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 1zz6_1_B DATA FIRST_RESID 6 DATA SEQUENCE TASTGFAELL KDRREQVKMD HAALASLLGE TPETVAAWEN GEGGELTLTQ DATA SEQUENCE LGRIAHVLGT SIGALTPPAG NDLDDGVIIQ MPDERPILKG VRXXXDYYVY DATA SEQUENCE NCLVRTKRAP SLVPLVVDVL TDNPDDAKFN SXXXXNEFLF VLEGEIHMKW DATA SEQUENCE GDKXXXKEAL LPTGASMFVE EHVPHAFTAA KGTGSAKLIA VNF 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.724 174.700 0.040 0.000 1.109 6 T CA 0.000 62.118 62.100 0.030 0.000 1.349 6 T CB 0.000 68.887 68.868 0.031 0.000 0.612 7 A N 0.808 123.648 122.820 0.034 0.000 1.854 7 A HA 0.246 4.566 4.320 -0.000 0.000 0.214 7 A C 2.761 180.390 177.584 0.074 0.000 1.192 7 A CA 2.792 54.851 52.037 0.037 0.000 0.611 7 A CB -1.117 17.883 19.000 0.000 0.000 0.832 7 A HN 1.828 nan 8.150 nan 0.000 0.442 8 S N 0.061 115.800 115.700 0.065 0.000 2.383 8 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 8 S C 2.024 176.717 174.600 0.155 0.000 1.026 8 S CA 2.086 60.353 58.200 0.111 0.000 0.981 8 S CB -1.418 61.830 63.200 0.079 0.000 0.818 8 S HN 0.780 nan 8.310 nan 0.000 0.472 9 T N -0.836 113.779 114.554 0.102 0.000 2.857 9 T HA 0.154 4.504 4.350 -0.000 0.000 0.266 9 T C 2.033 176.782 174.700 0.082 0.000 1.048 9 T CA 1.077 63.228 62.100 0.085 0.000 1.139 9 T CB -1.228 67.674 68.868 0.057 0.000 0.874 9 T HN 0.460 nan 8.240 nan 0.000 0.455 10 G N 0.457 109.310 108.800 0.089 0.000 2.404 10 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.215 10 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.215 10 G C 1.280 176.240 174.900 0.101 0.000 1.174 10 G CA 0.567 45.714 45.100 0.079 0.000 0.780 10 G HN 0.516 nan 8.290 nan 0.000 0.537 11 F N 2.275 122.223 119.950 -0.003 0.000 2.161 11 F HA 0.024 4.551 4.527 0.000 0.000 0.300 11 F C 2.766 178.574 175.800 0.014 0.000 1.089 11 F CA 1.410 59.401 58.000 -0.013 0.000 1.282 11 F CB 0.064 39.035 39.000 -0.047 0.000 1.010 11 F HN 0.230 nan 8.300 nan 0.000 0.485 12 A N -0.194 122.624 122.820 -0.004 0.000 1.898 12 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 12 A C 2.163 179.694 177.584 -0.088 0.000 1.181 12 A CA 1.777 53.781 52.037 -0.056 0.000 0.620 12 A CB -0.872 18.172 19.000 0.073 0.000 0.819 12 A HN 0.573 nan 8.150 nan 0.000 0.442 13 E N -0.433 119.739 120.200 -0.046 0.000 2.158 13 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 13 E C 1.799 178.358 176.600 -0.069 0.000 0.982 13 E CA 0.531 56.908 56.400 -0.038 0.000 0.823 13 E CB -0.106 29.589 29.700 -0.008 0.000 0.766 13 E HN 0.621 nan 8.360 nan 0.000 0.468 14 L N 0.444 121.606 121.223 -0.103 0.000 2.209 14 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 14 L C 2.396 179.161 176.870 -0.174 0.000 1.094 14 L CA 0.051 54.828 54.840 -0.104 0.000 0.790 14 L CB -0.232 41.793 42.059 -0.057 0.000 0.932 14 L HN 0.257 nan 8.230 nan 0.000 0.447 15 L N 0.744 121.759 121.223 -0.347 0.000 1.976 15 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 15 L C 2.603 179.386 176.870 -0.146 0.000 1.071 15 L CA 1.994 56.619 54.840 -0.358 0.000 0.746 15 L CB -0.714 40.960 42.059 -0.642 0.000 0.890 15 L HN 0.177 nan 8.230 nan 0.000 0.432 16 K N -0.727 119.612 120.400 -0.102 0.000 2.044 16 K HA -0.259 4.061 4.320 -0.000 0.000 0.210 16 K C 1.814 178.385 176.600 -0.049 0.000 1.049 16 K CA 2.131 58.395 56.287 -0.039 0.000 0.927 16 K CB -0.444 32.049 32.500 -0.011 0.000 0.713 16 K HN 0.430 nan 8.250 nan 0.000 0.443 17 D N 0.273 120.641 120.400 -0.053 0.000 2.106 17 D HA -0.190 4.450 4.640 -0.000 0.000 0.191 17 D C 2.144 178.420 176.300 -0.040 0.000 0.997 17 D CA 1.300 55.275 54.000 -0.042 0.000 0.834 17 D CB -0.226 40.552 40.800 -0.037 0.000 0.956 17 D HN 0.200 nan 8.370 nan 0.000 0.448 18 R N 1.232 121.705 120.500 -0.046 0.000 2.092 18 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 18 R C 2.149 178.432 176.300 -0.029 0.000 1.119 18 R CA 1.297 57.377 56.100 -0.034 0.000 0.970 18 R CB -0.402 29.877 30.300 -0.034 0.000 0.864 18 R HN 0.079 nan 8.270 nan 0.000 0.440 19 R N 0.834 121.315 120.500 -0.032 0.000 2.097 19 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 19 R C 1.988 178.265 176.300 -0.038 0.000 1.135 19 R CA 2.339 58.424 56.100 -0.025 0.000 0.934 19 R CB -0.405 29.881 30.300 -0.023 0.000 0.846 19 R HN 0.578 nan 8.270 nan 0.000 0.431 20 E N 0.137 120.307 120.200 -0.050 0.000 2.153 20 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 20 E C 1.997 178.576 176.600 -0.036 0.000 0.988 20 E CA 1.170 57.540 56.400 -0.050 0.000 0.811 20 E CB -0.459 29.209 29.700 -0.053 0.000 0.746 20 E HN 0.546 nan 8.360 nan 0.000 0.466 21 Q N 1.359 121.141 119.800 -0.030 0.000 2.234 21 Q HA -0.135 4.205 4.340 -0.000 0.000 0.206 21 Q C 1.858 177.845 176.000 -0.021 0.000 0.980 21 Q CA 1.932 57.721 55.803 -0.023 0.000 0.869 21 Q CB 0.100 28.825 28.738 -0.021 0.000 0.912 21 Q HN 0.400 nan 8.270 nan 0.000 0.436 22 V N -3.298 116.602 119.914 -0.023 0.000 3.177 22 V HA 0.303 4.423 4.120 -0.000 0.000 0.342 22 V C -0.045 176.036 176.094 -0.021 0.000 1.379 22 V CA -0.133 62.155 62.300 -0.020 0.000 1.191 22 V CB 0.148 31.960 31.823 -0.018 0.000 1.167 22 V HN 0.166 nan 8.190 nan 0.000 0.471 23 K N -0.991 119.393 120.400 -0.026 0.000 3.472 23 K HA -0.206 4.114 4.320 -0.000 0.000 0.315 23 K C 0.136 176.717 176.600 -0.032 0.000 1.320 23 K CA 1.615 57.886 56.287 -0.028 0.000 0.962 23 K CB -2.175 30.313 32.500 -0.021 0.000 1.251 23 K HN 0.753 nan 8.250 nan 0.000 0.443 24 M N 1.126 120.705 119.600 -0.034 0.000 2.288 24 M HA 0.230 4.710 4.480 -0.000 0.000 0.334 24 M C 0.508 176.767 176.300 -0.067 0.000 1.150 24 M CA -0.513 54.766 55.300 -0.034 0.000 1.118 24 M CB 0.970 33.560 32.600 -0.016 0.000 1.501 24 M HN 0.121 nan 8.290 nan 0.000 0.462 25 D N -0.880 119.479 120.400 -0.068 0.000 2.392 25 D HA 0.225 4.865 4.640 -0.000 0.000 0.246 25 D C 0.590 176.840 176.300 -0.084 0.000 1.013 25 D CA -0.534 53.387 54.000 -0.131 0.000 0.993 25 D CB 0.414 41.161 40.800 -0.088 0.000 1.219 25 D HN 0.537 nan 8.370 nan 0.000 0.538 26 H N 0.379 119.442 119.070 -0.011 0.000 2.394 26 H HA -0.163 4.393 4.556 0.000 0.000 0.297 26 H C 1.831 177.145 175.328 -0.023 0.000 1.113 26 H CA 2.141 58.177 56.048 -0.020 0.000 1.277 26 H CB -0.524 29.216 29.762 -0.036 0.000 1.370 26 H HN 0.635 nan 8.280 nan 0.000 0.506 27 A N 1.166 124.042 122.820 0.094 0.000 1.858 27 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 27 A C 2.783 180.386 177.584 0.032 0.000 1.190 27 A CA 2.086 54.150 52.037 0.045 0.000 0.617 27 A CB -1.021 17.994 19.000 0.026 0.000 0.827 27 A HN 0.452 nan 8.150 nan 0.000 0.443 28 A N -0.538 122.296 122.820 0.022 0.000 1.883 28 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 28 A C 2.174 179.778 177.584 0.033 0.000 1.186 28 A CA 1.950 53.998 52.037 0.019 0.000 0.624 28 A CB -0.715 18.288 19.000 0.005 0.000 0.822 28 A HN 0.816 nan 8.150 nan 0.000 0.444 29 L N -0.325 120.927 121.223 0.047 0.000 2.056 29 L HA 0.024 4.364 4.340 -0.000 0.000 0.207 29 L C 2.622 179.542 176.870 0.085 0.000 1.078 29 L CA 2.152 57.036 54.840 0.074 0.000 0.749 29 L CB -0.998 41.123 42.059 0.103 0.000 0.901 29 L HN 0.343 nan 8.230 nan 0.000 0.433 30 A N -0.605 122.254 122.820 0.064 0.000 1.908 30 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 30 A C 2.465 180.070 177.584 0.035 0.000 1.181 30 A CA 2.348 54.404 52.037 0.031 0.000 0.627 30 A CB -1.140 17.853 19.000 -0.011 0.000 0.818 30 A HN 0.692 nan 8.150 nan 0.000 0.445 31 S N 0.244 115.964 115.700 0.033 0.000 2.355 31 S HA -0.089 4.381 4.470 -0.000 0.000 0.222 31 S C 1.874 176.498 174.600 0.041 0.000 1.031 31 S CA 1.436 59.653 58.200 0.030 0.000 0.993 31 S CB -0.847 62.366 63.200 0.022 0.000 0.859 31 S HN 0.452 nan 8.310 nan 0.000 0.453 32 L N 0.661 121.913 121.223 0.048 0.000 2.083 32 L HA 0.033 4.373 4.340 -0.000 0.000 0.209 32 L C 2.524 179.439 176.870 0.075 0.000 1.083 32 L CA 1.050 55.923 54.840 0.054 0.000 0.752 32 L CB -0.596 41.492 42.059 0.049 0.000 0.899 32 L HN 0.300 nan 8.230 nan 0.000 0.433 33 L N -0.413 120.867 121.223 0.094 0.000 2.341 33 L HA 0.089 4.429 4.340 -0.000 0.000 0.214 33 L C 1.223 178.155 176.870 0.104 0.000 1.115 33 L CA 0.553 55.470 54.840 0.127 0.000 0.820 33 L CB -0.428 41.750 42.059 0.197 0.000 0.944 33 L HN 0.500 nan 8.230 nan 0.000 0.452 34 G N 0.979 109.821 108.800 0.070 0.000 2.291 34 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.271 34 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.271 34 G C -0.127 174.798 174.900 0.042 0.000 1.099 34 G CA -0.051 45.079 45.100 0.051 0.000 0.919 34 G HN 0.381 nan 8.290 nan 0.000 0.496 35 E N -0.985 119.227 120.200 0.019 0.000 2.456 35 E HA 0.616 4.966 4.350 -0.000 0.000 0.276 35 E C 0.221 176.779 176.600 -0.071 0.000 0.981 35 E CA -0.227 56.154 56.400 -0.032 0.000 0.814 35 E CB 1.373 31.034 29.700 -0.065 0.000 1.382 35 E HN 0.507 nan 8.360 nan 0.000 0.459 36 T N -1.853 112.627 114.554 -0.123 0.000 2.922 36 T HA 0.273 4.623 4.350 -0.000 0.000 0.285 36 T C -1.718 172.885 174.700 -0.160 0.000 1.005 36 T CA -1.657 60.373 62.100 -0.116 0.000 1.061 36 T CB 1.397 70.198 68.868 -0.113 0.000 1.007 36 T HN 0.121 nan 8.240 nan 0.000 0.502 37 P HA -0.126 nan 4.420 nan 0.000 0.221 37 P C 1.162 178.326 177.300 -0.228 0.000 1.145 37 P CA 1.020 64.056 63.100 -0.107 0.000 0.795 37 P CB 0.243 31.928 31.700 -0.025 0.000 0.775 38 E N 0.055 120.133 120.200 -0.203 0.000 2.031 38 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 38 E C 1.798 178.206 176.600 -0.320 0.000 0.994 38 E CA 1.863 58.130 56.400 -0.221 0.000 0.800 38 E CB -0.502 29.106 29.700 -0.153 0.000 0.752 38 E HN 0.076 nan 8.360 nan 0.000 0.447 39 T N 0.586 114.907 114.554 -0.390 0.000 2.622 39 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 39 T C 1.946 176.062 174.700 -0.974 0.000 1.047 39 T CA 1.632 63.344 62.100 -0.647 0.000 1.159 39 T CB -0.365 68.083 68.868 -0.701 0.000 0.863 39 T HN 0.041 nan 8.240 nan 0.000 0.422 40 V N 1.742 121.162 119.914 -0.823 0.000 2.332 40 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 40 V C 2.862 178.748 176.094 -0.347 0.000 1.055 40 V CA 1.770 63.758 62.300 -0.520 0.000 1.038 40 V CB -1.239 30.503 31.823 -0.136 0.000 0.651 40 V HN 0.560 nan 8.190 nan 0.000 0.450 41 A N -0.187 122.289 122.820 -0.573 0.000 1.933 41 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 41 A C 2.424 179.857 177.584 -0.251 0.000 1.175 41 A CA 2.123 53.782 52.037 -0.631 0.000 0.628 41 A CB -0.719 17.923 19.000 -0.597 0.000 0.814 41 A HN 0.579 nan 8.150 nan 0.000 0.444 42 A N -0.840 121.836 122.820 -0.239 0.000 1.858 42 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 42 A C 1.982 179.625 177.584 0.098 0.000 1.190 42 A CA 1.504 53.485 52.037 -0.094 0.000 0.617 42 A CB -0.964 17.950 19.000 -0.142 0.000 0.827 42 A HN 0.712 nan 8.150 nan 0.000 0.443 43 W N 0.235 121.554 121.300 0.032 0.000 2.304 43 W HA -0.171 4.489 4.660 -0.000 0.000 0.315 43 W C 2.062 178.618 176.519 0.061 0.000 1.233 43 W CA 1.331 58.743 57.345 0.112 0.000 1.261 43 W CB -1.295 28.276 29.460 0.184 0.000 1.150 43 W HN 0.519 nan 8.180 nan 0.000 0.494 44 E N -0.671 119.672 120.200 0.237 0.000 2.515 44 E HA -0.127 4.223 4.350 -0.000 0.000 0.201 44 E C 1.518 178.173 176.600 0.092 0.000 1.071 44 E CA 0.278 56.754 56.400 0.126 0.000 0.880 44 E CB -0.455 29.332 29.700 0.145 0.000 0.828 44 E HN 0.382 nan 8.360 nan 0.000 0.540 45 N N -0.399 118.356 118.700 0.092 0.000 2.230 45 N HA 0.001 4.741 4.740 -0.000 0.000 0.202 45 N C 0.505 176.066 175.510 0.086 0.000 1.119 45 N CA 0.431 53.520 53.050 0.065 0.000 0.851 45 N CB 0.587 39.093 38.487 0.033 0.000 0.990 45 N HN 0.167 nan 8.380 nan 0.000 0.497 46 G N 1.471 110.349 108.800 0.129 0.000 2.132 46 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.228 46 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.228 46 G C -0.003 174.988 174.900 0.150 0.000 1.000 46 G CA -0.093 45.089 45.100 0.135 0.000 0.693 46 G HN 0.535 nan 8.290 nan 0.000 0.515 47 E N -0.219 120.101 120.200 0.200 0.000 2.496 47 E HA 0.383 4.733 4.350 -0.000 0.000 0.202 47 E C 1.700 178.474 176.600 0.290 0.000 1.021 47 E CA 0.227 56.746 56.400 0.199 0.000 1.015 47 E CB 0.548 30.343 29.700 0.157 0.000 1.102 47 E HN 0.403 nan 8.360 nan 0.000 0.452 48 G N 0.185 109.151 108.800 0.277 0.000 3.393 48 G HA2 0.052 4.012 3.960 -0.000 0.000 0.255 48 G HA3 0.052 4.012 3.960 -0.000 0.000 0.255 48 G C 1.194 176.049 174.900 -0.076 0.000 1.097 48 G CA 0.084 45.259 45.100 0.125 0.000 0.780 48 G HN 0.325 nan 8.290 nan 0.000 0.540 49 G N 0.711 109.508 108.800 -0.005 0.000 2.479 49 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.220 49 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.220 49 G C 1.374 176.230 174.900 -0.074 0.000 1.115 49 G CA 0.508 45.576 45.100 -0.053 0.000 0.757 49 G HN 0.375 nan 8.290 nan 0.000 0.560 50 E N -0.241 119.935 120.200 -0.041 0.000 2.479 50 E HA 0.169 4.519 4.350 -0.000 0.000 0.193 50 E C 1.003 177.559 176.600 -0.072 0.000 1.049 50 E CA -0.306 56.072 56.400 -0.036 0.000 0.870 50 E CB 0.090 29.796 29.700 0.011 0.000 0.944 50 E HN 0.370 nan 8.360 nan 0.000 0.492 51 L N 2.161 123.294 121.223 -0.151 0.000 2.525 51 L HA -0.019 4.321 4.340 -0.000 0.000 0.278 51 L C 1.190 177.941 176.870 -0.197 0.000 1.218 51 L CA 0.227 54.937 54.840 -0.218 0.000 0.878 51 L CB 0.250 42.026 42.059 -0.473 0.000 1.127 51 L HN 0.037 nan 8.230 nan 0.000 0.492 52 T N 0.035 114.504 114.554 -0.141 0.000 2.847 52 T HA 0.178 4.528 4.350 -0.000 0.000 0.279 52 T C 0.930 175.551 174.700 -0.131 0.000 0.984 52 T CA -0.825 61.208 62.100 -0.113 0.000 0.988 52 T CB 1.205 70.033 68.868 -0.067 0.000 1.040 52 T HN 0.476 nan 8.240 nan 0.000 0.528 53 L N 1.320 122.482 121.223 -0.101 0.000 2.012 53 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 53 L C 2.630 179.454 176.870 -0.077 0.000 1.073 53 L CA 2.326 57.111 54.840 -0.092 0.000 0.748 53 L CB -1.571 40.449 42.059 -0.064 0.000 0.891 53 L HN 0.962 nan 8.230 nan 0.000 0.431 54 T N -0.729 113.789 114.554 -0.059 0.000 2.746 54 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 54 T C 1.835 176.509 174.700 -0.044 0.000 1.039 54 T CA 1.846 63.920 62.100 -0.043 0.000 1.142 54 T CB -0.218 68.632 68.868 -0.030 0.000 0.866 54 T HN 0.495 nan 8.240 nan 0.000 0.444 55 Q N 0.269 120.033 119.800 -0.060 0.000 2.084 55 Q HA 0.028 4.368 4.340 -0.000 0.000 0.202 55 Q C 2.402 178.342 176.000 -0.100 0.000 0.978 55 Q CA 1.053 56.818 55.803 -0.063 0.000 0.844 55 Q CB -0.359 28.333 28.738 -0.077 0.000 0.898 55 Q HN 0.464 nan 8.270 nan 0.000 0.426 56 L N -0.279 120.853 121.223 -0.152 0.000 2.046 56 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 56 L C 2.401 179.241 176.870 -0.051 0.000 1.077 56 L CA 1.146 55.889 54.840 -0.162 0.000 0.747 56 L CB -0.797 41.133 42.059 -0.215 0.000 0.896 56 L HN 0.355 nan 8.230 nan 0.000 0.432 57 G N -0.272 108.507 108.800 -0.034 0.000 2.442 57 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 57 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 57 G C 1.742 176.673 174.900 0.052 0.000 1.141 57 G CA 0.417 45.522 45.100 0.007 0.000 0.763 57 G HN 0.287 nan 8.290 nan 0.000 0.554 58 R N -0.213 120.312 120.500 0.041 0.000 2.092 58 R HA 0.102 4.442 4.340 -0.000 0.000 0.231 58 R C 2.561 178.935 176.300 0.123 0.000 1.119 58 R CA 0.854 57.008 56.100 0.091 0.000 0.970 58 R CB -0.374 29.966 30.300 0.066 0.000 0.864 58 R HN 0.385 nan 8.270 nan 0.000 0.440 59 I N 0.800 121.417 120.570 0.078 0.000 2.179 59 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 59 I C 2.636 178.810 176.117 0.095 0.000 1.088 59 I CA 1.267 62.624 61.300 0.094 0.000 1.357 59 I CB -0.435 37.603 38.000 0.062 0.000 1.051 59 I HN 0.160 nan 8.210 nan 0.000 0.409 60 A N 0.053 122.927 122.820 0.090 0.000 1.933 60 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 60 A C 2.174 179.807 177.584 0.082 0.000 1.175 60 A CA 2.179 54.265 52.037 0.081 0.000 0.628 60 A CB -0.970 18.074 19.000 0.073 0.000 0.814 60 A HN 0.558 nan 8.150 nan 0.000 0.444 61 H N -0.391 118.695 119.070 0.028 0.000 2.357 61 H HA -0.047 4.509 4.556 0.000 0.000 0.301 61 H C 1.766 177.113 175.328 0.030 0.000 1.082 61 H CA 1.943 58.006 56.048 0.025 0.000 1.342 61 H CB -0.215 29.560 29.762 0.021 0.000 1.389 61 H HN 0.116 nan 8.280 nan 0.000 0.511 62 V N 0.600 120.478 119.914 -0.059 0.000 2.407 62 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 62 V C 2.266 178.308 176.094 -0.086 0.000 1.055 62 V CA 1.658 63.905 62.300 -0.089 0.000 1.049 62 V CB -0.469 31.382 31.823 0.046 0.000 0.662 62 V HN 0.398 nan 8.190 nan 0.000 0.455 63 L N 0.553 121.754 121.223 -0.037 0.000 2.627 63 L HA 0.286 4.626 4.340 -0.000 0.000 0.233 63 L C 1.630 178.472 176.870 -0.047 0.000 1.144 63 L CA 0.681 55.506 54.840 -0.025 0.000 0.892 63 L CB -0.711 41.352 42.059 0.007 0.000 1.039 63 L HN 0.516 nan 8.230 nan 0.000 0.442 64 G N 0.542 109.285 108.800 -0.095 0.000 2.305 64 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.287 64 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.287 64 G C 0.230 175.112 174.900 -0.030 0.000 1.036 64 G CA 0.763 45.811 45.100 -0.086 0.000 0.887 64 G HN 0.377 nan 8.290 nan 0.000 0.505 65 T N -1.694 112.855 114.554 -0.007 0.000 2.590 65 T HA 0.786 5.136 4.350 -0.000 0.000 0.282 65 T C 0.474 175.192 174.700 0.031 0.000 0.989 65 T CA 0.879 62.986 62.100 0.012 0.000 1.091 65 T CB 1.139 70.013 68.868 0.009 0.000 1.460 65 T HN 1.288 nan 8.240 nan 0.000 0.499 66 S N -0.279 115.440 115.700 0.032 0.000 2.704 66 S HA 0.560 5.030 4.470 -0.000 0.000 0.305 66 S C 1.404 176.031 174.600 0.044 0.000 1.107 66 S CA -0.823 57.400 58.200 0.037 0.000 0.993 66 S CB 0.670 63.888 63.200 0.029 0.000 1.110 66 S HN 0.632 nan 8.310 nan 0.000 0.534 67 I N 1.060 121.653 120.570 0.039 0.000 2.286 67 I HA -0.052 4.118 4.170 -0.000 0.000 0.248 67 I C 2.644 178.789 176.117 0.047 0.000 1.115 67 I CA 1.456 62.781 61.300 0.041 0.000 1.392 67 I CB -0.942 37.063 38.000 0.009 0.000 1.065 67 I HN 0.940 nan 8.210 nan 0.000 0.418 68 G N 0.569 109.389 108.800 0.032 0.000 2.432 68 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 68 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 68 G C 1.801 176.724 174.900 0.038 0.000 1.135 68 G CA 0.776 45.895 45.100 0.031 0.000 0.767 68 G HN 0.498 nan 8.290 nan 0.000 0.550 69 A N 0.067 122.909 122.820 0.037 0.000 2.066 69 A HA 0.285 4.605 4.320 -0.000 0.000 0.218 69 A C 2.086 179.693 177.584 0.038 0.000 1.157 69 A CA 0.686 52.742 52.037 0.031 0.000 0.670 69 A CB -0.143 18.871 19.000 0.023 0.000 0.804 69 A HN 0.369 nan 8.150 nan 0.000 0.453 70 L N 0.177 121.443 121.223 0.071 0.000 2.640 70 L HA 0.137 4.477 4.340 -0.000 0.000 0.230 70 L C 0.295 177.281 176.870 0.193 0.000 1.123 70 L CA 0.272 55.176 54.840 0.106 0.000 0.900 70 L CB -0.004 42.163 42.059 0.180 0.000 1.146 70 L HN 0.389 nan 8.230 nan 0.000 0.484 71 T N -2.253 112.378 114.554 0.128 0.000 2.863 71 T HA 0.521 4.871 4.350 -0.000 0.000 0.285 71 T C -2.611 172.130 174.700 0.069 0.000 1.009 71 T CA -2.047 60.124 62.100 0.117 0.000 0.989 71 T CB 2.037 70.948 68.868 0.071 0.000 1.004 71 T HN -0.192 nan 8.240 nan 0.000 0.455 72 P HA 0.240 nan 4.420 nan 0.000 0.270 72 P C -2.119 175.200 177.300 0.031 0.000 1.223 72 P CA -0.829 62.297 63.100 0.043 0.000 0.785 72 P CB -0.514 31.212 31.700 0.044 0.000 0.923 73 P HA 0.062 nan 4.420 nan 0.000 0.275 73 P C 0.872 178.182 177.300 0.018 0.000 1.270 73 P CA -0.269 62.843 63.100 0.020 0.000 0.791 73 P CB 0.182 31.892 31.700 0.017 0.000 1.089 74 A N 0.080 122.909 122.820 0.015 0.000 1.903 74 A HA 0.145 4.465 4.320 -0.000 0.000 0.219 74 A C 1.194 178.786 177.584 0.013 0.000 1.191 74 A CA 2.194 54.239 52.037 0.013 0.000 0.638 74 A CB -1.524 17.484 19.000 0.013 0.000 0.823 74 A HN 1.056 nan 8.150 nan 0.000 0.451 75 G N -2.369 106.439 108.800 0.013 0.000 2.371 75 G HA2 0.164 4.124 3.960 -0.000 0.000 0.663 75 G HA3 0.164 4.124 3.960 -0.000 0.000 0.663 75 G C -1.092 173.815 174.900 0.011 0.000 1.311 75 G CA -0.093 45.014 45.100 0.013 0.000 0.985 75 G HN 0.632 nan 8.290 nan 0.000 0.566 76 N N 0.787 119.493 118.700 0.010 0.000 2.417 76 N HA 0.517 5.257 4.740 -0.000 0.000 0.274 76 N C -0.434 175.081 175.510 0.008 0.000 0.987 76 N CA -0.009 53.047 53.050 0.008 0.000 0.912 76 N CB 1.631 40.122 38.487 0.008 0.000 1.177 76 N HN 0.655 nan 8.380 nan 0.000 0.490 77 D N 2.865 123.270 120.400 0.007 0.000 2.599 77 D HA 0.158 4.798 4.640 -0.000 0.000 0.249 77 D C 0.078 176.381 176.300 0.005 0.000 1.313 77 D CA -0.077 53.927 54.000 0.006 0.000 0.815 77 D CB -0.215 40.589 40.800 0.007 0.000 1.077 77 D HN 0.277 nan 8.370 nan 0.000 0.492 78 L N -0.094 121.132 121.223 0.004 0.000 2.387 78 L HA 0.481 4.821 4.340 -0.000 0.000 0.266 78 L C -0.188 176.683 176.870 0.001 0.000 1.059 78 L CA -0.935 53.906 54.840 0.002 0.000 0.801 78 L CB 1.142 43.202 42.059 0.001 0.000 1.223 78 L HN -0.161 nan 8.230 nan 0.000 0.456 79 D N 0.559 120.959 120.400 0.000 0.000 2.462 79 D HA 0.189 4.829 4.640 -0.000 0.000 0.249 79 D C -0.675 175.624 176.300 -0.002 0.000 1.117 79 D CA -0.290 53.710 54.000 -0.000 0.000 0.900 79 D CB 0.341 41.141 40.800 -0.000 0.000 1.039 79 D HN 0.476 nan 8.370 nan 0.000 0.516 80 D N 2.942 123.341 120.400 -0.002 0.000 2.800 80 D HA -0.129 4.511 4.640 -0.000 0.000 0.232 80 D C 1.073 177.370 176.300 -0.004 0.000 1.137 80 D CA 1.762 55.760 54.000 -0.003 0.000 0.718 80 D CB -1.116 39.682 40.800 -0.003 0.000 1.084 80 D HN 0.811 nan 8.370 nan 0.000 0.432 81 G N -2.629 106.169 108.800 -0.004 0.000 2.176 81 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.253 81 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.253 81 G C 0.274 175.170 174.900 -0.007 0.000 0.979 81 G CA 0.193 45.289 45.100 -0.005 0.000 0.641 81 G HN 0.789 nan 8.290 nan 0.000 0.530 82 V N 0.634 120.544 119.914 -0.006 0.000 2.876 82 V HA 0.837 4.957 4.120 -0.000 0.000 0.312 82 V C -0.150 175.942 176.094 -0.004 0.000 1.085 82 V CA -0.696 61.599 62.300 -0.007 0.000 0.945 82 V CB 2.368 34.186 31.823 -0.009 0.000 1.017 82 V HN 0.487 nan 8.190 nan 0.000 0.428 83 I N 3.838 124.406 120.570 -0.004 0.000 2.607 83 I HA 0.623 4.793 4.170 -0.000 0.000 0.290 83 I C -1.504 174.612 176.117 -0.002 0.000 1.129 83 I CA -0.405 60.894 61.300 -0.001 0.000 1.042 83 I CB 1.617 39.618 38.000 0.002 0.000 1.242 83 I HN 0.570 nan 8.210 nan 0.000 0.421 84 I N 6.486 127.056 120.570 -0.000 0.000 2.646 84 I HA 0.438 4.608 4.170 -0.000 0.000 0.299 84 I C -0.849 175.270 176.117 0.003 0.000 1.036 84 I CA -0.585 60.715 61.300 -0.000 0.000 1.074 84 I CB 2.046 40.044 38.000 -0.002 0.000 1.258 84 I HN 0.516 nan 8.210 nan 0.000 0.430 85 Q N 5.996 125.799 119.800 0.004 0.000 2.304 85 Q HA 0.460 4.800 4.340 -0.000 0.000 0.270 85 Q C -1.567 174.437 176.000 0.007 0.000 1.035 85 Q CA -0.898 54.910 55.803 0.008 0.000 0.781 85 Q CB 1.931 30.676 28.738 0.012 0.000 1.261 85 Q HN 0.498 nan 8.270 nan 0.000 0.444 86 M N 4.747 124.352 119.600 0.007 0.000 2.274 86 M HA 0.253 4.733 4.480 -0.000 0.000 0.344 86 M C -1.624 174.682 176.300 0.010 0.000 1.161 86 M CA -2.482 52.822 55.300 0.007 0.000 1.126 86 M CB 0.475 33.078 32.600 0.006 0.000 1.522 86 M HN 0.494 nan 8.290 nan 0.000 0.461 87 P HA -0.173 nan 4.420 nan 0.000 0.226 87 P C 0.252 177.560 177.300 0.013 0.000 1.146 87 P CA 1.378 64.486 63.100 0.013 0.000 0.773 87 P CB 0.097 31.804 31.700 0.011 0.000 0.772 88 D N 0.469 120.875 120.400 0.011 0.000 2.289 88 D HA -0.073 4.567 4.640 -0.000 0.000 0.207 88 D C 1.447 177.755 176.300 0.013 0.000 0.966 88 D CA 0.773 54.779 54.000 0.011 0.000 0.868 88 D CB -0.093 40.713 40.800 0.009 0.000 0.943 88 D HN 0.431 nan 8.370 nan 0.000 0.514 89 E N 0.769 120.977 120.200 0.013 0.000 2.478 89 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 89 E C 0.259 176.870 176.600 0.019 0.000 1.045 89 E CA -0.147 56.262 56.400 0.014 0.000 0.868 89 E CB 0.174 29.881 29.700 0.013 0.000 0.885 89 E HN 0.136 nan 8.360 nan 0.000 0.505 90 R N 3.292 123.804 120.500 0.022 0.000 2.473 90 R HA 0.045 4.385 4.340 -0.000 0.000 0.315 90 R C -2.106 174.213 176.300 0.032 0.000 0.972 90 R CA -0.813 55.304 56.100 0.028 0.000 1.047 90 R CB -0.328 29.991 30.300 0.031 0.000 0.932 90 R HN 0.044 nan 8.270 nan 0.000 0.411 91 P HA 0.168 nan 4.420 nan 0.000 0.279 91 P C -0.411 176.920 177.300 0.052 0.000 1.239 91 P CA 0.012 63.134 63.100 0.036 0.000 0.789 91 P CB 1.007 32.725 31.700 0.031 0.000 0.933 92 I N 2.862 123.464 120.570 0.054 0.000 2.530 92 I HA 0.456 4.626 4.170 -0.000 0.000 0.297 92 I C 0.025 176.195 176.117 0.089 0.000 1.011 92 I CA -1.036 60.309 61.300 0.075 0.000 1.107 92 I CB 2.220 40.255 38.000 0.058 0.000 1.285 92 I HN 0.195 nan 8.210 nan 0.000 0.436 93 L N 5.905 127.214 121.223 0.142 0.000 2.409 93 L HA 0.497 4.837 4.340 -0.000 0.000 0.272 93 L C -1.113 175.907 176.870 0.249 0.000 0.980 93 L CA -0.628 54.308 54.840 0.160 0.000 0.826 93 L CB 1.740 43.876 42.059 0.128 0.000 1.268 93 L HN 0.596 nan 8.230 nan 0.000 0.407 94 K N 3.137 123.643 120.400 0.177 0.000 2.159 94 K HA 0.462 4.782 4.320 -0.000 0.000 0.266 94 K C 0.252 176.980 176.600 0.213 0.000 0.975 94 K CA -0.484 55.905 56.287 0.170 0.000 0.865 94 K CB 1.709 34.265 32.500 0.093 0.000 1.087 94 K HN 0.743 nan 8.250 nan 0.000 0.446 95 G N 2.396 111.360 108.800 0.273 0.000 3.515 95 G HA2 0.241 4.201 3.960 -0.000 0.000 0.288 95 G HA3 0.241 4.201 3.960 -0.000 0.000 0.288 95 G C 0.035 175.058 174.900 0.205 0.000 1.012 95 G CA -0.403 44.872 45.100 0.291 0.000 1.689 95 G HN 0.313 nan 8.290 nan 0.000 0.572 96 V N 0.469 120.462 119.914 0.132 0.000 2.963 96 V HA 0.684 4.804 4.120 -0.000 0.000 0.306 96 V C 0.901 177.048 176.094 0.088 0.000 1.077 96 V CA 0.143 62.498 62.300 0.092 0.000 1.124 96 V CB 0.500 32.360 31.823 0.063 0.000 0.987 96 V HN 0.892 nan 8.190 nan 0.000 0.487 102 Y N -0.493 119.800 120.300 -0.013 0.000 2.576 102 Y HA 0.656 5.206 4.550 -0.000 0.000 0.282 102 Y C 0.657 176.302 175.900 -0.425 0.000 1.139 102 Y CA 0.545 58.561 58.100 -0.141 0.000 1.265 102 Y CB 0.614 39.146 38.460 0.120 0.000 1.376 102 Y HN 0.481 nan 8.280 nan 0.000 0.511 103 Y N -1.370 118.882 120.300 -0.079 0.000 2.553 103 Y HA 0.658 5.208 4.550 -0.000 0.000 0.347 103 Y C -0.930 174.796 175.900 -0.290 0.000 1.019 103 Y CA -2.311 55.647 58.100 -0.237 0.000 1.032 103 Y CB 2.252 40.489 38.460 -0.372 0.000 1.284 103 Y HN -0.019 nan 8.280 nan 0.000 0.466 104 V N 2.662 122.434 119.914 -0.236 0.000 2.483 104 V HA 0.356 4.476 4.120 -0.000 0.000 0.297 104 V C -1.420 174.500 176.094 -0.289 0.000 1.027 104 V CA -1.185 61.018 62.300 -0.161 0.000 0.855 104 V CB 1.043 32.823 31.823 -0.073 0.000 0.995 104 V HN 0.597 nan 8.190 nan 0.000 0.424 105 Y N 3.553 123.893 120.300 0.067 0.000 2.385 105 Y HA 0.426 4.976 4.550 -0.000 0.000 0.341 105 Y C 0.825 176.746 175.900 0.035 0.000 0.965 105 Y CA -0.653 57.476 58.100 0.049 0.000 1.180 105 Y CB 0.894 39.377 38.460 0.039 0.000 1.139 105 Y HN 0.533 nan 8.280 nan 0.000 0.502 106 N N 3.691 122.469 118.700 0.130 0.000 2.589 106 N HA 0.177 4.917 4.740 -0.000 0.000 0.232 106 N C -1.043 174.524 175.510 0.095 0.000 1.015 106 N CA -0.232 52.871 53.050 0.088 0.000 0.931 106 N CB 0.882 39.398 38.487 0.048 0.000 1.150 106 N HN 0.516 nan 8.380 nan 0.000 0.512 107 C N 2.838 122.194 119.300 0.094 0.000 2.648 107 C HA 0.227 4.687 4.460 -0.000 0.000 0.415 107 C C 1.463 176.487 174.990 0.056 0.000 1.366 107 C CA -0.529 58.535 59.018 0.076 0.000 1.756 107 C CB -1.063 26.713 27.740 0.060 0.000 2.549 107 C HN 0.517 nan 8.230 nan 0.000 0.597 108 L N 2.863 124.119 121.223 0.055 0.000 2.635 108 L HA 0.481 4.821 4.340 -0.000 0.000 0.250 108 L C 0.652 177.543 176.870 0.035 0.000 1.117 108 L CA -0.690 54.175 54.840 0.042 0.000 0.834 108 L CB 0.053 42.138 42.059 0.044 0.000 1.544 108 L HN 0.391 nan 8.230 nan 0.000 0.511 109 V N 1.253 121.183 119.914 0.027 0.000 2.814 109 V HA 0.008 4.128 4.120 -0.000 0.000 0.307 109 V C 0.165 176.273 176.094 0.025 0.000 1.089 109 V CA 0.621 62.934 62.300 0.021 0.000 1.212 109 V CB 0.202 32.033 31.823 0.014 0.000 0.912 109 V HN 0.610 nan 8.190 nan 0.000 0.497 110 R N 3.231 123.744 120.500 0.022 0.000 2.867 110 R HA 0.696 5.036 4.340 -0.000 0.000 0.268 110 R C -1.015 175.296 176.300 0.018 0.000 1.014 110 R CA -0.661 55.453 56.100 0.023 0.000 0.946 110 R CB 2.220 32.534 30.300 0.024 0.000 1.208 110 R HN 0.704 nan 8.270 nan 0.000 0.477 111 T N -0.368 114.198 114.554 0.019 0.000 2.982 111 T HA 0.217 4.567 4.350 -0.000 0.000 0.321 111 T C 0.023 174.734 174.700 0.017 0.000 1.229 111 T CA -0.700 61.410 62.100 0.016 0.000 1.044 111 T CB 1.517 70.392 68.868 0.013 0.000 1.184 111 T HN 0.556 nan 8.240 nan 0.000 0.477 112 K N 1.883 122.291 120.400 0.014 0.000 2.442 112 K HA 0.068 4.388 4.320 -0.000 0.000 0.198 112 K C 1.706 178.315 176.600 0.015 0.000 1.042 112 K CA 0.434 56.729 56.287 0.014 0.000 0.958 112 K CB 0.140 32.647 32.500 0.012 0.000 0.766 112 K HN 0.319 nan 8.250 nan 0.000 0.474 113 R N 0.015 120.523 120.500 0.015 0.000 2.310 113 R HA 0.099 4.439 4.340 -0.000 0.000 0.202 113 R C 0.338 176.649 176.300 0.019 0.000 0.933 113 R CA 0.285 56.394 56.100 0.015 0.000 1.054 113 R CB 0.619 30.925 30.300 0.011 0.000 0.985 113 R HN 0.020 nan 8.270 nan 0.000 0.489 114 A N 0.670 123.505 122.820 0.024 0.000 3.399 114 A HA 0.370 4.689 4.320 -0.000 0.000 0.262 114 A C -2.215 175.392 177.584 0.039 0.000 1.145 114 A CA -0.821 51.237 52.037 0.035 0.000 0.916 114 A CB 0.818 19.841 19.000 0.037 0.000 1.360 114 A HN -0.118 nan 8.150 nan 0.000 0.628 115 P HA -0.225 nan 4.420 nan 0.000 0.217 115 P C 1.747 179.067 177.300 0.033 0.000 1.148 115 P CA 2.225 65.341 63.100 0.027 0.000 0.834 115 P CB 0.227 31.939 31.700 0.020 0.000 0.783 116 S N -1.612 114.113 115.700 0.043 0.000 2.522 116 S HA -0.027 4.443 4.470 -0.000 0.000 0.227 116 S C 0.802 175.450 174.600 0.080 0.000 0.986 116 S CA -0.125 58.104 58.200 0.047 0.000 0.929 116 S CB -1.078 62.148 63.200 0.043 0.000 0.769 116 S HN 0.013 nan 8.310 nan 0.000 0.529 117 L N 2.930 124.207 121.223 0.090 0.000 2.385 117 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 117 L C -0.908 176.009 176.870 0.080 0.000 1.106 117 L CA 0.064 54.969 54.840 0.108 0.000 0.856 117 L CB 0.660 42.768 42.059 0.082 0.000 1.186 117 L HN 0.107 nan 8.230 nan 0.000 0.453 118 V N 8.206 128.175 119.914 0.092 0.000 2.380 118 V HA 0.411 4.531 4.120 -0.000 0.000 0.268 118 V C -2.204 173.942 176.094 0.088 0.000 1.008 118 V CA -0.950 61.392 62.300 0.069 0.000 0.823 118 V CB 1.057 32.908 31.823 0.046 0.000 1.053 118 V HN 0.707 nan 8.190 nan 0.000 0.446 119 P HA 0.712 nan 4.420 nan 0.000 0.287 119 P C -1.178 176.174 177.300 0.087 0.000 1.270 119 P CA -0.472 62.684 63.100 0.093 0.000 0.844 119 P CB 2.477 34.224 31.700 0.079 0.000 1.068 120 L N 0.505 121.787 121.223 0.098 0.000 2.568 120 L HA 0.546 4.886 4.340 -0.000 0.000 0.257 120 L C -0.735 176.186 176.870 0.084 0.000 1.024 120 L CA -1.298 53.604 54.840 0.105 0.000 0.854 120 L CB 2.026 44.181 42.059 0.161 0.000 1.460 120 L HN -0.000 nan 8.230 nan 0.000 0.409 121 V N 1.915 121.872 119.914 0.071 0.000 2.384 121 V HA 0.443 4.563 4.120 -0.000 0.000 0.287 121 V C -0.386 175.717 176.094 0.015 0.000 1.020 121 V CA -0.572 61.750 62.300 0.037 0.000 0.850 121 V CB 1.937 33.777 31.823 0.029 0.000 0.987 121 V HN 0.425 nan 8.190 nan 0.000 0.436 122 V N 4.369 124.268 119.914 -0.025 0.000 2.347 122 V HA 0.407 4.527 4.120 -0.000 0.000 0.280 122 V C -0.356 175.675 176.094 -0.104 0.000 1.021 122 V CA -0.793 61.453 62.300 -0.091 0.000 0.847 122 V CB 1.618 33.397 31.823 -0.074 0.000 0.990 122 V HN 0.770 nan 8.190 nan 0.000 0.444 123 D N 3.891 124.213 120.400 -0.129 0.000 2.295 123 D HA 0.288 4.928 4.640 -0.000 0.000 0.248 123 D C -0.241 175.966 176.300 -0.155 0.000 1.154 123 D CA -0.066 53.864 54.000 -0.117 0.000 0.857 123 D CB 2.178 42.917 40.800 -0.103 0.000 1.117 123 D HN 0.265 nan 8.370 nan 0.000 0.468 124 V N 4.255 124.078 119.914 -0.153 0.000 2.320 124 V HA 0.097 4.217 4.120 -0.000 0.000 0.265 124 V C 1.476 177.418 176.094 -0.254 0.000 1.048 124 V CA -0.316 61.840 62.300 -0.241 0.000 0.865 124 V CB 0.784 32.538 31.823 -0.114 0.000 1.043 124 V HN 0.452 nan 8.190 nan 0.000 0.474 125 L N 2.585 123.600 121.223 -0.347 0.000 2.446 125 L HA 0.134 4.474 4.340 -0.000 0.000 0.219 125 L C 1.335 178.079 176.870 -0.210 0.000 1.116 125 L CA 0.642 55.340 54.840 -0.237 0.000 0.844 125 L CB -0.029 41.905 42.059 -0.209 0.000 0.970 125 L HN 0.661 nan 8.230 nan 0.000 0.457 126 T N -0.026 114.363 114.554 -0.275 0.000 2.867 126 T HA 0.207 4.557 4.350 -0.000 0.000 0.282 126 T C 0.020 174.647 174.700 -0.121 0.000 1.000 126 T CA -0.695 61.297 62.100 -0.180 0.000 1.042 126 T CB 1.115 69.870 68.868 -0.187 0.000 0.973 126 T HN 0.282 nan 8.240 nan 0.000 0.465 127 D N 3.123 123.477 120.400 -0.078 0.000 2.623 127 D HA 0.073 4.713 4.640 -0.000 0.000 0.252 127 D C -0.002 176.270 176.300 -0.046 0.000 1.294 127 D CA -0.379 53.591 54.000 -0.051 0.000 0.824 127 D CB -0.513 40.264 40.800 -0.038 0.000 1.070 127 D HN 0.590 nan 8.370 nan 0.000 0.487 128 N N 1.298 119.965 118.700 -0.055 0.000 2.626 128 N HA 0.197 4.937 4.740 -0.000 0.000 0.242 128 N C -1.990 173.473 175.510 -0.078 0.000 1.005 128 N CA -1.771 51.246 53.050 -0.055 0.000 0.905 128 N CB 1.694 40.158 38.487 -0.038 0.000 1.128 128 N HN -0.315 nan 8.380 nan 0.000 0.512 129 P HA -0.194 nan 4.420 nan 0.000 0.216 129 P C 0.375 177.592 177.300 -0.138 0.000 1.154 129 P CA 1.235 64.178 63.100 -0.262 0.000 0.865 129 P CB 0.221 31.624 31.700 -0.496 0.000 0.789 130 D N -1.245 119.106 120.400 -0.082 0.000 2.309 130 D HA -0.147 4.493 4.640 -0.000 0.000 0.212 130 D C 0.903 177.205 176.300 0.003 0.000 0.968 130 D CA 1.021 55.005 54.000 -0.027 0.000 0.882 130 D CB -0.406 40.382 40.800 -0.019 0.000 0.918 130 D HN 0.221 nan 8.370 nan 0.000 0.503 131 D N 0.201 120.600 120.400 -0.000 0.000 2.395 131 D HA 0.174 4.814 4.640 -0.000 0.000 0.226 131 D C -0.462 175.878 176.300 0.068 0.000 1.146 131 D CA -0.198 53.819 54.000 0.029 0.000 0.830 131 D CB -0.042 40.765 40.800 0.013 0.000 0.958 131 D HN -0.052 nan 8.370 nan 0.000 0.501 132 A N 0.146 123.010 122.820 0.074 0.000 2.289 132 A HA 0.645 4.965 4.320 -0.000 0.000 0.298 132 A C 0.298 177.978 177.584 0.160 0.000 1.208 132 A CA -0.588 51.516 52.037 0.111 0.000 0.845 132 A CB 0.534 19.566 19.000 0.054 0.000 1.125 132 A HN 0.196 nan 8.150 nan 0.000 0.517 133 K N 2.611 123.100 120.400 0.150 0.000 2.274 133 K HA 0.641 4.961 4.320 -0.000 0.000 0.262 133 K C -0.788 175.903 176.600 0.153 0.000 0.961 133 K CA -0.656 55.741 56.287 0.183 0.000 0.833 133 K CB 0.488 33.057 32.500 0.115 0.000 1.102 133 K HN 0.531 nan 8.250 nan 0.000 0.436 134 F N 1.952 121.870 119.950 -0.053 0.000 2.572 134 F HA 0.117 4.644 4.527 -0.000 0.000 0.370 134 F C 1.609 177.337 175.800 -0.120 0.000 1.103 134 F CA 0.238 58.184 58.000 -0.090 0.000 1.286 134 F CB 1.104 40.078 39.000 -0.043 0.000 1.105 134 F HN 0.887 nan 8.300 nan 0.000 0.583 135 N N 0.718 119.356 118.700 -0.104 0.000 2.426 135 N HA 0.089 4.829 4.740 -0.000 0.000 0.205 135 N C 0.186 175.668 175.510 -0.047 0.000 1.040 135 N CA 1.175 54.147 53.050 -0.130 0.000 0.990 135 N CB 0.281 38.598 38.487 -0.284 0.000 1.215 135 N HN 0.636 nan 8.380 nan 0.000 0.491 142 E N 0.574 120.531 120.200 -0.406 0.000 2.335 142 E HA 0.464 4.814 4.350 -0.000 0.000 0.280 142 E C -1.739 174.940 176.600 0.133 0.000 0.918 142 E CA -0.542 55.842 56.400 -0.028 0.000 0.765 142 E CB 1.923 31.567 29.700 -0.094 0.000 1.218 142 E HN 0.348 nan 8.360 nan 0.000 0.425 143 F N 4.952 125.048 119.950 0.243 0.000 2.469 143 F HA 0.662 5.189 4.527 -0.000 0.000 0.332 143 F C -1.933 173.939 175.800 0.120 0.000 1.103 143 F CA -0.470 57.658 58.000 0.213 0.000 0.979 143 F CB 0.821 39.947 39.000 0.211 0.000 1.137 143 F HN 0.387 nan 8.300 nan 0.000 0.463 144 L N 5.961 126.610 121.223 -0.955 0.000 2.350 144 L HA 0.613 4.953 4.340 -0.000 0.000 0.260 144 L C -1.606 174.771 176.870 -0.823 0.000 1.015 144 L CA -0.759 53.647 54.840 -0.723 0.000 0.821 144 L CB 2.206 44.044 42.059 -0.368 0.000 1.370 144 L HN 0.671 nan 8.230 nan 0.000 0.416 145 F N 0.905 120.514 119.950 -0.569 0.000 2.573 145 F HA 0.610 5.137 4.527 -0.000 0.000 0.316 145 F C -0.912 174.768 175.800 -0.200 0.000 1.148 145 F CA -0.830 56.978 58.000 -0.320 0.000 0.940 145 F CB 1.544 40.458 39.000 -0.143 0.000 1.214 145 F HN 0.072 nan 8.300 nan 0.000 0.448 146 V N 8.217 127.707 119.914 -0.707 0.000 2.397 146 V HA 0.053 4.173 4.120 -0.000 0.000 0.262 146 V C 1.177 176.921 176.094 -0.582 0.000 1.047 146 V CA 0.272 62.264 62.300 -0.513 0.000 1.003 146 V CB 0.585 32.171 31.823 -0.395 0.000 1.037 146 V HN 0.947 nan 8.190 nan 0.000 0.480 147 L N 3.452 124.536 121.223 -0.231 0.000 2.044 147 L HA 0.125 4.465 4.340 -0.000 0.000 0.205 147 L C 1.035 177.864 176.870 -0.067 0.000 1.075 147 L CA 1.437 56.250 54.840 -0.044 0.000 0.747 147 L CB 0.296 42.389 42.059 0.057 0.000 0.903 147 L HN 0.661 nan 8.230 nan 0.000 0.435 148 E N -2.411 117.737 120.200 -0.086 0.000 2.383 148 E HA 0.459 4.809 4.350 -0.000 0.000 0.275 148 E C -0.317 176.237 176.600 -0.077 0.000 0.918 148 E CA -0.112 56.249 56.400 -0.066 0.000 0.764 148 E CB 2.135 31.812 29.700 -0.038 0.000 1.252 148 E HN 0.172 nan 8.360 nan 0.000 0.449 149 G N 1.575 110.339 108.800 -0.060 0.000 2.645 149 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 149 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 149 G C -0.742 174.124 174.900 -0.056 0.000 1.322 149 G CA -0.293 44.777 45.100 -0.051 0.000 0.898 149 G HN 0.526 nan 8.290 nan 0.000 0.573 150 E N -0.494 119.686 120.200 -0.033 0.000 2.187 150 E HA 0.568 4.918 4.350 -0.000 0.000 0.268 150 E C -0.199 176.406 176.600 0.009 0.000 0.896 150 E CA -0.903 55.486 56.400 -0.019 0.000 0.766 150 E CB 1.790 31.490 29.700 0.001 0.000 1.142 150 E HN 0.368 nan 8.360 nan 0.000 0.408 151 I N 2.145 122.726 120.570 0.019 0.000 2.412 151 I HA 0.198 4.368 4.170 -0.000 0.000 0.296 151 I C -0.364 175.852 176.117 0.165 0.000 0.987 151 I CA -0.508 60.845 61.300 0.089 0.000 1.180 151 I CB 1.372 39.406 38.000 0.056 0.000 1.340 151 I HN 0.644 nan 8.210 nan 0.000 0.455 152 H N 6.639 125.786 119.070 0.129 0.000 2.638 152 H HA 0.432 4.988 4.556 0.000 0.000 0.303 152 H C -0.694 174.735 175.328 0.168 0.000 1.034 152 H CA -0.496 55.625 56.048 0.122 0.000 1.225 152 H CB 1.165 30.975 29.762 0.079 0.000 1.394 152 H HN 0.554 nan 8.280 nan 0.000 0.477 153 M N 5.283 125.035 119.600 0.253 0.000 2.300 153 M HA 0.380 4.860 4.480 -0.000 0.000 0.348 153 M C -1.393 175.046 176.300 0.232 0.000 1.151 153 M CA -0.502 54.930 55.300 0.219 0.000 1.046 153 M CB 0.660 33.410 32.600 0.249 0.000 1.647 153 M HN 0.581 nan 8.290 nan 0.000 0.451 154 K N 4.803 125.246 120.400 0.072 0.000 2.427 154 K HA 0.596 4.916 4.320 -0.000 0.000 0.252 154 K C -1.828 174.747 176.600 -0.040 0.000 0.931 154 K CA -0.573 55.730 56.287 0.027 0.000 0.793 154 K CB 2.407 34.886 32.500 -0.035 0.000 1.211 154 K HN 0.819 nan 8.250 nan 0.000 0.426 155 W N 0.243 121.491 121.300 -0.087 0.000 3.066 155 W HA 0.602 5.262 4.660 -0.000 0.000 0.330 155 W C -0.036 176.633 176.519 0.251 0.000 1.253 155 W CA -0.094 57.266 57.345 0.025 0.000 1.187 155 W CB 0.227 29.657 29.460 -0.050 0.000 1.434 155 W HN 0.845 nan 8.180 nan 0.000 0.572 156 G N 1.329 110.401 108.800 0.453 0.000 3.035 156 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.242 156 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.242 156 G C -0.933 174.066 174.900 0.165 0.000 1.524 156 G CA 0.247 45.483 45.100 0.227 0.000 1.038 156 G HN 0.737 nan 8.290 nan 0.000 0.561 157 D N 3.514 123.928 120.400 0.023 0.000 2.347 157 D HA 0.599 5.239 4.640 -0.000 0.000 0.235 157 D C 1.017 177.124 176.300 -0.321 0.000 1.149 157 D CA 0.787 54.722 54.000 -0.108 0.000 0.850 157 D CB 1.112 41.858 40.800 -0.091 0.000 1.061 157 D HN 0.837 nan 8.370 nan 0.000 0.487 163 E N 0.003 119.898 120.200 -0.508 0.000 2.458 163 E HA 0.880 5.230 4.350 -0.000 0.000 0.278 163 E C -1.634 174.925 176.600 -0.069 0.000 1.004 163 E CA -1.419 54.864 56.400 -0.195 0.000 0.823 163 E CB 2.273 31.954 29.700 -0.031 0.000 1.396 163 E HN 0.586 nan 8.360 nan 0.000 0.463 164 A N 0.613 123.429 122.820 -0.007 0.000 2.594 164 A HA 0.531 4.851 4.320 -0.000 0.000 0.296 164 A C -2.096 175.422 177.584 -0.109 0.000 1.056 164 A CA -0.781 51.262 52.037 0.009 0.000 0.693 164 A CB 1.198 20.329 19.000 0.217 0.000 1.278 164 A HN 0.322 nan 8.150 nan 0.000 0.408 165 L N 1.606 122.767 121.223 -0.105 0.000 2.272 165 L HA 0.619 4.959 4.340 -0.000 0.000 0.289 165 L C -0.569 176.289 176.870 -0.020 0.000 1.032 165 L CA 0.145 54.933 54.840 -0.087 0.000 0.810 165 L CB 1.130 43.142 42.059 -0.078 0.000 1.205 165 L HN 0.593 nan 8.230 nan 0.000 0.422 166 L N 6.077 127.298 121.223 -0.004 0.000 2.333 166 L HA 0.614 4.954 4.340 -0.000 0.000 0.280 166 L C -2.150 174.693 176.870 -0.046 0.000 1.004 166 L CA -1.709 53.120 54.840 -0.019 0.000 0.820 166 L CB 1.736 43.785 42.059 -0.017 0.000 1.247 166 L HN 0.406 nan 8.230 nan 0.000 0.416 167 P HA 0.134 nan 4.420 nan 0.000 0.276 167 P C -0.390 176.834 177.300 -0.127 0.000 1.261 167 P CA -0.401 62.657 63.100 -0.069 0.000 0.800 167 P CB 0.609 32.280 31.700 -0.047 0.000 1.066 168 T N 0.289 114.766 114.554 -0.128 0.000 2.908 168 T HA 0.324 4.674 4.350 -0.000 0.000 0.301 168 T C 1.360 175.919 174.700 -0.235 0.000 1.019 168 T CA 1.594 63.578 62.100 -0.194 0.000 1.152 168 T CB -0.508 68.288 68.868 -0.121 0.000 0.966 168 T HN 0.837 nan 8.240 nan 0.000 0.540 169 G N 1.624 110.135 108.800 -0.481 0.000 2.213 169 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.236 169 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.236 169 G C 0.283 174.999 174.900 -0.307 0.000 0.991 169 G CA -0.086 44.761 45.100 -0.422 0.000 0.629 169 G HN 1.154 nan 8.290 nan 0.000 0.517 170 A N 0.164 122.805 122.820 -0.298 0.000 2.351 170 A HA 0.804 5.124 4.320 -0.000 0.000 0.257 170 A C 0.737 178.242 177.584 -0.132 0.000 1.087 170 A CA 1.013 52.970 52.037 -0.133 0.000 0.798 170 A CB 0.663 19.602 19.000 -0.102 0.000 1.033 170 A HN 1.974 nan 8.150 nan 0.000 0.488 171 S N 1.527 117.246 115.700 0.031 0.000 2.599 171 S HA 0.877 5.347 4.470 -0.000 0.000 0.294 171 S C -0.489 174.120 174.600 0.015 0.000 1.094 171 S CA -0.721 57.515 58.200 0.060 0.000 0.931 171 S CB 1.611 65.030 63.200 0.365 0.000 1.093 171 S HN 1.146 nan 8.310 nan 0.000 0.488 172 M N 0.897 120.448 119.600 -0.082 0.000 2.569 172 M HA 0.653 5.133 4.480 -0.000 0.000 0.279 172 M C -2.048 174.292 176.300 0.067 0.000 1.253 172 M CA -0.678 54.613 55.300 -0.016 0.000 0.867 172 M CB 1.108 33.652 32.600 -0.094 0.000 1.727 172 M HN 0.800 nan 8.290 nan 0.000 0.467 173 F N 1.511 121.441 119.950 -0.032 0.000 2.507 173 F HA 0.768 5.295 4.527 0.000 0.000 0.325 173 F C -1.826 173.903 175.800 -0.118 0.000 1.116 173 F CA -0.678 57.337 58.000 0.026 0.000 0.930 173 F CB 1.592 40.654 39.000 0.104 0.000 1.146 173 F HN 0.412 nan 8.300 nan 0.000 0.447 174 V N 5.772 125.115 119.914 -0.950 0.000 2.409 174 V HA 0.299 4.419 4.120 -0.000 0.000 0.291 174 V C -0.050 175.402 176.094 -1.069 0.000 1.020 174 V CA -0.878 60.912 62.300 -0.850 0.000 0.848 174 V CB 1.370 32.741 31.823 -0.754 0.000 0.990 174 V HN 0.834 nan 8.190 nan 0.000 0.430 175 E N 2.993 122.791 120.200 -0.670 0.000 2.392 175 E HA 0.186 4.536 4.350 -0.000 0.000 0.256 175 E C 0.310 176.736 176.600 -0.289 0.000 1.145 175 E CA -0.456 55.718 56.400 -0.377 0.000 0.929 175 E CB 0.779 30.482 29.700 0.005 0.000 0.998 175 E HN 0.881 nan 8.360 nan 0.000 0.442 176 E N 2.569 122.617 120.200 -0.254 0.000 2.437 176 E HA -0.172 4.178 4.350 -0.000 0.000 0.263 176 E C -0.367 176.092 176.600 -0.236 0.000 1.030 176 E CA -0.123 56.065 56.400 -0.352 0.000 0.934 176 E CB 0.269 29.666 29.700 -0.505 0.000 0.943 176 E HN 0.675 nan 8.360 nan 0.000 0.444 177 H N -1.309 117.753 119.070 -0.013 0.000 3.631 177 H HA -0.153 4.403 4.556 -0.000 0.000 0.202 177 H C -0.374 174.987 175.328 0.055 0.000 1.029 177 H CA 0.944 57.005 56.048 0.022 0.000 1.208 177 H CB -1.997 27.777 29.762 0.020 0.000 1.124 177 H HN 0.368 nan 8.280 nan 0.000 0.329 178 V N 4.731 124.717 119.914 0.119 0.000 2.387 178 V HA 0.130 4.250 4.120 -0.000 0.000 0.260 178 V C -1.407 174.843 176.094 0.261 0.000 1.054 178 V CA -0.854 61.533 62.300 0.144 0.000 0.967 178 V CB 1.036 32.864 31.823 0.008 0.000 1.036 178 V HN 0.040 nan 8.190 nan 0.000 0.481 179 P HA 0.170 nan 4.420 nan 0.000 0.268 179 P C -0.730 176.787 177.300 0.361 0.000 1.204 179 P CA 0.464 63.764 63.100 0.332 0.000 0.768 179 P CB 0.559 32.480 31.700 0.367 0.000 0.842 180 H N 0.730 119.738 119.070 -0.103 0.000 3.042 180 H HA 0.757 5.313 4.556 0.000 0.000 0.346 180 H C -2.024 172.890 175.328 -0.690 0.000 1.294 180 H CA -1.209 54.550 56.048 -0.482 0.000 1.141 180 H CB 1.203 30.733 29.762 -0.387 0.000 1.872 180 H HN 0.540 nan 8.280 nan 0.000 0.541 181 A N 1.752 124.028 122.820 -0.906 0.000 2.475 181 A HA 0.692 5.012 4.320 -0.000 0.000 0.301 181 A C -1.808 175.457 177.584 -0.530 0.000 1.059 181 A CA -0.696 50.951 52.037 -0.649 0.000 0.710 181 A CB 1.473 20.155 19.000 -0.529 0.000 1.288 181 A HN 0.435 nan 8.150 nan 0.000 0.408 182 F N 0.283 120.258 119.950 0.042 0.000 2.546 182 F HA 0.779 5.306 4.527 -0.000 0.000 0.320 182 F C 0.650 176.566 175.800 0.194 0.000 1.076 182 F CA -0.183 57.902 58.000 0.141 0.000 0.928 182 F CB 3.094 42.191 39.000 0.163 0.000 1.189 182 F HN 0.540 nan 8.300 nan 0.000 0.465 183 T N 1.072 115.827 114.554 0.335 0.000 2.885 183 T HA 0.623 4.973 4.350 -0.000 0.000 0.322 183 T C -0.980 173.797 174.700 0.128 0.000 1.387 183 T CA -0.631 61.560 62.100 0.152 0.000 1.041 183 T CB 1.647 70.546 68.868 0.051 0.000 1.287 183 T HN 0.741 nan 8.240 nan 0.000 0.491 184 A N 1.542 124.382 122.820 0.034 0.000 2.366 184 A HA 0.769 5.089 4.320 -0.000 0.000 0.249 184 A C 0.742 178.362 177.584 0.061 0.000 1.084 184 A CA -0.075 51.980 52.037 0.031 0.000 0.794 184 A CB -0.173 18.814 19.000 -0.023 0.000 1.034 184 A HN 1.236 nan 8.150 nan 0.000 0.491 185 A N 1.111 123.975 122.820 0.073 0.000 2.565 185 A HA 0.284 4.604 4.320 -0.000 0.000 0.237 185 A C 0.713 178.328 177.584 0.052 0.000 1.053 185 A CA 0.223 52.319 52.037 0.097 0.000 0.755 185 A CB -0.216 18.825 19.000 0.067 0.000 0.980 185 A HN 0.853 nan 8.150 nan 0.000 0.506 186 K N 1.656 122.091 120.400 0.057 0.000 2.466 186 K HA 0.238 4.558 4.320 -0.000 0.000 0.278 186 K C 1.296 177.904 176.600 0.013 0.000 1.048 186 K CA 1.228 57.525 56.287 0.016 0.000 1.088 186 K CB -0.354 32.155 32.500 0.015 0.000 0.884 186 K HN 1.606 nan 8.250 nan 0.000 0.478 187 G N 2.401 111.200 108.800 -0.001 0.000 2.241 187 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.244 187 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.244 187 G C 0.775 175.671 174.900 -0.005 0.000 0.998 187 G CA 0.610 45.708 45.100 -0.003 0.000 0.621 187 G HN 0.756 nan 8.290 nan 0.000 0.519 188 T N -1.225 113.327 114.554 -0.003 0.000 3.085 188 T HA 0.417 4.767 4.350 -0.000 0.000 0.263 188 T C 2.652 177.341 174.700 -0.019 0.000 1.127 188 T CA 1.874 63.969 62.100 -0.008 0.000 1.103 188 T CB 0.169 69.035 68.868 -0.003 0.000 0.921 188 T HN 2.368 nan 8.240 nan 0.000 0.510 189 G N 1.498 110.284 108.800 -0.024 0.000 5.219 189 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.267 189 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.267 189 G C 0.330 175.199 174.900 -0.051 0.000 1.495 189 G CA 0.505 45.584 45.100 -0.035 0.000 0.988 189 G HN 1.690 nan 8.290 nan 0.000 0.707 190 S N -0.503 115.167 115.700 -0.050 0.000 2.671 190 S HA 1.030 5.500 4.470 -0.000 0.000 0.277 190 S C -0.460 174.105 174.600 -0.058 0.000 1.165 190 S CA 0.507 58.666 58.200 -0.067 0.000 0.822 190 S CB 1.805 64.961 63.200 -0.073 0.000 1.150 190 S HN 2.547 nan 8.310 nan 0.000 0.479 191 A N 0.547 123.324 122.820 -0.071 0.000 2.599 191 A HA 0.875 5.195 4.320 -0.000 0.000 0.290 191 A C -1.717 175.818 177.584 -0.081 0.000 1.101 191 A CA -0.959 51.038 52.037 -0.067 0.000 0.674 191 A CB 1.371 20.337 19.000 -0.057 0.000 1.277 191 A HN 0.817 nan 8.150 nan 0.000 0.419 192 K N -0.394 119.956 120.400 -0.085 0.000 2.469 192 K HA 0.698 5.018 4.320 -0.000 0.000 0.254 192 K C -1.712 174.822 176.600 -0.110 0.000 0.939 192 K CA -0.653 55.583 56.287 -0.085 0.000 0.812 192 K CB 2.518 34.985 32.500 -0.054 0.000 1.301 192 K HN 0.829 nan 8.250 nan 0.000 0.433 193 L N -1.303 119.851 121.223 -0.115 0.000 2.469 193 L HA 0.652 4.992 4.340 -0.000 0.000 0.256 193 L C -1.130 175.703 176.870 -0.062 0.000 1.006 193 L CA -0.819 53.939 54.840 -0.137 0.000 0.832 193 L CB 0.946 42.831 42.059 -0.289 0.000 1.421 193 L HN 0.542 nan 8.230 nan 0.000 0.410 194 I N 1.666 122.237 120.570 0.002 0.000 2.336 194 I HA 0.770 4.940 4.170 -0.000 0.000 0.292 194 I C -0.049 176.063 176.117 -0.009 0.000 0.991 194 I CA -0.600 60.731 61.300 0.052 0.000 1.227 194 I CB 1.776 39.864 38.000 0.147 0.000 1.366 194 I HN 0.905 nan 8.210 nan 0.000 0.466 195 A N 6.665 129.499 122.820 0.023 0.000 2.319 195 A HA 0.717 5.037 4.320 -0.000 0.000 0.310 195 A C -0.850 176.808 177.584 0.123 0.000 1.152 195 A CA -0.457 51.598 52.037 0.031 0.000 0.783 195 A CB 1.197 20.219 19.000 0.038 0.000 1.184 195 A HN 0.435 nan 8.150 nan 0.000 0.474 196 V N 4.843 124.880 119.914 0.205 0.000 2.304 196 V HA 0.236 4.356 4.120 -0.000 0.000 0.278 196 V C -0.275 176.026 176.094 0.344 0.000 1.018 196 V CA -0.932 61.525 62.300 0.263 0.000 0.814 196 V CB 0.932 32.939 31.823 0.307 0.000 1.021 196 V HN 0.879 nan 8.190 nan 0.000 0.440 197 N N 5.018 123.869 118.700 0.251 0.000 2.518 197 N HA 0.668 5.408 4.740 -0.000 0.000 0.283 197 N C -0.618 175.090 175.510 0.330 0.000 1.119 197 N CA 0.065 53.245 53.050 0.217 0.000 0.983 197 N CB 2.145 40.686 38.487 0.091 0.000 1.139 197 N HN 0.637 nan 8.380 nan 0.000 0.465 198 F N 0.000 119.974 119.950 0.041 0.000 2.286 198 F HA 0.000 4.527 4.527 0.000 0.000 0.279 198 F CA 0.000 58.024 58.000 0.040 0.000 1.383 198 F CB 0.000 39.032 39.000 0.054 0.000 1.145 198 F HN 0.000 nan 8.300 nan 0.000 0.574