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 2vem_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKPQPIAAAN WKXSXXXXSL SELIDLFNST SINHDVQCVV ASTFVHLAMT DATA SEQUENCE KERLSHPKFV IAAQNAGNAD AXXXXXXXLA SLKDFGVNWI VLGHSERRWY DATA SEQUENCE YGETNEIVAD KVAAAVASGF MVIACIGETL QERESGRTAV VVLTQIAAIA DATA SEQUENCE KKLKKADWAK VVIAYEPVWA IGTGKVATPQ QAQEAHALIR SWVSSKIGAD DATA SEQUENCE VAGELRILYG GSVNGKNART LYQQRDVNGF LAGXXXLKPE FVDIIKATQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.610 174.600 0.016 0.000 1.055 2 S CA 0.000 58.209 58.200 0.015 0.000 1.107 2 S CB 0.000 63.209 63.200 0.016 0.000 0.593 3 K N 2.493 122.911 120.400 0.029 0.000 2.203 3 K HA 0.566 4.825 4.320 -0.102 0.000 0.251 3 K C -2.568 174.071 176.600 0.064 0.000 0.944 3 K CA -1.916 54.393 56.287 0.036 0.000 0.829 3 K CB 1.356 33.875 32.500 0.032 0.000 1.125 3 K HN 0.319 nan 8.250 nan 0.000 0.430 4 P HA -0.021 nan 4.420 nan 0.000 0.275 4 P C -0.925 176.440 177.300 0.108 0.000 1.266 4 P CA -0.540 62.609 63.100 0.082 0.000 0.793 4 P CB 0.471 32.221 31.700 0.083 0.000 1.074 5 Q N 1.224 121.087 119.800 0.104 0.000 2.269 5 Q HA 0.027 4.305 4.340 -0.102 0.000 0.300 5 Q C -1.840 174.237 176.000 0.128 0.000 1.070 5 Q CA -1.077 54.791 55.803 0.108 0.000 0.957 5 Q CB -0.038 28.755 28.738 0.092 0.000 1.131 5 Q HN 0.241 nan 8.270 nan 0.000 0.377 6 P HA 0.096 nan 4.420 nan 0.000 0.270 6 P C -0.645 176.699 177.300 0.072 0.000 1.223 6 P CA 0.350 63.535 63.100 0.142 0.000 0.785 6 P CB 0.668 32.428 31.700 0.099 0.000 0.923 7 I N 0.303 120.917 120.570 0.074 0.000 2.509 7 I HA 0.540 4.648 4.170 -0.102 0.000 0.293 7 I C -0.186 175.952 176.117 0.036 0.000 1.020 7 I CA -1.019 60.301 61.300 0.034 0.000 1.088 7 I CB 2.162 40.225 38.000 0.105 0.000 1.267 7 I HN 0.277 nan 8.210 nan 0.000 0.430 8 A N 4.856 127.666 122.820 -0.017 0.000 2.310 8 A HA 0.870 5.129 4.320 -0.102 0.000 0.304 8 A C -0.608 177.136 177.584 0.266 0.000 1.231 8 A CA -0.481 51.605 52.037 0.083 0.000 0.799 8 A CB 1.004 19.878 19.000 -0.210 0.000 1.162 8 A HN 0.761 nan 8.150 nan 0.000 0.486 9 A N 2.004 125.023 122.820 0.332 0.000 2.318 9 A HA 0.798 5.057 4.320 -0.102 0.000 0.317 9 A C 0.104 177.728 177.584 0.068 0.000 1.159 9 A CA 0.034 52.173 52.037 0.170 0.000 0.799 9 A CB 0.975 20.038 19.000 0.104 0.000 1.194 9 A HN 2.031 nan 8.150 nan 0.000 0.479 10 A N 2.765 125.377 122.820 -0.348 0.000 2.271 10 A HA 0.616 4.875 4.320 -0.102 0.000 0.317 10 A C -0.304 177.159 177.584 -0.202 0.000 1.245 10 A CA -0.608 51.090 52.037 -0.566 0.000 0.857 10 A CB 0.194 18.433 19.000 -1.270 0.000 1.175 10 A HN 0.710 nan 8.150 nan 0.000 0.512 11 N N 2.040 120.683 118.700 -0.095 0.000 2.462 11 N HA 0.222 4.900 4.740 -0.102 0.000 0.242 11 N C -1.274 174.265 175.510 0.047 0.000 1.010 11 N CA -0.269 52.760 53.050 -0.035 0.000 0.939 11 N CB 0.461 38.895 38.487 -0.088 0.000 1.127 11 N HN 0.677 nan 8.380 nan 0.000 0.509 12 W N 5.672 126.889 121.300 -0.139 0.000 2.422 12 W HA 0.350 4.948 4.660 -0.102 0.000 0.349 12 W C -0.335 176.107 176.519 -0.128 0.000 1.062 12 W CA -1.018 56.245 57.345 -0.135 0.000 1.497 12 W CB -0.246 29.127 29.460 -0.145 0.000 1.407 12 W HN 0.375 nan 8.180 nan 0.000 0.393 21 L N 1.817 122.873 121.223 -0.279 0.000 2.093 21 L HA 0.259 4.538 4.340 -0.102 0.000 0.208 21 L C 2.061 178.773 176.870 -0.263 0.000 1.085 21 L CA 2.586 57.196 54.840 -0.383 0.000 0.755 21 L CB -0.624 41.182 42.059 -0.422 0.000 0.904 21 L HN 0.318 nan 8.230 nan 0.000 0.435 22 S N -0.696 114.904 115.700 -0.167 0.000 2.368 22 S HA -0.189 4.220 4.470 -0.102 0.000 0.224 22 S C 1.882 176.385 174.600 -0.162 0.000 1.029 22 S CA 1.397 59.519 58.200 -0.129 0.000 0.988 22 S CB -0.245 62.910 63.200 -0.075 0.000 0.838 22 S HN 0.597 nan 8.310 nan 0.000 0.462 23 E N 0.874 120.975 120.200 -0.166 0.000 2.118 23 E HA -0.098 4.190 4.350 -0.102 0.000 0.195 23 E C 1.993 178.436 176.600 -0.262 0.000 0.992 23 E CA 1.074 57.369 56.400 -0.175 0.000 0.804 23 E CB -0.198 29.411 29.700 -0.153 0.000 0.741 23 E HN 0.394 nan 8.360 nan 0.000 0.458 24 L N 0.267 121.279 121.223 -0.351 0.000 2.044 24 L HA -0.120 4.159 4.340 -0.102 0.000 0.205 24 L C 2.174 178.571 176.870 -0.788 0.000 1.075 24 L CA 1.202 55.694 54.840 -0.580 0.000 0.747 24 L CB -0.216 41.504 42.059 -0.565 0.000 0.903 24 L HN 0.243 nan 8.230 nan 0.000 0.435 25 I N -0.004 120.270 120.570 -0.493 0.000 2.208 25 I HA -0.352 3.757 4.170 -0.102 0.000 0.245 25 I C 2.092 178.062 176.117 -0.245 0.000 1.097 25 I CA 1.312 62.416 61.300 -0.326 0.000 1.363 25 I CB -0.421 37.480 38.000 -0.165 0.000 1.051 25 I HN 0.297 nan 8.210 nan 0.000 0.413 26 D N 0.752 121.026 120.400 -0.209 0.000 2.116 26 D HA -0.220 4.359 4.640 -0.102 0.000 0.193 26 D C 2.008 178.228 176.300 -0.133 0.000 0.998 26 D CA 1.266 55.182 54.000 -0.138 0.000 0.836 26 D CB -0.377 40.353 40.800 -0.117 0.000 0.951 26 D HN 0.180 nan 8.370 nan 0.000 0.449 27 L N -0.071 121.019 121.223 -0.222 0.000 2.042 27 L HA -0.177 4.102 4.340 -0.102 0.000 0.210 27 L C 1.996 178.857 176.870 -0.015 0.000 1.076 27 L CA 1.545 56.285 54.840 -0.165 0.000 0.749 27 L CB -0.475 41.423 42.059 -0.268 0.000 0.893 27 L HN -0.089 nan 8.230 nan 0.000 0.432 28 F N -0.149 119.747 119.950 -0.090 0.000 2.163 28 F HA -0.086 4.381 4.527 -0.101 0.000 0.297 28 F C 2.421 178.164 175.800 -0.095 0.000 1.094 28 F CA 0.807 58.708 58.000 -0.166 0.000 1.290 28 F CB -1.522 37.166 39.000 -0.520 0.000 1.017 28 F HN 0.191 nan 8.300 nan 0.000 0.483 29 N N 0.215 118.956 118.700 0.069 0.000 2.149 29 N HA -0.159 4.520 4.740 -0.102 0.000 0.188 29 N C 1.913 177.504 175.510 0.134 0.000 1.019 29 N CA 1.697 54.807 53.050 0.100 0.000 0.857 29 N CB -0.652 37.837 38.487 0.004 0.000 0.997 29 N HN 0.338 nan 8.380 nan 0.000 0.426 30 S N -1.307 114.455 115.700 0.104 0.000 2.558 30 S HA 0.086 4.495 4.470 -0.102 0.000 0.217 30 S C 0.588 175.266 174.600 0.129 0.000 0.975 30 S CA -0.239 58.010 58.200 0.082 0.000 0.912 30 S CB -0.168 63.054 63.200 0.036 0.000 0.776 30 S HN 0.002 nan 8.310 nan 0.000 0.526 31 T N 3.231 117.915 114.554 0.217 0.000 2.729 31 T HA 0.350 4.639 4.350 -0.102 0.000 0.296 31 T C -0.189 174.679 174.700 0.280 0.000 0.928 31 T CA -0.240 61.990 62.100 0.216 0.000 1.045 31 T CB 1.105 70.111 68.868 0.231 0.000 0.902 31 T HN 0.195 nan 8.240 nan 0.000 0.500 32 S N 3.571 119.376 115.700 0.176 0.000 2.488 32 S HA 0.247 4.656 4.470 -0.102 0.000 0.278 32 S C 0.331 175.014 174.600 0.139 0.000 1.259 32 S CA -0.440 57.856 58.200 0.159 0.000 1.061 32 S CB -0.199 63.052 63.200 0.085 0.000 0.910 32 S HN 0.508 nan 8.310 nan 0.000 0.491 33 I N 4.055 124.716 120.570 0.151 0.000 2.354 33 I HA 0.265 4.374 4.170 -0.102 0.000 0.286 33 I C 0.579 176.691 176.117 -0.009 0.000 1.007 33 I CA -0.333 60.977 61.300 0.016 0.000 1.167 33 I CB 1.011 38.942 38.000 -0.116 0.000 1.320 33 I HN 0.525 nan 8.210 nan 0.000 0.458 34 N N 5.761 124.478 118.700 0.028 0.000 2.279 34 N HA 0.080 4.759 4.740 -0.102 0.000 0.226 34 N C -0.342 175.227 175.510 0.099 0.000 1.126 34 N CA 0.080 53.163 53.050 0.056 0.000 0.846 34 N CB 0.166 38.697 38.487 0.073 0.000 1.050 34 N HN 0.655 nan 8.380 nan 0.000 0.502 35 H N -2.164 116.894 119.070 -0.019 0.000 2.977 35 H HA 0.292 4.786 4.556 -0.103 0.000 0.350 35 H C -1.445 173.865 175.328 -0.031 0.000 1.238 35 H CA -0.658 55.375 56.048 -0.025 0.000 1.124 35 H CB 1.018 30.755 29.762 -0.041 0.000 1.866 35 H HN -0.212 nan 8.280 nan 0.000 0.550 36 D N 1.107 121.503 120.400 -0.006 0.000 2.339 36 D HA 0.363 4.942 4.640 -0.102 0.000 0.256 36 D C -0.835 175.415 176.300 -0.083 0.000 1.214 36 D CA 0.010 53.976 54.000 -0.057 0.000 0.877 36 D CB 0.407 41.221 40.800 0.024 0.000 1.111 36 D HN 0.475 nan 8.370 nan 0.000 0.478 37 V N 3.667 123.462 119.914 -0.197 0.000 2.950 37 V HA 0.308 4.367 4.120 -0.102 0.000 0.295 37 V C -1.728 174.238 176.094 -0.213 0.000 1.297 37 V CA -0.795 61.392 62.300 -0.188 0.000 0.962 37 V CB 2.137 33.784 31.823 -0.293 0.000 1.081 37 V HN 0.540 nan 8.190 nan 0.000 0.432 38 Q N 4.878 124.585 119.800 -0.155 0.000 2.322 38 Q HA 0.536 4.815 4.340 -0.102 0.000 0.256 38 Q C -0.747 175.041 176.000 -0.355 0.000 0.960 38 Q CA 0.021 55.694 55.803 -0.218 0.000 0.934 38 Q CB 0.796 29.475 28.738 -0.099 0.000 1.200 38 Q HN 0.904 nan 8.270 nan 0.000 0.435 39 C N 3.144 122.117 119.300 -0.546 0.000 2.370 39 C HA 0.836 5.235 4.460 -0.102 0.000 0.354 39 C C -0.411 174.267 174.990 -0.520 0.000 1.218 39 C CA -0.825 57.789 59.018 -0.673 0.000 2.154 39 C CB 0.712 27.549 27.740 -1.506 0.000 2.391 39 C HN 0.655 nan 8.230 nan 0.000 0.540 40 V N 2.679 122.413 119.914 -0.299 0.000 2.686 40 V HA 0.453 4.512 4.120 -0.102 0.000 0.306 40 V C -0.652 175.392 176.094 -0.084 0.000 1.065 40 V CA -0.431 61.714 62.300 -0.258 0.000 0.894 40 V CB 1.804 33.410 31.823 -0.362 0.000 1.004 40 V HN 0.662 nan 8.190 nan 0.000 0.424 41 V N 4.011 123.923 119.914 -0.002 0.000 2.326 41 V HA 0.690 4.749 4.120 -0.102 0.000 0.281 41 V C 0.498 176.625 176.094 0.054 0.000 1.015 41 V CA -0.436 61.872 62.300 0.012 0.000 0.823 41 V CB 1.555 33.432 31.823 0.089 0.000 1.009 41 V HN 1.007 nan 8.190 nan 0.000 0.436 42 A N 4.095 126.941 122.820 0.043 0.000 2.320 42 A HA 0.788 5.047 4.320 -0.102 0.000 0.287 42 A C 0.162 177.807 177.584 0.101 0.000 1.181 42 A CA -0.068 52.014 52.037 0.074 0.000 0.831 42 A CB 1.062 20.092 19.000 0.051 0.000 1.102 42 A HN 0.709 nan 8.150 nan 0.000 0.513 43 S N 0.729 116.483 115.700 0.091 0.000 2.667 43 S HA 0.731 5.140 4.470 -0.102 0.000 0.292 43 S C 0.217 174.790 174.600 -0.045 0.000 1.126 43 S CA -0.428 57.798 58.200 0.044 0.000 0.881 43 S CB 1.243 64.527 63.200 0.140 0.000 1.132 43 S HN 0.800 nan 8.310 nan 0.000 0.492 44 T N 2.487 116.949 114.554 -0.153 0.000 2.828 44 T HA 0.226 4.515 4.350 -0.102 0.000 0.290 44 T C 0.995 175.663 174.700 -0.054 0.000 1.019 44 T CA -0.215 61.825 62.100 -0.100 0.000 1.031 44 T CB 0.145 68.937 68.868 -0.127 0.000 1.001 44 T HN 0.552 nan 8.240 nan 0.000 0.531 45 F N 1.570 121.421 119.950 -0.165 0.000 2.043 45 F HA -0.205 4.260 4.527 -0.104 0.000 0.297 45 F C 2.482 178.152 175.800 -0.216 0.000 1.118 45 F CA 1.962 59.859 58.000 -0.172 0.000 1.202 45 F CB -0.778 38.121 39.000 -0.169 0.000 0.965 45 F HN 0.311 nan 8.300 nan 0.000 0.482 46 V N 0.309 120.094 119.914 -0.215 0.000 2.469 46 V HA -0.308 3.751 4.120 -0.102 0.000 0.251 46 V C 2.055 177.847 176.094 -0.504 0.000 1.064 46 V CA 2.436 64.490 62.300 -0.410 0.000 1.066 46 V CB -0.754 30.818 31.823 -0.418 0.000 0.667 46 V HN 0.515 nan 8.190 nan 0.000 0.461 47 H N -1.506 117.403 119.070 -0.267 0.000 2.551 47 H HA 0.211 4.706 4.556 -0.103 0.000 0.271 47 H C 2.048 177.323 175.328 -0.088 0.000 0.984 47 H CA 0.340 56.268 56.048 -0.201 0.000 1.164 47 H CB 0.456 29.904 29.762 -0.523 0.000 1.437 47 H HN 0.387 nan 8.280 nan 0.000 0.550 48 L N 0.422 121.588 121.223 -0.095 0.000 2.027 48 L HA -0.094 4.185 4.340 -0.102 0.000 0.206 48 L C 2.660 179.552 176.870 0.037 0.000 1.074 48 L CA 1.097 55.907 54.840 -0.050 0.000 0.745 48 L CB -0.199 41.741 42.059 -0.198 0.000 0.898 48 L HN 0.218 nan 8.230 nan 0.000 0.433 49 A N -0.885 121.893 122.820 -0.070 0.000 1.930 49 A HA -0.225 4.034 4.320 -0.102 0.000 0.217 49 A C 2.267 179.929 177.584 0.131 0.000 1.175 49 A CA 1.372 53.482 52.037 0.122 0.000 0.627 49 A CB -0.458 18.540 19.000 -0.004 0.000 0.815 49 A HN 0.355 nan 8.150 nan 0.000 0.443 50 M N -0.005 119.643 119.600 0.080 0.000 2.067 50 M HA -0.127 4.292 4.480 -0.102 0.000 0.260 50 M C 2.052 178.422 176.300 0.117 0.000 1.069 50 M CA 2.479 57.839 55.300 0.100 0.000 1.117 50 M CB -1.401 31.275 32.600 0.127 0.000 1.334 50 M HN 0.425 nan 8.290 nan 0.000 0.407 51 T N 0.511 115.158 114.554 0.156 0.000 2.684 51 T HA -0.203 4.086 4.350 -0.102 0.000 0.267 51 T C 1.727 176.491 174.700 0.107 0.000 1.036 51 T CA 2.087 64.273 62.100 0.143 0.000 1.148 51 T CB -0.290 68.691 68.868 0.189 0.000 0.863 51 T HN 0.345 nan 8.240 nan 0.000 0.436 52 K N 1.241 121.722 120.400 0.134 0.000 2.211 52 K HA -0.135 4.124 4.320 -0.102 0.000 0.204 52 K C 2.262 178.889 176.600 0.045 0.000 1.047 52 K CA 1.432 57.781 56.287 0.104 0.000 0.935 52 K CB -0.036 32.575 32.500 0.185 0.000 0.728 52 K HN 0.620 nan 8.250 nan 0.000 0.452 53 E N -0.693 119.542 120.200 0.058 0.000 2.190 53 E HA -0.109 4.180 4.350 -0.102 0.000 0.191 53 E C 1.624 178.232 176.600 0.013 0.000 0.978 53 E CA 0.320 56.736 56.400 0.027 0.000 0.839 53 E CB 0.104 29.827 29.700 0.038 0.000 0.787 53 E HN 0.122 nan 8.360 nan 0.000 0.473 54 R N 0.199 120.710 120.500 0.019 0.000 2.206 54 R HA 0.180 4.459 4.340 -0.102 0.000 0.198 54 R C 0.542 176.833 176.300 -0.016 0.000 0.986 54 R CA -0.099 56.000 56.100 -0.002 0.000 1.029 54 R CB -0.159 30.137 30.300 -0.005 0.000 0.966 54 R HN 0.193 nan 8.270 nan 0.000 0.487 55 L N 2.107 123.325 121.223 -0.007 0.000 2.315 55 L HA 0.072 4.351 4.340 -0.102 0.000 0.283 55 L C 0.666 177.534 176.870 -0.004 0.000 1.089 55 L CA 0.451 55.273 54.840 -0.029 0.000 0.833 55 L CB 1.226 43.270 42.059 -0.025 0.000 1.170 55 L HN 0.052 nan 8.230 nan 0.000 0.442 56 S N 1.927 117.627 115.700 -0.001 0.000 2.733 56 S HA 0.143 4.552 4.470 -0.102 0.000 0.247 56 S C 0.585 175.223 174.600 0.063 0.000 1.043 56 S CA -0.269 57.945 58.200 0.022 0.000 1.066 56 S CB -0.435 62.764 63.200 -0.003 0.000 1.045 56 S HN 0.695 nan 8.310 nan 0.000 0.586 57 H N 5.140 124.208 119.070 -0.004 0.000 3.091 57 H HA 0.180 4.675 4.556 -0.102 0.000 0.289 57 H C -1.659 173.778 175.328 0.182 0.000 0.995 57 H CA -0.822 55.286 56.048 0.100 0.000 1.461 57 H CB 1.310 31.155 29.762 0.137 0.000 1.510 57 H HN 0.173 nan 8.280 nan 0.000 0.546 58 P HA -0.076 nan 4.420 nan 0.000 0.230 58 P C 0.657 178.097 177.300 0.234 0.000 1.158 58 P CA 0.909 64.114 63.100 0.176 0.000 0.769 58 P CB 0.335 32.069 31.700 0.057 0.000 0.807 59 K N -1.261 119.399 120.400 0.434 0.000 2.487 59 K HA 0.098 4.357 4.320 -0.102 0.000 0.192 59 K C 0.236 176.763 176.600 -0.121 0.000 1.027 59 K CA 0.227 56.583 56.287 0.114 0.000 1.054 59 K CB -0.098 32.406 32.500 0.005 0.000 0.824 59 K HN 0.178 nan 8.250 nan 0.000 0.510 60 F N 0.674 120.613 119.950 -0.019 0.000 2.458 60 F HA 0.245 4.711 4.527 -0.102 0.000 0.330 60 F C 0.252 175.990 175.800 -0.102 0.000 1.082 60 F CA -1.180 56.759 58.000 -0.102 0.000 0.995 60 F CB 1.418 40.382 39.000 -0.060 0.000 1.170 60 F HN -0.307 nan 8.300 nan 0.000 0.478 61 V N 0.719 120.611 119.914 -0.037 0.000 2.962 61 V HA 0.651 4.710 4.120 -0.102 0.000 0.313 61 V C -0.551 175.512 176.094 -0.051 0.000 1.099 61 V CA -1.152 61.096 62.300 -0.086 0.000 0.971 61 V CB 1.853 33.494 31.823 -0.304 0.000 1.028 61 V HN 0.590 nan 8.190 nan 0.000 0.430 62 I N 2.669 123.264 120.570 0.042 0.000 2.472 62 I HA 0.727 4.836 4.170 -0.102 0.000 0.290 62 I C 0.653 176.857 176.117 0.145 0.000 1.016 62 I CA 0.059 61.417 61.300 0.096 0.000 1.348 62 I CB 1.528 39.613 38.000 0.140 0.000 1.417 62 I HN 1.014 nan 8.210 nan 0.000 0.521 63 A N 4.668 127.583 122.820 0.158 0.000 2.365 63 A HA 0.896 5.155 4.320 -0.102 0.000 0.318 63 A C -0.275 177.427 177.584 0.197 0.000 1.091 63 A CA -0.567 51.618 52.037 0.247 0.000 0.763 63 A CB 1.251 20.398 19.000 0.245 0.000 1.248 63 A HN 0.785 nan 8.150 nan 0.000 0.442 64 A N 1.100 124.053 122.820 0.222 0.000 2.246 64 A HA 0.684 4.943 4.320 -0.102 0.000 0.291 64 A C -0.028 177.599 177.584 0.071 0.000 1.103 64 A CA -0.321 51.798 52.037 0.138 0.000 0.844 64 A CB 0.413 19.505 19.000 0.153 0.000 1.136 64 A HN 0.831 nan 8.150 nan 0.000 0.500 65 Q N -0.671 119.136 119.800 0.011 0.000 2.347 65 Q HA 0.412 4.691 4.340 -0.102 0.000 0.271 65 Q C -0.604 175.346 176.000 -0.082 0.000 1.064 65 Q CA -0.458 55.321 55.803 -0.039 0.000 0.800 65 Q CB 1.637 30.334 28.738 -0.068 0.000 1.304 65 Q HN 0.854 nan 8.270 nan 0.000 0.438 66 N N -0.590 118.049 118.700 -0.102 0.000 2.815 66 N HA -0.269 4.410 4.740 -0.102 0.000 0.247 66 N C -0.468 174.952 175.510 -0.150 0.000 1.030 66 N CA 0.518 53.487 53.050 -0.135 0.000 0.881 66 N CB -0.773 37.609 38.487 -0.174 0.000 1.134 66 N HN 0.650 nan 8.380 nan 0.000 0.582 67 A N 0.207 122.936 122.820 -0.152 0.000 2.498 67 A HA 0.529 4.788 4.320 -0.102 0.000 0.239 67 A C 1.393 178.877 177.584 -0.168 0.000 1.068 67 A CA 0.810 52.751 52.037 -0.159 0.000 0.766 67 A CB 0.416 19.321 19.000 -0.159 0.000 1.003 67 A HN 0.448 nan 8.150 nan 0.000 0.497 68 G N 0.961 109.676 108.800 -0.142 0.000 3.443 68 G HA2 0.105 4.004 3.960 -0.102 0.000 0.252 68 G HA3 0.105 4.004 3.960 -0.102 0.000 0.252 68 G C 0.249 175.088 174.900 -0.102 0.000 1.015 68 G CA -0.203 44.824 45.100 -0.122 0.000 0.891 68 G HN 0.714 nan 8.290 nan 0.000 0.510 69 N N 0.777 119.417 118.700 -0.099 0.000 2.400 69 N HA 0.427 5.106 4.740 -0.102 0.000 0.288 69 N C 1.371 176.846 175.510 -0.059 0.000 1.024 69 N CA 0.148 53.153 53.050 -0.075 0.000 0.894 69 N CB 1.929 40.370 38.487 -0.077 0.000 1.173 69 N HN -0.053 nan 8.380 nan 0.000 0.487 70 A N 3.622 126.419 122.820 -0.039 0.000 1.933 70 A HA -0.180 4.079 4.320 -0.102 0.000 0.218 70 A C 1.329 178.918 177.584 0.008 0.000 1.175 70 A CA 1.728 53.757 52.037 -0.014 0.000 0.628 70 A CB -0.336 18.660 19.000 -0.007 0.000 0.814 70 A HN 0.806 nan 8.150 nan 0.000 0.444 71 D N 0.336 120.734 120.400 -0.003 0.000 2.178 71 D HA 0.221 4.800 4.640 -0.102 0.000 0.202 71 D C 1.295 177.605 176.300 0.017 0.000 0.974 71 D CA 1.014 55.019 54.000 0.008 0.000 0.841 71 D CB -0.240 40.556 40.800 -0.007 0.000 0.953 71 D HN 0.548 nan 8.370 nan 0.000 0.478 81 A N 0.300 123.218 122.820 0.164 0.000 1.917 81 A HA -0.201 4.058 4.320 -0.102 0.000 0.219 81 A C 2.205 179.872 177.584 0.137 0.000 1.182 81 A CA 2.789 54.907 52.037 0.135 0.000 0.633 81 A CB -0.688 18.361 19.000 0.082 0.000 0.819 81 A HN 0.519 nan 8.150 nan 0.000 0.448 82 S N 0.177 115.957 115.700 0.133 0.000 2.368 82 S HA -0.095 4.314 4.470 -0.102 0.000 0.225 82 S C 1.834 176.555 174.600 0.201 0.000 1.030 82 S CA 1.419 59.705 58.200 0.143 0.000 0.999 82 S CB -0.580 62.691 63.200 0.118 0.000 0.844 82 S HN 0.476 nan 8.310 nan 0.000 0.459 83 L N 1.151 122.521 121.223 0.244 0.000 2.012 83 L HA -0.146 4.133 4.340 -0.102 0.000 0.210 83 L C 2.702 179.730 176.870 0.263 0.000 1.073 83 L CA 1.137 56.166 54.840 0.316 0.000 0.748 83 L CB -0.485 41.843 42.059 0.449 0.000 0.891 83 L HN 0.169 nan 8.230 nan 0.000 0.431 84 K N -0.090 120.410 120.400 0.167 0.000 2.001 84 K HA -0.258 4.001 4.320 -0.102 0.000 0.214 84 K C 1.829 178.454 176.600 0.042 0.000 1.050 84 K CA 1.715 57.980 56.287 -0.037 0.000 0.934 84 K CB -0.815 31.649 32.500 -0.061 0.000 0.718 84 K HN 0.227 nan 8.250 nan 0.000 0.443 85 D N -0.012 120.445 120.400 0.095 0.000 2.149 85 D HA -0.188 4.391 4.640 -0.102 0.000 0.194 85 D C 1.652 178.034 176.300 0.136 0.000 1.001 85 D CA 0.831 54.891 54.000 0.101 0.000 0.849 85 D CB -0.180 40.691 40.800 0.117 0.000 0.939 85 D HN 0.137 nan 8.370 nan 0.000 0.449 86 F N -0.283 119.684 119.950 0.028 0.000 2.748 86 F HA 0.179 4.643 4.527 -0.104 0.000 0.299 86 F C 1.505 177.315 175.800 0.016 0.000 1.154 86 F CA 1.220 59.234 58.000 0.023 0.000 1.446 86 F CB 0.309 39.330 39.000 0.034 0.000 1.112 86 F HN 0.090 nan 8.300 nan 0.000 0.584 87 G N 0.987 109.811 108.800 0.041 0.000 2.165 87 G HA2 -0.184 3.715 3.960 -0.102 0.000 0.226 87 G HA3 -0.184 3.715 3.960 -0.102 0.000 0.226 87 G C -0.500 174.430 174.900 0.050 0.000 1.035 87 G CA 0.084 45.167 45.100 -0.028 0.000 0.744 87 G HN 0.255 nan 8.290 nan 0.000 0.501 88 V N 0.102 120.095 119.914 0.131 0.000 2.370 88 V HA 0.456 4.515 4.120 -0.102 0.000 0.283 88 V C 0.733 176.824 176.094 -0.005 0.000 1.023 88 V CA 0.013 62.421 62.300 0.181 0.000 0.857 88 V CB 1.482 33.498 31.823 0.322 0.000 0.985 88 V HN 0.404 nan 8.190 nan 0.000 0.443 89 N N 2.475 121.209 118.700 0.057 0.000 2.159 89 N HA 0.200 4.879 4.740 -0.102 0.000 0.217 89 N C -0.738 174.805 175.510 0.055 0.000 1.223 89 N CA -0.229 52.708 53.050 -0.190 0.000 0.896 89 N CB 0.633 39.081 38.487 -0.066 0.000 1.064 89 N HN 0.600 nan 8.380 nan 0.000 0.518 90 W N 1.017 122.432 121.300 0.191 0.000 2.761 90 W HA 0.662 5.271 4.660 -0.085 0.000 0.340 90 W C -0.690 176.038 176.519 0.347 0.000 1.072 90 W CA -0.707 56.798 57.345 0.266 0.000 1.215 90 W CB 1.215 30.762 29.460 0.146 0.000 1.420 90 W HN -0.281 nan 8.180 nan 0.000 0.519 91 I N 1.850 122.674 120.570 0.423 0.000 2.722 91 I HA 0.561 4.670 4.170 -0.102 0.000 0.295 91 I C -1.497 174.704 176.117 0.140 0.000 1.161 91 I CA -0.989 60.428 61.300 0.194 0.000 1.032 91 I CB 1.656 39.601 38.000 -0.092 0.000 1.244 91 I HN 0.071 nan 8.210 nan 0.000 0.421 92 V N 7.503 127.472 119.914 0.093 0.000 2.435 92 V HA 0.555 4.614 4.120 -0.102 0.000 0.290 92 V C -0.233 175.870 176.094 0.015 0.000 1.030 92 V CA -0.406 61.938 62.300 0.073 0.000 0.881 92 V CB 1.396 33.265 31.823 0.077 0.000 0.983 92 V HN 0.498 nan 8.190 nan 0.000 0.445 93 L N 2.894 124.126 121.223 0.015 0.000 2.371 93 L HA 0.792 5.071 4.340 -0.102 0.000 0.262 93 L C 1.038 177.916 176.870 0.014 0.000 1.006 93 L CA -0.262 54.569 54.840 -0.015 0.000 0.818 93 L CB 2.108 44.134 42.059 -0.056 0.000 1.354 93 L HN 0.810 nan 8.230 nan 0.000 0.415 94 G N -0.313 108.490 108.800 0.004 0.000 2.162 94 G HA2 -0.269 3.630 3.960 -0.102 0.000 0.260 94 G HA3 -0.269 3.630 3.960 -0.102 0.000 0.260 94 G C 0.391 175.311 174.900 0.034 0.000 0.976 94 G CA 0.255 45.360 45.100 0.008 0.000 0.655 94 G HN 0.778 nan 8.290 nan 0.000 0.533 95 H N 1.423 120.475 119.070 -0.030 0.000 3.016 95 H HA 0.180 4.673 4.556 -0.104 0.000 0.345 95 H C 2.236 177.559 175.328 -0.009 0.000 1.066 95 H CA 1.299 57.335 56.048 -0.020 0.000 1.390 95 H CB 0.819 30.568 29.762 -0.022 0.000 1.344 95 H HN 0.421 nan 8.280 nan 0.000 0.605 96 S N 3.373 118.909 115.700 -0.273 0.000 2.378 96 S HA -0.299 4.110 4.470 -0.102 0.000 0.229 96 S C 1.758 176.302 174.600 -0.093 0.000 1.052 96 S CA 1.576 59.764 58.200 -0.020 0.000 1.084 96 S CB -0.354 62.898 63.200 0.086 0.000 0.950 96 S HN 0.857 nan 8.310 nan 0.000 0.440 97 E N 2.260 122.350 120.200 -0.183 0.000 2.204 97 E HA -0.199 4.090 4.350 -0.102 0.000 0.195 97 E C 1.852 178.289 176.600 -0.271 0.000 0.990 97 E CA 0.843 56.799 56.400 -0.739 0.000 0.821 97 E CB -0.465 29.008 29.700 -0.379 0.000 0.750 97 E HN 0.426 nan 8.360 nan 0.000 0.477 98 R N 1.140 121.638 120.500 -0.003 0.000 2.096 98 R HA -0.020 4.259 4.340 -0.102 0.000 0.235 98 R C 2.467 178.792 176.300 0.041 0.000 1.127 98 R CA 1.553 57.697 56.100 0.074 0.000 0.968 98 R CB -0.742 29.556 30.300 -0.004 0.000 0.861 98 R HN 0.362 nan 8.270 nan 0.000 0.440 99 R N -0.120 120.374 120.500 -0.010 0.000 2.057 99 R HA 0.025 4.304 4.340 -0.102 0.000 0.224 99 R C 2.363 178.710 176.300 0.079 0.000 1.136 99 R CA 1.270 57.394 56.100 0.041 0.000 0.968 99 R CB -0.451 29.893 30.300 0.073 0.000 0.863 99 R HN 0.431 nan 8.270 nan 0.000 0.433 100 W N 0.048 121.398 121.300 0.083 0.000 2.658 100 W HA 0.009 4.607 4.660 -0.102 0.000 0.263 100 W C 1.051 177.613 176.519 0.071 0.000 1.274 100 W CA 0.214 57.597 57.345 0.063 0.000 1.343 100 W CB -0.372 29.122 29.460 0.056 0.000 1.106 100 W HN 0.063 nan 8.180 nan 0.000 0.615 101 Y N 0.420 120.411 120.300 -0.515 0.000 2.351 101 Y HA 0.058 4.546 4.550 -0.103 0.000 0.291 101 Y C 2.221 177.876 175.900 -0.409 0.000 1.153 101 Y CA 1.275 59.041 58.100 -0.557 0.000 1.193 101 Y CB -1.045 36.719 38.460 -1.160 0.000 1.187 101 Y HN -0.240 nan 8.280 nan 0.000 0.524 102 Y N 0.354 120.555 120.300 -0.165 0.000 2.561 102 Y HA 0.207 4.696 4.550 -0.101 0.000 0.291 102 Y C 1.958 177.775 175.900 -0.139 0.000 1.141 102 Y CA 0.860 58.869 58.100 -0.152 0.000 1.303 102 Y CB -0.225 38.199 38.460 -0.061 0.000 1.015 102 Y HN 0.360 nan 8.280 nan 0.000 0.547 103 G N 0.476 109.281 108.800 0.010 0.000 2.136 103 G HA2 -0.290 3.609 3.960 -0.102 0.000 0.242 103 G HA3 -0.290 3.609 3.960 -0.102 0.000 0.242 103 G C -0.192 174.716 174.900 0.014 0.000 0.989 103 G CA -0.130 44.970 45.100 -0.000 0.000 0.682 103 G HN 0.419 nan 8.290 nan 0.000 0.522 104 E N 2.156 122.371 120.200 0.026 0.000 2.383 104 E HA 0.324 4.613 4.350 -0.102 0.000 0.257 104 E C 1.430 178.036 176.600 0.010 0.000 1.079 104 E CA 0.614 57.018 56.400 0.006 0.000 0.934 104 E CB 0.352 30.049 29.700 -0.005 0.000 0.978 104 E HN 0.553 nan 8.360 nan 0.000 0.462 105 T N 1.022 115.578 114.554 0.003 0.000 2.754 105 T HA 0.064 4.352 4.350 -0.102 0.000 0.286 105 T C 1.173 175.875 174.700 0.002 0.000 0.997 105 T CA -0.771 61.334 62.100 0.007 0.000 0.982 105 T CB 0.674 69.544 68.868 0.004 0.000 1.027 105 T HN 0.238 nan 8.240 nan 0.000 0.529 106 N N 0.822 119.524 118.700 0.004 0.000 2.069 106 N HA -0.111 4.568 4.740 -0.102 0.000 0.191 106 N C 1.795 177.300 175.510 -0.008 0.000 1.031 106 N CA 1.543 54.592 53.050 -0.002 0.000 0.852 106 N CB -0.578 37.908 38.487 -0.002 0.000 1.018 106 N HN 0.692 nan 8.380 nan 0.000 0.423 107 E N 0.844 121.042 120.200 -0.004 0.000 2.031 107 E HA -0.009 4.280 4.350 -0.102 0.000 0.193 107 E C 2.160 178.750 176.600 -0.016 0.000 0.994 107 E CA 0.505 56.901 56.400 -0.006 0.000 0.800 107 E CB -0.365 29.334 29.700 -0.002 0.000 0.752 107 E HN 0.322 nan 8.360 nan 0.000 0.447 108 I N 0.329 120.889 120.570 -0.018 0.000 2.145 108 I HA -0.327 3.782 4.170 -0.102 0.000 0.244 108 I C 2.092 178.186 176.117 -0.038 0.000 1.075 108 I CA 1.065 62.348 61.300 -0.028 0.000 1.332 108 I CB -0.347 37.638 38.000 -0.025 0.000 1.033 108 I HN 0.026 nan 8.210 nan 0.000 0.410 109 V N 0.753 120.647 119.914 -0.033 0.000 2.427 109 V HA -0.251 3.808 4.120 -0.102 0.000 0.248 109 V C 2.634 178.697 176.094 -0.052 0.000 1.051 109 V CA 1.874 64.149 62.300 -0.042 0.000 1.048 109 V CB -0.934 30.871 31.823 -0.030 0.000 0.666 109 V HN 0.507 nan 8.190 nan 0.000 0.456 110 A N -0.032 122.763 122.820 -0.041 0.000 1.930 110 A HA -0.209 4.050 4.320 -0.102 0.000 0.217 110 A C 1.950 179.502 177.584 -0.052 0.000 1.175 110 A CA 1.831 53.841 52.037 -0.045 0.000 0.627 110 A CB -0.540 18.447 19.000 -0.022 0.000 0.815 110 A HN 0.526 nan 8.150 nan 0.000 0.443 111 D N -0.026 120.347 120.400 -0.045 0.000 2.144 111 D HA -0.108 4.471 4.640 -0.102 0.000 0.199 111 D C 1.891 178.151 176.300 -0.067 0.000 0.984 111 D CA 1.255 55.226 54.000 -0.048 0.000 0.834 111 D CB -0.230 40.546 40.800 -0.040 0.000 0.955 111 D HN 0.473 nan 8.370 nan 0.000 0.465 112 K N 0.328 120.682 120.400 -0.078 0.000 2.057 112 K HA -0.046 4.212 4.320 -0.102 0.000 0.206 112 K C 2.179 178.705 176.600 -0.124 0.000 1.050 112 K CA 0.489 56.714 56.287 -0.104 0.000 0.935 112 K CB -0.080 32.358 32.500 -0.104 0.000 0.715 112 K HN -0.005 nan 8.250 nan 0.000 0.439 113 V N 1.491 121.338 119.914 -0.113 0.000 2.295 113 V HA -0.272 3.787 4.120 -0.102 0.000 0.246 113 V C 2.376 178.393 176.094 -0.128 0.000 1.049 113 V CA 2.125 64.348 62.300 -0.129 0.000 1.024 113 V CB -0.664 31.077 31.823 -0.136 0.000 0.648 113 V HN 0.361 nan 8.190 nan 0.000 0.447 114 A N -0.184 122.573 122.820 -0.106 0.000 1.902 114 A HA -0.109 4.150 4.320 -0.102 0.000 0.217 114 A C 2.405 179.947 177.584 -0.069 0.000 1.181 114 A CA 2.094 54.079 52.037 -0.087 0.000 0.623 114 A CB -0.749 18.214 19.000 -0.062 0.000 0.818 114 A HN 0.577 nan 8.150 nan 0.000 0.443 115 A N -0.214 122.561 122.820 -0.075 0.000 1.898 115 A HA 0.191 4.450 4.320 -0.102 0.000 0.216 115 A C 2.493 180.038 177.584 -0.065 0.000 1.181 115 A CA 2.024 54.022 52.037 -0.065 0.000 0.620 115 A CB -0.944 18.008 19.000 -0.079 0.000 0.819 115 A HN 1.010 nan 8.150 nan 0.000 0.442 116 A N -0.585 122.161 122.820 -0.124 0.000 1.898 116 A HA 0.061 4.320 4.320 -0.102 0.000 0.216 116 A C 2.218 179.829 177.584 0.045 0.000 1.181 116 A CA 1.629 53.564 52.037 -0.169 0.000 0.620 116 A CB -0.891 17.909 19.000 -0.334 0.000 0.819 116 A HN 0.360 nan 8.150 nan 0.000 0.442 117 V N 0.051 119.953 119.914 -0.020 0.000 2.295 117 V HA -0.272 3.787 4.120 -0.102 0.000 0.246 117 V C 3.053 179.159 176.094 0.018 0.000 1.049 117 V CA 2.012 64.305 62.300 -0.013 0.000 1.024 117 V CB -1.297 30.476 31.823 -0.084 0.000 0.648 117 V HN 0.599 nan 8.190 nan 0.000 0.447 118 A N -0.607 122.218 122.820 0.008 0.000 2.019 118 A HA -0.186 4.073 4.320 -0.102 0.000 0.219 118 A C 2.332 179.948 177.584 0.054 0.000 1.164 118 A CA 2.117 54.165 52.037 0.018 0.000 0.644 118 A CB -0.513 18.490 19.000 0.005 0.000 0.805 118 A HN 0.516 nan 8.150 nan 0.000 0.449 119 S N -1.796 113.972 115.700 0.113 0.000 2.603 119 S HA 0.358 4.767 4.470 -0.102 0.000 0.220 119 S C 1.245 175.953 174.600 0.179 0.000 0.967 119 S CA 0.792 59.102 58.200 0.183 0.000 0.920 119 S CB 0.123 63.496 63.200 0.289 0.000 0.773 119 S HN 1.627 nan 8.310 nan 0.000 0.529 120 G N 0.914 109.796 108.800 0.137 0.000 2.131 120 G HA2 -0.201 3.698 3.960 -0.102 0.000 0.201 120 G HA3 -0.201 3.698 3.960 -0.102 0.000 0.201 120 G C -0.178 174.657 174.900 -0.108 0.000 1.000 120 G CA -0.691 44.402 45.100 -0.012 0.000 0.680 120 G HN 0.359 nan 8.290 nan 0.000 0.514 121 F N 0.789 120.683 119.950 -0.093 0.000 2.379 121 F HA 0.703 5.168 4.527 -0.105 0.000 0.332 121 F C 1.172 176.814 175.800 -0.263 0.000 1.096 121 F CA -0.920 56.996 58.000 -0.140 0.000 1.105 121 F CB 0.942 39.887 39.000 -0.092 0.000 1.189 121 F HN -0.074 nan 8.300 nan 0.000 0.515 122 M N 3.097 122.509 119.600 -0.313 0.000 2.200 122 M HA 0.224 4.643 4.480 -0.102 0.000 0.355 122 M C -0.722 175.364 176.300 -0.357 0.000 1.283 122 M CA -0.167 54.749 55.300 -0.640 0.000 1.124 122 M CB 0.650 32.190 32.600 -1.767 0.000 1.625 122 M HN 0.164 nan 8.290 nan 0.000 0.463 123 V N 5.810 125.577 119.914 -0.244 0.000 2.409 123 V HA 0.435 4.494 4.120 -0.102 0.000 0.291 123 V C 0.056 176.134 176.094 -0.027 0.000 1.020 123 V CA -0.652 61.592 62.300 -0.093 0.000 0.848 123 V CB 1.707 33.463 31.823 -0.112 0.000 0.990 123 V HN 0.669 nan 8.190 nan 0.000 0.430 124 I N 4.598 125.224 120.570 0.092 0.000 2.291 124 I HA 0.543 4.652 4.170 -0.102 0.000 0.292 124 I C 0.634 176.788 176.117 0.062 0.000 1.064 124 I CA 0.004 61.378 61.300 0.122 0.000 1.269 124 I CB 1.141 39.268 38.000 0.212 0.000 1.418 124 I HN 0.683 nan 8.210 nan 0.000 0.485 125 A N 6.444 129.280 122.820 0.027 0.000 2.260 125 A HA 0.543 4.802 4.320 -0.102 0.000 0.314 125 A C -0.423 177.174 177.584 0.021 0.000 1.257 125 A CA -0.409 51.630 52.037 0.002 0.000 0.871 125 A CB 0.404 19.378 19.000 -0.043 0.000 1.166 125 A HN 0.777 nan 8.150 nan 0.000 0.522 126 C N 3.564 122.875 119.300 0.018 0.000 2.369 126 C HA 0.715 5.114 4.460 -0.102 0.000 0.358 126 C C 0.434 175.411 174.990 -0.021 0.000 1.274 126 C CA -0.393 58.624 59.018 -0.001 0.000 1.935 126 C CB -1.075 26.664 27.740 -0.003 0.000 2.431 126 C HN 0.752 nan 8.230 nan 0.000 0.545 127 I N 0.680 121.236 120.570 -0.023 0.000 3.074 127 I HA 1.033 5.142 4.170 -0.102 0.000 0.310 127 I C -0.191 175.912 176.117 -0.024 0.000 1.153 127 I CA -0.512 60.786 61.300 -0.002 0.000 0.993 127 I CB 2.343 40.363 38.000 0.033 0.000 1.237 127 I HN 0.806 nan 8.210 nan 0.000 0.443 128 G N 2.276 111.082 108.800 0.010 0.000 2.376 128 G HA2 0.363 4.262 3.960 -0.102 0.000 0.302 128 G HA3 0.363 4.262 3.960 -0.102 0.000 0.302 128 G C -1.879 173.047 174.900 0.043 0.000 1.586 128 G CA -0.631 44.446 45.100 -0.038 0.000 0.907 128 G HN 0.994 nan 8.290 nan 0.000 0.655 129 E N -0.125 120.152 120.200 0.130 0.000 2.232 129 E HA 0.723 5.012 4.350 -0.102 0.000 0.265 129 E C 0.493 177.212 176.600 0.198 0.000 1.001 129 E CA -0.168 56.335 56.400 0.173 0.000 0.870 129 E CB 1.248 31.085 29.700 0.229 0.000 1.175 129 E HN 0.892 nan 8.360 nan 0.000 0.407 130 T N -1.022 113.644 114.554 0.187 0.000 2.824 130 T HA 0.169 4.457 4.350 -0.102 0.000 0.277 130 T C 1.341 176.223 174.700 0.302 0.000 0.975 130 T CA -0.474 61.748 62.100 0.203 0.000 0.966 130 T CB 0.636 69.556 68.868 0.088 0.000 1.054 130 T HN 0.389 nan 8.240 nan 0.000 0.533 131 L N 0.732 122.105 121.223 0.251 0.000 1.997 131 L HA -0.111 4.167 4.340 -0.102 0.000 0.216 131 L C 2.759 179.620 176.870 -0.016 0.000 1.074 131 L CA 2.061 56.941 54.840 0.067 0.000 0.763 131 L CB -1.247 40.830 42.059 0.031 0.000 0.890 131 L HN 0.765 nan 8.230 nan 0.000 0.434 132 Q N -0.057 119.749 119.800 0.010 0.000 2.030 132 Q HA -0.221 4.058 4.340 -0.102 0.000 0.204 132 Q C 2.198 178.204 176.000 0.010 0.000 0.986 132 Q CA 2.226 58.028 55.803 -0.002 0.000 0.843 132 Q CB -0.333 28.408 28.738 0.005 0.000 0.904 132 Q HN 0.632 nan 8.270 nan 0.000 0.420 133 E N -0.377 119.850 120.200 0.045 0.000 2.097 133 E HA -0.264 4.025 4.350 -0.102 0.000 0.196 133 E C 2.056 178.691 176.600 0.058 0.000 1.000 133 E CA 1.263 57.699 56.400 0.060 0.000 0.804 133 E CB -0.150 29.605 29.700 0.091 0.000 0.740 133 E HN 0.114 nan 8.360 nan 0.000 0.454 134 R N 1.337 121.877 120.500 0.066 0.000 2.083 134 R HA -0.175 4.104 4.340 -0.102 0.000 0.237 134 R C 1.857 178.127 176.300 -0.049 0.000 1.137 134 R CA 1.820 57.932 56.100 0.021 0.000 0.951 134 R CB -0.024 30.218 30.300 -0.096 0.000 0.851 134 R HN 0.172 nan 8.270 nan 0.000 0.434 135 E N -0.525 119.627 120.200 -0.080 0.000 2.152 135 E HA -0.083 4.206 4.350 -0.102 0.000 0.192 135 E C 1.272 177.847 176.600 -0.042 0.000 0.983 135 E CA 1.280 57.631 56.400 -0.082 0.000 0.818 135 E CB 0.112 29.758 29.700 -0.090 0.000 0.758 135 E HN 0.453 nan 8.360 nan 0.000 0.467 136 S N -0.475 115.212 115.700 -0.022 0.000 2.671 136 S HA 0.217 4.625 4.470 -0.102 0.000 0.220 136 S C 1.393 175.993 174.600 0.001 0.000 0.951 136 S CA 0.142 58.337 58.200 -0.009 0.000 0.932 136 S CB 0.327 63.526 63.200 -0.001 0.000 0.777 136 S HN 0.321 nan 8.310 nan 0.000 0.508 137 G N 2.100 110.901 108.800 0.002 0.000 2.198 137 G HA2 -0.292 3.607 3.960 -0.102 0.000 0.260 137 G HA3 -0.292 3.607 3.960 -0.102 0.000 0.260 137 G C 0.536 175.450 174.900 0.024 0.000 1.025 137 G CA 0.312 45.419 45.100 0.012 0.000 0.769 137 G HN 0.604 nan 8.290 nan 0.000 0.507 138 R N -0.496 120.024 120.500 0.033 0.000 2.507 138 R HA 0.206 4.485 4.340 -0.102 0.000 0.298 138 R C 2.028 178.364 176.300 0.059 0.000 0.999 138 R CA 0.444 56.568 56.100 0.040 0.000 1.082 138 R CB 0.012 30.333 30.300 0.035 0.000 1.246 138 R HN 0.297 nan 8.270 nan 0.000 0.553 139 T N 1.607 116.208 114.554 0.079 0.000 2.635 139 T HA -0.259 4.030 4.350 -0.102 0.000 0.267 139 T C 2.065 176.810 174.700 0.074 0.000 1.040 139 T CA 2.058 64.228 62.100 0.117 0.000 1.156 139 T CB -0.091 68.866 68.868 0.149 0.000 0.863 139 T HN 0.431 nan 8.240 nan 0.000 0.430 140 A N 0.664 123.509 122.820 0.042 0.000 1.858 140 A HA -0.050 4.209 4.320 -0.102 0.000 0.216 140 A C 2.597 180.177 177.584 -0.006 0.000 1.190 140 A CA 1.749 53.794 52.037 0.013 0.000 0.617 140 A CB -1.256 17.755 19.000 0.018 0.000 0.827 140 A HN 0.352 nan 8.150 nan 0.000 0.443 141 V N -0.216 119.703 119.914 0.008 0.000 2.343 141 V HA -0.202 3.857 4.120 -0.102 0.000 0.247 141 V C 2.394 178.481 176.094 -0.012 0.000 1.051 141 V CA 2.502 64.802 62.300 -0.001 0.000 1.036 141 V CB -0.478 31.354 31.823 0.015 0.000 0.654 141 V HN 0.317 nan 8.190 nan 0.000 0.451 142 V N -0.237 119.684 119.914 0.013 0.000 2.237 142 V HA -0.216 3.843 4.120 -0.102 0.000 0.245 142 V C 2.513 178.606 176.094 -0.002 0.000 1.046 142 V CA 2.308 64.621 62.300 0.021 0.000 1.007 142 V CB -0.534 31.325 31.823 0.059 0.000 0.638 142 V HN 0.451 nan 8.190 nan 0.000 0.445 143 V N -0.264 119.656 119.914 0.010 0.000 2.407 143 V HA -0.214 3.845 4.120 -0.102 0.000 0.248 143 V C 2.199 178.208 176.094 -0.142 0.000 1.055 143 V CA 1.827 64.123 62.300 -0.007 0.000 1.049 143 V CB -0.481 31.375 31.823 0.056 0.000 0.662 143 V HN 0.453 nan 8.190 nan 0.000 0.455 144 L N -0.645 120.450 121.223 -0.213 0.000 2.313 144 L HA -0.078 4.201 4.340 -0.102 0.000 0.214 144 L C 2.465 179.071 176.870 -0.441 0.000 1.119 144 L CA 1.236 55.792 54.840 -0.475 0.000 0.809 144 L CB -0.784 40.995 42.059 -0.467 0.000 0.933 144 L HN 0.350 nan 8.230 nan 0.000 0.449 145 T N -1.037 113.392 114.554 -0.208 0.000 2.809 145 T HA -0.155 4.134 4.350 -0.102 0.000 0.260 145 T C 1.862 176.494 174.700 -0.112 0.000 1.039 145 T CA 0.933 62.958 62.100 -0.124 0.000 1.141 145 T CB -0.105 68.735 68.868 -0.048 0.000 0.869 145 T HN 0.318 nan 8.240 nan 0.000 0.437 146 Q N 0.260 120.004 119.800 -0.093 0.000 2.133 146 Q HA -0.118 4.161 4.340 -0.102 0.000 0.208 146 Q C 2.259 178.205 176.000 -0.090 0.000 0.991 146 Q CA 1.531 57.294 55.803 -0.066 0.000 0.867 146 Q CB -0.293 28.423 28.738 -0.036 0.000 0.911 146 Q HN 0.493 nan 8.270 nan 0.000 0.417 147 I N -0.550 119.912 120.570 -0.180 0.000 2.703 147 I HA -0.071 4.038 4.170 -0.102 0.000 0.259 147 I C 1.972 177.986 176.117 -0.172 0.000 1.151 147 I CA 0.482 61.679 61.300 -0.172 0.000 1.470 147 I CB -0.022 37.855 38.000 -0.205 0.000 1.112 147 I HN 0.117 nan 8.210 nan 0.000 0.437 148 A N 0.939 123.549 122.820 -0.350 0.000 1.972 148 A HA -0.164 4.094 4.320 -0.102 0.000 0.219 148 A C 2.447 180.097 177.584 0.111 0.000 1.169 148 A CA 1.651 53.687 52.037 -0.002 0.000 0.635 148 A CB -0.823 18.197 19.000 0.034 0.000 0.810 148 A HN 0.531 nan 8.150 nan 0.000 0.446 149 A N 0.127 122.963 122.820 0.026 0.000 1.908 149 A HA -0.113 4.146 4.320 -0.102 0.000 0.218 149 A C 2.116 179.727 177.584 0.045 0.000 1.181 149 A CA 1.587 53.645 52.037 0.036 0.000 0.627 149 A CB -0.589 18.414 19.000 0.005 0.000 0.818 149 A HN 0.519 nan 8.150 nan 0.000 0.445 150 I N -0.384 120.207 120.570 0.034 0.000 2.202 150 I HA -0.246 3.863 4.170 -0.102 0.000 0.242 150 I C 2.907 179.061 176.117 0.061 0.000 1.091 150 I CA 1.107 62.412 61.300 0.009 0.000 1.368 150 I CB -0.402 37.574 38.000 -0.040 0.000 1.058 150 I HN 0.347 nan 8.210 nan 0.000 0.410 151 A N 0.502 123.468 122.820 0.243 0.000 2.067 151 A HA -0.220 4.039 4.320 -0.102 0.000 0.219 151 A C 2.345 180.099 177.584 0.283 0.000 1.158 151 A CA 1.382 53.680 52.037 0.435 0.000 0.661 151 A CB -0.497 18.975 19.000 0.787 0.000 0.801 151 A HN 0.354 nan 8.150 nan 0.000 0.452 152 K N -0.443 120.077 120.400 0.200 0.000 2.283 152 K HA -0.092 4.167 4.320 -0.102 0.000 0.202 152 K C 0.769 177.422 176.600 0.088 0.000 1.048 152 K CA 1.028 57.397 56.287 0.136 0.000 0.948 152 K CB 0.046 32.611 32.500 0.108 0.000 0.742 152 K HN 0.151 nan 8.250 nan 0.000 0.458 153 K N 0.484 120.921 120.400 0.062 0.000 2.397 153 K HA 0.231 4.490 4.320 -0.102 0.000 0.202 153 K C -0.112 176.491 176.600 0.005 0.000 1.022 153 K CA 0.099 56.399 56.287 0.022 0.000 1.141 153 K CB 0.522 33.018 32.500 -0.006 0.000 0.857 153 K HN 0.142 nan 8.250 nan 0.000 0.514 154 L N 0.792 122.035 121.223 0.034 0.000 2.350 154 L HA 0.442 4.720 4.340 -0.102 0.000 0.260 154 L C -0.257 176.679 176.870 0.109 0.000 1.015 154 L CA -1.159 53.684 54.840 0.006 0.000 0.821 154 L CB 1.765 43.742 42.059 -0.137 0.000 1.370 154 L HN -0.261 nan 8.230 nan 0.000 0.416 155 K N 0.627 121.087 120.400 0.101 0.000 2.185 155 K HA 0.303 4.562 4.320 -0.102 0.000 0.240 155 K C 0.337 177.095 176.600 0.263 0.000 0.983 155 K CA -0.800 55.575 56.287 0.147 0.000 0.873 155 K CB 1.793 34.343 32.500 0.084 0.000 1.118 155 K HN 0.418 nan 8.250 nan 0.000 0.441 156 K N 1.302 121.837 120.400 0.224 0.000 2.034 156 K HA -0.242 4.017 4.320 -0.102 0.000 0.214 156 K C 1.681 178.452 176.600 0.284 0.000 1.051 156 K CA 2.205 58.636 56.287 0.240 0.000 0.931 156 K CB -0.350 32.196 32.500 0.077 0.000 0.715 156 K HN 0.615 nan 8.250 nan 0.000 0.446 157 A N 1.091 124.008 122.820 0.162 0.000 2.024 157 A HA -0.206 4.053 4.320 -0.102 0.000 0.220 157 A C 1.595 179.250 177.584 0.119 0.000 1.164 157 A CA 2.071 54.178 52.037 0.117 0.000 0.643 157 A CB -0.615 18.424 19.000 0.066 0.000 0.806 157 A HN 0.493 nan 8.150 nan 0.000 0.451 158 D N -1.497 118.971 120.400 0.114 0.000 2.264 158 D HA -0.131 4.448 4.640 -0.102 0.000 0.208 158 D C 1.314 177.583 176.300 -0.052 0.000 0.966 158 D CA 0.718 54.711 54.000 -0.011 0.000 0.864 158 D CB -0.297 40.441 40.800 -0.103 0.000 0.933 158 D HN 0.766 nan 8.370 nan 0.000 0.499 159 W N 1.482 122.784 121.300 0.003 0.000 2.595 159 W HA 0.103 4.783 4.660 0.034 0.000 0.257 159 W C 2.371 178.888 176.519 -0.003 0.000 1.267 159 W CA 0.584 57.934 57.345 0.008 0.000 1.300 159 W CB -0.283 29.189 29.460 0.020 0.000 1.120 159 W HN -0.086 nan 8.180 nan 0.000 0.618 160 A N 0.108 123.031 122.820 0.172 0.000 2.070 160 A HA -0.140 4.119 4.320 -0.102 0.000 0.220 160 A C 1.856 179.441 177.584 0.001 0.000 1.159 160 A CA 1.248 53.335 52.037 0.085 0.000 0.656 160 A CB -0.266 18.771 19.000 0.061 0.000 0.800 160 A HN 0.015 nan 8.150 nan 0.000 0.453 161 K N -0.546 119.823 120.400 -0.051 0.000 2.358 161 K HA 0.286 4.545 4.320 -0.102 0.000 0.197 161 K C -0.360 176.127 176.600 -0.187 0.000 1.025 161 K CA 0.145 56.346 56.287 -0.143 0.000 1.104 161 K CB 0.458 32.878 32.500 -0.133 0.000 0.855 161 K HN 0.277 nan 8.250 nan 0.000 0.531 162 V N 1.462 121.298 119.914 -0.130 0.000 2.513 162 V HA 0.383 4.442 4.120 -0.102 0.000 0.299 162 V C -0.218 175.871 176.094 -0.008 0.000 1.035 162 V CA -0.914 61.299 62.300 -0.144 0.000 0.889 162 V CB 2.274 33.892 31.823 -0.343 0.000 0.988 162 V HN -0.241 nan 8.190 nan 0.000 0.440 163 V N 5.286 125.204 119.914 0.007 0.000 2.709 163 V HA 0.525 4.584 4.120 -0.102 0.000 0.308 163 V C -0.664 175.485 176.094 0.092 0.000 1.062 163 V CA -0.575 61.784 62.300 0.097 0.000 0.901 163 V CB 2.160 34.079 31.823 0.160 0.000 1.003 163 V HN 0.588 nan 8.190 nan 0.000 0.425 164 I N 3.568 124.209 120.570 0.117 0.000 2.354 164 I HA 0.642 4.751 4.170 -0.102 0.000 0.292 164 I C 0.417 176.577 176.117 0.073 0.000 0.989 164 I CA -0.401 60.954 61.300 0.092 0.000 1.188 164 I CB 1.600 39.671 38.000 0.118 0.000 1.342 164 I HN 0.724 nan 8.210 nan 0.000 0.457 165 A N 6.921 129.778 122.820 0.061 0.000 2.258 165 A HA 0.370 4.629 4.320 -0.102 0.000 0.316 165 A C -0.986 176.611 177.584 0.023 0.000 1.279 165 A CA -0.492 51.575 52.037 0.049 0.000 0.876 165 A CB 0.260 19.294 19.000 0.056 0.000 1.170 165 A HN 0.564 nan 8.150 nan 0.000 0.520 166 Y N 2.377 122.614 120.300 -0.105 0.000 2.486 166 Y HA 0.352 4.838 4.550 -0.107 0.000 0.348 166 Y C -0.005 175.838 175.900 -0.095 0.000 1.000 166 Y CA -0.003 58.047 58.100 -0.085 0.000 1.253 166 Y CB 0.489 38.888 38.460 -0.102 0.000 1.140 166 Y HN 0.652 nan 8.280 nan 0.000 0.526 167 E N 9.198 128.989 120.200 -0.682 0.000 2.331 167 E HA 0.252 4.541 4.350 -0.102 0.000 0.243 167 E C -2.728 173.395 176.600 -0.795 0.000 0.925 167 E CA -2.224 53.748 56.400 -0.713 0.000 0.760 167 E CB 1.306 30.731 29.700 -0.459 0.000 1.254 167 E HN 0.478 nan 8.360 nan 0.000 0.419 168 P HA 0.001 nan 4.420 nan 0.000 0.276 168 P C 1.020 177.830 177.300 -0.815 0.000 1.243 168 P CA -0.125 62.409 63.100 -0.944 0.000 0.768 168 P CB 1.095 31.935 31.700 -1.433 0.000 0.856 169 V N 3.827 123.466 119.914 -0.457 0.000 2.490 169 V HA -0.189 3.870 4.120 -0.102 0.000 0.250 169 V C 1.914 177.895 176.094 -0.189 0.000 1.061 169 V CA 1.644 63.806 62.300 -0.230 0.000 1.064 169 V CB -1.341 30.446 31.823 -0.061 0.000 0.670 169 V HN 0.718 nan 8.190 nan 0.000 0.461 170 W N 0.564 121.837 121.300 -0.045 0.000 2.699 170 W HA 0.189 4.788 4.660 -0.101 0.000 0.249 170 W C 1.843 178.364 176.519 0.003 0.000 1.280 170 W CA 0.789 58.117 57.345 -0.028 0.000 1.345 170 W CB -0.691 28.763 29.460 -0.011 0.000 1.128 170 W HN 0.304 nan 8.180 nan 0.000 0.642 171 A N 0.977 123.497 122.820 -0.500 0.000 2.169 171 A HA 0.228 4.487 4.320 -0.102 0.000 0.210 171 A C 0.947 178.425 177.584 -0.176 0.000 1.168 171 A CA -0.195 51.642 52.037 -0.333 0.000 0.813 171 A CB -0.499 18.131 19.000 -0.617 0.000 0.861 171 A HN 0.164 nan 8.150 nan 0.000 0.481 172 I N 1.013 121.469 120.570 -0.190 0.000 2.494 172 I HA 0.260 4.369 4.170 -0.102 0.000 0.289 172 I C 1.533 177.654 176.117 0.008 0.000 1.106 172 I CA 0.892 62.144 61.300 -0.081 0.000 1.369 172 I CB 0.160 38.118 38.000 -0.071 0.000 1.410 172 I HN 0.428 nan 8.210 nan 0.000 0.523 173 G N 4.205 113.024 108.800 0.032 0.000 2.180 173 G HA2 -0.362 3.536 3.960 -0.102 0.000 0.263 173 G HA3 -0.362 3.536 3.960 -0.102 0.000 0.263 173 G C 0.838 175.769 174.900 0.052 0.000 0.989 173 G CA 0.926 46.059 45.100 0.054 0.000 0.692 173 G HN 0.712 nan 8.290 nan 0.000 0.526 174 T N -3.169 111.416 114.554 0.052 0.000 3.044 174 T HA 0.437 4.726 4.350 -0.102 0.000 0.250 174 T C 2.352 177.096 174.700 0.073 0.000 1.081 174 T CA 1.468 63.607 62.100 0.065 0.000 1.040 174 T CB 0.480 69.401 68.868 0.088 0.000 0.962 174 T HN 2.073 nan 8.240 nan 0.000 0.506 175 G N 1.023 109.868 108.800 0.074 0.000 2.176 175 G HA2 -0.245 3.654 3.960 -0.102 0.000 0.253 175 G HA3 -0.245 3.654 3.960 -0.102 0.000 0.253 175 G C -0.015 174.947 174.900 0.104 0.000 0.979 175 G CA 0.081 45.227 45.100 0.076 0.000 0.641 175 G HN 0.695 nan 8.290 nan 0.000 0.530 176 K N 0.860 121.345 120.400 0.141 0.000 2.292 176 K HA 0.643 4.902 4.320 -0.102 0.000 0.270 176 K C 0.028 176.770 176.600 0.236 0.000 1.062 176 K CA -0.473 55.943 56.287 0.215 0.000 0.916 176 K CB 1.498 34.189 32.500 0.318 0.000 1.166 176 K HN 0.285 nan 8.250 nan 0.000 0.458 177 V N 3.765 123.811 119.914 0.220 0.000 2.567 177 V HA 0.601 4.660 4.120 -0.102 0.000 0.289 177 V C -0.281 175.990 176.094 0.294 0.000 1.049 177 V CA -0.671 61.769 62.300 0.233 0.000 0.969 177 V CB 1.250 33.178 31.823 0.174 0.000 0.995 177 V HN 0.941 nan 8.190 nan 0.000 0.471 178 A N 4.869 127.866 122.820 0.294 0.000 2.567 178 A HA 0.383 4.642 4.320 -0.102 0.000 0.240 178 A C 0.835 178.469 177.584 0.084 0.000 1.053 178 A CA 0.650 52.854 52.037 0.278 0.000 0.755 178 A CB -0.373 18.727 19.000 0.166 0.000 0.978 178 A HN 1.387 nan 8.150 nan 0.000 0.507 179 T N 1.438 116.063 114.554 0.117 0.000 2.855 179 T HA 0.196 4.485 4.350 -0.102 0.000 0.322 179 T C -1.623 173.062 174.700 -0.026 0.000 1.088 179 T CA -0.426 61.699 62.100 0.041 0.000 1.104 179 T CB 0.070 68.967 68.868 0.048 0.000 0.996 179 T HN 0.405 nan 8.240 nan 0.000 0.549 180 P HA -0.123 nan 4.420 nan 0.000 0.216 180 P C 1.642 178.905 177.300 -0.062 0.000 1.150 180 P CA 1.072 64.128 63.100 -0.072 0.000 0.843 180 P CB 0.005 31.679 31.700 -0.043 0.000 0.787 181 Q N -0.315 119.472 119.800 -0.023 0.000 2.050 181 Q HA -0.180 4.098 4.340 -0.102 0.000 0.202 181 Q C 2.302 178.308 176.000 0.010 0.000 0.980 181 Q CA 1.695 57.493 55.803 -0.009 0.000 0.840 181 Q CB -1.121 27.620 28.738 0.005 0.000 0.898 181 Q HN 0.423 nan 8.270 nan 0.000 0.424 182 Q N -0.335 119.494 119.800 0.048 0.000 2.084 182 Q HA -0.063 4.216 4.340 -0.102 0.000 0.202 182 Q C 2.088 178.162 176.000 0.122 0.000 0.978 182 Q CA 1.276 57.150 55.803 0.118 0.000 0.844 182 Q CB -0.282 28.591 28.738 0.224 0.000 0.898 182 Q HN 0.423 nan 8.270 nan 0.000 0.426 183 A N 0.922 123.764 122.820 0.037 0.000 1.902 183 A HA -0.273 3.986 4.320 -0.102 0.000 0.217 183 A C 2.081 179.626 177.584 -0.065 0.000 1.181 183 A CA 1.757 53.789 52.037 -0.008 0.000 0.623 183 A CB -0.537 18.237 19.000 -0.378 0.000 0.818 183 A HN 0.264 nan 8.150 nan 0.000 0.443 184 Q N 0.169 119.901 119.800 -0.113 0.000 2.046 184 Q HA -0.178 4.101 4.340 -0.102 0.000 0.200 184 Q C 1.935 177.921 176.000 -0.022 0.000 0.975 184 Q CA 2.323 58.066 55.803 -0.100 0.000 0.836 184 Q CB -0.471 28.214 28.738 -0.089 0.000 0.896 184 Q HN 0.742 nan 8.270 nan 0.000 0.428 185 E N -0.800 119.395 120.200 -0.009 0.000 2.058 185 E HA -0.227 4.062 4.350 -0.102 0.000 0.194 185 E C 1.772 178.356 176.600 -0.026 0.000 0.997 185 E CA 1.189 57.587 56.400 -0.003 0.000 0.801 185 E CB -0.277 29.430 29.700 0.012 0.000 0.746 185 E HN 0.456 nan 8.360 nan 0.000 0.450 186 A N 0.899 123.676 122.820 -0.071 0.000 1.883 186 A HA -0.229 4.030 4.320 -0.102 0.000 0.217 186 A C 1.966 179.440 177.584 -0.183 0.000 1.186 186 A CA 1.775 53.642 52.037 -0.285 0.000 0.624 186 A CB -1.018 17.485 19.000 -0.828 0.000 0.822 186 A HN 0.440 nan 8.150 nan 0.000 0.444 187 H N -0.875 118.081 119.070 -0.189 0.000 2.353 187 H HA -0.061 4.437 4.556 -0.096 0.000 0.300 187 H C 2.604 177.905 175.328 -0.046 0.000 1.090 187 H CA 0.971 56.972 56.048 -0.078 0.000 1.327 187 H CB -0.088 29.663 29.762 -0.018 0.000 1.383 187 H HN 0.568 nan 8.280 nan 0.000 0.508 188 A N 1.403 124.272 122.820 0.082 0.000 1.908 188 A HA -0.179 4.080 4.320 -0.102 0.000 0.218 188 A C 2.472 180.076 177.584 0.033 0.000 1.181 188 A CA 1.545 53.606 52.037 0.040 0.000 0.627 188 A CB -0.804 18.206 19.000 0.018 0.000 0.818 188 A HN 0.372 nan 8.150 nan 0.000 0.445 189 L N -0.347 120.885 121.223 0.015 0.000 2.017 189 L HA -0.121 4.158 4.340 -0.102 0.000 0.208 189 L C 2.268 179.175 176.870 0.061 0.000 1.073 189 L CA 1.887 56.743 54.840 0.026 0.000 0.745 189 L CB -0.338 41.715 42.059 -0.010 0.000 0.894 189 L HN 0.410 nan 8.230 nan 0.000 0.432 190 I N -0.314 120.266 120.570 0.016 0.000 2.127 190 I HA -0.337 3.772 4.170 -0.102 0.000 0.241 190 I C 2.840 179.040 176.117 0.138 0.000 1.075 190 I CA 1.873 63.206 61.300 0.056 0.000 1.334 190 I CB -0.433 37.556 38.000 -0.017 0.000 1.040 190 I HN 0.283 nan 8.210 nan 0.000 0.405 191 R N 0.411 120.961 120.500 0.083 0.000 2.081 191 R HA -0.196 4.083 4.340 -0.102 0.000 0.235 191 R C 2.573 178.904 176.300 0.052 0.000 1.131 191 R CA 1.817 57.956 56.100 0.065 0.000 0.960 191 R CB -0.241 30.085 30.300 0.045 0.000 0.856 191 R HN 0.377 nan 8.270 nan 0.000 0.436 192 S N -0.553 115.184 115.700 0.062 0.000 2.382 192 S HA -0.197 4.212 4.470 -0.102 0.000 0.228 192 S C 1.694 176.332 174.600 0.064 0.000 1.027 192 S CA 1.131 59.356 58.200 0.043 0.000 0.991 192 S CB -0.421 62.803 63.200 0.042 0.000 0.823 192 S HN 0.616 nan 8.310 nan 0.000 0.469 193 W N 1.587 122.859 121.300 -0.046 0.000 2.358 193 W HA -0.082 4.493 4.660 -0.143 0.000 0.303 193 W C 2.088 178.553 176.519 -0.091 0.000 1.208 193 W CA 1.601 58.917 57.345 -0.049 0.000 1.274 193 W CB -0.483 28.962 29.460 -0.025 0.000 1.138 193 W HN 0.139 nan 8.180 nan 0.000 0.515 194 V N -0.272 119.702 119.914 0.100 0.000 2.358 194 V HA -0.307 3.752 4.120 -0.102 0.000 0.246 194 V C 2.433 178.333 176.094 -0.324 0.000 1.047 194 V CA 2.131 64.316 62.300 -0.190 0.000 1.035 194 V CB -1.280 30.457 31.823 -0.143 0.000 0.658 194 V HN 0.288 nan 8.190 nan 0.000 0.452 195 S N -0.752 114.831 115.700 -0.195 0.000 2.370 195 S HA -0.225 4.184 4.470 -0.102 0.000 0.226 195 S C 2.285 176.751 174.600 -0.223 0.000 1.033 195 S CA 2.169 60.261 58.200 -0.180 0.000 1.011 195 S CB -0.267 62.870 63.200 -0.105 0.000 0.852 195 S HN 0.566 nan 8.310 nan 0.000 0.457 196 S N 0.033 115.576 115.700 -0.262 0.000 2.357 196 S HA 0.062 4.471 4.470 -0.102 0.000 0.221 196 S C 1.844 176.214 174.600 -0.384 0.000 1.031 196 S CA 1.175 59.203 58.200 -0.287 0.000 0.982 196 S CB -0.154 62.883 63.200 -0.272 0.000 0.853 196 S HN 0.374 nan 8.310 nan 0.000 0.458 197 K N 0.440 120.469 120.400 -0.618 0.000 2.242 197 K HA 0.317 4.576 4.320 -0.102 0.000 0.200 197 K C 1.493 177.795 176.600 -0.498 0.000 1.050 197 K CA 0.540 56.414 56.287 -0.688 0.000 0.981 197 K CB 0.105 31.789 32.500 -1.360 0.000 0.795 197 K HN 0.295 nan 8.250 nan 0.000 0.477 198 I N -2.047 118.217 120.570 -0.509 0.000 3.443 198 I HA 0.325 4.434 4.170 -0.102 0.000 0.277 198 I C 0.788 176.709 176.117 -0.327 0.000 1.169 198 I CA 0.429 61.462 61.300 -0.445 0.000 1.419 198 I CB -0.149 37.398 38.000 -0.755 0.000 1.331 198 I HN 0.066 nan 8.210 nan 0.000 0.458 199 G N 0.226 108.839 108.800 -0.311 0.000 2.352 199 G HA2 0.351 4.250 3.960 -0.102 0.000 0.305 199 G HA3 0.351 4.250 3.960 -0.102 0.000 0.305 199 G C 0.047 174.837 174.900 -0.182 0.000 1.537 199 G CA -0.128 44.848 45.100 -0.208 0.000 0.959 199 G HN 0.150 nan 8.290 nan 0.000 0.668 200 A N 0.052 122.796 122.820 -0.127 0.000 2.016 200 A HA 0.173 4.432 4.320 -0.102 0.000 0.217 200 A C 2.031 179.569 177.584 -0.076 0.000 1.162 200 A CA 2.244 54.223 52.037 -0.097 0.000 0.662 200 A CB -0.374 18.582 19.000 -0.074 0.000 0.812 200 A HN 0.942 nan 8.150 nan 0.000 0.450 201 D N 0.283 120.640 120.400 -0.072 0.000 2.117 201 D HA -0.128 4.451 4.640 -0.102 0.000 0.197 201 D C 1.713 177.985 176.300 -0.047 0.000 0.987 201 D CA 1.608 55.579 54.000 -0.047 0.000 0.829 201 D CB -1.017 39.761 40.800 -0.037 0.000 0.961 201 D HN 0.209 nan 8.370 nan 0.000 0.460 202 V N 1.272 121.133 119.914 -0.088 0.000 2.307 202 V HA -0.141 3.918 4.120 -0.102 0.000 0.245 202 V C 2.827 178.867 176.094 -0.091 0.000 1.045 202 V CA 1.779 64.018 62.300 -0.101 0.000 1.024 202 V CB -0.945 30.723 31.823 -0.259 0.000 0.651 202 V HN 0.387 nan 8.190 nan 0.000 0.449 203 A N 0.541 123.286 122.820 -0.125 0.000 1.933 203 A HA -0.105 4.154 4.320 -0.102 0.000 0.218 203 A C 2.389 179.960 177.584 -0.022 0.000 1.175 203 A CA 1.943 53.932 52.037 -0.080 0.000 0.628 203 A CB -1.168 17.778 19.000 -0.090 0.000 0.814 203 A HN 0.538 nan 8.150 nan 0.000 0.444 204 G N -0.901 107.886 108.800 -0.022 0.000 2.422 204 G HA2 -0.121 3.778 3.960 -0.102 0.000 0.218 204 G HA3 -0.121 3.778 3.960 -0.102 0.000 0.218 204 G C 1.342 176.255 174.900 0.021 0.000 1.140 204 G CA 0.916 46.015 45.100 -0.001 0.000 0.775 204 G HN 0.490 nan 8.290 nan 0.000 0.545 205 E N -0.531 119.687 120.200 0.030 0.000 2.400 205 E HA 0.104 4.393 4.350 -0.102 0.000 0.195 205 E C 0.693 177.343 176.600 0.083 0.000 1.012 205 E CA -0.476 55.956 56.400 0.055 0.000 0.875 205 E CB 0.017 29.751 29.700 0.056 0.000 0.859 205 E HN 0.330 nan 8.360 nan 0.000 0.498 206 L N 2.449 123.725 121.223 0.089 0.000 2.513 206 L HA 0.029 4.307 4.340 -0.102 0.000 0.272 206 L C -0.155 176.789 176.870 0.124 0.000 1.187 206 L CA 0.171 55.092 54.840 0.135 0.000 0.895 206 L CB 0.293 42.442 42.059 0.149 0.000 1.147 206 L HN -0.282 nan 8.230 nan 0.000 0.483 207 R N 5.700 126.285 120.500 0.141 0.000 2.267 207 R HA 0.473 4.752 4.340 -0.102 0.000 0.319 207 R C -0.795 175.585 176.300 0.134 0.000 1.067 207 R CA 0.188 56.370 56.100 0.138 0.000 0.936 207 R CB 0.260 30.654 30.300 0.157 0.000 1.006 207 R HN 0.611 nan 8.270 nan 0.000 0.452 208 I N 5.439 126.082 120.570 0.122 0.000 2.382 208 I HA 0.268 4.377 4.170 -0.102 0.000 0.285 208 I C -0.338 175.873 176.117 0.157 0.000 1.007 208 I CA -0.529 60.813 61.300 0.070 0.000 1.142 208 I CB 0.850 38.831 38.000 -0.031 0.000 1.289 208 I HN 0.273 nan 8.210 nan 0.000 0.453 209 L N 5.508 126.816 121.223 0.142 0.000 2.379 209 L HA 0.431 4.710 4.340 -0.102 0.000 0.269 209 L C -0.615 176.461 176.870 0.344 0.000 1.084 209 L CA -0.905 54.056 54.840 0.202 0.000 0.802 209 L CB 0.856 43.002 42.059 0.144 0.000 1.175 209 L HN 0.454 nan 8.230 nan 0.000 0.448 210 Y N 0.654 121.127 120.300 0.288 0.000 2.323 210 Y HA 0.657 5.146 4.550 -0.102 0.000 0.331 210 Y C 0.119 176.203 175.900 0.307 0.000 1.092 210 Y CA -0.624 57.711 58.100 0.393 0.000 1.150 210 Y CB 1.754 40.438 38.460 0.375 0.000 1.200 210 Y HN 0.540 nan 8.280 nan 0.000 0.472 211 G N 2.012 110.312 108.800 -0.832 0.000 2.566 211 G HA2 0.549 4.448 3.960 -0.102 0.000 0.311 211 G HA3 0.549 4.448 3.960 -0.102 0.000 0.311 211 G C -0.682 173.661 174.900 -0.929 0.000 1.322 211 G CA -0.635 44.086 45.100 -0.632 0.000 0.969 211 G HN 1.421 nan 8.290 nan 0.000 0.490 212 G N 0.124 108.641 108.800 -0.472 0.000 2.781 212 G HA2 0.391 4.290 3.960 -0.102 0.000 0.468 212 G HA3 0.391 4.290 3.960 -0.102 0.000 0.468 212 G C 0.308 175.202 174.900 -0.009 0.000 1.186 212 G CA 0.139 45.072 45.100 -0.279 0.000 1.220 212 G HN 1.817 nan 8.290 nan 0.000 0.564 213 S N -1.949 113.772 115.700 0.036 0.000 3.695 213 S HA -0.209 4.200 4.470 -0.102 0.000 0.310 213 S C 0.829 175.501 174.600 0.120 0.000 1.166 213 S CA 0.696 58.948 58.200 0.087 0.000 0.882 213 S CB -1.491 61.769 63.200 0.101 0.000 0.949 213 S HN 1.811 nan 8.310 nan 0.000 0.540 214 V N 3.425 123.408 119.914 0.115 0.000 2.614 214 V HA 0.458 4.517 4.120 -0.102 0.000 0.291 214 V C 0.687 176.777 176.094 -0.008 0.000 1.049 214 V CA -0.094 62.238 62.300 0.053 0.000 1.038 214 V CB 1.036 32.867 31.823 0.012 0.000 0.980 214 V HN 0.721 nan 8.190 nan 0.000 0.481 215 N N 2.681 121.348 118.700 -0.054 0.000 2.774 215 N HA 0.334 5.013 4.740 -0.102 0.000 0.264 215 N C 0.959 176.414 175.510 -0.092 0.000 1.415 215 N CA -0.230 52.793 53.050 -0.045 0.000 0.815 215 N CB 1.853 40.336 38.487 -0.006 0.000 1.514 215 N HN 0.479 nan 8.380 nan 0.000 0.523 216 G N 1.029 109.792 108.800 -0.062 0.000 2.574 216 G HA2 -0.376 3.522 3.960 -0.102 0.000 0.220 216 G HA3 -0.376 3.522 3.960 -0.102 0.000 0.220 216 G C 1.358 176.217 174.900 -0.068 0.000 1.173 216 G CA 1.521 46.579 45.100 -0.069 0.000 0.772 216 G HN 0.677 nan 8.290 nan 0.000 0.585 217 K N 1.133 121.509 120.400 -0.041 0.000 1.988 217 K HA -0.198 4.061 4.320 -0.102 0.000 0.221 217 K C 2.381 178.961 176.600 -0.033 0.000 1.053 217 K CA 2.129 58.400 56.287 -0.027 0.000 0.959 217 K CB -0.298 32.195 32.500 -0.011 0.000 0.728 217 K HN 0.556 nan 8.250 nan 0.000 0.447 218 N N -0.358 118.319 118.700 -0.038 0.000 2.463 218 N HA 0.014 4.693 4.740 -0.102 0.000 0.181 218 N C 1.262 176.741 175.510 -0.052 0.000 1.078 218 N CA 0.939 53.974 53.050 -0.026 0.000 0.902 218 N CB -0.023 38.464 38.487 -0.001 0.000 0.970 218 N HN 0.205 nan 8.380 nan 0.000 0.451 219 A N 1.191 123.918 122.820 -0.156 0.000 1.855 219 A HA -0.060 4.199 4.320 -0.102 0.000 0.215 219 A C 2.331 179.926 177.584 0.018 0.000 1.191 219 A CA 1.358 53.187 52.037 -0.346 0.000 0.613 219 A CB -0.708 17.900 19.000 -0.654 0.000 0.829 219 A HN 0.250 nan 8.150 nan 0.000 0.442 220 R N -0.449 120.063 120.500 0.021 0.000 2.094 220 R HA -0.126 4.153 4.340 -0.102 0.000 0.239 220 R C 2.292 178.684 176.300 0.154 0.000 1.137 220 R CA 2.582 58.744 56.100 0.103 0.000 0.943 220 R CB -1.218 29.100 30.300 0.030 0.000 0.850 220 R HN 0.529 nan 8.270 nan 0.000 0.433 221 T N 0.995 115.601 114.554 0.087 0.000 2.684 221 T HA -0.158 4.131 4.350 -0.102 0.000 0.267 221 T C 1.786 176.536 174.700 0.084 0.000 1.036 221 T CA 1.670 63.810 62.100 0.068 0.000 1.148 221 T CB -0.277 68.610 68.868 0.031 0.000 0.863 221 T HN 0.139 nan 8.240 nan 0.000 0.436 222 L N -0.519 120.782 121.223 0.130 0.000 2.042 222 L HA -0.115 4.164 4.340 -0.102 0.000 0.210 222 L C 2.339 179.303 176.870 0.157 0.000 1.076 222 L CA 1.467 56.391 54.840 0.139 0.000 0.749 222 L CB -0.554 41.666 42.059 0.268 0.000 0.893 222 L HN 0.256 nan 8.230 nan 0.000 0.432 223 Y N 0.306 120.746 120.300 0.234 0.000 2.497 223 Y HA -0.183 4.305 4.550 -0.103 0.000 0.292 223 Y C 2.467 178.379 175.900 0.019 0.000 1.137 223 Y CA 0.939 59.105 58.100 0.111 0.000 1.285 223 Y CB 0.036 38.618 38.460 0.204 0.000 0.991 223 Y HN 0.213 nan 8.280 nan 0.000 0.556 224 Q N 0.104 119.920 119.800 0.027 0.000 2.369 224 Q HA -0.065 4.214 4.340 -0.102 0.000 0.206 224 Q C 0.307 176.234 176.000 -0.122 0.000 0.963 224 Q CA 0.610 56.391 55.803 -0.037 0.000 0.894 224 Q CB -0.272 28.475 28.738 0.016 0.000 0.965 224 Q HN 0.478 nan 8.270 nan 0.000 0.475 225 Q N 0.586 120.291 119.800 -0.157 0.000 2.364 225 Q HA 0.044 4.322 4.340 -0.102 0.000 0.267 225 Q C 1.032 176.910 176.000 -0.204 0.000 0.999 225 Q CA 0.116 55.822 55.803 -0.163 0.000 0.886 225 Q CB 0.602 29.235 28.738 -0.174 0.000 1.243 225 Q HN 0.170 nan 8.270 nan 0.000 0.415 226 R N 1.816 122.233 120.500 -0.138 0.000 2.119 226 R HA -0.185 4.094 4.340 -0.102 0.000 0.246 226 R C 0.088 176.316 176.300 -0.120 0.000 1.146 226 R CA 1.810 57.841 56.100 -0.114 0.000 0.962 226 R CB 0.344 30.604 30.300 -0.067 0.000 0.863 226 R HN 0.604 nan 8.270 nan 0.000 0.442 227 D N -0.247 120.087 120.400 -0.109 0.000 2.402 227 D HA 0.092 4.671 4.640 -0.102 0.000 0.216 227 D C -0.723 175.577 176.300 0.000 0.000 1.128 227 D CA 0.065 54.049 54.000 -0.028 0.000 0.833 227 D CB 0.975 41.804 40.800 0.049 0.000 0.971 227 D HN -0.025 nan 8.370 nan 0.000 0.503 228 V N 1.579 121.365 119.914 -0.213 0.000 2.383 228 V HA 0.187 4.246 4.120 -0.102 0.000 0.275 228 V C 0.496 176.412 176.094 -0.297 0.000 1.036 228 V CA -0.390 61.748 62.300 -0.270 0.000 0.889 228 V CB 1.289 32.849 31.823 -0.437 0.000 0.985 228 V HN 0.012 nan 8.190 nan 0.000 0.459 229 N N 3.467 122.139 118.700 -0.048 0.000 2.282 229 N HA 0.536 5.215 4.740 -0.102 0.000 0.240 229 N C 0.430 176.040 175.510 0.167 0.000 1.182 229 N CA 0.328 53.427 53.050 0.082 0.000 0.874 229 N CB 1.170 39.722 38.487 0.109 0.000 1.126 229 N HN 0.956 nan 8.380 nan 0.000 0.516 230 G N 0.201 108.974 108.800 -0.046 0.000 2.298 230 G HA2 0.046 3.945 3.960 -0.102 0.000 0.309 230 G HA3 0.046 3.945 3.960 -0.102 0.000 0.309 230 G C -1.853 172.653 174.900 -0.657 0.000 1.279 230 G CA -1.043 43.862 45.100 -0.326 0.000 1.042 230 G HN 0.041 nan 8.290 nan 0.000 0.480 231 F N -0.956 119.123 119.950 0.216 0.000 2.601 231 F HA 0.758 5.225 4.527 -0.100 0.000 0.309 231 F C -0.294 175.611 175.800 0.175 0.000 1.089 231 F CA -0.827 57.297 58.000 0.207 0.000 0.940 231 F CB 2.212 41.324 39.000 0.186 0.000 1.273 231 F HN 0.529 nan 8.300 nan 0.000 0.450 232 L N 2.460 123.879 121.223 0.326 0.000 2.333 232 L HA 0.944 5.223 4.340 -0.102 0.000 0.280 232 L C -0.665 176.328 176.870 0.205 0.000 1.004 232 L CA -0.212 54.765 54.840 0.228 0.000 0.820 232 L CB 0.845 42.993 42.059 0.149 0.000 1.247 232 L HN 0.795 nan 8.230 nan 0.000 0.416 233 A N 3.003 125.945 122.820 0.203 0.000 2.524 233 A HA 0.892 5.151 4.320 -0.102 0.000 0.289 233 A C -0.089 177.536 177.584 0.069 0.000 1.248 233 A CA -0.244 51.889 52.037 0.160 0.000 0.712 233 A CB 0.298 19.443 19.000 0.242 0.000 1.312 233 A HN 0.878 nan 8.150 nan 0.000 0.441 239 K N 2.997 123.411 120.400 0.023 0.000 2.466 239 K HA 0.688 4.947 4.320 -0.102 0.000 0.260 239 K C -2.193 174.486 176.600 0.131 0.000 1.011 239 K CA -1.645 54.654 56.287 0.018 0.000 0.871 239 K CB 1.665 34.177 32.500 0.020 0.000 1.404 239 K HN -0.062 nan 8.250 nan 0.000 0.450 240 P HA -0.233 nan 4.420 nan 0.000 0.219 240 P C 0.491 177.887 177.300 0.160 0.000 1.146 240 P CA 1.243 64.378 63.100 0.059 0.000 0.808 240 P CB 0.130 31.819 31.700 -0.020 0.000 0.779 241 E N -1.602 118.679 120.200 0.136 0.000 2.482 241 E HA -0.138 4.151 4.350 -0.102 0.000 0.196 241 E C 1.536 178.232 176.600 0.160 0.000 1.047 241 E CA -0.014 56.453 56.400 0.113 0.000 0.869 241 E CB -1.080 28.655 29.700 0.059 0.000 0.836 241 E HN 0.112 nan 8.360 nan 0.000 0.520 242 F N 1.793 121.812 119.950 0.115 0.000 2.154 242 F HA -0.235 4.230 4.527 -0.103 0.000 0.301 242 F C 1.898 177.729 175.800 0.051 0.000 1.087 242 F CA 1.184 59.235 58.000 0.085 0.000 1.274 242 F CB -0.209 38.873 39.000 0.136 0.000 1.009 242 F HN -0.084 nan 8.300 nan 0.000 0.485 243 V N 0.371 120.379 119.914 0.157 0.000 2.287 243 V HA -0.344 3.715 4.120 -0.102 0.000 0.248 243 V C 2.128 178.168 176.094 -0.089 0.000 1.053 243 V CA 2.319 64.644 62.300 0.042 0.000 1.027 243 V CB -0.705 31.238 31.823 0.201 0.000 0.646 243 V HN 0.261 nan 8.190 nan 0.000 0.447 244 D N -0.142 120.226 120.400 -0.054 0.000 2.144 244 D HA -0.133 4.446 4.640 -0.102 0.000 0.199 244 D C 2.004 178.208 176.300 -0.160 0.000 0.984 244 D CA 1.355 55.306 54.000 -0.081 0.000 0.834 244 D CB -0.240 40.531 40.800 -0.049 0.000 0.955 244 D HN 0.429 nan 8.370 nan 0.000 0.465 245 I N 0.518 120.943 120.570 -0.241 0.000 2.252 245 I HA -0.204 3.905 4.170 -0.102 0.000 0.245 245 I C 2.325 178.247 176.117 -0.325 0.000 1.102 245 I CA 0.575 61.675 61.300 -0.334 0.000 1.385 245 I CB -0.131 37.665 38.000 -0.341 0.000 1.064 245 I HN -0.057 nan 8.210 nan 0.000 0.414 246 I N 0.828 121.090 120.570 -0.513 0.000 2.118 246 I HA -0.356 3.753 4.170 -0.102 0.000 0.241 246 I C 2.467 178.501 176.117 -0.138 0.000 1.070 246 I CA 1.702 62.759 61.300 -0.404 0.000 1.327 246 I CB -0.472 37.228 38.000 -0.500 0.000 1.034 246 I HN 0.152 nan 8.210 nan 0.000 0.405 247 K N 0.744 121.077 120.400 -0.112 0.000 2.152 247 K HA -0.137 4.122 4.320 -0.102 0.000 0.206 247 K C 2.086 178.624 176.600 -0.103 0.000 1.048 247 K CA 1.377 57.641 56.287 -0.038 0.000 0.933 247 K CB -0.276 32.199 32.500 -0.042 0.000 0.721 247 K HN 0.358 nan 8.250 nan 0.000 0.447 248 A N 1.359 124.107 122.820 -0.119 0.000 2.172 248 A HA -0.082 4.177 4.320 -0.102 0.000 0.216 248 A C 1.554 179.009 177.584 -0.214 0.000 1.154 248 A CA 1.396 53.373 52.037 -0.101 0.000 0.701 248 A CB -0.676 18.282 19.000 -0.070 0.000 0.789 248 A HN 0.388 nan 8.150 nan 0.000 0.465 249 T N -0.686 113.640 114.554 -0.381 0.000 3.418 249 T HA 0.410 4.698 4.350 -0.102 0.000 0.239 249 T C 0.071 174.150 174.700 -1.035 0.000 0.905 249 T CA -0.174 61.368 62.100 -0.931 0.000 0.929 249 T CB -0.918 67.688 68.868 -0.438 0.000 1.121 249 T HN 0.731 nan 8.240 nan 0.000 0.608 250 Q N 0.000 119.372 119.800 -0.714 0.000 2.315 250 Q HA 0.000 4.279 4.340 -0.102 0.000 0.214 250 Q CA 0.000 55.600 55.803 -0.338 0.000 1.022 250 Q CB 0.000 28.428 28.738 -0.517 0.000 1.108 250 Q HN 0.000 nan 8.270 nan 0.000 0.481