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 3itb_1_A DATA FIRST_RESID 5 DATA SEQUENCE TVEAPSVDAR AWILMDYASG KVLAEGNADE KLDPASLTKI MTSYVVGQAL DATA SEQUENCE KADKIKLTDM VTVGKDAWAT GNPALRGSSV MFLKPGDQVS VADLNKGVII DATA SEQUENCE QSGNDACIAL ADYVAGSQES FIGLMNGYAK KLGLTNTTFQ TVHGLDAPGQ DATA SEQUENCE FSTARDMALL GKALIHDVPE EYAIHKEKEF TFNKIRQPNR NRLLWSSNLN DATA SEQUENCE VDGMKTGTTA GAGYNLVASA TQGDMRLISV VLGAKTDRIR FNESEKLLTW DATA SEQUENCE GFRFFETVTP IKPDATFVTQ RVWFGDKSEV NLGAGEAGSV TIPRGQLKNL DATA SEQUENCE KASYTLTEPQ LTAPLKKGQV VGTIDFQLNX XXIEQRPLIV MENVEEGG 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.736 174.700 0.059 0.000 1.109 5 T CA 0.000 62.155 62.100 0.092 0.000 1.349 5 T CB 0.000 68.909 68.868 0.069 0.000 0.612 6 V N 2.629 122.622 119.914 0.132 0.000 2.623 6 V HA 0.471 4.587 4.120 -0.008 0.000 0.304 6 V C 0.018 176.261 176.094 0.249 0.000 1.054 6 V CA -0.939 61.398 62.300 0.062 0.000 0.882 6 V CB 1.815 33.583 31.823 -0.093 0.000 1.002 6 V HN 0.932 nan 8.190 nan 0.000 0.424 7 E N 3.317 123.596 120.200 0.132 0.000 2.417 7 E HA 0.403 4.748 4.350 -0.008 0.000 0.261 7 E C 0.399 177.107 176.600 0.180 0.000 1.000 7 E CA 0.043 56.519 56.400 0.126 0.000 0.919 7 E CB 0.909 30.632 29.700 0.039 0.000 0.955 7 E HN 0.925 nan 8.360 nan 0.000 0.455 8 A N 5.727 128.574 122.820 0.045 0.000 2.462 8 A HA 0.325 4.641 4.320 -0.008 0.000 0.243 8 A C -2.127 175.190 177.584 -0.444 0.000 1.076 8 A CA -1.213 50.609 52.037 -0.358 0.000 0.773 8 A CB -0.079 18.810 19.000 -0.184 0.000 1.010 8 A HN 0.579 nan 8.150 nan 0.000 0.493 9 P HA 0.240 nan 4.420 nan 0.000 0.274 9 P C -0.078 177.010 177.300 -0.352 0.000 1.237 9 P CA -0.373 62.425 63.100 -0.505 0.000 0.793 9 P CB 0.723 32.068 31.700 -0.592 0.000 0.977 10 S N 0.448 115.990 115.700 -0.263 0.000 2.548 10 S HA 0.358 4.823 4.470 -0.008 0.000 0.277 10 S C -0.468 173.872 174.600 -0.434 0.000 1.315 10 S CA -0.400 57.646 58.200 -0.256 0.000 1.050 10 S CB -0.192 62.915 63.200 -0.156 0.000 0.918 10 S HN 0.194 nan 8.310 nan 0.000 0.497 11 V N 4.404 123.899 119.914 -0.698 0.000 2.638 11 V HA 0.334 4.450 4.120 -0.008 0.000 0.306 11 V C -0.617 175.088 176.094 -0.647 0.000 1.052 11 V CA -0.878 60.862 62.300 -0.933 0.000 0.885 11 V CB 2.013 32.647 31.823 -1.981 0.000 0.999 11 V HN 0.867 nan 8.190 nan 0.000 0.424 12 D N 3.863 124.050 120.400 -0.356 0.000 2.564 12 D HA 0.677 5.312 4.640 -0.008 0.000 0.226 12 D C -0.143 176.104 176.300 -0.088 0.000 1.149 12 D CA 0.346 54.247 54.000 -0.165 0.000 0.994 12 D CB 0.686 41.422 40.800 -0.108 0.000 1.029 12 D HN 0.879 nan 8.370 nan 0.000 0.517 13 A N 2.913 125.722 122.820 -0.018 0.000 2.566 13 A HA 0.380 4.695 4.320 -0.008 0.000 0.290 13 A C 0.797 178.504 177.584 0.205 0.000 1.071 13 A CA -0.662 51.427 52.037 0.087 0.000 0.658 13 A CB 1.029 20.082 19.000 0.088 0.000 1.285 13 A HN 0.220 nan 8.150 nan 0.000 0.427 14 R N -0.456 120.146 120.500 0.171 0.000 2.075 14 R HA 0.232 4.567 4.340 -0.008 0.000 0.232 14 R C 0.640 177.050 176.300 0.184 0.000 1.126 14 R CA 1.673 57.863 56.100 0.150 0.000 0.963 14 R CB 0.022 30.375 30.300 0.089 0.000 0.858 14 R HN 1.101 nan 8.270 nan 0.000 0.435 15 A N -0.308 122.657 122.820 0.242 0.000 2.589 15 A HA 0.513 4.828 4.320 -0.008 0.000 0.296 15 A C -2.007 175.766 177.584 0.315 0.000 1.062 15 A CA -0.752 51.367 52.037 0.138 0.000 0.686 15 A CB 0.807 19.814 19.000 0.011 0.000 1.282 15 A HN 0.358 nan 8.150 nan 0.000 0.404 16 W N 0.314 121.603 121.300 -0.019 0.000 3.066 16 W HA 0.829 5.481 4.660 -0.014 0.000 0.330 16 W C -1.923 174.583 176.519 -0.023 0.000 1.253 16 W CA -0.840 56.494 57.345 -0.019 0.000 1.187 16 W CB 0.841 30.284 29.460 -0.028 0.000 1.434 16 W HN 0.872 nan 8.180 nan 0.000 0.572 17 I N 2.412 123.100 120.570 0.195 0.000 2.841 17 I HA 0.612 4.777 4.170 -0.008 0.000 0.298 17 I C -2.078 174.127 176.117 0.146 0.000 1.304 17 I CA -1.253 60.093 61.300 0.076 0.000 1.019 17 I CB 2.096 40.085 38.000 -0.019 0.000 1.282 17 I HN 0.691 nan 8.210 nan 0.000 0.432 18 L N 7.821 129.115 121.223 0.119 0.000 2.381 18 L HA 0.714 5.049 4.340 -0.008 0.000 0.274 18 L C -1.459 175.428 176.870 0.028 0.000 0.988 18 L CA -0.179 54.717 54.840 0.093 0.000 0.824 18 L CB 1.575 43.722 42.059 0.146 0.000 1.263 18 L HN 0.720 nan 8.230 nan 0.000 0.410 19 M N 4.274 123.877 119.600 0.004 0.000 2.326 19 M HA 0.371 4.847 4.480 -0.008 0.000 0.292 19 M C -1.557 174.730 176.300 -0.022 0.000 1.081 19 M CA -0.557 54.732 55.300 -0.019 0.000 0.919 19 M CB 1.754 34.350 32.600 -0.005 0.000 1.634 19 M HN 0.716 nan 8.290 nan 0.000 0.451 20 D N 2.599 122.973 120.400 -0.045 0.000 2.351 20 D HA 0.004 4.639 4.640 -0.008 0.000 0.251 20 D C 0.023 176.339 176.300 0.027 0.000 1.137 20 D CA 0.197 54.189 54.000 -0.014 0.000 0.879 20 D CB 0.990 41.761 40.800 -0.048 0.000 1.181 20 D HN 0.740 nan 8.370 nan 0.000 0.448 21 Y N 4.339 124.618 120.300 -0.034 0.000 2.200 21 Y HA -0.060 4.461 4.550 -0.050 0.000 0.290 21 Y C 1.856 177.737 175.900 -0.031 0.000 1.137 21 Y CA 1.981 60.063 58.100 -0.030 0.000 1.163 21 Y CB -0.116 38.337 38.460 -0.011 0.000 0.988 21 Y HN 0.484 nan 8.280 nan 0.000 0.518 22 A N -0.532 122.221 122.820 -0.112 0.000 1.898 22 A HA -0.073 4.243 4.320 -0.008 0.000 0.214 22 A C 2.355 179.819 177.584 -0.200 0.000 1.183 22 A CA 1.776 53.688 52.037 -0.208 0.000 0.622 22 A CB -1.083 17.909 19.000 -0.013 0.000 0.824 22 A HN 0.542 nan 8.150 nan 0.000 0.444 23 S N -2.513 113.105 115.700 -0.137 0.000 2.492 23 S HA 0.379 4.844 4.470 -0.008 0.000 0.218 23 S C 1.548 176.072 174.600 -0.127 0.000 1.016 23 S CA 1.188 59.308 58.200 -0.134 0.000 0.916 23 S CB -0.048 63.079 63.200 -0.123 0.000 0.791 23 S HN 1.882 nan 8.310 nan 0.000 0.513 24 G N 1.148 109.872 108.800 -0.126 0.000 2.184 24 G HA2 -0.322 3.634 3.960 -0.008 0.000 0.264 24 G HA3 -0.322 3.634 3.960 -0.008 0.000 0.264 24 G C 0.065 174.917 174.900 -0.079 0.000 0.975 24 G CA 0.449 45.486 45.100 -0.104 0.000 0.642 24 G HN 0.793 nan 8.290 nan 0.000 0.536 25 K N 0.929 121.279 120.400 -0.084 0.000 2.412 25 K HA 0.477 4.792 4.320 -0.008 0.000 0.281 25 K C 0.409 176.959 176.600 -0.084 0.000 1.027 25 K CA -0.197 56.040 56.287 -0.082 0.000 0.989 25 K CB 0.876 33.317 32.500 -0.099 0.000 0.935 25 K HN 0.204 nan 8.250 nan 0.000 0.475 26 V N 7.947 127.820 119.914 -0.069 0.000 2.389 26 V HA 0.110 4.225 4.120 -0.008 0.000 0.264 26 V C 1.098 177.154 176.094 -0.064 0.000 1.049 26 V CA -0.214 62.052 62.300 -0.057 0.000 0.932 26 V CB 0.705 32.498 31.823 -0.051 0.000 1.011 26 V HN 0.791 nan 8.190 nan 0.000 0.475 27 L N 3.986 125.171 121.223 -0.063 0.000 2.416 27 L HA 0.491 4.826 4.340 -0.008 0.000 0.216 27 L C 0.863 177.804 176.870 0.118 0.000 1.098 27 L CA 0.707 55.496 54.840 -0.085 0.000 0.840 27 L CB 0.209 42.130 42.059 -0.230 0.000 0.981 27 L HN 0.762 nan 8.230 nan 0.000 0.462 28 A N 0.595 123.470 122.820 0.093 0.000 2.594 28 A HA 0.620 4.935 4.320 -0.008 0.000 0.296 28 A C -1.347 176.276 177.584 0.065 0.000 1.056 28 A CA -0.508 51.585 52.037 0.094 0.000 0.693 28 A CB 1.364 20.392 19.000 0.048 0.000 1.278 28 A HN 0.138 nan 8.150 nan 0.000 0.408 29 E N 0.497 120.667 120.200 -0.050 0.000 2.388 29 E HA 0.627 4.973 4.350 -0.008 0.000 0.281 29 E C -0.550 175.452 176.600 -0.995 0.000 1.046 29 E CA -0.664 55.449 56.400 -0.479 0.000 0.825 29 E CB 1.631 31.157 29.700 -0.290 0.000 1.243 29 E HN 1.709 nan 8.360 nan 0.000 0.438 30 G N 1.535 109.274 108.800 -1.768 0.000 2.739 30 G HA2 0.387 4.343 3.960 -0.008 0.000 0.292 30 G HA3 0.387 4.343 3.960 -0.008 0.000 0.292 30 G C -0.493 173.820 174.900 -0.978 0.000 1.444 30 G CA -0.797 43.273 45.100 -1.717 0.000 1.144 30 G HN 0.541 nan 8.290 nan 0.000 0.550 31 N N -0.306 118.084 118.700 -0.516 0.000 2.710 31 N HA -0.244 4.491 4.740 -0.008 0.000 0.249 31 N C 1.409 176.769 175.510 -0.249 0.000 1.059 31 N CA 1.001 53.876 53.050 -0.292 0.000 0.720 31 N CB -0.814 37.554 38.487 -0.198 0.000 0.983 31 N HN 1.024 nan 8.380 nan 0.000 0.544 32 A N -0.667 121.988 122.820 -0.274 0.000 2.235 32 A HA -0.037 4.279 4.320 -0.008 0.000 0.208 32 A C 1.199 178.704 177.584 -0.131 0.000 1.172 32 A CA 0.709 52.621 52.037 -0.207 0.000 0.786 32 A CB 0.259 19.130 19.000 -0.215 0.000 0.804 32 A HN 0.292 nan 8.150 nan 0.000 0.479 33 D N -0.879 119.446 120.400 -0.124 0.000 2.503 33 D HA 0.056 4.691 4.640 -0.008 0.000 0.218 33 D C -0.002 176.243 176.300 -0.093 0.000 1.183 33 D CA -0.119 53.822 54.000 -0.098 0.000 0.827 33 D CB 0.348 41.091 40.800 -0.094 0.000 1.034 33 D HN 0.615 nan 8.370 nan 0.000 0.510 34 E N 2.043 122.188 120.200 -0.091 0.000 2.299 34 E HA 0.045 4.390 4.350 -0.008 0.000 0.272 34 E C -0.238 176.324 176.600 -0.063 0.000 1.043 34 E CA -0.186 56.166 56.400 -0.081 0.000 0.895 34 E CB 0.662 30.321 29.700 -0.067 0.000 1.011 34 E HN -0.148 nan 8.360 nan 0.000 0.432 35 K N 4.486 124.829 120.400 -0.095 0.000 2.436 35 K HA 0.164 4.479 4.320 -0.008 0.000 0.282 35 K C -0.485 176.134 176.600 0.033 0.000 1.044 35 K CA 0.386 56.622 56.287 -0.084 0.000 1.028 35 K CB 0.356 32.665 32.500 -0.318 0.000 0.919 35 K HN 0.435 nan 8.250 nan 0.000 0.474 36 L N 1.308 122.623 121.223 0.154 0.000 2.409 36 L HA 0.277 4.612 4.340 -0.008 0.000 0.255 36 L C -0.364 176.626 176.870 0.199 0.000 1.027 36 L CA -1.120 53.820 54.840 0.167 0.000 0.834 36 L CB 1.867 43.975 42.059 0.082 0.000 1.426 36 L HN 0.573 nan 8.230 nan 0.000 0.411 37 D N 2.657 123.133 120.400 0.125 0.000 2.383 37 D HA 0.093 4.728 4.640 -0.008 0.000 0.252 37 D C -1.770 174.560 176.300 0.050 0.000 1.166 37 D CA -1.060 52.964 54.000 0.040 0.000 0.879 37 D CB 1.806 42.603 40.800 -0.006 0.000 1.164 37 D HN 0.281 nan 8.370 nan 0.000 0.462 38 P HA 0.054 nan 4.420 nan 0.000 0.230 38 P C 0.612 177.965 177.300 0.090 0.000 1.168 38 P CA 0.584 63.742 63.100 0.095 0.000 0.793 38 P CB 0.363 32.156 31.700 0.156 0.000 0.851 39 A N 0.453 123.316 122.820 0.071 0.000 5.585 39 A HA -0.293 4.022 4.320 -0.008 0.000 0.295 39 A C 1.865 179.502 177.584 0.089 0.000 1.985 39 A CA 1.570 53.642 52.037 0.059 0.000 0.716 39 A CB -2.429 16.588 19.000 0.029 0.000 1.237 39 A HN 0.169 nan 8.150 nan 0.000 0.371 40 S N -0.497 115.249 115.700 0.076 0.000 2.465 40 S HA -0.031 4.434 4.470 -0.008 0.000 0.241 40 S C 1.661 176.323 174.600 0.104 0.000 1.000 40 S CA 1.571 59.823 58.200 0.087 0.000 0.964 40 S CB -0.767 62.479 63.200 0.077 0.000 0.763 40 S HN 0.540 nan 8.310 nan 0.000 0.512 41 L N 0.648 121.940 121.223 0.114 0.000 2.353 41 L HA -0.088 4.247 4.340 -0.008 0.000 0.220 41 L C 2.391 179.347 176.870 0.145 0.000 1.133 41 L CA 0.830 55.749 54.840 0.132 0.000 0.798 41 L CB -0.993 41.145 42.059 0.132 0.000 0.922 41 L HN 0.245 nan 8.230 nan 0.000 0.445 42 T N -0.332 114.312 114.554 0.150 0.000 2.778 42 T HA -0.214 4.131 4.350 -0.008 0.000 0.269 42 T C 1.847 176.530 174.700 -0.029 0.000 1.050 42 T CA 1.282 63.441 62.100 0.097 0.000 1.137 42 T CB -0.109 68.830 68.868 0.117 0.000 0.860 42 T HN 0.339 nan 8.240 nan 0.000 0.468 43 K N 0.425 120.854 120.400 0.048 0.000 2.362 43 K HA 0.088 4.404 4.320 -0.008 0.000 0.200 43 K C 1.980 178.636 176.600 0.094 0.000 1.046 43 K CA 0.581 56.900 56.287 0.054 0.000 0.952 43 K CB -0.239 32.304 32.500 0.071 0.000 0.753 43 K HN 0.407 nan 8.250 nan 0.000 0.466 44 I N 0.432 121.069 120.570 0.111 0.000 2.208 44 I HA -0.308 3.858 4.170 -0.008 0.000 0.245 44 I C 2.440 178.615 176.117 0.096 0.000 1.097 44 I CA 1.002 62.386 61.300 0.140 0.000 1.363 44 I CB -0.191 37.880 38.000 0.119 0.000 1.051 44 I HN 0.205 nan 8.210 nan 0.000 0.413 45 M N 0.793 120.375 119.600 -0.030 0.000 2.132 45 M HA -0.139 4.336 4.480 -0.008 0.000 0.263 45 M C 2.252 178.553 176.300 0.003 0.000 1.065 45 M CA 2.016 57.249 55.300 -0.111 0.000 1.122 45 M CB -0.802 31.470 32.600 -0.546 0.000 1.365 45 M HN 0.090 nan 8.290 nan 0.000 0.411 46 T N -0.617 113.951 114.554 0.024 0.000 2.665 46 T HA -0.167 4.179 4.350 -0.008 0.000 0.268 46 T C 2.016 176.861 174.700 0.243 0.000 1.035 46 T CA 1.965 64.200 62.100 0.224 0.000 1.151 46 T CB -0.663 68.275 68.868 0.117 0.000 0.862 46 T HN 0.486 nan 8.240 nan 0.000 0.438 47 S N -0.325 115.476 115.700 0.168 0.000 2.382 47 S HA -0.100 4.365 4.470 -0.008 0.000 0.228 47 S C 1.770 176.455 174.600 0.141 0.000 1.027 47 S CA 0.849 59.148 58.200 0.165 0.000 0.991 47 S CB -0.496 62.847 63.200 0.238 0.000 0.823 47 S HN 0.596 nan 8.310 nan 0.000 0.469 48 Y N 1.760 122.064 120.300 0.007 0.000 2.165 48 Y HA -0.151 4.408 4.550 0.016 0.000 0.286 48 Y C 2.119 177.921 175.900 -0.163 0.000 1.155 48 Y CA 1.816 59.859 58.100 -0.096 0.000 1.164 48 Y CB -0.406 37.960 38.460 -0.156 0.000 0.978 48 Y HN 0.103 nan 8.280 nan 0.000 0.513 49 V N -1.161 118.779 119.914 0.043 0.000 2.307 49 V HA -0.285 3.831 4.120 -0.008 0.000 0.245 49 V C 2.306 178.409 176.094 0.014 0.000 1.045 49 V CA 1.620 63.891 62.300 -0.048 0.000 1.024 49 V CB -0.853 30.832 31.823 -0.230 0.000 0.651 49 V HN 0.321 nan 8.190 nan 0.000 0.449 50 V N 1.180 121.183 119.914 0.148 0.000 2.287 50 V HA -0.228 3.887 4.120 -0.008 0.000 0.248 50 V C 2.712 178.817 176.094 0.018 0.000 1.053 50 V CA 2.307 64.687 62.300 0.133 0.000 1.027 50 V CB -1.627 30.275 31.823 0.132 0.000 0.646 50 V HN 0.606 nan 8.190 nan 0.000 0.447 51 G N -0.731 108.043 108.800 -0.043 0.000 2.513 51 G HA2 -0.303 3.652 3.960 -0.008 0.000 0.219 51 G HA3 -0.303 3.652 3.960 -0.008 0.000 0.219 51 G C 1.486 176.285 174.900 -0.168 0.000 1.160 51 G CA 0.911 45.942 45.100 -0.115 0.000 0.767 51 G HN 0.491 nan 8.290 nan 0.000 0.571 52 Q N 0.400 120.042 119.800 -0.262 0.000 2.084 52 Q HA -0.034 4.301 4.340 -0.008 0.000 0.202 52 Q C 3.026 178.985 176.000 -0.068 0.000 0.978 52 Q CA 1.412 57.088 55.803 -0.212 0.000 0.844 52 Q CB -0.703 27.880 28.738 -0.258 0.000 0.898 52 Q HN 0.475 nan 8.270 nan 0.000 0.426 53 A N 0.888 123.694 122.820 -0.025 0.000 1.933 53 A HA -0.145 4.170 4.320 -0.008 0.000 0.218 53 A C 2.252 179.840 177.584 0.006 0.000 1.175 53 A CA 1.126 53.170 52.037 0.012 0.000 0.628 53 A CB -0.669 18.359 19.000 0.046 0.000 0.814 53 A HN 0.294 nan 8.150 nan 0.000 0.444 54 L N -0.881 120.342 121.223 -0.001 0.000 2.072 54 L HA -0.138 4.197 4.340 -0.008 0.000 0.205 54 L C 2.624 179.487 176.870 -0.013 0.000 1.079 54 L CA 1.807 56.648 54.840 0.002 0.000 0.752 54 L CB -0.342 41.716 42.059 -0.002 0.000 0.906 54 L HN 0.461 nan 8.230 nan 0.000 0.436 55 K N 0.613 120.991 120.400 -0.036 0.000 2.148 55 K HA -0.123 4.192 4.320 -0.008 0.000 0.204 55 K C 1.828 178.415 176.600 -0.021 0.000 1.050 55 K CA 1.184 57.448 56.287 -0.037 0.000 0.942 55 K CB -0.011 32.449 32.500 -0.067 0.000 0.724 55 K HN 0.257 nan 8.250 nan 0.000 0.446 56 A N 1.035 123.846 122.820 -0.015 0.000 2.235 56 A HA -0.046 4.270 4.320 -0.008 0.000 0.208 56 A C 0.243 177.828 177.584 0.002 0.000 1.172 56 A CA 0.888 52.923 52.037 -0.002 0.000 0.786 56 A CB -0.254 18.749 19.000 0.006 0.000 0.804 56 A HN 0.609 nan 8.150 nan 0.000 0.479 57 D N -1.546 118.855 120.400 0.002 0.000 2.708 57 D HA -0.142 4.493 4.640 -0.008 0.000 0.236 57 D C 0.856 177.161 176.300 0.010 0.000 1.146 57 D CA 1.114 55.120 54.000 0.009 0.000 0.662 57 D CB -0.574 40.231 40.800 0.008 0.000 1.059 57 D HN 0.353 nan 8.370 nan 0.000 0.428 58 K N -0.424 119.979 120.400 0.006 0.000 2.356 58 K HA 0.240 4.556 4.320 -0.008 0.000 0.195 58 K C 1.297 177.894 176.600 -0.005 0.000 1.037 58 K CA 0.493 56.776 56.287 -0.006 0.000 1.014 58 K CB 0.337 32.828 32.500 -0.016 0.000 0.815 58 K HN 0.681 nan 8.250 nan 0.000 0.507 59 I N -2.502 118.085 120.570 0.029 0.000 2.865 59 I HA 0.439 4.604 4.170 -0.008 0.000 0.302 59 I C -1.184 174.987 176.117 0.089 0.000 1.140 59 I CA -1.127 60.228 61.300 0.092 0.000 1.021 59 I CB 2.440 40.532 38.000 0.154 0.000 1.233 59 I HN -0.282 nan 8.210 nan 0.000 0.427 60 K N 3.488 123.955 120.400 0.111 0.000 2.267 60 K HA 0.519 4.835 4.320 -0.008 0.000 0.246 60 K C 0.333 176.968 176.600 0.058 0.000 0.954 60 K CA -0.853 55.475 56.287 0.069 0.000 0.824 60 K CB 2.730 35.263 32.500 0.054 0.000 1.167 60 K HN 0.616 nan 8.250 nan 0.000 0.431 61 L N 0.783 122.024 121.223 0.030 0.000 2.129 61 L HA -0.223 4.113 4.340 -0.008 0.000 0.212 61 L C 2.039 178.912 176.870 0.006 0.000 1.087 61 L CA 1.734 56.581 54.840 0.012 0.000 0.757 61 L CB -0.687 41.372 42.059 0.001 0.000 0.896 61 L HN 0.842 nan 8.230 nan 0.000 0.434 62 T N -5.264 109.297 114.554 0.012 0.000 3.107 62 T HA 0.071 4.416 4.350 -0.008 0.000 0.249 62 T C 0.502 175.201 174.700 -0.003 0.000 1.096 62 T CA -0.450 61.653 62.100 0.006 0.000 1.012 62 T CB -0.291 68.584 68.868 0.011 0.000 0.977 62 T HN 0.019 nan 8.240 nan 0.000 0.527 63 D N 2.590 122.991 120.400 0.003 0.000 2.424 63 D HA 0.181 4.817 4.640 -0.008 0.000 0.244 63 D C 0.229 176.457 176.300 -0.118 0.000 1.134 63 D CA 0.209 54.199 54.000 -0.016 0.000 0.881 63 D CB 0.528 41.366 40.800 0.064 0.000 1.191 63 D HN 0.158 nan 8.370 nan 0.000 0.445 64 M N 1.862 121.389 119.600 -0.122 0.000 2.188 64 M HA 0.224 4.699 4.480 -0.008 0.000 0.357 64 M C -0.074 176.048 176.300 -0.296 0.000 1.204 64 M CA -0.903 54.302 55.300 -0.158 0.000 1.095 64 M CB 1.063 33.617 32.600 -0.077 0.000 1.604 64 M HN 0.125 nan 8.290 nan 0.000 0.464 65 V N 3.395 123.109 119.914 -0.333 0.000 2.513 65 V HA 0.595 4.710 4.120 -0.008 0.000 0.299 65 V C -0.224 175.767 176.094 -0.170 0.000 1.035 65 V CA -0.227 61.830 62.300 -0.405 0.000 0.889 65 V CB 1.882 33.334 31.823 -0.618 0.000 0.988 65 V HN 0.892 nan 8.190 nan 0.000 0.440 66 T N 6.170 120.663 114.554 -0.101 0.000 2.771 66 T HA 0.443 4.788 4.350 -0.008 0.000 0.291 66 T C -0.113 174.569 174.700 -0.030 0.000 0.954 66 T CA -0.103 61.970 62.100 -0.045 0.000 1.045 66 T CB 1.081 69.941 68.868 -0.015 0.000 0.917 66 T HN 0.671 nan 8.240 nan 0.000 0.484 67 V N 3.764 123.656 119.914 -0.037 0.000 2.530 67 V HA 0.530 4.645 4.120 -0.008 0.000 0.282 67 V C 1.064 177.146 176.094 -0.021 0.000 1.048 67 V CA -0.310 61.974 62.300 -0.028 0.000 0.997 67 V CB 1.241 33.040 31.823 -0.040 0.000 0.987 67 V HN 1.019 nan 8.190 nan 0.000 0.477 68 G N 3.286 112.095 108.800 0.014 0.000 2.511 68 G HA2 0.353 4.308 3.960 -0.008 0.000 0.316 68 G HA3 0.353 4.308 3.960 -0.008 0.000 0.316 68 G C 0.589 175.533 174.900 0.073 0.000 1.210 68 G CA -0.635 44.486 45.100 0.035 0.000 0.969 68 G HN 0.693 nan 8.290 nan 0.000 0.492 69 K N -0.095 120.375 120.400 0.117 0.000 2.360 69 K HA -0.090 4.226 4.320 -0.008 0.000 0.201 69 K C 1.482 178.238 176.600 0.260 0.000 1.046 69 K CA 1.309 57.750 56.287 0.257 0.000 0.945 69 K CB 0.089 32.739 32.500 0.250 0.000 0.750 69 K HN 0.622 nan 8.250 nan 0.000 0.464 70 D N 0.717 121.211 120.400 0.157 0.000 2.378 70 D HA -0.069 4.567 4.640 -0.008 0.000 0.227 70 D C 0.743 177.127 176.300 0.139 0.000 1.012 70 D CA 0.375 54.452 54.000 0.129 0.000 0.905 70 D CB 0.043 40.894 40.800 0.085 0.000 0.895 70 D HN 0.082 nan 8.370 nan 0.000 0.532 71 A N -0.334 122.591 122.820 0.175 0.000 2.965 71 A HA 0.457 4.773 4.320 -0.008 0.000 0.304 71 A C -1.145 176.583 177.584 0.240 0.000 1.214 71 A CA -0.732 51.392 52.037 0.146 0.000 0.977 71 A CB -0.512 18.536 19.000 0.079 0.000 1.127 71 A HN 0.234 nan 8.150 nan 0.000 0.572 72 W N -1.097 120.206 121.300 0.004 0.000 4.020 72 W HA 0.479 5.133 4.660 -0.009 0.000 0.293 72 W C 0.344 176.871 176.519 0.013 0.000 1.236 72 W CA -0.657 56.699 57.345 0.018 0.000 1.265 72 W CB 0.739 30.219 29.460 0.032 0.000 1.248 72 W HN 0.199 nan 8.180 nan 0.000 0.501 73 A N 2.787 125.557 122.820 -0.083 0.000 1.883 73 A HA -0.153 4.162 4.320 -0.008 0.000 0.217 73 A C 1.783 179.117 177.584 -0.417 0.000 1.186 73 A CA 2.866 54.782 52.037 -0.202 0.000 0.624 73 A CB -0.966 17.962 19.000 -0.120 0.000 0.822 73 A HN 0.722 nan 8.150 nan 0.000 0.444 74 T N -0.270 113.763 114.554 -0.868 0.000 2.592 74 T HA -0.190 4.155 4.350 -0.008 0.000 0.267 74 T C 1.758 176.033 174.700 -0.708 0.000 1.060 74 T CA 1.972 63.458 62.100 -1.024 0.000 1.167 74 T CB -0.691 67.028 68.868 -1.915 0.000 0.863 74 T HN 0.631 nan 8.240 nan 0.000 0.431 75 G N 0.459 108.879 108.800 -0.634 0.000 2.920 75 G HA2 0.038 3.993 3.960 -0.008 0.000 0.208 75 G HA3 0.038 3.993 3.960 -0.008 0.000 0.208 75 G C 0.487 175.369 174.900 -0.030 0.000 1.159 75 G CA -0.094 44.940 45.100 -0.110 0.000 0.784 75 G HN 0.454 nan 8.290 nan 0.000 0.535 76 N N -0.428 118.225 118.700 -0.077 0.000 2.701 76 N HA 0.247 4.982 4.740 -0.008 0.000 0.258 76 N C -2.444 173.029 175.510 -0.061 0.000 1.262 76 N CA -1.445 51.590 53.050 -0.026 0.000 0.780 76 N CB 1.947 40.453 38.487 0.031 0.000 1.380 76 N HN -0.234 nan 8.380 nan 0.000 0.548 77 P HA -0.029 nan 4.420 nan 0.000 0.221 77 P C 1.037 178.302 177.300 -0.058 0.000 1.145 77 P CA 0.867 63.924 63.100 -0.071 0.000 0.795 77 P CB 0.273 31.939 31.700 -0.055 0.000 0.775 78 A N -0.662 122.134 122.820 -0.041 0.000 2.131 78 A HA -0.135 4.180 4.320 -0.008 0.000 0.220 78 A C 2.004 179.529 177.584 -0.098 0.000 1.158 78 A CA 1.208 53.217 52.037 -0.048 0.000 0.665 78 A CB -1.437 17.560 19.000 -0.005 0.000 0.795 78 A HN 0.201 nan 8.150 nan 0.000 0.460 79 L N -0.981 120.185 121.223 -0.096 0.000 2.446 79 L HA 0.056 4.391 4.340 -0.008 0.000 0.219 79 L C 0.709 177.516 176.870 -0.104 0.000 1.116 79 L CA -0.291 54.475 54.840 -0.123 0.000 0.844 79 L CB -0.193 41.810 42.059 -0.093 0.000 0.970 79 L HN 0.244 nan 8.230 nan 0.000 0.457 80 R N 1.086 121.537 120.500 -0.082 0.000 2.494 80 R HA 0.018 4.353 4.340 -0.008 0.000 0.291 80 R C 1.177 177.445 176.300 -0.053 0.000 0.953 80 R CA 1.014 57.079 56.100 -0.059 0.000 1.098 80 R CB -0.113 30.155 30.300 -0.053 0.000 0.911 80 R HN 0.402 nan 8.270 nan 0.000 0.407 81 G N 1.614 110.393 108.800 -0.035 0.000 2.199 81 G HA2 -0.335 3.621 3.960 -0.008 0.000 0.254 81 G HA3 -0.335 3.621 3.960 -0.008 0.000 0.254 81 G C 0.202 175.078 174.900 -0.040 0.000 0.982 81 G CA 0.454 45.540 45.100 -0.023 0.000 0.632 81 G HN 0.734 nan 8.290 nan 0.000 0.529 82 S N -0.554 115.100 115.700 -0.076 0.000 2.713 82 S HA 0.740 5.205 4.470 -0.008 0.000 0.283 82 S C 0.441 174.975 174.600 -0.109 0.000 1.161 82 S CA 0.548 58.693 58.200 -0.092 0.000 0.999 82 S CB 1.844 64.963 63.200 -0.135 0.000 1.039 82 S HN 1.255 nan 8.310 nan 0.000 0.548 83 S N 0.403 116.049 115.700 -0.089 0.000 2.525 83 S HA 0.435 4.900 4.470 -0.008 0.000 0.285 83 S C -0.199 174.299 174.600 -0.170 0.000 1.283 83 S CA -0.218 57.924 58.200 -0.097 0.000 1.072 83 S CB -1.201 61.976 63.200 -0.039 0.000 0.867 83 S HN 1.361 nan 8.310 nan 0.000 0.492 84 V N 3.884 123.625 119.914 -0.288 0.000 3.049 84 V HA 0.484 4.599 4.120 -0.008 0.000 0.309 84 V C 0.535 176.416 176.094 -0.356 0.000 1.148 84 V CA -0.988 61.094 62.300 -0.364 0.000 0.990 84 V CB 1.830 33.322 31.823 -0.551 0.000 1.039 84 V HN 0.867 nan 8.190 nan 0.000 0.430 85 M N 1.232 120.721 119.600 -0.186 0.000 2.562 85 M HA 0.372 4.847 4.480 -0.008 0.000 0.257 85 M C -0.153 176.268 176.300 0.202 0.000 1.099 85 M CA 1.161 56.450 55.300 -0.019 0.000 1.099 85 M CB -0.277 32.244 32.600 -0.132 0.000 1.427 85 M HN 0.777 nan 8.290 nan 0.000 0.489 86 F N -0.338 119.684 119.950 0.120 0.000 2.950 86 F HA -0.187 4.337 4.527 -0.005 0.000 0.334 86 F C -0.530 175.365 175.800 0.159 0.000 0.979 86 F CA -0.621 57.468 58.000 0.149 0.000 1.140 86 F CB -1.639 37.441 39.000 0.134 0.000 1.281 86 F HN -0.030 nan 8.300 nan 0.000 0.734 87 L N 1.031 122.392 121.223 0.230 0.000 2.439 87 L HA 0.516 4.851 4.340 -0.008 0.000 0.261 87 L C 0.397 177.288 176.870 0.035 0.000 1.153 87 L CA -0.421 54.505 54.840 0.143 0.000 0.808 87 L CB 1.127 43.230 42.059 0.072 0.000 1.126 87 L HN 0.131 nan 8.230 nan 0.000 0.460 88 K N 2.169 122.489 120.400 -0.133 0.000 2.422 88 K HA 0.472 4.787 4.320 -0.008 0.000 0.251 88 K C -2.483 173.829 176.600 -0.480 0.000 0.933 88 K CA -1.800 54.178 56.287 -0.514 0.000 0.798 88 K CB 2.060 34.309 32.500 -0.418 0.000 1.238 88 K HN 0.266 nan 8.250 nan 0.000 0.428 89 P HA -0.099 nan 4.420 nan 0.000 0.266 89 P C 0.664 177.809 177.300 -0.259 0.000 1.193 89 P CA 1.131 63.999 63.100 -0.387 0.000 0.770 89 P CB 0.471 31.914 31.700 -0.428 0.000 0.836 90 G N 1.632 110.347 108.800 -0.143 0.000 2.284 90 G HA2 -0.257 3.698 3.960 -0.008 0.000 0.261 90 G HA3 -0.257 3.698 3.960 -0.008 0.000 0.261 90 G C 0.080 174.932 174.900 -0.081 0.000 0.997 90 G CA 0.146 45.188 45.100 -0.098 0.000 0.621 90 G HN 0.527 nan 8.290 nan 0.000 0.534 91 D N 1.421 121.766 120.400 -0.091 0.000 2.506 91 D HA 0.329 4.964 4.640 -0.008 0.000 0.234 91 D C 0.726 177.010 176.300 -0.028 0.000 1.143 91 D CA 0.727 54.700 54.000 -0.046 0.000 0.871 91 D CB 0.442 41.234 40.800 -0.013 0.000 1.190 91 D HN 0.296 nan 8.370 nan 0.000 0.459 92 Q N 0.990 120.782 119.800 -0.014 0.000 2.325 92 Q HA 0.486 4.822 4.340 -0.008 0.000 0.262 92 Q C -0.817 175.193 176.000 0.016 0.000 0.968 92 Q CA -0.679 55.114 55.803 -0.018 0.000 0.877 92 Q CB 2.028 30.752 28.738 -0.023 0.000 1.253 92 Q HN 0.133 nan 8.270 nan 0.000 0.448 93 V N 1.099 121.014 119.914 0.001 0.000 2.686 93 V HA 0.267 4.383 4.120 -0.008 0.000 0.306 93 V C 0.308 176.389 176.094 -0.021 0.000 1.065 93 V CA -0.857 61.475 62.300 0.055 0.000 0.894 93 V CB 2.126 33.994 31.823 0.076 0.000 1.004 93 V HN 0.758 nan 8.190 nan 0.000 0.424 94 S N 2.044 117.754 115.700 0.018 0.000 2.561 94 S HA 0.038 4.504 4.470 -0.008 0.000 0.294 94 S C 1.370 175.930 174.600 -0.066 0.000 1.294 94 S CA -0.046 58.142 58.200 -0.019 0.000 1.055 94 S CB 0.909 64.128 63.200 0.031 0.000 0.819 94 S HN 0.560 nan 8.310 nan 0.000 0.503 95 V N 5.206 125.065 119.914 -0.092 0.000 2.282 95 V HA -0.295 3.821 4.120 -0.008 0.000 0.249 95 V C 2.510 178.571 176.094 -0.056 0.000 1.057 95 V CA 2.449 64.708 62.300 -0.068 0.000 1.032 95 V CB -1.303 30.514 31.823 -0.010 0.000 0.645 95 V HN 1.013 nan 8.190 nan 0.000 0.447 96 A N -0.385 122.411 122.820 -0.040 0.000 1.917 96 A HA -0.297 4.018 4.320 -0.008 0.000 0.219 96 A C 2.021 179.552 177.584 -0.088 0.000 1.182 96 A CA 2.252 54.257 52.037 -0.053 0.000 0.633 96 A CB -0.676 18.309 19.000 -0.025 0.000 0.819 96 A HN 0.567 nan 8.150 nan 0.000 0.448 97 D N -0.182 120.198 120.400 -0.033 0.000 2.117 97 D HA -0.075 4.560 4.640 -0.008 0.000 0.198 97 D C 1.962 178.159 176.300 -0.173 0.000 0.982 97 D CA 1.020 55.010 54.000 -0.017 0.000 0.828 97 D CB -0.272 40.622 40.800 0.156 0.000 0.967 97 D HN 0.464 nan 8.370 nan 0.000 0.464 98 L N 0.457 121.585 121.223 -0.159 0.000 2.109 98 L HA -0.120 4.215 4.340 -0.008 0.000 0.207 98 L C 2.149 178.903 176.870 -0.192 0.000 1.086 98 L CA 0.604 55.333 54.840 -0.186 0.000 0.760 98 L CB -0.352 41.626 42.059 -0.135 0.000 0.910 98 L HN -0.016 nan 8.230 nan 0.000 0.437 99 N N 0.710 119.306 118.700 -0.174 0.000 2.104 99 N HA -0.200 4.536 4.740 -0.008 0.000 0.190 99 N C 1.739 177.071 175.510 -0.297 0.000 1.024 99 N CA 1.508 54.450 53.050 -0.179 0.000 0.853 99 N CB 0.059 38.471 38.487 -0.125 0.000 1.008 99 N HN 0.172 nan 8.380 nan 0.000 0.424 100 K N -0.780 119.344 120.400 -0.460 0.000 2.097 100 K HA 0.000 4.316 4.320 -0.008 0.000 0.206 100 K C 2.047 178.140 176.600 -0.845 0.000 1.049 100 K CA 1.138 56.935 56.287 -0.817 0.000 0.933 100 K CB -0.401 31.294 32.500 -1.342 0.000 0.717 100 K HN 0.273 nan 8.250 nan 0.000 0.442 101 G N 1.022 109.486 108.800 -0.559 0.000 2.446 101 G HA2 -0.232 3.724 3.960 -0.008 0.000 0.217 101 G HA3 -0.232 3.724 3.960 -0.008 0.000 0.217 101 G C 1.580 176.405 174.900 -0.125 0.000 1.168 101 G CA 0.846 45.855 45.100 -0.151 0.000 0.771 101 G HN 0.088 nan 8.290 nan 0.000 0.551 102 V N 1.072 120.892 119.914 -0.157 0.000 2.255 102 V HA -0.184 3.931 4.120 -0.008 0.000 0.247 102 V C 2.776 178.794 176.094 -0.126 0.000 1.051 102 V CA 1.853 64.088 62.300 -0.108 0.000 1.018 102 V CB -0.416 31.352 31.823 -0.093 0.000 0.641 102 V HN 0.390 nan 8.190 nan 0.000 0.445 103 I N -0.829 119.603 120.570 -0.230 0.000 2.235 103 I HA -0.160 4.005 4.170 -0.008 0.000 0.241 103 I C 2.202 178.171 176.117 -0.246 0.000 1.085 103 I CA 1.674 62.769 61.300 -0.341 0.000 1.378 103 I CB -0.186 37.473 38.000 -0.569 0.000 1.076 103 I HN 0.204 nan 8.210 nan 0.000 0.415 104 I N -0.202 120.240 120.570 -0.215 0.000 2.339 104 I HA -0.199 3.966 4.170 -0.008 0.000 0.245 104 I C 2.467 178.626 176.117 0.070 0.000 1.096 104 I CA 1.089 62.350 61.300 -0.064 0.000 1.408 104 I CB -0.177 37.806 38.000 -0.029 0.000 1.092 104 I HN 0.256 nan 8.210 nan 0.000 0.423 105 Q N 0.560 120.423 119.800 0.105 0.000 2.402 105 Q HA 0.018 4.353 4.340 -0.008 0.000 0.206 105 Q C 0.355 176.399 176.000 0.073 0.000 0.919 105 Q CA 0.221 56.112 55.803 0.147 0.000 0.923 105 Q CB 0.617 29.501 28.738 0.242 0.000 1.048 105 Q HN 0.327 nan 8.270 nan 0.000 0.515 106 S N 0.221 115.940 115.700 0.032 0.000 3.559 106 S HA -0.174 4.291 4.470 -0.008 0.000 0.369 106 S C 0.144 174.744 174.600 0.000 0.000 0.987 106 S CA 0.314 58.526 58.200 0.020 0.000 1.187 106 S CB -1.601 61.627 63.200 0.046 0.000 0.914 106 S HN 0.652 nan 8.310 nan 0.000 0.480 107 G N 1.101 109.890 108.800 -0.017 0.000 2.356 107 G HA2 0.287 4.242 3.960 -0.008 0.000 0.273 107 G HA3 0.287 4.242 3.960 -0.008 0.000 0.273 107 G C 0.806 175.674 174.900 -0.054 0.000 1.213 107 G CA -0.531 44.538 45.100 -0.051 0.000 0.955 107 G HN 0.473 nan 8.290 nan 0.000 0.454 108 N N 2.287 120.944 118.700 -0.071 0.000 2.270 108 N HA -0.121 4.614 4.740 -0.008 0.000 0.181 108 N C 1.772 177.270 175.510 -0.021 0.000 1.016 108 N CA 1.405 54.422 53.050 -0.055 0.000 0.870 108 N CB 0.130 38.505 38.487 -0.188 0.000 0.979 108 N HN 0.730 nan 8.380 nan 0.000 0.431 109 D N 1.212 121.579 120.400 -0.055 0.000 2.144 109 D HA -0.074 4.561 4.640 -0.008 0.000 0.200 109 D C 1.747 178.026 176.300 -0.035 0.000 0.978 109 D CA 1.059 55.046 54.000 -0.022 0.000 0.833 109 D CB -0.623 40.167 40.800 -0.017 0.000 0.961 109 D HN 0.129 nan 8.370 nan 0.000 0.470 110 A N 0.514 123.293 122.820 -0.069 0.000 1.940 110 A HA -0.172 4.143 4.320 -0.008 0.000 0.219 110 A C 2.564 180.092 177.584 -0.094 0.000 1.176 110 A CA 1.565 53.545 52.037 -0.095 0.000 0.631 110 A CB -1.179 17.747 19.000 -0.124 0.000 0.814 110 A HN 0.454 nan 8.150 nan 0.000 0.446 111 C N -0.757 118.498 119.300 -0.075 0.000 2.413 111 C HA -0.135 4.320 4.460 -0.008 0.000 0.276 111 C C 2.569 177.452 174.990 -0.178 0.000 1.236 111 C CA 1.144 60.092 59.018 -0.116 0.000 1.735 111 C CB -1.337 26.387 27.740 -0.027 0.000 2.031 111 C HN 0.642 nan 8.230 nan 0.000 0.474 112 I N 1.033 121.558 120.570 -0.075 0.000 2.252 112 I HA -0.169 3.997 4.170 -0.008 0.000 0.245 112 I C 2.710 178.778 176.117 -0.081 0.000 1.102 112 I CA 1.489 62.745 61.300 -0.074 0.000 1.385 112 I CB -0.496 37.519 38.000 0.025 0.000 1.064 112 I HN 0.284 nan 8.210 nan 0.000 0.414 113 A N 0.394 123.181 122.820 -0.056 0.000 1.930 113 A HA -0.171 4.144 4.320 -0.008 0.000 0.217 113 A C 2.185 179.753 177.584 -0.027 0.000 1.175 113 A CA 1.359 53.377 52.037 -0.031 0.000 0.627 113 A CB -0.590 18.386 19.000 -0.039 0.000 0.815 113 A HN 0.331 nan 8.150 nan 0.000 0.443 114 L N -0.607 120.569 121.223 -0.078 0.000 2.131 114 L HA 0.122 4.457 4.340 -0.008 0.000 0.206 114 L C 2.740 179.533 176.870 -0.128 0.000 1.087 114 L CA 1.609 56.422 54.840 -0.045 0.000 0.767 114 L CB -0.917 41.093 42.059 -0.082 0.000 0.917 114 L HN 0.355 nan 8.230 nan 0.000 0.441 115 A N -0.591 121.982 122.820 -0.413 0.000 1.883 115 A HA -0.250 4.065 4.320 -0.008 0.000 0.217 115 A C 1.993 179.518 177.584 -0.099 0.000 1.186 115 A CA 2.081 53.740 52.037 -0.629 0.000 0.624 115 A CB -0.784 17.731 19.000 -0.809 0.000 0.822 115 A HN 0.469 nan 8.150 nan 0.000 0.444 116 D N -1.913 118.466 120.400 -0.036 0.000 2.117 116 D HA -0.145 4.490 4.640 -0.008 0.000 0.197 116 D C 1.692 178.052 176.300 0.100 0.000 0.987 116 D CA 1.531 55.561 54.000 0.049 0.000 0.829 116 D CB -0.421 40.412 40.800 0.055 0.000 0.961 116 D HN 0.595 nan 8.370 nan 0.000 0.460 117 Y N 1.420 121.718 120.300 -0.003 0.000 2.163 117 Y HA -0.159 4.385 4.550 -0.010 0.000 0.288 117 Y C 2.222 178.153 175.900 0.052 0.000 1.136 117 Y CA 0.906 59.016 58.100 0.017 0.000 1.147 117 Y CB -0.435 38.026 38.460 0.001 0.000 0.987 117 Y HN -0.216 nan 8.280 nan 0.000 0.509 118 V N -0.163 119.763 119.914 0.019 0.000 2.295 118 V HA -0.237 3.879 4.120 -0.008 0.000 0.246 118 V C 2.181 178.297 176.094 0.036 0.000 1.049 118 V CA 2.119 64.432 62.300 0.023 0.000 1.024 118 V CB -1.159 30.824 31.823 0.266 0.000 0.648 118 V HN 0.522 nan 8.190 nan 0.000 0.447 119 A N -2.190 120.709 122.820 0.131 0.000 2.508 119 A HA 0.526 4.841 4.320 -0.008 0.000 0.250 119 A C 1.811 179.438 177.584 0.071 0.000 1.208 119 A CA 1.057 53.167 52.037 0.121 0.000 0.960 119 A CB 0.630 19.775 19.000 0.241 0.000 1.099 119 A HN 1.040 nan 8.150 nan 0.000 0.542 120 G N -0.282 108.548 108.800 0.050 0.000 2.304 120 G HA2 -0.197 3.758 3.960 -0.008 0.000 0.252 120 G HA3 -0.197 3.758 3.960 -0.008 0.000 0.252 120 G C 0.432 175.364 174.900 0.052 0.000 1.014 120 G CA 0.906 46.030 45.100 0.039 0.000 0.619 120 G HN 2.079 nan 8.290 nan 0.000 0.525 121 S N -1.802 113.941 115.700 0.070 0.000 2.588 121 S HA 0.613 5.079 4.470 -0.008 0.000 0.269 121 S C 0.428 175.079 174.600 0.085 0.000 1.157 121 S CA 0.309 58.547 58.200 0.063 0.000 0.824 121 S CB 1.340 64.572 63.200 0.053 0.000 1.126 121 S HN 0.203 nan 8.310 nan 0.000 0.464 122 Q N 0.849 120.681 119.800 0.052 0.000 2.077 122 Q HA -0.189 4.147 4.340 -0.008 0.000 0.206 122 Q C 1.924 177.984 176.000 0.101 0.000 0.989 122 Q CA 2.162 57.997 55.803 0.053 0.000 0.853 122 Q CB -0.299 28.440 28.738 0.001 0.000 0.907 122 Q HN 0.860 nan 8.270 nan 0.000 0.418 123 E N 0.361 120.606 120.200 0.074 0.000 2.077 123 E HA -0.135 4.211 4.350 -0.008 0.000 0.193 123 E C 2.003 178.651 176.600 0.080 0.000 0.989 123 E CA 1.235 57.676 56.400 0.069 0.000 0.800 123 E CB -0.364 29.364 29.700 0.047 0.000 0.746 123 E HN 0.096 nan 8.360 nan 0.000 0.452 124 S N 0.676 116.426 115.700 0.084 0.000 2.368 124 S HA -0.090 4.375 4.470 -0.008 0.000 0.225 124 S C 1.514 176.171 174.600 0.095 0.000 1.030 124 S CA 1.084 59.328 58.200 0.073 0.000 0.999 124 S CB -0.474 62.766 63.200 0.065 0.000 0.844 124 S HN 0.324 nan 8.310 nan 0.000 0.459 125 F N 1.922 121.877 119.950 0.008 0.000 2.102 125 F HA -0.062 4.458 4.527 -0.012 0.000 0.298 125 F C 1.815 177.627 175.800 0.020 0.000 1.105 125 F CA 1.229 59.238 58.000 0.014 0.000 1.239 125 F CB -0.274 38.727 39.000 0.002 0.000 0.991 125 F HN 0.107 nan 8.300 nan 0.000 0.474 126 I N 0.178 120.882 120.570 0.223 0.000 2.335 126 I HA -0.255 3.910 4.170 -0.008 0.000 0.251 126 I C 2.725 178.879 176.117 0.062 0.000 1.129 126 I CA 1.370 62.752 61.300 0.136 0.000 1.402 126 I CB -1.233 36.843 38.000 0.127 0.000 1.069 126 I HN 0.287 nan 8.210 nan 0.000 0.424 127 G N 1.018 109.837 108.800 0.031 0.000 2.440 127 G HA2 -0.202 3.753 3.960 -0.008 0.000 0.218 127 G HA3 -0.202 3.753 3.960 -0.008 0.000 0.218 127 G C 1.687 176.555 174.900 -0.054 0.000 1.154 127 G CA 0.630 45.728 45.100 -0.003 0.000 0.767 127 G HN 0.306 nan 8.290 nan 0.000 0.552 128 L N -0.341 120.809 121.223 -0.121 0.000 2.093 128 L HA -0.017 4.319 4.340 -0.008 0.000 0.208 128 L C 3.076 179.909 176.870 -0.062 0.000 1.085 128 L CA 0.842 55.579 54.840 -0.171 0.000 0.755 128 L CB -0.342 41.565 42.059 -0.254 0.000 0.904 128 L HN 0.228 nan 8.230 nan 0.000 0.435 129 M N -0.387 119.163 119.600 -0.083 0.000 2.065 129 M HA -0.210 4.265 4.480 -0.008 0.000 0.259 129 M C 2.017 178.448 176.300 0.219 0.000 1.069 129 M CA 1.738 57.063 55.300 0.042 0.000 1.110 129 M CB -0.511 32.066 32.600 -0.038 0.000 1.328 129 M HN 0.260 nan 8.290 nan 0.000 0.405 130 N N 0.296 119.108 118.700 0.187 0.000 2.309 130 N HA -0.070 4.666 4.740 -0.008 0.000 0.182 130 N C 1.771 177.318 175.510 0.061 0.000 1.018 130 N CA 1.490 54.633 53.050 0.155 0.000 0.876 130 N CB -0.524 38.025 38.487 0.103 0.000 0.972 130 N HN 0.463 nan 8.380 nan 0.000 0.434 131 G N 0.092 108.882 108.800 -0.016 0.000 2.421 131 G HA2 -0.239 3.716 3.960 -0.008 0.000 0.216 131 G HA3 -0.239 3.716 3.960 -0.008 0.000 0.216 131 G C 1.208 176.047 174.900 -0.102 0.000 1.171 131 G CA 0.489 45.522 45.100 -0.111 0.000 0.775 131 G HN 0.269 nan 8.290 nan 0.000 0.543 132 Y N 1.326 121.636 120.300 0.016 0.000 2.293 132 Y HA 0.118 4.674 4.550 0.008 0.000 0.291 132 Y C 3.093 178.975 175.900 -0.030 0.000 1.137 132 Y CA 0.445 58.547 58.100 0.003 0.000 1.202 132 Y CB -0.467 38.001 38.460 0.013 0.000 0.990 132 Y HN 0.266 nan 8.280 nan 0.000 0.537 133 A N 0.128 123.053 122.820 0.174 0.000 1.908 133 A HA -0.253 4.063 4.320 -0.008 0.000 0.218 133 A C 2.164 179.771 177.584 0.039 0.000 1.181 133 A CA 2.088 54.190 52.037 0.110 0.000 0.627 133 A CB -0.529 18.549 19.000 0.131 0.000 0.818 133 A HN 0.340 nan 8.150 nan 0.000 0.445 134 K N -0.371 120.045 120.400 0.027 0.000 2.057 134 K HA -0.099 4.216 4.320 -0.008 0.000 0.207 134 K C 2.115 178.719 176.600 0.006 0.000 1.049 134 K CA 1.684 57.972 56.287 0.001 0.000 0.931 134 K CB -0.153 32.340 32.500 -0.011 0.000 0.714 134 K HN 0.454 nan 8.250 nan 0.000 0.440 135 K N 0.581 120.994 120.400 0.021 0.000 2.103 135 K HA -0.089 4.226 4.320 -0.008 0.000 0.207 135 K C 1.411 178.036 176.600 0.042 0.000 1.048 135 K CA 1.249 57.560 56.287 0.041 0.000 0.930 135 K CB 0.019 32.573 32.500 0.089 0.000 0.716 135 K HN 0.056 nan 8.250 nan 0.000 0.444 136 L N -1.102 120.140 121.223 0.032 0.000 2.591 136 L HA 0.187 4.523 4.340 -0.008 0.000 0.228 136 L C 0.896 177.754 176.870 -0.019 0.000 1.133 136 L CA 0.340 55.178 54.840 -0.004 0.000 0.880 136 L CB 0.384 42.407 42.059 -0.061 0.000 1.033 136 L HN 0.533 nan 8.230 nan 0.000 0.450 137 G N 0.569 109.360 108.800 -0.015 0.000 2.130 137 G HA2 -0.234 3.721 3.960 -0.008 0.000 0.216 137 G HA3 -0.234 3.721 3.960 -0.008 0.000 0.216 137 G C 0.175 175.056 174.900 -0.032 0.000 0.999 137 G CA -0.494 44.591 45.100 -0.024 0.000 0.686 137 G HN 0.195 nan 8.290 nan 0.000 0.515 138 L N 2.373 123.578 121.223 -0.031 0.000 2.391 138 L HA 0.202 4.537 4.340 -0.008 0.000 0.249 138 L C 2.167 179.004 176.870 -0.055 0.000 1.308 138 L CA 0.437 55.252 54.840 -0.042 0.000 1.209 138 L CB -0.337 41.700 42.059 -0.038 0.000 1.401 138 L HN 0.434 nan 8.230 nan 0.000 0.416 139 T N -3.214 111.309 114.554 -0.052 0.000 3.035 139 T HA -0.066 4.279 4.350 -0.008 0.000 0.268 139 T C 1.183 175.845 174.700 -0.063 0.000 1.109 139 T CA 0.667 62.735 62.100 -0.052 0.000 1.119 139 T CB -0.012 68.828 68.868 -0.047 0.000 0.900 139 T HN 0.365 nan 8.240 nan 0.000 0.503 140 N N 1.047 119.703 118.700 -0.072 0.000 2.275 140 N HA 0.205 4.940 4.740 -0.008 0.000 0.236 140 N C -0.819 174.640 175.510 -0.087 0.000 1.154 140 N CA -0.002 53.001 53.050 -0.079 0.000 0.866 140 N CB 1.181 39.621 38.487 -0.079 0.000 1.093 140 N HN 0.358 nan 8.380 nan 0.000 0.515 141 T N -0.176 114.303 114.554 -0.125 0.000 2.824 141 T HA 0.353 4.698 4.350 -0.008 0.000 0.282 141 T C -0.406 174.118 174.700 -0.293 0.000 0.993 141 T CA -0.300 61.653 62.100 -0.245 0.000 0.967 141 T CB 2.553 71.233 68.868 -0.315 0.000 0.960 141 T HN -0.174 nan 8.240 nan 0.000 0.441 142 T N 3.260 117.612 114.554 -0.335 0.000 2.937 142 T HA 0.637 4.982 4.350 -0.008 0.000 0.297 142 T C -1.362 173.129 174.700 -0.350 0.000 0.991 142 T CA -0.538 61.403 62.100 -0.263 0.000 0.990 142 T CB 0.084 68.927 68.868 -0.041 0.000 0.991 142 T HN 0.301 nan 8.240 nan 0.000 0.440 143 F N 3.442 123.408 119.950 0.028 0.000 2.408 143 F HA 0.458 4.961 4.527 -0.039 0.000 0.344 143 F C 1.552 177.354 175.800 0.004 0.000 1.112 143 F CA -0.685 57.324 58.000 0.015 0.000 1.096 143 F CB 1.760 40.780 39.000 0.034 0.000 1.129 143 F HN 0.457 nan 8.300 nan 0.000 0.486 144 Q N 0.973 120.872 119.800 0.165 0.000 2.217 144 Q HA 0.155 4.490 4.340 -0.008 0.000 0.217 144 Q C 0.120 176.151 176.000 0.051 0.000 0.844 144 Q CA 0.222 56.074 55.803 0.081 0.000 0.957 144 Q CB 0.996 29.747 28.738 0.022 0.000 1.127 144 Q HN 0.802 nan 8.270 nan 0.000 0.503 145 T N -3.258 111.320 114.554 0.040 0.000 2.868 145 T HA 0.345 4.691 4.350 -0.008 0.000 0.306 145 T C 0.783 175.375 174.700 -0.180 0.000 1.224 145 T CA -0.410 61.615 62.100 -0.124 0.000 1.012 145 T CB 1.523 70.296 68.868 -0.159 0.000 1.221 145 T HN -0.133 nan 8.240 nan 0.000 0.499 146 V N -0.348 119.334 119.914 -0.387 0.000 3.461 146 V HA 0.175 4.290 4.120 -0.008 0.000 0.267 146 V C 1.295 177.253 176.094 -0.227 0.000 1.186 146 V CA 1.630 63.783 62.300 -0.244 0.000 1.154 146 V CB -1.744 29.894 31.823 -0.308 0.000 0.802 146 V HN 1.079 nan 8.190 nan 0.000 0.474 147 H N -1.172 117.891 119.070 -0.012 0.000 3.255 147 H HA 0.603 5.154 4.556 -0.009 0.000 0.256 147 H C 1.604 176.935 175.328 0.005 0.000 1.049 147 H CA -0.272 55.764 56.048 -0.020 0.000 1.202 147 H CB 0.248 29.990 29.762 -0.032 0.000 1.497 147 H HN 0.521 nan 8.280 nan 0.000 0.503 148 G N 0.734 109.695 108.800 0.267 0.000 2.176 148 G HA2 -0.251 3.704 3.960 -0.008 0.000 0.232 148 G HA3 -0.251 3.704 3.960 -0.008 0.000 0.232 148 G C 0.018 175.035 174.900 0.194 0.000 0.986 148 G CA 0.079 45.299 45.100 0.200 0.000 0.643 148 G HN 0.334 nan 8.290 nan 0.000 0.522 149 L N 0.694 122.108 121.223 0.319 0.000 2.473 149 L HA 0.305 4.640 4.340 -0.008 0.000 0.268 149 L C 0.974 177.898 176.870 0.090 0.000 1.215 149 L CA -0.450 54.448 54.840 0.097 0.000 0.823 149 L CB 0.277 42.276 42.059 -0.101 0.000 1.099 149 L HN 0.189 nan 8.230 nan 0.000 0.483 150 D N 1.310 121.722 120.400 0.021 0.000 2.586 150 D HA 0.277 4.912 4.640 -0.008 0.000 0.234 150 D C -0.510 175.792 176.300 0.002 0.000 1.132 150 D CA 0.616 54.612 54.000 -0.006 0.000 0.860 150 D CB 0.597 41.385 40.800 -0.020 0.000 1.159 150 D HN 0.596 nan 8.370 nan 0.000 0.490 151 A N 4.404 127.204 122.820 -0.034 0.000 2.549 151 A HA 0.576 4.892 4.320 -0.008 0.000 0.297 151 A C -1.719 175.808 177.584 -0.095 0.000 1.061 151 A CA -1.093 50.922 52.037 -0.036 0.000 0.690 151 A CB 1.199 20.194 19.000 -0.009 0.000 1.287 151 A HN 0.445 nan 8.150 nan 0.000 0.402 152 P HA -0.231 nan 4.420 nan 0.000 0.215 152 P C 1.136 178.350 177.300 -0.144 0.000 0.896 152 P CA 2.438 65.501 63.100 -0.062 0.000 1.030 152 P CB 0.061 31.753 31.700 -0.014 0.000 0.731 153 G N -0.614 108.120 108.800 -0.109 0.000 4.084 153 G HA2 0.174 4.129 3.960 -0.008 0.000 0.293 153 G HA3 0.174 4.129 3.960 -0.008 0.000 0.293 153 G C -0.178 174.556 174.900 -0.276 0.000 1.303 153 G CA -0.098 44.956 45.100 -0.078 0.000 1.289 153 G HN 0.356 nan 8.290 nan 0.000 0.609 154 Q N 0.497 119.899 119.800 -0.663 0.000 2.333 154 Q HA 0.670 5.005 4.340 -0.008 0.000 0.265 154 Q C -1.527 174.014 176.000 -0.765 0.000 0.989 154 Q CA -0.631 54.894 55.803 -0.463 0.000 0.842 154 Q CB 0.978 29.581 28.738 -0.224 0.000 1.262 154 Q HN 0.133 nan 8.270 nan 0.000 0.451 155 F N 0.768 120.666 119.950 -0.087 0.000 2.645 155 F HA 0.629 5.148 4.527 -0.013 0.000 0.310 155 F C -0.032 175.674 175.800 -0.157 0.000 1.102 155 F CA -0.610 57.336 58.000 -0.090 0.000 0.952 155 F CB 2.400 41.350 39.000 -0.083 0.000 1.326 155 F HN 0.536 nan 8.300 nan 0.000 0.456 156 S N -0.534 115.226 115.700 0.100 0.000 2.880 156 S HA 0.869 5.334 4.470 -0.008 0.000 0.308 156 S C -1.181 173.435 174.600 0.027 0.000 1.195 156 S CA -0.074 58.128 58.200 0.002 0.000 0.866 156 S CB 1.635 64.831 63.200 -0.007 0.000 1.254 156 S HN 0.916 nan 8.310 nan 0.000 0.571 157 T N -1.385 113.170 114.554 0.001 0.000 2.864 157 T HA 0.753 5.098 4.350 -0.008 0.000 0.299 157 T C 1.012 175.712 174.700 -0.000 0.000 1.166 157 T CA -0.086 62.009 62.100 -0.008 0.000 1.007 157 T CB 0.990 69.834 68.868 -0.040 0.000 1.219 157 T HN 0.895 nan 8.240 nan 0.000 0.506 158 A N 0.847 123.661 122.820 -0.009 0.000 1.908 158 A HA -0.072 4.244 4.320 -0.008 0.000 0.218 158 A C 2.367 179.946 177.584 -0.008 0.000 1.181 158 A CA 1.890 53.929 52.037 0.003 0.000 0.627 158 A CB -0.895 18.102 19.000 -0.005 0.000 0.818 158 A HN 0.912 nan 8.150 nan 0.000 0.445 159 R N -0.591 119.887 120.500 -0.037 0.000 2.081 159 R HA -0.175 4.160 4.340 -0.008 0.000 0.235 159 R C 1.392 177.678 176.300 -0.024 0.000 1.131 159 R CA 1.898 57.974 56.100 -0.039 0.000 0.960 159 R CB -0.323 29.942 30.300 -0.059 0.000 0.856 159 R HN 0.454 nan 8.270 nan 0.000 0.436 160 D N -0.119 120.268 120.400 -0.022 0.000 2.144 160 D HA -0.133 4.503 4.640 -0.008 0.000 0.200 160 D C 1.925 178.231 176.300 0.010 0.000 0.978 160 D CA 0.956 54.946 54.000 -0.017 0.000 0.833 160 D CB -0.034 40.747 40.800 -0.031 0.000 0.961 160 D HN 0.163 nan 8.370 nan 0.000 0.470 161 M N 0.503 120.120 119.600 0.029 0.000 2.108 161 M HA -0.094 4.382 4.480 -0.008 0.000 0.261 161 M C 2.248 178.572 176.300 0.041 0.000 1.066 161 M CA 0.953 56.287 55.300 0.055 0.000 1.107 161 M CB -1.031 31.612 32.600 0.072 0.000 1.356 161 M HN -0.009 nan 8.290 nan 0.000 0.406 162 A N -0.014 122.823 122.820 0.028 0.000 1.930 162 A HA -0.114 4.202 4.320 -0.008 0.000 0.217 162 A C 2.090 179.681 177.584 0.011 0.000 1.175 162 A CA 1.109 53.160 52.037 0.024 0.000 0.627 162 A CB -0.578 18.434 19.000 0.019 0.000 0.815 162 A HN 0.342 nan 8.150 nan 0.000 0.443 163 L N -0.885 120.335 121.223 -0.005 0.000 2.046 163 L HA -0.118 4.218 4.340 -0.008 0.000 0.208 163 L C 2.415 179.271 176.870 -0.024 0.000 1.077 163 L CA 1.628 56.456 54.840 -0.020 0.000 0.747 163 L CB -1.331 40.709 42.059 -0.032 0.000 0.896 163 L HN 0.473 nan 8.230 nan 0.000 0.432 164 L N -0.219 120.993 121.223 -0.019 0.000 2.056 164 L HA -0.018 4.317 4.340 -0.008 0.000 0.207 164 L C 2.313 179.172 176.870 -0.019 0.000 1.078 164 L CA 2.029 56.841 54.840 -0.047 0.000 0.749 164 L CB -1.263 40.797 42.059 0.002 0.000 0.901 164 L HN 0.230 nan 8.230 nan 0.000 0.433 165 G N -0.582 108.222 108.800 0.007 0.000 2.418 165 G HA2 -0.351 3.605 3.960 -0.008 0.000 0.217 165 G HA3 -0.351 3.605 3.960 -0.008 0.000 0.217 165 G C 1.694 176.582 174.900 -0.019 0.000 1.158 165 G CA 0.874 45.969 45.100 -0.009 0.000 0.771 165 G HN 0.493 nan 8.290 nan 0.000 0.545 166 K N 0.672 121.096 120.400 0.041 0.000 2.057 166 K HA 0.063 4.379 4.320 -0.008 0.000 0.207 166 K C 2.707 179.410 176.600 0.173 0.000 1.049 166 K CA 1.418 57.793 56.287 0.146 0.000 0.931 166 K CB -0.365 32.190 32.500 0.092 0.000 0.714 166 K HN 0.190 nan 8.250 nan 0.000 0.440 167 A N 1.349 124.226 122.820 0.095 0.000 1.902 167 A HA -0.155 4.160 4.320 -0.008 0.000 0.217 167 A C 2.095 179.860 177.584 0.301 0.000 1.181 167 A CA 1.503 53.644 52.037 0.173 0.000 0.623 167 A CB -0.716 18.302 19.000 0.030 0.000 0.818 167 A HN 0.412 nan 8.150 nan 0.000 0.443 168 L N 0.048 121.406 121.223 0.224 0.000 1.989 168 L HA -0.173 4.162 4.340 -0.008 0.000 0.211 168 L C 2.302 179.193 176.870 0.035 0.000 1.071 168 L CA 2.032 56.995 54.840 0.205 0.000 0.749 168 L CB -0.411 41.714 42.059 0.110 0.000 0.890 168 L HN 0.455 nan 8.230 nan 0.000 0.431 169 I N -1.260 119.216 120.570 -0.156 0.000 2.208 169 I HA -0.348 3.817 4.170 -0.008 0.000 0.245 169 I C 2.511 178.626 176.117 -0.004 0.000 1.097 169 I CA 1.793 62.895 61.300 -0.329 0.000 1.363 169 I CB -0.473 37.124 38.000 -0.671 0.000 1.051 169 I HN 0.457 nan 8.210 nan 0.000 0.413 170 H N 0.560 119.707 119.070 0.128 0.000 2.372 170 H HA -0.102 4.440 4.556 -0.024 0.000 0.301 170 H C 1.633 177.017 175.328 0.094 0.000 1.065 170 H CA 1.724 57.884 56.048 0.187 0.000 1.364 170 H CB 0.169 30.042 29.762 0.185 0.000 1.406 170 H HN 0.183 nan 8.280 nan 0.000 0.521 171 D N -0.193 120.271 120.400 0.108 0.000 2.277 171 D HA -0.001 4.634 4.640 -0.008 0.000 0.209 171 D C 0.402 176.636 176.300 -0.110 0.000 0.970 171 D CA 1.131 55.146 54.000 0.025 0.000 0.874 171 D CB 0.637 41.530 40.800 0.154 0.000 0.982 171 D HN 0.343 nan 8.370 nan 0.000 0.504 172 V N -1.222 118.629 119.914 -0.105 0.000 2.468 172 V HA 0.306 4.421 4.120 -0.008 0.000 0.256 172 V C -2.190 173.893 176.094 -0.019 0.000 0.998 172 V CA -1.208 61.020 62.300 -0.120 0.000 1.114 172 V CB 1.409 33.092 31.823 -0.234 0.000 1.378 172 V HN -0.191 nan 8.190 nan 0.000 0.573 173 P HA -0.118 nan 4.420 nan 0.000 0.220 173 P C 1.229 178.569 177.300 0.067 0.000 1.148 173 P CA 1.348 64.480 63.100 0.054 0.000 0.803 173 P CB 0.524 32.229 31.700 0.009 0.000 0.782 174 E N 0.013 120.224 120.200 0.019 0.000 2.204 174 E HA -0.192 4.153 4.350 -0.008 0.000 0.194 174 E C 1.989 178.604 176.600 0.025 0.000 0.989 174 E CA 0.864 57.270 56.400 0.010 0.000 0.824 174 E CB -0.156 29.538 29.700 -0.010 0.000 0.756 174 E HN 0.281 nan 8.360 nan 0.000 0.477 175 E N 0.215 120.445 120.200 0.050 0.000 2.122 175 E HA -0.146 4.199 4.350 -0.008 0.000 0.190 175 E C 1.680 178.413 176.600 0.223 0.000 0.977 175 E CA 0.490 56.946 56.400 0.094 0.000 0.820 175 E CB -0.217 29.524 29.700 0.068 0.000 0.770 175 E HN 0.244 nan 8.360 nan 0.000 0.462 176 Y N 0.655 120.990 120.300 0.057 0.000 2.207 176 Y HA -0.153 4.413 4.550 0.028 0.000 0.287 176 Y C 2.005 177.969 175.900 0.106 0.000 1.156 176 Y CA 1.632 59.742 58.100 0.017 0.000 1.182 176 Y CB -0.725 37.688 38.460 -0.078 0.000 0.979 176 Y HN 0.125 nan 8.280 nan 0.000 0.521 177 A N 0.158 122.936 122.820 -0.070 0.000 1.978 177 A HA -0.197 4.119 4.320 -0.008 0.000 0.220 177 A C 2.231 179.722 177.584 -0.156 0.000 1.170 177 A CA 2.009 53.961 52.037 -0.142 0.000 0.636 177 A CB -1.172 17.799 19.000 -0.049 0.000 0.810 177 A HN 0.577 nan 8.150 nan 0.000 0.448 178 I N -1.486 119.030 120.570 -0.089 0.000 2.676 178 I HA -0.158 4.007 4.170 -0.008 0.000 0.259 178 I C 1.865 177.864 176.117 -0.198 0.000 1.194 178 I CA 0.837 62.051 61.300 -0.143 0.000 1.473 178 I CB -0.333 37.568 38.000 -0.165 0.000 1.096 178 I HN 0.337 nan 8.210 nan 0.000 0.443 179 H N 1.013 119.915 119.070 -0.280 0.000 2.547 179 H HA -0.080 4.494 4.556 0.030 0.000 0.272 179 H C 1.928 177.123 175.328 -0.221 0.000 0.989 179 H CA 0.832 56.742 56.048 -0.230 0.000 1.214 179 H CB -0.045 29.562 29.762 -0.258 0.000 1.389 179 H HN 0.371 nan 8.280 nan 0.000 0.577 180 K N 0.793 121.087 120.400 -0.176 0.000 2.426 180 K HA 0.028 4.343 4.320 -0.008 0.000 0.193 180 K C -0.115 176.384 176.600 -0.169 0.000 1.028 180 K CA 0.183 56.369 56.287 -0.168 0.000 1.047 180 K CB 0.354 32.742 32.500 -0.186 0.000 0.821 180 K HN 0.189 nan 8.250 nan 0.000 0.513 181 E N 1.846 121.960 120.200 -0.143 0.000 2.366 181 E HA 0.026 4.371 4.350 -0.008 0.000 0.266 181 E C -0.029 176.513 176.600 -0.097 0.000 1.015 181 E CA -0.103 56.229 56.400 -0.114 0.000 0.906 181 E CB 1.114 30.762 29.700 -0.086 0.000 0.979 181 E HN 0.205 nan 8.360 nan 0.000 0.443 182 K N 2.339 122.659 120.400 -0.134 0.000 2.296 182 K HA -0.061 4.254 4.320 -0.008 0.000 0.200 182 K C 0.283 176.949 176.600 0.111 0.000 1.048 182 K CA 0.793 56.997 56.287 -0.138 0.000 0.966 182 K CB 0.174 32.465 32.500 -0.348 0.000 0.754 182 K HN 0.574 nan 8.250 nan 0.000 0.466 183 E N -0.180 120.088 120.200 0.113 0.000 2.407 183 E HA 0.374 4.719 4.350 -0.008 0.000 0.279 183 E C -1.044 175.723 176.600 0.278 0.000 1.012 183 E CA -1.100 55.415 56.400 0.191 0.000 0.800 183 E CB 1.258 31.047 29.700 0.147 0.000 1.276 183 E HN -0.069 nan 8.360 nan 0.000 0.452 184 F N -1.276 118.699 119.950 0.042 0.000 2.643 184 F HA 0.729 5.254 4.527 -0.003 0.000 0.314 184 F C -1.313 174.533 175.800 0.078 0.000 1.096 184 F CA -0.994 57.032 58.000 0.044 0.000 0.953 184 F CB 1.782 40.798 39.000 0.027 0.000 1.345 184 F HN 0.301 nan 8.300 nan 0.000 0.468 185 T N 2.943 117.437 114.554 -0.100 0.000 2.771 185 T HA 0.588 4.933 4.350 -0.008 0.000 0.281 185 T C -1.816 172.777 174.700 -0.178 0.000 0.982 185 T CA -0.118 61.867 62.100 -0.192 0.000 0.978 185 T CB 0.636 69.480 68.868 -0.040 0.000 0.930 185 T HN 0.565 nan 8.240 nan 0.000 0.447 186 F N 3.403 123.101 119.950 -0.420 0.000 2.569 186 F HA 0.439 4.963 4.527 -0.004 0.000 0.312 186 F C 0.659 176.386 175.800 -0.120 0.000 1.109 186 F CA -1.093 56.772 58.000 -0.225 0.000 0.919 186 F CB 1.238 40.089 39.000 -0.249 0.000 1.211 186 F HN 0.773 nan 8.300 nan 0.000 0.446 187 N N 4.722 122.941 118.700 -0.803 0.000 2.727 187 N HA -0.283 4.453 4.740 -0.008 0.000 0.249 187 N C -0.067 175.300 175.510 -0.238 0.000 1.048 187 N CA 1.155 53.898 53.050 -0.511 0.000 0.714 187 N CB -0.488 37.739 38.487 -0.434 0.000 0.959 187 N HN 0.886 nan 8.380 nan 0.000 0.544 188 K N -1.993 118.295 120.400 -0.186 0.000 3.349 188 K HA -0.192 4.123 4.320 -0.008 0.000 0.310 188 K C -0.410 176.138 176.600 -0.086 0.000 1.267 188 K CA 1.491 57.710 56.287 -0.113 0.000 0.920 188 K CB -1.253 31.187 32.500 -0.099 0.000 1.240 188 K HN 0.476 nan 8.250 nan 0.000 0.453 189 I N 1.753 122.268 120.570 -0.091 0.000 2.406 189 I HA 0.230 4.395 4.170 -0.008 0.000 0.290 189 I C 0.485 176.549 176.117 -0.089 0.000 0.999 189 I CA -1.067 60.194 61.300 -0.065 0.000 1.124 189 I CB 1.576 39.554 38.000 -0.036 0.000 1.289 189 I HN 0.063 nan 8.210 nan 0.000 0.441 190 R N 5.112 125.575 120.500 -0.063 0.000 2.438 190 R HA 0.395 4.730 4.340 -0.008 0.000 0.287 190 R C -0.945 175.319 176.300 -0.060 0.000 1.077 190 R CA -0.611 55.446 56.100 -0.072 0.000 1.034 190 R CB 0.848 31.138 30.300 -0.018 0.000 0.993 190 R HN 0.433 nan 8.270 nan 0.000 0.459 191 Q N 3.727 123.462 119.800 -0.107 0.000 2.341 191 Q HA 0.379 4.714 4.340 -0.008 0.000 0.268 191 Q C -2.353 173.709 176.000 0.102 0.000 1.013 191 Q CA -2.245 53.540 55.803 -0.030 0.000 0.798 191 Q CB 2.084 30.737 28.738 -0.142 0.000 1.253 191 Q HN 0.595 nan 8.270 nan 0.000 0.457 192 P HA 0.099 nan 4.420 nan 0.000 0.282 192 P C -0.273 177.160 177.300 0.222 0.000 1.249 192 P CA -0.531 62.683 63.100 0.190 0.000 0.806 192 P CB 1.028 32.812 31.700 0.141 0.000 0.984 193 N N 2.286 121.158 118.700 0.287 0.000 2.470 193 N HA 0.054 4.789 4.740 -0.008 0.000 0.268 193 N C 0.863 176.561 175.510 0.312 0.000 1.136 193 N CA -0.018 53.186 53.050 0.256 0.000 0.961 193 N CB 0.359 38.963 38.487 0.195 0.000 1.067 193 N HN 0.276 nan 8.380 nan 0.000 0.468 194 R N 1.775 122.418 120.500 0.238 0.000 2.313 194 R HA 0.017 4.352 4.340 -0.008 0.000 0.199 194 R C -0.013 176.477 176.300 0.315 0.000 0.958 194 R CA -0.079 56.160 56.100 0.232 0.000 1.047 194 R CB -0.062 30.360 30.300 0.203 0.000 0.955 194 R HN 0.437 nan 8.270 nan 0.000 0.481 195 N N 1.993 120.895 118.700 0.336 0.000 2.498 195 N HA -0.036 4.699 4.740 -0.008 0.000 0.277 195 N C 0.730 176.417 175.510 0.295 0.000 1.208 195 N CA 0.097 53.368 53.050 0.369 0.000 1.029 195 N CB 0.401 39.068 38.487 0.300 0.000 1.403 195 N HN -0.053 nan 8.380 nan 0.000 0.500 196 R N 2.466 122.899 120.500 -0.112 0.000 2.159 196 R HA -0.068 4.267 4.340 -0.008 0.000 0.237 196 R C 1.326 177.607 176.300 -0.033 0.000 1.131 196 R CA 0.643 56.571 56.100 -0.286 0.000 0.982 196 R CB -0.445 29.249 30.300 -1.010 0.000 0.868 196 R HN 0.596 nan 8.270 nan 0.000 0.453 197 L N 0.611 121.818 121.223 -0.026 0.000 2.456 197 L HA -0.061 4.274 4.340 -0.008 0.000 0.224 197 L C 2.062 179.003 176.870 0.118 0.000 1.148 197 L CA 0.449 55.354 54.840 0.109 0.000 0.825 197 L CB -0.385 41.803 42.059 0.215 0.000 0.937 197 L HN 0.116 nan 8.230 nan 0.000 0.450 198 L N -1.396 119.888 121.223 0.102 0.000 2.265 198 L HA -0.192 4.143 4.340 -0.008 0.000 0.215 198 L C 1.923 178.663 176.870 -0.217 0.000 1.117 198 L CA 1.092 55.854 54.840 -0.129 0.000 0.782 198 L CB -0.371 41.458 42.059 -0.382 0.000 0.914 198 L HN 0.485 nan 8.230 nan 0.000 0.441 199 W N -0.468 120.804 121.300 -0.047 0.000 3.278 199 W HA 0.180 4.835 4.660 -0.008 0.000 0.308 199 W C 0.850 177.346 176.519 -0.039 0.000 1.253 199 W CA -0.407 56.910 57.345 -0.046 0.000 1.759 199 W CB -0.023 29.397 29.460 -0.067 0.000 1.093 199 W HN -0.014 nan 8.180 nan 0.000 0.648 200 S N 0.565 116.351 115.700 0.142 0.000 2.549 200 S HA 0.026 4.491 4.470 -0.008 0.000 0.283 200 S C 1.256 175.896 174.600 0.067 0.000 1.320 200 S CA 0.110 58.367 58.200 0.096 0.000 1.058 200 S CB 1.744 64.998 63.200 0.088 0.000 0.882 200 S HN -0.033 nan 8.310 nan 0.000 0.498 201 S N 2.198 117.933 115.700 0.058 0.000 2.503 201 S HA 0.040 4.505 4.470 -0.008 0.000 0.217 201 S C 1.391 176.008 174.600 0.027 0.000 0.999 201 S CA 0.015 58.236 58.200 0.036 0.000 0.914 201 S CB -0.045 63.175 63.200 0.033 0.000 0.782 201 S HN 0.590 nan 8.310 nan 0.000 0.520 202 N N 0.909 119.633 118.700 0.041 0.000 2.422 202 N HA 0.254 4.989 4.740 -0.008 0.000 0.181 202 N C -0.071 175.468 175.510 0.047 0.000 1.080 202 N CA 0.407 53.483 53.050 0.043 0.000 0.893 202 N CB 0.392 38.915 38.487 0.060 0.000 0.973 202 N HN 0.339 nan 8.380 nan 0.000 0.456 203 L N 0.023 121.277 121.223 0.051 0.000 2.415 203 L HA 0.365 4.700 4.340 -0.008 0.000 0.256 203 L C -0.773 176.110 176.870 0.021 0.000 1.010 203 L CA -0.893 53.980 54.840 0.054 0.000 0.826 203 L CB 2.010 44.150 42.059 0.135 0.000 1.405 203 L HN -0.181 nan 8.230 nan 0.000 0.410 204 N N 1.671 120.367 118.700 -0.007 0.000 2.949 204 N HA 0.256 4.992 4.740 -0.008 0.000 0.243 204 N C -0.900 174.631 175.510 0.036 0.000 1.113 204 N CA -0.085 52.955 53.050 -0.016 0.000 0.980 204 N CB 1.410 39.859 38.487 -0.063 0.000 1.256 204 N HN 0.120 nan 8.380 nan 0.000 0.508 205 V N 1.779 121.723 119.914 0.051 0.000 2.439 205 V HA 0.165 4.281 4.120 -0.008 0.000 0.282 205 V C 0.639 176.761 176.094 0.047 0.000 1.039 205 V CA -0.423 61.931 62.300 0.090 0.000 0.913 205 V CB 1.656 33.545 31.823 0.110 0.000 0.983 205 V HN 0.523 nan 8.190 nan 0.000 0.460 206 D N 1.758 122.206 120.400 0.079 0.000 2.540 206 D HA 0.416 5.051 4.640 -0.008 0.000 0.229 206 D C 0.231 176.528 176.300 -0.006 0.000 1.250 206 D CA 0.276 54.284 54.000 0.012 0.000 0.817 206 D CB 0.962 41.757 40.800 -0.007 0.000 1.060 206 D HN 0.715 nan 8.370 nan 0.000 0.508 207 G N -0.954 107.922 108.800 0.126 0.000 2.441 207 G HA2 0.425 4.381 3.960 -0.008 0.000 0.294 207 G HA3 0.425 4.381 3.960 -0.008 0.000 0.294 207 G C -0.556 174.476 174.900 0.219 0.000 1.393 207 G CA -0.225 44.986 45.100 0.186 0.000 0.796 207 G HN 0.061 nan 8.290 nan 0.000 0.494 208 M N -1.550 118.188 119.600 0.231 0.000 2.102 208 M HA 0.512 4.988 4.480 -0.008 0.000 0.199 208 M C -0.103 176.371 176.300 0.290 0.000 1.558 208 M CA 0.396 55.852 55.300 0.260 0.000 0.982 208 M CB 0.921 33.647 32.600 0.210 0.000 1.521 208 M HN 0.406 nan 8.290 nan 0.000 0.571 209 K N 0.696 121.233 120.400 0.228 0.000 2.557 209 K HA 0.344 4.660 4.320 -0.008 0.000 0.257 209 K C -1.052 175.653 176.600 0.175 0.000 0.933 209 K CA -0.413 56.002 56.287 0.212 0.000 0.820 209 K CB 1.787 34.409 32.500 0.203 0.000 1.330 209 K HN 0.258 nan 8.250 nan 0.000 0.432 210 T N -0.421 114.237 114.554 0.174 0.000 2.944 210 T HA 0.908 5.253 4.350 -0.008 0.000 0.284 210 T C 0.151 174.921 174.700 0.117 0.000 1.010 210 T CA -0.496 61.688 62.100 0.141 0.000 1.025 210 T CB 1.671 70.651 68.868 0.187 0.000 1.079 210 T HN 0.676 nan 8.240 nan 0.000 0.516 211 G N -0.114 108.743 108.800 0.095 0.000 2.703 211 G HA2 0.559 4.515 3.960 -0.008 0.000 0.294 211 G HA3 0.559 4.515 3.960 -0.008 0.000 0.294 211 G C -1.373 173.562 174.900 0.057 0.000 1.451 211 G CA -0.824 44.323 45.100 0.078 0.000 0.869 211 G HN 0.836 nan 8.290 nan 0.000 0.516 212 T N 1.124 115.686 114.554 0.013 0.000 2.949 212 T HA 0.589 4.934 4.350 -0.008 0.000 0.300 212 T C 0.694 175.336 174.700 -0.096 0.000 0.988 212 T CA -0.130 61.912 62.100 -0.096 0.000 0.993 212 T CB 1.305 70.101 68.868 -0.120 0.000 0.984 212 T HN 1.061 nan 8.240 nan 0.000 0.442 213 T N 0.899 115.383 114.554 -0.116 0.000 2.652 213 T HA 0.494 4.839 4.350 -0.008 0.000 0.319 213 T C 1.940 176.582 174.700 -0.097 0.000 1.029 213 T CA 0.013 62.065 62.100 -0.081 0.000 0.990 213 T CB 0.298 69.129 68.868 -0.060 0.000 1.098 213 T HN 0.551 nan 8.240 nan 0.000 0.520 214 A N 0.432 123.214 122.820 -0.064 0.000 1.851 214 A HA 0.313 4.628 4.320 -0.008 0.000 0.216 214 A C 1.853 179.397 177.584 -0.067 0.000 1.195 214 A CA 1.375 53.379 52.037 -0.056 0.000 0.622 214 A CB -1.201 17.777 19.000 -0.036 0.000 0.831 214 A HN 1.694 nan 8.150 nan 0.000 0.444 215 G N -3.143 105.620 108.800 -0.062 0.000 5.338 215 G HA2 0.504 4.460 3.960 -0.008 0.000 0.198 215 G HA3 0.504 4.460 3.960 -0.008 0.000 0.198 215 G C 0.268 175.138 174.900 -0.049 0.000 0.708 215 G CA 0.805 45.868 45.100 -0.062 0.000 0.626 215 G HN 0.798 nan 8.290 nan 0.000 0.419 216 A N -0.760 122.022 122.820 -0.062 0.000 2.013 216 A HA 0.801 5.116 4.320 -0.008 0.000 0.204 216 A C 1.444 178.994 177.584 -0.056 0.000 1.262 216 A CA 1.361 53.377 52.037 -0.035 0.000 0.800 216 A CB 0.248 19.242 19.000 -0.009 0.000 0.909 216 A HN 1.936 nan 8.150 nan 0.000 0.472 217 G N -1.818 106.894 108.800 -0.147 0.000 2.217 217 G HA2 0.186 4.142 3.960 -0.008 0.000 0.126 217 G HA3 0.186 4.142 3.960 -0.008 0.000 0.126 217 G C -1.270 173.412 174.900 -0.364 0.000 1.293 217 G CA -0.364 44.571 45.100 -0.275 0.000 1.219 217 G HN 0.364 nan 8.290 nan 0.000 0.477 218 Y N 1.461 121.752 120.300 -0.016 0.000 2.376 218 Y HA 0.721 5.265 4.550 -0.011 0.000 0.340 218 Y C 0.008 175.874 175.900 -0.058 0.000 0.965 218 Y CA -0.886 57.186 58.100 -0.046 0.000 1.078 218 Y CB 2.264 40.676 38.460 -0.079 0.000 1.193 218 Y HN 0.450 nan 8.280 nan 0.000 0.452 219 N N 2.446 121.192 118.700 0.077 0.000 2.272 219 N HA 0.684 5.420 4.740 -0.008 0.000 0.305 219 N C -1.967 173.548 175.510 0.009 0.000 1.103 219 N CA -0.700 52.376 53.050 0.044 0.000 0.791 219 N CB 2.384 40.903 38.487 0.052 0.000 1.356 219 N HN 0.530 nan 8.380 nan 0.000 0.486 220 L N 0.737 121.970 121.223 0.017 0.000 2.526 220 L HA 0.549 4.884 4.340 -0.008 0.000 0.263 220 L C -1.810 175.107 176.870 0.077 0.000 0.943 220 L CA -0.615 54.240 54.840 0.025 0.000 0.859 220 L CB 1.890 43.914 42.059 -0.059 0.000 1.313 220 L HN 0.274 nan 8.230 nan 0.000 0.406 221 V N 4.354 124.333 119.914 0.108 0.000 2.357 221 V HA 0.935 5.050 4.120 -0.008 0.000 0.284 221 V C 0.161 176.341 176.094 0.142 0.000 1.018 221 V CA 0.015 62.384 62.300 0.115 0.000 0.841 221 V CB 1.080 32.971 31.823 0.113 0.000 0.991 221 V HN 0.987 nan 8.190 nan 0.000 0.437 222 A N 3.742 126.646 122.820 0.139 0.000 2.374 222 A HA 0.924 5.240 4.320 -0.008 0.000 0.317 222 A C -0.429 177.243 177.584 0.147 0.000 1.094 222 A CA -0.591 51.544 52.037 0.165 0.000 0.765 222 A CB 2.137 21.246 19.000 0.181 0.000 1.268 222 A HN 0.714 nan 8.150 nan 0.000 0.438 223 S N -0.463 115.341 115.700 0.173 0.000 2.541 223 S HA 0.807 5.272 4.470 -0.008 0.000 0.280 223 S C -0.598 174.116 174.600 0.189 0.000 1.112 223 S CA 0.243 58.534 58.200 0.152 0.000 0.925 223 S CB 1.418 64.676 63.200 0.098 0.000 1.067 223 S HN 2.053 nan 8.310 nan 0.000 0.479 224 A N 2.190 125.144 122.820 0.223 0.000 2.527 224 A HA 0.940 5.255 4.320 -0.008 0.000 0.293 224 A C -0.357 177.442 177.584 0.359 0.000 1.117 224 A CA -0.678 51.532 52.037 0.288 0.000 0.723 224 A CB 1.550 20.787 19.000 0.394 0.000 1.313 224 A HN 1.033 nan 8.150 nan 0.000 0.411 225 T N -1.265 113.388 114.554 0.164 0.000 2.907 225 T HA 0.694 5.039 4.350 -0.008 0.000 0.292 225 T C -0.795 173.686 174.700 -0.366 0.000 1.043 225 T CA -0.639 61.487 62.100 0.043 0.000 1.003 225 T CB 1.753 70.625 68.868 0.007 0.000 1.084 225 T HN 1.083 nan 8.240 nan 0.000 0.483 226 Q N 0.980 120.474 119.800 -0.511 0.000 2.263 226 Q HA 0.559 4.895 4.340 -0.008 0.000 0.262 226 Q C 0.539 176.389 176.000 -0.250 0.000 0.984 226 Q CA 0.552 55.999 55.803 -0.593 0.000 0.813 226 Q CB 1.216 29.226 28.738 -1.214 0.000 1.299 226 Q HN 1.525 nan 8.270 nan 0.000 0.428 227 G N 4.090 112.796 108.800 -0.157 0.000 2.651 227 G HA2 -0.418 3.538 3.960 -0.008 0.000 0.315 227 G HA3 -0.418 3.538 3.960 -0.008 0.000 0.315 227 G C 0.255 175.140 174.900 -0.027 0.000 1.258 227 G CA 0.764 45.822 45.100 -0.071 0.000 1.002 227 G HN 0.995 nan 8.290 nan 0.000 0.551 228 D N 0.149 120.554 120.400 0.009 0.000 2.328 228 D HA 0.345 4.981 4.640 -0.008 0.000 0.226 228 D C 1.096 177.445 176.300 0.082 0.000 1.066 228 D CA 0.437 54.460 54.000 0.038 0.000 0.861 228 D CB 0.085 40.907 40.800 0.036 0.000 0.912 228 D HN 0.527 nan 8.370 nan 0.000 0.521 229 M N 0.677 120.345 119.600 0.113 0.000 2.423 229 M HA 0.362 4.838 4.480 -0.008 0.000 0.335 229 M C -0.693 175.786 176.300 0.299 0.000 1.177 229 M CA -0.781 54.651 55.300 0.221 0.000 1.038 229 M CB 1.893 34.687 32.600 0.324 0.000 1.641 229 M HN -0.159 nan 8.290 nan 0.000 0.455 230 R N 4.481 125.151 120.500 0.284 0.000 2.532 230 R HA 0.658 4.994 4.340 -0.008 0.000 0.297 230 R C -2.139 174.277 176.300 0.193 0.000 0.984 230 R CA -0.532 55.721 56.100 0.255 0.000 0.884 230 R CB 1.254 31.592 30.300 0.062 0.000 1.182 230 R HN 0.767 nan 8.270 nan 0.000 0.442 231 L N 5.067 126.360 121.223 0.116 0.000 2.330 231 L HA 0.612 4.948 4.340 -0.008 0.000 0.271 231 L C -0.354 176.534 176.870 0.029 0.000 1.013 231 L CA -1.083 53.732 54.840 -0.041 0.000 0.816 231 L CB 2.111 43.958 42.059 -0.353 0.000 1.287 231 L HN 0.548 nan 8.230 nan 0.000 0.435 232 I N 1.026 121.614 120.570 0.030 0.000 2.465 232 I HA 0.368 4.534 4.170 -0.008 0.000 0.291 232 I C -0.284 175.864 176.117 0.052 0.000 1.014 232 I CA -0.175 61.155 61.300 0.051 0.000 1.093 232 I CB 2.168 40.201 38.000 0.055 0.000 1.267 232 I HN 0.637 nan 8.210 nan 0.000 0.431 233 S N 5.242 120.987 115.700 0.076 0.000 2.566 233 S HA 0.876 5.341 4.470 -0.008 0.000 0.298 233 S C -0.847 173.813 174.600 0.101 0.000 1.083 233 S CA -0.713 57.543 58.200 0.093 0.000 0.978 233 S CB 2.307 65.568 63.200 0.101 0.000 1.073 233 S HN 0.288 nan 8.310 nan 0.000 0.491 234 V N 1.491 121.474 119.914 0.116 0.000 2.686 234 V HA 0.649 4.764 4.120 -0.008 0.000 0.306 234 V C -1.040 175.142 176.094 0.147 0.000 1.065 234 V CA -0.626 61.741 62.300 0.111 0.000 0.894 234 V CB 1.855 33.732 31.823 0.090 0.000 1.004 234 V HN 0.860 nan 8.190 nan 0.000 0.424 235 V N 5.744 125.729 119.914 0.119 0.000 2.525 235 V HA 0.564 4.679 4.120 -0.008 0.000 0.299 235 V C -1.136 175.019 176.094 0.102 0.000 1.034 235 V CA -0.479 61.900 62.300 0.132 0.000 0.863 235 V CB 1.878 33.742 31.823 0.068 0.000 0.999 235 V HN 0.568 nan 8.190 nan 0.000 0.423 236 L N 3.382 124.680 121.223 0.125 0.000 2.362 236 L HA 0.826 5.161 4.340 -0.008 0.000 0.275 236 L C 0.833 177.758 176.870 0.093 0.000 0.998 236 L CA 0.494 55.390 54.840 0.093 0.000 0.820 236 L CB 1.299 43.408 42.059 0.084 0.000 1.270 236 L HN 0.911 nan 8.230 nan 0.000 0.415 237 G N 2.718 111.559 108.800 0.068 0.000 2.246 237 G HA2 -0.100 3.856 3.960 -0.008 0.000 0.273 237 G HA3 -0.100 3.856 3.960 -0.008 0.000 0.273 237 G C 0.437 175.386 174.900 0.082 0.000 1.055 237 G CA 0.310 45.446 45.100 0.059 0.000 0.851 237 G HN 1.024 nan 8.290 nan 0.000 0.500 238 A N -0.951 121.930 122.820 0.102 0.000 2.406 238 A HA 0.708 5.024 4.320 -0.008 0.000 0.243 238 A C 1.401 179.102 177.584 0.194 0.000 1.082 238 A CA 1.059 53.162 52.037 0.109 0.000 0.786 238 A CB 0.462 19.502 19.000 0.066 0.000 1.029 238 A HN 0.324 nan 8.150 nan 0.000 0.495 239 K N -0.369 120.122 120.400 0.152 0.000 2.116 239 K HA 0.034 4.349 4.320 -0.008 0.000 0.203 239 K C 1.040 177.817 176.600 0.296 0.000 1.052 239 K CA 1.683 58.078 56.287 0.180 0.000 0.952 239 K CB -0.031 32.524 32.500 0.093 0.000 0.729 239 K HN 0.943 nan 8.250 nan 0.000 0.446 240 T N -3.310 111.316 114.554 0.119 0.000 2.907 240 T HA 0.256 4.601 4.350 -0.008 0.000 0.290 240 T C 0.641 174.978 174.700 -0.605 0.000 1.066 240 T CA -0.815 61.175 62.100 -0.184 0.000 1.012 240 T CB 1.608 70.414 68.868 -0.104 0.000 1.184 240 T HN -0.083 nan 8.240 nan 0.000 0.522 241 D N 0.033 119.871 120.400 -0.937 0.000 2.084 241 D HA -0.110 4.525 4.640 -0.008 0.000 0.194 241 D C 2.137 178.333 176.300 -0.174 0.000 0.990 241 D CA 1.248 54.866 54.000 -0.637 0.000 0.826 241 D CB -0.039 40.535 40.800 -0.377 0.000 0.971 241 D HN 0.557 nan 8.370 nan 0.000 0.453 242 R N 0.032 120.485 120.500 -0.079 0.000 2.094 242 R HA -0.162 4.173 4.340 -0.008 0.000 0.239 242 R C 2.538 178.858 176.300 0.033 0.000 1.137 242 R CA 1.547 57.669 56.100 0.038 0.000 0.943 242 R CB -0.565 29.736 30.300 0.002 0.000 0.850 242 R HN 0.318 nan 8.270 nan 0.000 0.433 243 I N 0.324 120.874 120.570 -0.033 0.000 2.286 243 I HA -0.300 3.865 4.170 -0.008 0.000 0.248 243 I C 2.870 178.957 176.117 -0.050 0.000 1.115 243 I CA 1.050 62.331 61.300 -0.030 0.000 1.392 243 I CB -0.408 37.573 38.000 -0.032 0.000 1.065 243 I HN 0.260 nan 8.210 nan 0.000 0.418 244 R N 1.010 121.438 120.500 -0.120 0.000 2.096 244 R HA -0.221 4.114 4.340 -0.008 0.000 0.240 244 R C 2.307 178.468 176.300 -0.231 0.000 1.139 244 R CA 2.113 58.087 56.100 -0.211 0.000 0.952 244 R CB -0.369 29.707 30.300 -0.372 0.000 0.854 244 R HN 0.221 nan 8.270 nan 0.000 0.436 245 F N 0.499 120.456 119.950 0.012 0.000 2.187 245 F HA 0.017 4.538 4.527 -0.010 0.000 0.295 245 F C 2.148 177.964 175.800 0.027 0.000 1.091 245 F CA 1.229 59.249 58.000 0.033 0.000 1.308 245 F CB -0.613 38.404 39.000 0.029 0.000 1.030 245 F HN 0.168 nan 8.300 nan 0.000 0.487 246 N N -0.191 118.611 118.700 0.171 0.000 2.142 246 N HA -0.148 4.588 4.740 -0.008 0.000 0.186 246 N C 1.638 177.177 175.510 0.049 0.000 1.023 246 N CA 0.952 54.062 53.050 0.100 0.000 0.852 246 N CB -0.012 38.513 38.487 0.063 0.000 0.998 246 N HN 0.145 nan 8.380 nan 0.000 0.424 247 E N 0.624 120.825 120.200 0.002 0.000 2.152 247 E HA -0.019 4.327 4.350 -0.008 0.000 0.192 247 E C 1.971 178.555 176.600 -0.028 0.000 0.983 247 E CA 0.557 56.919 56.400 -0.062 0.000 0.818 247 E CB -0.167 29.458 29.700 -0.125 0.000 0.758 247 E HN 0.218 nan 8.360 nan 0.000 0.467 248 S N 1.150 116.867 115.700 0.029 0.000 2.355 248 S HA -0.139 4.326 4.470 -0.008 0.000 0.222 248 S C 1.837 176.504 174.600 0.112 0.000 1.031 248 S CA 0.829 59.074 58.200 0.075 0.000 0.993 248 S CB -0.086 63.179 63.200 0.108 0.000 0.859 248 S HN 0.275 nan 8.310 nan 0.000 0.453 249 E N 1.343 121.624 120.200 0.135 0.000 2.070 249 E HA -0.249 4.096 4.350 -0.008 0.000 0.197 249 E C 2.134 178.814 176.600 0.135 0.000 1.004 249 E CA 1.294 57.781 56.400 0.145 0.000 0.805 249 E CB -0.152 29.630 29.700 0.138 0.000 0.744 249 E HN 0.428 nan 8.360 nan 0.000 0.451 250 K N 0.477 120.933 120.400 0.093 0.000 2.063 250 K HA -0.164 4.151 4.320 -0.008 0.000 0.208 250 K C 2.364 179.044 176.600 0.133 0.000 1.048 250 K CA 1.231 57.572 56.287 0.091 0.000 0.928 250 K CB -0.182 32.325 32.500 0.012 0.000 0.713 250 K HN 0.093 nan 8.250 nan 0.000 0.442 251 L N 0.666 121.939 121.223 0.083 0.000 1.994 251 L HA -0.188 4.147 4.340 -0.008 0.000 0.208 251 L C 2.465 179.468 176.870 0.221 0.000 1.071 251 L CA 1.179 56.097 54.840 0.130 0.000 0.745 251 L CB -0.392 41.706 42.059 0.064 0.000 0.892 251 L HN 0.237 nan 8.230 nan 0.000 0.431 252 L N -1.023 120.290 121.223 0.150 0.000 2.083 252 L HA -0.212 4.123 4.340 -0.008 0.000 0.209 252 L C 2.602 179.571 176.870 0.164 0.000 1.083 252 L CA 1.407 56.294 54.840 0.077 0.000 0.752 252 L CB -0.753 41.405 42.059 0.165 0.000 0.899 252 L HN 0.270 nan 8.230 nan 0.000 0.433 253 T N -1.430 113.286 114.554 0.271 0.000 2.737 253 T HA -0.250 4.095 4.350 -0.008 0.000 0.265 253 T C 1.355 176.245 174.700 0.317 0.000 1.038 253 T CA 1.552 63.834 62.100 0.304 0.000 1.144 253 T CB -0.354 68.654 68.868 0.233 0.000 0.866 253 T HN 0.519 nan 8.240 nan 0.000 0.434 254 W N 1.763 123.171 121.300 0.180 0.000 2.335 254 W HA -0.070 4.582 4.660 -0.014 0.000 0.311 254 W C 2.386 179.127 176.519 0.369 0.000 1.213 254 W CA 1.356 58.889 57.345 0.313 0.000 1.274 254 W CB -0.782 28.855 29.460 0.295 0.000 1.148 254 W HN 0.245 nan 8.180 nan 0.000 0.498 255 G N -0.324 108.680 108.800 0.341 0.000 2.418 255 G HA2 -0.292 3.663 3.960 -0.008 0.000 0.217 255 G HA3 -0.292 3.663 3.960 -0.008 0.000 0.217 255 G C 1.270 176.179 174.900 0.015 0.000 1.158 255 G CA 1.032 46.170 45.100 0.064 0.000 0.771 255 G HN 0.278 nan 8.290 nan 0.000 0.545 256 F N 0.445 120.449 119.950 0.089 0.000 2.325 256 F HA 0.170 4.692 4.527 -0.009 0.000 0.299 256 F C 2.622 178.355 175.800 -0.112 0.000 1.090 256 F CA 0.890 58.898 58.000 0.013 0.000 1.392 256 F CB -0.219 38.786 39.000 0.009 0.000 1.053 256 F HN 0.058 nan 8.300 nan 0.000 0.521 257 R N -0.687 119.772 120.500 -0.068 0.000 2.090 257 R HA -0.097 4.239 4.340 -0.008 0.000 0.228 257 R C 1.393 177.273 176.300 -0.701 0.000 1.110 257 R CA 1.601 57.417 56.100 -0.474 0.000 0.973 257 R CB -0.241 29.575 30.300 -0.806 0.000 0.869 257 R HN 0.210 nan 8.270 nan 0.000 0.440 258 F N -1.506 118.251 119.950 -0.320 0.000 2.717 258 F HA 0.329 4.850 4.527 -0.010 0.000 0.297 258 F C -0.060 175.237 175.800 -0.837 0.000 1.113 258 F CA -0.274 57.336 58.000 -0.649 0.000 1.319 258 F CB 0.465 38.856 39.000 -1.015 0.000 1.097 258 F HN -0.180 nan 8.300 nan 0.000 0.595 259 F N 0.368 120.252 119.950 -0.110 0.000 2.598 259 F HA 0.492 5.018 4.527 -0.001 0.000 0.327 259 F C -0.008 175.772 175.800 -0.033 0.000 1.057 259 F CA -1.406 56.544 58.000 -0.083 0.000 0.957 259 F CB 1.340 40.263 39.000 -0.128 0.000 1.278 259 F HN -0.178 nan 8.300 nan 0.000 0.484 260 E N -0.652 119.651 120.200 0.172 0.000 2.393 260 E HA 0.624 4.969 4.350 -0.008 0.000 0.273 260 E C -1.725 174.925 176.600 0.084 0.000 0.918 260 E CA -1.024 55.440 56.400 0.107 0.000 0.773 260 E CB 2.168 31.900 29.700 0.053 0.000 1.275 260 E HN 0.435 nan 8.360 nan 0.000 0.451 261 T N 1.196 115.786 114.554 0.061 0.000 2.797 261 T HA 0.500 4.846 4.350 -0.008 0.000 0.279 261 T C -0.333 174.366 174.700 -0.001 0.000 0.991 261 T CA -0.596 61.517 62.100 0.021 0.000 0.979 261 T CB 1.170 70.059 68.868 0.035 0.000 0.943 261 T HN 0.490 nan 8.240 nan 0.000 0.444 262 V N 0.844 120.733 119.914 -0.042 0.000 3.001 262 V HA 0.877 4.992 4.120 -0.008 0.000 0.314 262 V C -0.385 175.657 176.094 -0.086 0.000 1.099 262 V CA -0.869 61.403 62.300 -0.047 0.000 0.989 262 V CB 2.269 34.067 31.823 -0.042 0.000 1.040 262 V HN 0.753 nan 8.190 nan 0.000 0.434 263 T N 3.485 118.003 114.554 -0.060 0.000 3.150 263 T HA 0.436 4.781 4.350 -0.008 0.000 0.383 263 T C -1.662 173.016 174.700 -0.037 0.000 1.313 263 T CA -0.501 61.559 62.100 -0.067 0.000 1.235 263 T CB 1.187 70.034 68.868 -0.034 0.000 1.088 263 T HN 0.811 nan 8.240 nan 0.000 0.556 264 P HA 0.114 nan 4.420 nan 0.000 0.219 264 P C 0.157 177.484 177.300 0.045 0.000 1.150 264 P CA 0.664 63.777 63.100 0.022 0.000 0.814 264 P CB 0.424 32.161 31.700 0.063 0.000 0.787 265 I N 0.017 120.605 120.570 0.030 0.000 2.405 265 I HA 0.254 4.419 4.170 -0.008 0.000 0.280 265 I C 0.334 176.463 176.117 0.019 0.000 1.027 265 I CA -0.981 60.335 61.300 0.025 0.000 1.161 265 I CB 1.340 39.326 38.000 -0.024 0.000 1.300 265 I HN -0.264 nan 8.210 nan 0.000 0.463 266 K N 6.580 126.997 120.400 0.027 0.000 2.219 266 K HA 0.298 4.613 4.320 -0.008 0.000 0.258 266 K C -2.376 174.237 176.600 0.021 0.000 1.008 266 K CA -1.271 55.028 56.287 0.020 0.000 0.928 266 K CB 0.356 32.870 32.500 0.024 0.000 0.983 266 K HN 0.225 nan 8.250 nan 0.000 0.484 267 P HA 0.026 nan 4.420 nan 0.000 0.268 267 P C -0.993 176.320 177.300 0.022 0.000 1.204 267 P CA 0.362 63.473 63.100 0.018 0.000 0.768 267 P CB 0.515 32.226 31.700 0.019 0.000 0.842 268 D N -1.331 119.083 120.400 0.022 0.000 2.876 268 D HA -0.164 4.472 4.640 -0.008 0.000 0.196 268 D C 0.292 176.608 176.300 0.027 0.000 1.014 268 D CA 1.652 55.665 54.000 0.022 0.000 1.012 268 D CB -1.926 38.887 40.800 0.021 0.000 1.080 268 D HN 0.554 nan 8.370 nan 0.000 0.438 269 A N 0.310 123.151 122.820 0.035 0.000 2.340 269 A HA 0.547 4.863 4.320 -0.008 0.000 0.268 269 A C 0.622 178.240 177.584 0.057 0.000 1.100 269 A CA 0.238 52.303 52.037 0.047 0.000 0.803 269 A CB 0.578 19.614 19.000 0.060 0.000 1.043 269 A HN 0.033 nan 8.150 nan 0.000 0.488 270 T N 2.741 117.329 114.554 0.056 0.000 2.729 270 T HA 0.243 4.588 4.350 -0.008 0.000 0.296 270 T C 0.589 175.361 174.700 0.120 0.000 0.928 270 T CA 0.069 62.203 62.100 0.056 0.000 1.045 270 T CB 0.228 69.105 68.868 0.016 0.000 0.902 270 T HN 0.529 nan 8.240 nan 0.000 0.500 271 F N 4.808 124.722 119.950 -0.061 0.000 2.147 271 F HA 0.226 4.750 4.527 -0.005 0.000 0.291 271 F C 0.577 176.308 175.800 -0.114 0.000 1.093 271 F CA 0.322 58.277 58.000 -0.075 0.000 1.263 271 F CB 0.216 39.157 39.000 -0.100 0.000 1.036 271 F HN 0.368 nan 8.300 nan 0.000 0.481 272 V N -1.243 118.471 119.914 -0.333 0.000 2.962 272 V HA 0.530 4.646 4.120 -0.008 0.000 0.313 272 V C -0.317 175.652 176.094 -0.208 0.000 1.099 272 V CA -0.840 61.224 62.300 -0.394 0.000 0.971 272 V CB 1.024 32.472 31.823 -0.626 0.000 1.028 272 V HN -0.011 nan 8.190 nan 0.000 0.430 273 T N 3.249 117.712 114.554 -0.152 0.000 2.867 273 T HA 0.597 4.942 4.350 -0.008 0.000 0.282 273 T C -0.664 173.983 174.700 -0.089 0.000 1.000 273 T CA -0.411 61.628 62.100 -0.102 0.000 1.042 273 T CB 1.250 70.072 68.868 -0.076 0.000 0.973 273 T HN 0.722 nan 8.240 nan 0.000 0.465 274 Q N 1.465 121.220 119.800 -0.074 0.000 2.372 274 Q HA 0.389 4.724 4.340 -0.008 0.000 0.273 274 Q C -0.468 175.493 176.000 -0.064 0.000 1.078 274 Q CA -0.879 54.892 55.803 -0.052 0.000 0.806 274 Q CB 2.923 31.640 28.738 -0.035 0.000 1.332 274 Q HN 0.580 nan 8.270 nan 0.000 0.435 275 R N 0.495 120.951 120.500 -0.073 0.000 2.623 275 R HA 0.319 4.654 4.340 -0.008 0.000 0.271 275 R C -0.611 175.601 176.300 -0.145 0.000 1.043 275 R CA 0.007 56.010 56.100 -0.162 0.000 1.083 275 R CB 0.525 30.691 30.300 -0.223 0.000 0.974 275 R HN 0.381 nan 8.270 nan 0.000 0.436 276 V N 5.699 125.481 119.914 -0.220 0.000 2.680 276 V HA 0.512 4.627 4.120 -0.008 0.000 0.309 276 V C -1.471 174.455 176.094 -0.280 0.000 1.052 276 V CA -0.848 61.374 62.300 -0.130 0.000 0.908 276 V CB 1.260 33.047 31.823 -0.059 0.000 1.001 276 V HN 0.806 nan 8.190 nan 0.000 0.431 277 W N 6.144 127.309 121.300 -0.225 0.000 2.417 277 W HA 0.688 5.343 4.660 -0.009 0.000 0.317 277 W C -0.062 176.286 176.519 -0.284 0.000 1.121 277 W CA -0.446 56.615 57.345 -0.474 0.000 1.208 277 W CB 0.745 29.662 29.460 -0.905 0.000 1.253 277 W HN 0.639 nan 8.180 nan 0.000 0.533 278 F N 0.327 120.388 119.950 0.185 0.000 3.043 278 F HA -0.145 4.377 4.527 -0.008 0.000 0.290 278 F C 0.702 176.543 175.800 0.067 0.000 0.844 278 F CA 0.275 58.352 58.000 0.128 0.000 1.184 278 F CB -1.839 37.249 39.000 0.147 0.000 1.246 278 F HN 0.403 nan 8.300 nan 0.000 0.536 279 G N 0.152 109.047 108.800 0.159 0.000 2.667 279 G HA2 0.524 4.479 3.960 -0.008 0.000 0.310 279 G HA3 0.524 4.479 3.960 -0.008 0.000 0.310 279 G C 0.323 175.255 174.900 0.053 0.000 1.259 279 G CA 0.028 45.183 45.100 0.092 0.000 1.019 279 G HN 0.137 nan 8.290 nan 0.000 0.496 280 D N -1.370 119.051 120.400 0.035 0.000 2.349 280 D HA 0.054 4.690 4.640 -0.008 0.000 0.224 280 D C 0.514 176.813 176.300 -0.001 0.000 1.029 280 D CA 0.470 54.481 54.000 0.018 0.000 0.879 280 D CB 0.354 41.165 40.800 0.018 0.000 0.906 280 D HN 0.227 nan 8.370 nan 0.000 0.528 281 K N -0.608 119.785 120.400 -0.012 0.000 2.469 281 K HA 0.298 4.614 4.320 -0.008 0.000 0.254 281 K C 0.433 176.996 176.600 -0.062 0.000 0.939 281 K CA -0.464 55.804 56.287 -0.032 0.000 0.812 281 K CB 1.800 34.283 32.500 -0.027 0.000 1.301 281 K HN -0.096 nan 8.250 nan 0.000 0.433 282 S N 0.884 116.532 115.700 -0.088 0.000 2.558 282 S HA -0.011 4.454 4.470 -0.008 0.000 0.217 282 S C 0.247 174.748 174.600 -0.166 0.000 0.975 282 S CA 0.118 58.228 58.200 -0.149 0.000 0.912 282 S CB -0.136 62.971 63.200 -0.156 0.000 0.776 282 S HN 0.650 nan 8.310 nan 0.000 0.526 283 E N 0.048 120.182 120.200 -0.111 0.000 2.412 283 E HA 0.636 4.981 4.350 -0.008 0.000 0.279 283 E C -1.807 174.754 176.600 -0.065 0.000 0.984 283 E CA -1.100 55.241 56.400 -0.098 0.000 0.788 283 E CB 1.451 31.094 29.700 -0.095 0.000 1.277 283 E HN 0.070 nan 8.360 nan 0.000 0.455 284 V N 1.528 121.408 119.914 -0.057 0.000 2.841 284 V HA 0.490 4.605 4.120 -0.008 0.000 0.310 284 V C -1.423 174.644 176.094 -0.044 0.000 1.090 284 V CA -0.834 61.441 62.300 -0.041 0.000 0.930 284 V CB 1.993 33.798 31.823 -0.030 0.000 1.014 284 V HN 0.676 nan 8.190 nan 0.000 0.425 285 N N 5.616 124.295 118.700 -0.035 0.000 2.472 285 N HA 0.548 5.283 4.740 -0.008 0.000 0.277 285 N C -0.911 174.579 175.510 -0.033 0.000 1.081 285 N CA -0.060 52.969 53.050 -0.035 0.000 0.973 285 N CB 1.408 39.883 38.487 -0.020 0.000 1.105 285 N HN 0.583 nan 8.380 nan 0.000 0.470 286 L N 0.686 121.880 121.223 -0.048 0.000 2.342 286 L HA 0.812 5.148 4.340 -0.008 0.000 0.271 286 L C 0.978 177.850 176.870 0.003 0.000 1.008 286 L CA -0.764 54.050 54.840 -0.043 0.000 0.818 286 L CB 2.014 44.012 42.059 -0.101 0.000 1.296 286 L HN 0.523 nan 8.230 nan 0.000 0.427 287 G N 0.110 108.924 108.800 0.023 0.000 2.815 287 G HA2 0.565 4.520 3.960 -0.008 0.000 0.305 287 G HA3 0.565 4.520 3.960 -0.008 0.000 0.305 287 G C -0.325 174.589 174.900 0.024 0.000 1.277 287 G CA 0.242 45.376 45.100 0.056 0.000 0.795 287 G HN 0.594 nan 8.290 nan 0.000 0.528 288 A N -1.659 121.166 122.820 0.009 0.000 2.252 288 A HA 0.595 4.910 4.320 -0.008 0.000 0.213 288 A C 1.764 179.350 177.584 0.003 0.000 1.188 288 A CA 1.400 53.435 52.037 -0.003 0.000 0.863 288 A CB -0.730 18.270 19.000 0.000 0.000 0.893 288 A HN 2.624 nan 8.150 nan 0.000 0.495 289 G N 0.103 108.907 108.800 0.006 0.000 2.561 289 G HA2 -0.365 3.590 3.960 -0.008 0.000 0.289 289 G HA3 -0.365 3.590 3.960 -0.008 0.000 0.289 289 G C 0.507 175.406 174.900 -0.002 0.000 1.169 289 G CA 0.732 45.834 45.100 0.004 0.000 0.980 289 G HN 0.359 nan 8.290 nan 0.000 0.550 290 E N 1.153 121.343 120.200 -0.016 0.000 2.474 290 E HA 0.553 4.898 4.350 -0.008 0.000 0.195 290 E C 1.763 178.330 176.600 -0.056 0.000 1.039 290 E CA 0.965 57.345 56.400 -0.032 0.000 0.881 290 E CB 0.318 29.992 29.700 -0.043 0.000 0.970 290 E HN 0.949 nan 8.360 nan 0.000 0.486 291 A N 0.030 122.826 122.820 -0.039 0.000 2.708 291 A HA 0.407 4.722 4.320 -0.008 0.000 0.293 291 A C 1.383 178.965 177.584 -0.004 0.000 1.303 291 A CA 0.129 52.141 52.037 -0.042 0.000 0.949 291 A CB -0.159 18.823 19.000 -0.030 0.000 1.121 291 A HN 0.189 nan 8.150 nan 0.000 0.542 292 G N -0.500 108.294 108.800 -0.010 0.000 3.314 292 G HA2 0.316 4.271 3.960 -0.008 0.000 0.238 292 G HA3 0.316 4.271 3.960 -0.008 0.000 0.238 292 G C 0.280 175.105 174.900 -0.125 0.000 1.184 292 G CA 0.145 45.253 45.100 0.012 0.000 0.806 292 G HN 0.381 nan 8.290 nan 0.000 0.536 293 S N -0.475 115.132 115.700 -0.156 0.000 2.578 293 S HA 0.625 5.090 4.470 -0.008 0.000 0.283 293 S C -0.192 174.227 174.600 -0.302 0.000 1.195 293 S CA -0.491 57.589 58.200 -0.199 0.000 1.050 293 S CB 2.050 65.175 63.200 -0.125 0.000 1.012 293 S HN 0.576 nan 8.310 nan 0.000 0.511 294 V N 0.504 120.222 119.914 -0.328 0.000 2.925 294 V HA 0.759 4.875 4.120 -0.008 0.000 0.311 294 V C -0.550 175.442 176.094 -0.170 0.000 1.104 294 V CA -0.636 61.465 62.300 -0.332 0.000 0.954 294 V CB 1.782 33.267 31.823 -0.564 0.000 1.022 294 V HN 0.684 nan 8.190 nan 0.000 0.427 295 T N 6.584 121.070 114.554 -0.113 0.000 2.749 295 T HA 0.737 5.082 4.350 -0.008 0.000 0.287 295 T C -0.093 174.624 174.700 0.028 0.000 0.970 295 T CA -0.095 61.981 62.100 -0.040 0.000 0.980 295 T CB 0.602 69.424 68.868 -0.076 0.000 0.924 295 T HN 1.009 nan 8.240 nan 0.000 0.456 296 I N 0.736 121.368 120.570 0.103 0.000 2.828 296 I HA 0.703 4.868 4.170 -0.008 0.000 0.302 296 I C -3.101 173.143 176.117 0.211 0.000 1.101 296 I CA -3.615 57.770 61.300 0.141 0.000 1.031 296 I CB 2.248 40.279 38.000 0.052 0.000 1.231 296 I HN 0.251 nan 8.210 nan 0.000 0.427 297 P HA 0.124 nan 4.420 nan 0.000 0.267 297 P C -0.808 176.447 177.300 -0.074 0.000 1.200 297 P CA -0.007 63.025 63.100 -0.113 0.000 0.772 297 P CB 0.414 32.042 31.700 -0.119 0.000 0.855 298 R N 1.684 122.109 120.500 -0.125 0.000 2.679 298 R HA 0.295 4.630 4.340 -0.008 0.000 0.268 298 R C 1.549 177.824 176.300 -0.041 0.000 1.044 298 R CA 1.609 57.672 56.100 -0.061 0.000 1.105 298 R CB -0.533 29.722 30.300 -0.076 0.000 0.989 298 R HN 0.850 nan 8.270 nan 0.000 0.447 299 G N 1.361 110.149 108.800 -0.021 0.000 2.184 299 G HA2 -0.263 3.692 3.960 -0.008 0.000 0.264 299 G HA3 -0.263 3.692 3.960 -0.008 0.000 0.264 299 G C 0.604 175.502 174.900 -0.003 0.000 0.975 299 G CA 0.100 45.193 45.100 -0.012 0.000 0.642 299 G HN 0.523 nan 8.290 nan 0.000 0.536 300 Q N -0.630 119.170 119.800 -0.000 0.000 2.280 300 Q HA 0.348 4.683 4.340 -0.008 0.000 0.201 300 Q C 2.344 178.354 176.000 0.017 0.000 0.890 300 Q CA 0.532 56.340 55.803 0.010 0.000 0.947 300 Q CB 0.247 28.994 28.738 0.015 0.000 1.081 300 Q HN 0.678 nan 8.270 nan 0.000 0.502 301 L N 0.919 122.150 121.223 0.014 0.000 2.005 301 L HA -0.141 4.195 4.340 -0.008 0.000 0.207 301 L C 1.703 178.589 176.870 0.025 0.000 1.072 301 L CA 1.877 56.727 54.840 0.017 0.000 0.744 301 L CB -0.387 41.679 42.059 0.011 0.000 0.895 301 L HN -0.044 nan 8.230 nan 0.000 0.433 302 K N -0.043 120.370 120.400 0.023 0.000 2.128 302 K HA -0.294 4.021 4.320 -0.008 0.000 0.220 302 K C 1.559 178.179 176.600 0.032 0.000 1.049 302 K CA 2.224 58.527 56.287 0.026 0.000 0.948 302 K CB -0.822 31.689 32.500 0.019 0.000 0.742 302 K HN 0.509 nan 8.250 nan 0.000 0.465 303 N N 0.652 119.371 118.700 0.032 0.000 2.370 303 N HA 0.023 4.758 4.740 -0.008 0.000 0.198 303 N C -0.278 175.262 175.510 0.050 0.000 1.156 303 N CA 0.144 53.217 53.050 0.037 0.000 0.839 303 N CB 0.189 38.695 38.487 0.031 0.000 0.989 303 N HN 0.085 nan 8.380 nan 0.000 0.468 304 L N 0.386 121.643 121.223 0.057 0.000 2.329 304 L HA 0.445 4.781 4.340 -0.008 0.000 0.279 304 L C -0.605 176.327 176.870 0.105 0.000 1.014 304 L CA -0.239 54.649 54.840 0.080 0.000 0.814 304 L CB 1.497 43.596 42.059 0.067 0.000 1.257 304 L HN -0.272 nan 8.230 nan 0.000 0.424 305 K N 3.273 123.755 120.400 0.136 0.000 2.551 305 K HA 0.809 5.125 4.320 -0.008 0.000 0.269 305 K C -1.757 174.948 176.600 0.175 0.000 0.949 305 K CA -0.701 55.677 56.287 0.151 0.000 0.849 305 K CB 2.245 34.812 32.500 0.112 0.000 1.411 305 K HN 0.760 nan 8.250 nan 0.000 0.432 306 A N 1.232 124.158 122.820 0.176 0.000 2.337 306 A HA 0.823 5.139 4.320 -0.008 0.000 0.331 306 A C -0.893 176.789 177.584 0.163 0.000 1.137 306 A CA -0.416 51.646 52.037 0.041 0.000 0.807 306 A CB 1.444 20.330 19.000 -0.190 0.000 1.250 306 A HN 0.571 nan 8.150 nan 0.000 0.468 307 S N -1.045 114.673 115.700 0.030 0.000 2.685 307 S HA 0.825 5.291 4.470 -0.008 0.000 0.282 307 S C -1.624 173.120 174.600 0.240 0.000 1.159 307 S CA -0.375 57.922 58.200 0.162 0.000 0.833 307 S CB 1.562 64.767 63.200 0.009 0.000 1.151 307 S HN 1.170 nan 8.310 nan 0.000 0.485 308 Y N -1.329 119.017 120.300 0.078 0.000 2.552 308 Y HA 0.689 5.234 4.550 -0.008 0.000 0.337 308 Y C -0.607 175.302 175.900 0.015 0.000 1.094 308 Y CA -1.126 57.004 58.100 0.049 0.000 1.028 308 Y CB 0.442 38.980 38.460 0.131 0.000 1.321 308 Y HN 0.575 nan 8.280 nan 0.000 0.456 309 T N 2.128 116.728 114.554 0.077 0.000 2.733 309 T HA 0.555 4.900 4.350 -0.008 0.000 0.294 309 T C -0.322 174.499 174.700 0.202 0.000 0.956 309 T CA -0.700 61.427 62.100 0.046 0.000 0.987 309 T CB 0.137 69.010 68.868 0.010 0.000 0.920 309 T HN 0.750 nan 8.240 nan 0.000 0.470 310 L N 4.458 125.829 121.223 0.247 0.000 2.513 310 L HA 0.142 4.477 4.340 -0.008 0.000 0.272 310 L C 1.755 178.677 176.870 0.087 0.000 1.187 310 L CA -0.379 54.572 54.840 0.186 0.000 0.895 310 L CB -0.260 41.910 42.059 0.185 0.000 1.147 310 L HN 0.832 nan 8.230 nan 0.000 0.483 311 T N 1.483 116.077 114.554 0.067 0.000 2.845 311 T HA -0.107 4.239 4.350 -0.008 0.000 0.224 311 T C 0.352 175.068 174.700 0.026 0.000 1.102 311 T CA -0.054 62.069 62.100 0.038 0.000 1.937 311 T CB -0.204 68.683 68.868 0.031 0.000 1.225 311 T HN 0.558 nan 8.240 nan 0.000 0.383 312 E N 3.030 123.242 120.200 0.021 0.000 3.072 312 E HA -0.064 4.282 4.350 -0.008 0.000 0.241 312 E C -1.585 175.027 176.600 0.020 0.000 0.962 312 E CA -0.502 55.906 56.400 0.014 0.000 0.955 312 E CB 0.432 30.141 29.700 0.016 0.000 0.899 312 E HN 0.342 nan 8.360 nan 0.000 0.547 313 P HA -0.131 nan 4.420 nan 0.000 0.239 313 P C -0.268 177.046 177.300 0.024 0.000 1.184 313 P CA 0.795 63.903 63.100 0.014 0.000 0.760 313 P CB 0.533 32.229 31.700 -0.007 0.000 0.884 314 Q N -0.274 119.535 119.800 0.014 0.000 2.275 314 Q HA 0.416 4.752 4.340 -0.008 0.000 0.258 314 Q C -1.638 174.390 176.000 0.047 0.000 0.960 314 Q CA -0.490 55.323 55.803 0.016 0.000 0.801 314 Q CB 0.975 29.642 28.738 -0.118 0.000 1.302 314 Q HN -0.159 nan 8.270 nan 0.000 0.433 315 L N 2.820 124.118 121.223 0.125 0.000 2.290 315 L HA 0.611 4.946 4.340 -0.008 0.000 0.284 315 L C -0.033 176.924 176.870 0.146 0.000 1.078 315 L CA 0.354 55.258 54.840 0.107 0.000 0.815 315 L CB 1.257 43.364 42.059 0.081 0.000 1.162 315 L HN 0.757 nan 8.230 nan 0.000 0.435 316 T N 1.313 115.925 114.554 0.098 0.000 2.861 316 T HA 0.848 5.193 4.350 -0.008 0.000 0.287 316 T C 0.010 174.778 174.700 0.112 0.000 1.003 316 T CA -0.747 61.424 62.100 0.118 0.000 0.977 316 T CB 1.496 70.436 68.868 0.119 0.000 0.996 316 T HN 0.736 nan 8.240 nan 0.000 0.448 317 A N 4.578 127.476 122.820 0.129 0.000 2.492 317 A HA 0.536 4.851 4.320 -0.008 0.000 0.236 317 A C -1.794 175.858 177.584 0.114 0.000 1.078 317 A CA -1.001 51.102 52.037 0.112 0.000 0.773 317 A CB -0.731 18.340 19.000 0.118 0.000 1.023 317 A HN 0.817 nan 8.150 nan 0.000 0.504 318 P HA 0.385 nan 4.420 nan 0.000 0.275 318 P C -1.018 176.310 177.300 0.047 0.000 1.227 318 P CA 0.087 63.221 63.100 0.058 0.000 0.781 318 P CB 0.669 32.396 31.700 0.045 0.000 0.906 319 L N 2.504 123.749 121.223 0.037 0.000 2.334 319 L HA 0.510 4.846 4.340 -0.008 0.000 0.276 319 L C 0.652 177.535 176.870 0.021 0.000 1.014 319 L CA -0.799 54.057 54.840 0.027 0.000 0.815 319 L CB 1.863 43.936 42.059 0.022 0.000 1.268 319 L HN 0.263 nan 8.230 nan 0.000 0.428 320 K N 2.048 122.459 120.400 0.018 0.000 2.270 320 K HA 0.296 4.611 4.320 -0.008 0.000 0.255 320 K C -0.639 175.968 176.600 0.012 0.000 0.936 320 K CA -0.950 55.346 56.287 0.015 0.000 0.809 320 K CB 2.234 34.743 32.500 0.015 0.000 1.131 320 K HN 0.356 nan 8.250 nan 0.000 0.427 321 K N 1.303 121.710 120.400 0.011 0.000 2.466 321 K HA -0.108 4.208 4.320 -0.008 0.000 0.278 321 K C 0.529 177.134 176.600 0.010 0.000 1.048 321 K CA 1.593 57.886 56.287 0.009 0.000 1.088 321 K CB -0.079 32.427 32.500 0.010 0.000 0.884 321 K HN 0.878 nan 8.250 nan 0.000 0.478 322 G N 2.726 111.531 108.800 0.008 0.000 2.213 322 G HA2 -0.307 3.649 3.960 -0.008 0.000 0.236 322 G HA3 -0.307 3.649 3.960 -0.008 0.000 0.236 322 G C 0.049 174.954 174.900 0.008 0.000 0.991 322 G CA 0.373 45.478 45.100 0.008 0.000 0.629 322 G HN 0.735 nan 8.290 nan 0.000 0.517 323 Q N 0.935 120.740 119.800 0.009 0.000 2.300 323 Q HA 0.422 4.757 4.340 -0.008 0.000 0.280 323 Q C 0.501 176.506 176.000 0.009 0.000 1.033 323 Q CA 0.217 56.026 55.803 0.010 0.000 0.903 323 Q CB 1.187 29.932 28.738 0.013 0.000 1.195 323 Q HN 1.079 nan 8.270 nan 0.000 0.386 324 V N 4.921 124.841 119.914 0.009 0.000 2.465 324 V HA 0.396 4.512 4.120 -0.008 0.000 0.279 324 V C 0.123 176.225 176.094 0.014 0.000 1.045 324 V CA 0.134 62.439 62.300 0.010 0.000 0.938 324 V CB 1.271 33.098 31.823 0.008 0.000 0.986 324 V HN 0.777 nan 8.190 nan 0.000 0.467 325 V N 3.665 123.588 119.914 0.016 0.000 3.078 325 V HA 0.933 5.048 4.120 -0.008 0.000 0.344 325 V C 0.494 176.609 176.094 0.034 0.000 1.409 325 V CA 0.662 62.975 62.300 0.022 0.000 1.146 325 V CB -0.575 31.260 31.823 0.020 0.000 1.126 325 V HN 1.705 nan 8.190 nan 0.000 0.513 326 G N -0.288 108.533 108.800 0.036 0.000 2.441 326 G HA2 0.411 4.366 3.960 -0.008 0.000 0.222 326 G HA3 0.411 4.366 3.960 -0.008 0.000 0.222 326 G C -0.810 174.121 174.900 0.051 0.000 1.254 326 G CA 0.215 45.349 45.100 0.056 0.000 0.959 326 G HN 0.455 nan 8.290 nan 0.000 0.474 327 T N 0.535 115.135 114.554 0.078 0.000 3.293 327 T HA 0.536 4.882 4.350 -0.008 0.000 0.320 327 T C -0.696 174.042 174.700 0.064 0.000 0.995 327 T CA -0.264 61.867 62.100 0.053 0.000 1.041 327 T CB 0.775 69.669 68.868 0.044 0.000 1.058 327 T HN 0.572 nan 8.240 nan 0.000 0.453 328 I N 3.195 123.756 120.570 -0.015 0.000 2.385 328 I HA 0.526 4.692 4.170 -0.008 0.000 0.294 328 I C -0.129 175.855 176.117 -0.221 0.000 0.988 328 I CA -0.524 60.689 61.300 -0.146 0.000 1.265 328 I CB 1.505 39.291 38.000 -0.356 0.000 1.388 328 I HN 0.540 nan 8.210 nan 0.000 0.480 329 D N 5.228 125.460 120.400 -0.281 0.000 2.649 329 D HA 0.498 5.133 4.640 -0.008 0.000 0.249 329 D C -1.426 174.707 176.300 -0.279 0.000 1.112 329 D CA -0.281 53.609 54.000 -0.182 0.000 0.850 329 D CB 1.223 41.989 40.800 -0.057 0.000 1.399 329 D HN 0.177 nan 8.370 nan 0.000 0.503 330 F N 1.851 121.801 119.950 0.000 0.000 2.480 330 F HA 0.457 4.979 4.527 -0.007 0.000 0.329 330 F C 0.411 176.217 175.800 0.011 0.000 1.091 330 F CA -0.648 57.349 58.000 -0.005 0.000 0.972 330 F CB 1.992 40.977 39.000 -0.025 0.000 1.150 330 F HN 0.105 nan 8.300 nan 0.000 0.467 331 Q N 3.344 123.275 119.800 0.218 0.000 2.321 331 Q HA 0.445 4.780 4.340 -0.008 0.000 0.270 331 Q C -1.704 174.362 176.000 0.110 0.000 1.032 331 Q CA -1.038 54.840 55.803 0.124 0.000 0.784 331 Q CB 3.223 32.014 28.738 0.087 0.000 1.264 331 Q HN 0.475 nan 8.270 nan 0.000 0.448 332 L N 4.478 125.750 121.223 0.083 0.000 2.349 332 L HA 0.268 4.604 4.340 -0.008 0.000 0.278 332 L C -0.411 176.489 176.870 0.051 0.000 0.996 332 L CA -0.138 54.742 54.840 0.066 0.000 0.825 332 L CB 1.046 43.143 42.059 0.063 0.000 1.243 332 L HN 0.706 nan 8.230 nan 0.000 0.412 338 E N 1.149 121.434 120.200 0.142 0.000 2.392 338 E HA 0.525 4.870 4.350 -0.008 0.000 0.279 338 E C -1.704 175.018 176.600 0.203 0.000 0.964 338 E CA -0.408 56.080 56.400 0.145 0.000 0.777 338 E CB 2.283 32.051 29.700 0.113 0.000 1.249 338 E HN 0.063 nan 8.360 nan 0.000 0.449 339 Q N 2.160 122.041 119.800 0.134 0.000 2.331 339 Q HA 0.541 4.877 4.340 -0.008 0.000 0.272 339 Q C -1.127 174.919 176.000 0.076 0.000 1.062 339 Q CA -1.007 54.852 55.803 0.093 0.000 0.806 339 Q CB 2.265 31.027 28.738 0.039 0.000 1.312 339 Q HN 0.303 nan 8.270 nan 0.000 0.431 340 R N 1.397 121.932 120.500 0.058 0.000 2.740 340 R HA 0.521 4.856 4.340 -0.008 0.000 0.273 340 R C -2.787 173.521 176.300 0.014 0.000 0.998 340 R CA -2.229 53.900 56.100 0.048 0.000 0.900 340 R CB 1.390 31.751 30.300 0.102 0.000 1.223 340 R HN 0.461 nan 8.270 nan 0.000 0.466 341 P HA 0.008 nan 4.420 nan 0.000 0.267 341 P C -0.415 176.886 177.300 0.003 0.000 1.200 341 P CA -0.321 62.783 63.100 0.007 0.000 0.772 341 P CB 0.572 32.275 31.700 0.004 0.000 0.855 342 L N 5.008 126.237 121.223 0.011 0.000 2.264 342 L HA 0.484 4.820 4.340 -0.008 0.000 0.289 342 L C -0.126 176.745 176.870 0.002 0.000 1.044 342 L CA -0.474 54.370 54.840 0.007 0.000 0.807 342 L CB -0.010 42.062 42.059 0.022 0.000 1.192 342 L HN 0.293 nan 8.230 nan 0.000 0.425 343 I N 2.786 123.355 120.570 -0.001 0.000 2.740 343 I HA 0.602 4.767 4.170 -0.008 0.000 0.303 343 I C -0.746 175.369 176.117 -0.004 0.000 1.044 343 I CA -1.161 60.139 61.300 0.000 0.000 1.064 343 I CB 2.036 40.037 38.000 0.002 0.000 1.249 343 I HN 0.226 nan 8.210 nan 0.000 0.433 344 V N 5.953 125.866 119.914 -0.002 0.000 2.572 344 V HA 0.076 4.192 4.120 -0.008 0.000 0.291 344 V C 1.065 177.159 176.094 -0.000 0.000 1.039 344 V CA -0.060 62.238 62.300 -0.004 0.000 1.055 344 V CB 1.205 33.029 31.823 0.002 0.000 0.969 344 V HN 0.770 nan 8.190 nan 0.000 0.482 345 M N 3.665 123.264 119.600 -0.002 0.000 2.371 345 M HA 0.281 4.756 4.480 -0.008 0.000 0.246 345 M C 0.432 176.734 176.300 0.003 0.000 1.103 345 M CA 0.425 55.726 55.300 0.003 0.000 1.010 345 M CB -0.412 32.190 32.600 0.004 0.000 1.457 345 M HN 0.878 nan 8.290 nan 0.000 0.486 346 E N -0.127 120.074 120.200 0.001 0.000 2.372 346 E HA 0.383 4.728 4.350 -0.008 0.000 0.279 346 E C -1.349 175.253 176.600 0.003 0.000 0.946 346 E CA -0.771 55.630 56.400 0.002 0.000 0.769 346 E CB 0.719 30.418 29.700 -0.002 0.000 1.230 346 E HN 0.064 nan 8.360 nan 0.000 0.442 347 N N 0.468 119.172 118.700 0.006 0.000 2.492 347 N HA 0.306 5.042 4.740 -0.008 0.000 0.262 347 N C -1.073 174.442 175.510 0.008 0.000 1.202 347 N CA -0.184 52.871 53.050 0.009 0.000 0.926 347 N CB 1.191 39.685 38.487 0.011 0.000 1.078 347 N HN 0.225 nan 8.380 nan 0.000 0.454 348 V N 1.321 121.243 119.914 0.012 0.000 2.419 348 V HA 0.198 4.313 4.120 -0.008 0.000 0.287 348 V C 0.062 176.171 176.094 0.026 0.000 1.017 348 V CA -0.713 61.596 62.300 0.015 0.000 0.844 348 V CB 1.157 32.986 31.823 0.010 0.000 1.011 348 V HN 0.663 nan 8.190 nan 0.000 0.429 349 E N 2.402 122.617 120.200 0.026 0.000 2.392 349 E HA 0.203 4.549 4.350 -0.008 0.000 0.256 349 E C 0.343 176.972 176.600 0.048 0.000 1.145 349 E CA -0.269 56.151 56.400 0.033 0.000 0.929 349 E CB 0.694 30.409 29.700 0.026 0.000 0.998 349 E HN 0.627 nan 8.360 nan 0.000 0.442 350 E N 0.286 120.520 120.200 0.056 0.000 2.413 350 E HA 0.024 4.369 4.350 -0.008 0.000 0.263 350 E C -0.017 176.621 176.600 0.063 0.000 1.015 350 E CA -0.004 56.441 56.400 0.075 0.000 0.916 350 E CB 0.712 30.452 29.700 0.066 0.000 0.947 350 E HN 0.594 nan 8.360 nan 0.000 0.440 351 G N 1.547 110.397 108.800 0.083 0.000 2.664 351 G HA2 0.368 4.323 3.960 -0.008 0.000 0.242 351 G HA3 0.368 4.323 3.960 -0.008 0.000 0.242 351 G C 0.068 174.992 174.900 0.040 0.000 1.225 351 G CA 0.128 45.267 45.100 0.064 0.000 0.849 351 G HN 0.516 nan 8.290 nan 0.000 0.581 352 G N 0.000 108.817 108.800 0.028 0.000 5.446 352 G HA2 0.000 3.955 3.960 -0.008 0.000 0.244 352 G HA3 0.000 3.955 3.960 -0.008 0.000 0.244 352 G CA 0.000 45.109 45.100 0.016 0.000 0.502 352 G HN 0.000 nan 8.290 nan 0.000 0.925