 nan 0.000 0.455 150 S N -0.425 115.134 115.700 -0.236 0.000 2.419 150 S HA -0.145 4.335 4.470 0.017 0.000 0.233 150 S C 1.465 175.993 174.600 -0.119 0.000 1.016 150 S CA 1.429 59.561 58.200 -0.114 0.000 0.974 150 S CB -0.233 62.942 63.200 -0.043 0.000 0.786 150 S HN 0.721 nan 8.310 nan 0.000 0.492 151 E N -0.051 120.038 120.200 -0.184 0.000 2.372 151 E HA 0.230 4.590 4.350 0.017 0.000 0.201 151 E C -0.079 176.358 176.600 -0.273 0.000 0.938 151 E CA 0.187 56.488 56.400 -0.164 0.000 0.944 151 E CB 0.399 30.066 29.700 -0.054 0.000 0.937 151 E HN 0.252 nan 8.360 nan 0.000 0.495 152 K N 1.113 121.213 120.400 -0.500 0.000 2.395 152 K HA 0.396 4.726 4.320 0.017 0.000 0.247 152 K C -0.549 175.852 176.600 -0.331 0.000 0.973 152 K CA -0.913 55.099 56.287 -0.458 0.000 0.828 152 K CB 2.555 34.612 32.500 -0.737 0.000 1.272 152 K HN -0.187 nan 8.250 nan 0.000 0.439 153 V N 2.088 121.890 119.914 -0.187 0.000 2.439 153 V HA 0.121 4.252 4.120 0.017 0.000 0.271 153 V C -0.071 175.991 176.094 -0.054 0.000 1.040 153 V CA -0.529 61.711 62.300 -0.099 0.000 1.002 153 V CB 0.794 32.593 31.823 -0.040 0.000 1.000 153 V HN 0.319 nan 8.190 nan 0.000 0.477 154 V N 8.616 128.518 119.914 -0.021 0.000 2.326 154 V HA 0.335 4.465 4.120 0.017 0.000 0.281 154 V C -1.831 174.347 176.094 0.140 0.000 1.015 154 V CA -1.701 60.645 62.300 0.078 0.000 0.823 154 V CB 1.734 33.627 31.823 0.117 0.000 1.009 154 V HN 0.759 nan 8.190 nan 0.000 0.436 155 P HA 0.069 nan 4.420 nan 0.000 0.265 155 P C 0.095 177.491 177.300 0.161 0.000 1.187 155 P CA 0.143 63.319 63.100 0.126 0.000 0.766 155 P CB 0.450 32.209 31.700 0.099 0.000 0.820 156 K N -0.164 120.324 120.400 0.147 0.000 3.423 156 K HA -0.242 4.089 4.320 0.017 0.000 0.306 156 K C 0.354 177.041 176.600 0.145 0.000 1.331 156 K CA 0.771 57.135 56.287 0.128 0.000 0.905 156 K CB -2.095 30.471 32.500 0.110 0.000 1.332 156 K HN 0.491 nan 8.250 nan 0.000 0.473 157 Y N 0.548 120.887 120.300 0.064 0.000 2.535 157 Y HA 0.077 4.636 4.550 0.015 0.000 0.266 157 Y C 1.066 176.980 175.900 0.023 0.000 1.088 157 Y CA 1.089 59.222 58.100 0.055 0.000 1.285 157 Y CB 0.432 38.951 38.460 0.099 0.000 1.166 157 Y HN 0.285 nan 8.280 nan 0.000 0.525 158 N N -0.830 117.966 118.700 0.161 0.000 1.129 158 N HA -0.370 4.380 4.740 0.017 0.000 0.117 158 N C 0.143 175.674 175.510 0.035 0.000 0.722 158 N CA 1.083 54.212 53.050 0.131 0.000 0.850 158 N CB -1.325 37.280 38.487 0.196 0.000 1.124 158 N HN 0.130 nan 8.380 nan 0.000 0.607 162 I N 1.802 122.336 120.570 -0.059 0.000 2.315 162 I HA -0.046 4.134 4.170 0.017 0.000 0.248 162 I C 2.795 178.878 176.117 -0.058 0.000 1.117 162 I CA 1.793 63.053 61.300 -0.067 0.000 1.404 162 I CB -0.477 37.489 38.000 -0.058 0.000 1.071 162 I HN 0.440 nan 8.210 nan 0.000 0.419 163 A N 0.054 122.823 122.820 -0.084 0.000 1.902 163 A HA -0.175 4.155 4.320 0.017 0.000 0.217 163 A C 2.268 179.857 177.584 0.008 0.000 1.181 163 A CA 1.410 53.401 52.037 -0.077 0.000 0.623 163 A CB -0.375 18.576 19.000 -0.082 0.000 0.818 163 A HN 0.188 nan 8.150 nan 0.000 0.443 164 K N -0.001 120.434 120.400 0.058 0.000 2.148 164 K HA 0.028 4.358 4.320 0.017 0.000 0.204 164 K C 2.185 178.808 176.600 0.038 0.000 1.050 164 K CA 1.213 57.545 56.287 0.075 0.000 0.942 164 K CB -0.778 31.795 32.500 0.122 0.000 0.724 164 K HN 0.458 nan 8.250 nan 0.000 0.446 165 A N 1.415 124.248 122.820 0.021 0.000 1.902 165 A HA -0.065 4.265 4.320 0.017 0.000 0.217 165 A C 2.398 179.999 177.584 0.028 0.000 1.181 165 A CA 1.965 54.013 52.037 0.018 0.000 0.623 165 A CB -0.531 18.476 19.000 0.011 0.000 0.818 165 A HN 0.278 nan 8.150 nan 0.000 0.443 166 A N -0.667 122.166 122.820 0.021 0.000 1.930 166 A HA 0.028 4.358 4.320 0.017 0.000 0.217 166 A C 2.112 179.709 177.584 0.023 0.000 1.175 166 A CA 1.611 53.661 52.037 0.022 0.000 0.627 166 A CB -0.536 18.468 19.000 0.008 0.000 0.815 166 A HN 0.626 nan 8.150 nan 0.000 0.443 167 L N 0.115 121.352 121.223 0.023 0.000 2.027 167 L HA -0.129 4.221 4.340 0.017 0.000 0.206 167 L C 2.168 179.049 176.870 0.017 0.000 1.074 167 L CA 2.386 57.235 54.840 0.014 0.000 0.745 167 L CB -0.609 41.471 42.059 0.036 0.000 0.898 167 L HN 0.508 nan 8.230 nan 0.000 0.433 168 E N -0.494 119.723 120.200 0.029 0.000 2.077 168 E HA -0.201 4.159 4.350 0.017 0.000 0.193 168 E C 2.157 178.795 176.600 0.063 0.000 0.989 168 E CA 1.098 57.519 56.400 0.035 0.000 0.800 168 E CB -0.313 29.406 29.700 0.030 0.000 0.746 168 E HN 0.652 nan 8.360 nan 0.000 0.452 169 A N 0.799 123.663 122.820 0.073 0.000 1.969 169 A HA -0.148 4.182 4.320 0.017 0.000 0.218 169 A C 2.300 179.983 177.584 0.166 0.000 1.169 169 A CA 1.405 53.517 52.037 0.125 0.000 0.635 169 A CB -0.298 18.753 19.000 0.086 0.000 0.810 169 A HN 0.094 nan 8.150 nan 0.000 0.445 170 S N -0.493 115.258 115.700 0.085 0.000 2.383 170 S HA -0.110 4.370 4.470 0.017 0.000 0.227 170 S C 1.864 176.521 174.600 0.095 0.000 1.026 170 S CA 1.277 59.523 58.200 0.076 0.000 0.981 170 S CB -0.373 62.830 63.200 0.005 0.000 0.818 170 S HN 0.339 nan 8.310 nan 0.000 0.472 171 V N 2.027 121.976 119.914 0.058 0.000 2.392 171 V HA -0.198 3.932 4.120 0.017 0.000 0.249 171 V C 2.468 178.608 176.094 0.076 0.000 1.059 171 V CA 1.682 64.007 62.300 0.043 0.000 1.051 171 V CB -0.562 31.274 31.823 0.023 0.000 0.658 171 V HN 0.390 nan 8.190 nan 0.000 0.455 172 R N -1.464 119.101 120.500 0.109 0.000 2.066 172 R HA -0.139 4.211 4.340 0.017 0.000 0.232 172 R C 2.313 178.659 176.300 0.075 0.000 1.131 172 R CA 1.854 58.002 56.100 0.079 0.000 0.955 172 R CB -0.445 29.897 30.300 0.069 0.000 0.851 172 R HN 0.515 nan 8.270 nan 0.000 0.432 173 Y N 0.849 121.189 120.300 0.067 0.000 2.293 173 Y HA -0.134 4.426 4.550 0.016 0.000 0.291 173 Y C 2.194 178.172 175.900 0.130 0.000 1.137 173 Y CA 0.981 59.153 58.100 0.120 0.000 1.202 173 Y CB -0.026 38.487 38.460 0.088 0.000 0.990 173 Y HN 0.002 nan 8.280 nan 0.000 0.537 174 L N -1.286 120.049 121.223 0.187 0.000 2.109 174 L HA -0.168 4.182 4.340 0.017 0.000 0.207 174 L C 2.657 179.555 176.870 0.046 0.000 1.086 174 L CA 0.839 55.729 54.840 0.084 0.000 0.760 174 L CB -0.724 41.353 42.059 0.030 0.000 0.910 174 L HN 0.193 nan 8.230 nan 0.000 0.437 175 A N -0.313 122.541 122.820 0.057 0.000 1.902 175 A HA -0.295 4.035 4.320 0.017 0.000 0.217 175 A C 2.205 179.816 177.584 0.046 0.000 1.181 175 A CA 1.730 53.789 52.037 0.036 0.000 0.623 175 A CB -0.852 18.171 19.000 0.038 0.000 0.818 175 A HN 0.500 nan 8.150 nan 0.000 0.443 176 Y N 0.999 121.265 120.300 -0.056 0.000 2.145 176 Y HA -0.157 4.403 4.550 0.017 0.000 0.286 176 Y C 2.095 177.971 175.900 -0.041 0.000 1.145 176 Y CA 2.134 60.190 58.100 -0.074 0.000 1.148 176 Y CB -0.408 37.962 38.460 -0.149 0.000 0.981 176 Y HN 0.478 nan 8.280 nan 0.000 0.507 177 E N -0.095 119.920 120.200 -0.308 0.000 2.208 177 E HA -0.073 4.287 4.350 0.017 0.000 0.193 177 E C 1.923 178.386 176.600 -0.229 0.000 0.988 177 E CA 1.163 57.335 56.400 -0.380 0.000 0.828 177 E CB -0.052 29.563 29.700 -0.141 0.000 0.763 177 E HN 0.497 nan 8.360 nan 0.000 0.478 178 L N -0.162 120.980 121.223 -0.134 0.000 2.554 178 L HA 0.181 4.531 4.340 0.017 0.000 0.225 178 L C 2.314 179.134 176.870 -0.083 0.000 1.104 178 L CA 0.147 54.930 54.840 -0.095 0.000 0.866 178 L CB -0.014 42.009 42.059 -0.060 0.000 1.047 178 L HN 0.149 nan 8.230 nan 0.000 0.468 179 G N 1.690 110.437 108.800 -0.089 0.000 2.440 179 G HA2 -0.177 3.794 3.960 0.017 0.000 0.218 179 G HA3 -0.177 3.794 3.960 0.017 0.000 0.218 179 G C -0.595 174.268 174.900 -0.062 0.000 1.154 179 G CA 0.615 45.679 45.100 -0.059 0.000 0.767 179 G HN 0.305 nan 8.290 nan 0.000 0.552 180 P HA -0.039 nan 4.420 nan 0.000 0.219 180 P C 1.519 178.787 177.300 -0.055 0.000 1.146 180 P CA 0.956 64.013 63.100 -0.072 0.000 0.808 180 P CB 0.169 31.810 31.700 -0.099 0.000 0.779 181 K N -1.454 118.911 120.400 -0.058 0.000 2.437 181 K HA 0.273 4.603 4.320 0.017 0.000 0.198 181 K C 1.149 177.728 176.600 -0.035 0.000 1.024 181 K CA 0.542 56.802 56.287 -0.045 0.000 1.148 181 K CB -0.611 31.860 32.500 -0.049 0.000 0.860 181 K HN 0.172 nan 8.250 nan 0.000 0.515 182 G N 0.920 109.701 108.800 -0.031 0.000 2.137 182 G HA2 -0.223 3.747 3.960 0.017 0.000 0.237 182 G HA3 -0.223 3.747 3.960 0.017 0.000 0.237 182 G C -0.088 174.803 174.900 -0.016 0.000 1.002 182 G CA 0.101 45.188 45.100 -0.021 0.000 0.702 182 G HN 0.127 nan 8.290 nan 0.000 0.515 183 V N 0.791 120.693 119.914 -0.020 0.000 2.435 183 V HA 0.608 4.738 4.120 0.017 0.000 0.290 183 V C 0.742 176.831 176.094 -0.007 0.000 1.030 183 V CA -0.770 61.525 62.300 -0.009 0.000 0.881 183 V CB 1.529 33.342 31.823 -0.016 0.000 0.983 183 V HN 0.399 nan 8.190 nan 0.000 0.445 184 R N 2.949 123.452 120.500 0.004 0.000 2.540 184 R HA 0.814 5.164 4.340 0.017 0.000 0.287 184 R C -1.430 174.873 176.300 0.005 0.000 0.980 184 R CA -0.700 55.399 56.100 -0.001 0.000 0.966 184 R CB 2.153 32.445 30.300 -0.013 0.000 1.106 184 R HN 0.493 nan 8.270 nan 0.000 0.480 185 V N 3.017 122.934 119.914 0.004 0.000 2.482 185 V HA 0.383 4.514 4.120 0.017 0.000 0.295 185 V C -0.624 175.475 176.094 0.008 0.000 1.026 185 V CA -0.897 61.407 62.300 0.007 0.000 0.856 185 V CB 1.596 33.422 31.823 0.006 0.000 1.001 185 V HN 0.786 nan 8.190 nan 0.000 0.424 186 N N 2.152 120.856 118.700 0.008 0.000 2.455 186 N HA 0.859 5.609 4.740 0.017 0.000 0.278 186 N C -0.796 174.721 175.510 0.011 0.000 1.291 186 N CA -0.458 52.598 53.050 0.010 0.000 0.780 186 N CB 2.830 41.321 38.487 0.007 0.000 1.520 186 N HN 0.760 nan 8.380 nan 0.000 0.486 187 A N 0.664 123.487 122.820 0.004 0.000 2.374 187 A HA 0.747 5.078 4.320 0.017 0.000 0.317 187 A C -0.793 176.775 177.584 -0.027 0.000 1.094 187 A CA -0.571 51.463 52.037 -0.004 0.000 0.765 187 A CB 0.867 19.858 19.000 -0.016 0.000 1.268 187 A HN 0.585 nan 8.150 nan 0.000 0.438 188 I N 1.607 122.163 120.570 -0.024 0.000 2.355 188 I HA 0.265 4.445 4.170 0.017 0.000 0.288 188 I C 0.347 176.406 176.117 -0.096 0.000 0.999 188 I CA -0.243 61.031 61.300 -0.043 0.000 1.163 188 I CB 1.949 39.956 38.000 0.012 0.000 1.316 188 I HN 0.541 nan 8.210 nan 0.000 0.454 189 S N 5.952 121.495 115.700 -0.261 0.000 2.415 189 S HA 0.625 5.105 4.470 0.017 0.000 0.313 189 S C 0.022 174.538 174.600 -0.140 0.000 1.067 189 S CA -0.545 57.444 58.200 -0.352 0.000 1.099 189 S CB 0.179 62.720 63.200 -1.099 0.000 0.991 189 S HN 0.647 nan 8.310 nan 0.000 0.491 190 A N 4.007 126.860 122.820 0.055 0.000 2.293 190 A HA 0.785 5.115 4.320 0.017 0.000 0.302 190 A C 0.814 178.559 177.584 0.269 0.000 1.119 190 A CA -0.308 51.812 52.037 0.138 0.000 0.823 190 A CB 0.429 19.505 19.000 0.128 0.000 1.097 190 A HN 0.864 nan 8.150 nan 0.000 0.491 191 G N 0.254 109.196 108.800 0.237 0.000 2.588 191 G HA2 0.540 4.511 3.960 0.017 0.000 0.281 191 G HA3 0.540 4.511 3.960 0.017 0.000 0.281 191 G C -2.771 172.278 174.900 0.248 0.000 1.236 191 G CA -1.431 43.837 45.100 0.280 0.000 0.969 191 G HN 0.533 nan 8.290 nan 0.000 0.504 192 P HA 0.280 nan 4.420 nan 0.000 0.268 192 P C -0.341 177.198 177.300 0.397 0.000 1.205 192 P CA -0.197 63.080 63.100 0.296 0.000 0.771 192 P CB 1.206 33.039 31.700 0.221 0.000 0.858 205 T N 0.738 115.290 114.554 -0.004 0.000 2.896 205 T HA -0.112 4.248 4.350 0.017 0.000 0.270 205 T C 1.271 175.937 174.700 -0.056 0.000 1.104 205 T CA 0.977 63.045 62.100 -0.054 0.000 1.115 205 T CB -0.532 68.376 68.868 0.068 0.000 0.843 205 T HN 0.105 nan 8.240 nan 0.000 0.523 209 D N 1.078 121.408 120.400 -0.116 0.000 2.144 209 D HA -0.053 4.598 4.640 0.017 0.000 0.200 209 D C 1.682 177.908 176.300 -0.123 0.000 0.978 209 D CA 1.270 55.204 54.000 -0.110 0.000 0.833 209 D CB -0.054 40.741 40.800 -0.007 0.000 0.961 209 D HN 0.430 nan 8.370 nan 0.000 0.470 210 R N 0.554 120.993 120.500 -0.101 0.000 2.115 210 R HA -0.034 4.316 4.340 0.017 0.000 0.230 210 R C 2.412 178.672 176.300 -0.066 0.000 1.111 210 R CA 0.342 56.411 56.100 -0.051 0.000 0.976 210 R CB -0.141 30.156 30.300 -0.005 0.000 0.870 210 R HN 0.063 nan 8.270 nan 0.000 0.445 211 V N 1.047 120.835 119.914 -0.211 0.000 2.295 211 V HA -0.231 3.899 4.120 0.017 0.000 0.246 211 V C 2.453 178.475 176.094 -0.120 0.000 1.049 211 V CA 2.001 64.154 62.300 -0.244 0.000 1.024 211 V CB -0.654 30.915 31.823 -0.424 0.000 0.648 211 V HN 0.375 nan 8.190 nan 0.000 0.447 212 A N -0.785 121.911 122.820 -0.207 0.000 1.972 212 A HA -0.275 4.055 4.320 0.017 0.000 0.219 212 A C 2.140 179.682 177.584 -0.070 0.000 1.169 212 A CA 1.905 53.848 52.037 -0.157 0.000 0.635 212 A CB -0.388 18.484 19.000 -0.212 0.000 0.810 212 A HN 0.677 nan 8.150 nan 0.000 0.446 213 Q N -1.153 118.618 119.800 -0.049 0.000 2.269 213 Q HA -0.047 4.303 4.340 0.017 0.000 0.201 213 Q C 1.997 178.004 176.000 0.011 0.000 0.946 213 Q CA 1.555 57.349 55.803 -0.015 0.000 0.877 213 Q CB -0.024 28.708 28.738 -0.009 0.000 0.963 213 Q HN 0.847 nan 8.270 nan 0.000 0.472 214 T N -2.734 111.850 114.554 0.050 0.000 2.990 214 T HA 0.395 4.755 4.350 0.017 0.000 0.249 214 T C 0.855 175.595 174.700 0.066 0.000 1.039 214 T CA 0.078 62.220 62.100 0.071 0.000 1.036 214 T CB 0.193 69.142 68.868 0.135 0.000 0.994 214 T HN 0.145 nan 8.240 nan 0.000 0.489 215 A N 2.895 125.783 122.820 0.112 0.000 2.445 215 A HA 0.488 4.819 4.320 0.017 0.000 0.242 215 A C -1.023 176.566 177.584 0.009 0.000 1.075 215 A CA -1.179 50.909 52.037 0.085 0.000 0.777 215 A CB 0.116 19.180 19.000 0.106 0.000 1.013 215 A HN 0.162 nan 8.150 nan 0.000 0.493 216 P HA -0.153 nan 4.420 nan 0.000 0.216 216 P C 1.017 178.305 177.300 -0.020 0.000 1.150 216 P CA 1.176 64.256 63.100 -0.034 0.000 0.843 216 P CB 0.041 31.710 31.700 -0.052 0.000 0.787 217 L N -2.019 119.199 121.223 -0.009 0.000 2.554 217 L HA 0.102 4.452 4.340 0.017 0.000 0.226 217 L C 0.318 177.181 176.870 -0.012 0.000 1.137 217 L CA 0.064 54.899 54.840 -0.008 0.000 0.863 217 L CB -0.416 41.643 42.059 -0.001 0.000 0.985 217 L HN -0.053 nan 8.230 nan 0.000 0.451 218 R N 1.540 122.032 120.500 -0.013 0.000 3.333 218 R HA -0.178 4.172 4.340 0.017 0.000 0.256 218 R C -0.225 176.054 176.300 -0.034 0.000 1.010 218 R CA 0.742 56.830 56.100 -0.020 0.000 0.680 218 R CB -2.083 28.207 30.300 -0.017 0.000 1.102 218 R HN 0.713 nan 8.270 nan 0.000 0.440 219 R N -1.853 118.620 120.500 -0.046 0.000 2.728 219 R HA 0.382 4.733 4.340 0.017 0.000 0.274 219 R C -1.145 175.098 176.300 -0.094 0.000 1.032 219 R CA -1.031 55.026 56.100 -0.070 0.000 0.866 219 R CB 0.921 31.201 30.300 -0.033 0.000 1.263 219 R HN -0.076 nan 8.270 nan 0.000 0.475 220 N N 0.710 119.322 118.700 -0.147 0.000 2.493 220 N HA 0.361 5.111 4.740 0.017 0.000 0.275 220 N C 0.208 175.714 175.510 -0.007 0.000 1.186 220 N CA -0.403 52.560 53.050 -0.144 0.000 0.978 220 N CB 1.159 39.448 38.487 -0.330 0.000 1.184 220 N HN 0.504 nan 8.380 nan 0.000 0.487 221 I N -1.861 118.737 120.570 0.046 0.000 3.156 221 I HA 0.387 4.568 4.170 0.017 0.000 0.306 221 I C 0.933 177.114 176.117 0.106 0.000 1.048 221 I CA -0.587 60.757 61.300 0.074 0.000 1.207 221 I CB 0.633 38.687 38.000 0.089 0.000 1.456 221 I HN 0.404 nan 8.210 nan 0.000 0.616 222 T N -0.669 113.942 114.554 0.094 0.000 2.940 222 T HA 0.314 4.674 4.350 0.017 0.000 0.288 222 T C 0.529 175.287 174.700 0.097 0.000 1.045 222 T CA -0.339 61.821 62.100 0.100 0.000 1.018 222 T CB 1.620 70.536 68.868 0.079 0.000 1.151 222 T HN 0.862 nan 8.240 nan 0.000 0.529 223 Q N 0.038 119.895 119.800 0.095 0.000 2.297 223 Q HA -0.073 4.277 4.340 0.017 0.000 0.204 223 Q C 1.271 177.322 176.000 0.085 0.000 0.962 223 Q CA 1.261 57.120 55.803 0.094 0.000 0.879 223 Q CB -0.310 28.485 28.738 0.096 0.000 0.947 223 Q HN 0.717 nan 8.270 nan 0.000 0.462 224 E N 1.735 121.982 120.200 0.077 0.000 2.106 224 E HA -0.140 4.220 4.350 0.017 0.000 0.192 224 E C 1.617 178.250 176.600 0.056 0.000 0.984 224 E CA 1.440 57.879 56.400 0.065 0.000 0.806 224 E CB 0.042 29.777 29.700 0.058 0.000 0.750 224 E HN 0.542 nan 8.360 nan 0.000 0.458 225 E N -0.120 120.114 120.200 0.057 0.000 2.150 225 E HA -0.118 4.242 4.350 0.017 0.000 0.193 225 E C 1.914 178.547 176.600 0.055 0.000 0.985 225 E CA 0.915 57.345 56.400 0.050 0.000 0.814 225 E CB 0.106 29.836 29.700 0.051 0.000 0.752 225 E HN 0.079 nan 8.360 nan 0.000 0.466 226 V N 0.599 120.552 119.914 0.065 0.000 2.379 226 V HA -0.129 4.002 4.120 0.017 0.000 0.245 226 V C 2.334 178.463 176.094 0.057 0.000 1.044 226 V CA 1.851 64.190 62.300 0.066 0.000 1.036 226 V CB -0.769 31.099 31.823 0.075 0.000 0.664 226 V HN 0.390 nan 8.190 nan 0.000 0.453 227 G N -0.069 108.763 108.800 0.054 0.000 2.442 227 G HA2 -0.300 3.670 3.960 0.017 0.000 0.219 227 G HA3 -0.300 3.670 3.960 0.017 0.000 0.219 227 G C 1.401 176.321 174.900 0.033 0.000 1.141 227 G CA 1.229 46.352 45.100 0.038 0.000 0.763 227 G HN 0.606 nan 8.290 nan 0.000 0.554 228 N N -0.359 118.366 118.700 0.041 0.000 2.142 228 N HA -0.072 4.679 4.740 0.017 0.000 0.186 228 N C 2.011 177.568 175.510 0.078 0.000 1.023 228 N CA 0.712 53.789 53.050 0.046 0.000 0.852 228 N CB -0.113 38.394 38.487 0.033 0.000 0.998 228 N HN 0.228 nan 8.380 nan 0.000 0.424 229 L N 0.920 122.190 121.223 0.078 0.000 2.093 229 L HA 0.064 4.414 4.340 0.017 0.000 0.208 229 L C 2.100 179.047 176.870 0.129 0.000 1.085 229 L CA 1.534 56.449 54.840 0.125 0.000 0.755 229 L CB -1.095 41.020 42.059 0.093 0.000 0.904 229 L HN 0.089 nan 8.230 nan 0.000 0.435 230 G N -0.305 108.533 108.800 0.063 0.000 2.418 230 G HA2 -0.290 3.680 3.960 0.017 0.000 0.217 230 G HA3 -0.290 3.680 3.960 0.017 0.000 0.217 230 G C 1.584 176.465 174.900 -0.033 0.000 1.158 230 G CA 0.998 46.107 45.100 0.016 0.000 0.771 230 G HN 0.435 nan 8.290 nan 0.000 0.545 231 L N -0.249 120.966 121.223 -0.014 0.000 2.017 231 L HA 0.070 4.420 4.340 0.017 0.000 0.208 231 L C 2.459 179.303 176.870 -0.043 0.000 1.073 231 L CA 1.895 56.699 54.840 -0.059 0.000 0.745 231 L CB -0.766 41.287 42.059 -0.011 0.000 0.894 231 L HN 0.213 nan 8.230 nan 0.000 0.432 232 F N 0.005 119.911 119.950 -0.074 0.000 2.069 232 F HA -0.249 4.287 4.527 0.015 0.000 0.298 232 F C 2.088 177.848 175.800 -0.066 0.000 1.113 232 F CA 2.090 60.056 58.000 -0.057 0.000 1.214 232 F CB -0.609 38.373 39.000 -0.029 0.000 0.978 232 F HN 0.072 nan 8.300 nan 0.000 0.474 233 L N -0.191 120.886 121.223 -0.243 0.000 2.079 233 L HA -0.248 4.102 4.340 0.017 0.000 0.210 233 L C 2.459 179.140 176.870 -0.315 0.000 1.081 233 L CA 1.244 55.888 54.840 -0.326 0.000 0.752 233 L CB -0.701 41.312 42.059 -0.077 0.000 0.896 233 L HN 0.282 nan 8.230 nan 0.000 0.433 234 L N -0.948 120.091 121.223 -0.307 0.000 2.209 234 L HA -0.006 4.344 4.340 0.017 0.000 0.207 234 L C 1.690 178.306 176.870 -0.423 0.000 1.094 234 L CA -0.020 54.576 54.840 -0.406 0.000 0.790 234 L CB -0.286 41.364 42.059 -0.683 0.000 0.932 234 L HN 0.290 nan 8.230 nan 0.000 0.447 235 S N 0.290 115.766 115.700 -0.373 0.000 2.584 235 S HA 0.096 4.576 4.470 0.017 0.000 0.270 235 S C -1.420 173.074 174.600 -0.177 0.000 1.346 235 S CA -1.047 57.017 58.200 -0.227 0.000 1.018 235 S CB 0.335 63.443 63.200 -0.153 0.000 0.899 235 S HN -0.005 nan 8.310 nan 0.000 0.542 236 P HA -0.039 nan 4.420 nan 0.000 0.228 236 P C 1.307 178.555 177.300 -0.086 0.000 1.151 236 P CA 0.713 63.779 63.100 -0.057 0.000 0.770 236 P CB -0.151 31.544 31.700 -0.007 0.000 0.786 237 L N -0.692 120.465 121.223 -0.110 0.000 2.275 237 L HA -0.056 4.295 4.340 0.017 0.000 0.215 237 L C 2.097 178.852 176.870 -0.191 0.000 1.119 237 L CA 1.216 56.025 54.840 -0.051 0.000 0.790 237 L CB -0.718 41.412 42.059 0.119 0.000 0.919 237 L HN -0.043 nan 8.230 nan 0.000 0.443 238 A N -0.827 121.697 122.820 -0.493 0.000 2.507 238 A HA 0.129 4.460 4.320 0.017 0.000 0.270 238 A C 1.963 179.410 177.584 -0.230 0.000 1.318 238 A CA 0.376 52.087 52.037 -0.545 0.000 0.924 238 A CB -0.268 18.141 19.000 -0.985 0.000 1.061 238 A HN 0.367 nan 8.150 nan 0.000 0.516 239 S N -1.015 114.604 115.700 -0.135 0.000 2.440 239 S HA -0.105 4.376 4.470 0.017 0.000 0.240 239 S C 1.522 176.098 174.600 -0.041 0.000 1.014 239 S CA 1.482 59.640 58.200 -0.069 0.000 0.980 239 S CB -0.397 62.780 63.200 -0.038 0.000 0.775 239 S HN 0.734 nan 8.310 nan 0.000 0.499 240 G N 0.216 108.999 108.800 -0.028 0.000 3.233 240 G HA2 0.463 4.433 3.960 0.017 0.000 0.234 240 G HA3 0.463 4.433 3.960 0.017 0.000 0.234 240 G C 0.183 175.083 174.900 0.000 0.000 1.137 240 G CA -0.482 44.615 45.100 -0.005 0.000 0.763 240 G HN 0.527 nan 8.290 nan 0.000 0.549 241 I N 1.332 121.891 120.570 -0.017 0.000 2.312 241 I HA 0.453 4.633 4.170 0.017 0.000 0.290 241 I C -0.230 175.880 176.117 -0.010 0.000 1.008 241 I CA -0.230 61.069 61.300 -0.001 0.000 1.226 241 I CB 1.997 40.002 38.000 0.009 0.000 1.371 241 I HN -0.116 nan 8.210 nan 0.000 0.468 242 T N 3.325 117.884 114.554 0.007 0.000 2.889 242 T HA 0.535 4.895 4.350 0.017 0.000 0.315 242 T C 0.423 175.134 174.700 0.018 0.000 1.291 242 T CA 0.307 62.411 62.100 0.007 0.000 1.028 242 T CB 1.544 70.415 68.868 0.004 0.000 1.235 242 T HN 0.942 nan 8.240 nan 0.000 0.491 243 G N 2.239 111.051 108.800 0.020 0.000 2.155 243 G HA2 -0.164 3.806 3.960 0.017 0.000 0.257 243 G HA3 -0.164 3.806 3.960 0.017 0.000 0.257 243 G C -0.028 174.889 174.900 0.029 0.000 0.983 243 G CA 0.447 45.562 45.100 0.025 0.000 0.676 243 G HN 0.699 nan 8.290 nan 0.000 0.528 244 E N -0.608 119.610 120.200 0.030 0.000 2.283 244 E HA 0.564 4.924 4.350 0.017 0.000 0.271 244 E C -0.105 176.513 176.600 0.030 0.000 1.031 244 E CA -0.566 55.858 56.400 0.040 0.000 0.868 244 E CB 1.948 31.679 29.700 0.053 0.000 1.094 244 E HN 0.124 nan 8.360 nan 0.000 0.401 245 V N 3.175 123.110 119.914 0.035 0.000 2.304 245 V HA 0.186 4.316 4.120 0.017 0.000 0.278 245 V C -0.257 175.837 176.094 -0.002 0.000 1.018 245 V CA -0.678 61.609 62.300 -0.021 0.000 0.814 245 V CB 1.469 33.274 31.823 -0.030 0.000 1.021 245 V HN 0.325 nan 8.190 nan 0.000 0.440 246 V N 5.571 125.471 119.914 -0.023 0.000 2.394 246 V HA 0.419 4.549 4.120 0.017 0.000 0.282 246 V C -0.575 175.497 176.094 -0.036 0.000 1.031 246 V CA -0.784 61.544 62.300 0.047 0.000 0.881 246 V CB 1.208 33.080 31.823 0.082 0.000 0.982 246 V HN 0.668 nan 8.190 nan 0.000 0.451 247 Y N 3.125 123.395 120.300 -0.050 0.000 2.313 247 Y HA 0.494 5.054 4.550 0.017 0.000 0.332 247 Y C 0.319 176.216 175.900 -0.005 0.000 1.071 247 Y CA -0.308 57.733 58.100 -0.097 0.000 1.169 247 Y CB 1.758 40.014 38.460 -0.340 0.000 1.192 247 Y HN 0.377 nan 8.280 nan 0.000 0.487 248 V N 5.201 125.196 119.914 0.135 0.000 2.383 248 V HA 0.356 4.486 4.120 0.017 0.000 0.264 248 V C -0.960 175.219 176.094 0.141 0.000 1.001 248 V CA -0.369 62.002 62.300 0.120 0.000 0.828 248 V CB 0.414 32.286 31.823 0.082 0.000 1.069 248 V HN 0.918 nan 8.190 nan 0.000 0.451 249 D N 4.322 124.828 120.400 0.176 0.000 2.636 249 D HA 0.311 4.962 4.640 0.017 0.000 0.270 249 D C 0.736 177.125 176.300 0.149 0.000 1.430 249 D CA 0.292 54.402 54.000 0.183 0.000 0.796 249 D CB 0.579 41.534 40.800 0.258 0.000 1.117 249 D HN 1.169 nan 8.370 nan 0.000 0.480 250 A N -0.062 122.822 122.820 0.107 0.000 2.847 250 A HA 0.062 4.392 4.320 0.017 0.000 0.263 250 A C 1.838 179.458 177.584 0.059 0.000 1.391 250 A CA 1.465 53.542 52.037 0.067 0.000 0.866 250 A CB -2.124 16.904 19.000 0.046 0.000 1.057 250 A HN 1.640 nan 8.150 nan 0.000 0.673 251 G N -3.326 105.521 108.800 0.078 0.000 2.179 251 G HA2 -0.371 3.599 3.960 0.017 0.000 0.260 251 G HA3 -0.371 3.599 3.960 0.017 0.000 0.260 251 G C 0.811 175.663 174.900 -0.080 0.000 0.977 251 G CA 1.470 46.562 45.100 -0.012 0.000 0.641 251 G HN 1.986 nan 8.290 nan 0.000 0.533 252 Y N 1.730 121.981 120.300 -0.082 0.000 2.069 252 Y HA -0.304 4.257 4.550 0.020 0.000 0.278 252 Y C 2.651 178.382 175.900 -0.281 0.000 1.175 252 Y CA 2.997 61.015 58.100 -0.136 0.000 1.134 252 Y CB -0.654 37.757 38.460 -0.082 0.000 0.965 252 Y HN 0.746 nan 8.280 nan 0.000 0.498 253 H N -0.389 118.317 119.070 -0.607 0.000 2.518 253 H HA -0.006 4.560 4.556 0.017 0.000 0.289 253 H C 1.069 175.971 175.328 -0.710 0.000 1.051 253 H CA 0.795 56.180 56.048 -1.105 0.000 1.280 253 H CB -0.899 28.028 29.762 -1.392 0.000 1.380 253 H HN 0.478 nan 8.280 nan 0.000 0.566 256 G N 0.000 108.698 108.800 -0.171 0.000 5.446 256 G HA2 0.000 3.970 3.960 0.017 0.000 0.244 256 G HA3 0.000 3.970 3.960 0.017 0.000 0.244 256 G CA 0.000 45.034 45.100 -0.110 0.000 0.502 256 G HN 0.000 nan 8.290 nan 0.000 0.925