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 3enn_1_C DATA FIRST_RESID 0 DATA SEQUENCE SMFDLTGRKA LVTGATGGLG EAIARALHAQ GAIVGLHGTR EEKLKELAAE DATA SEQUENCE LGERIFVFPA NLSDREAVKA LGQKAEEEMG GVDILVNNAG ITRDGLFVRM DATA SEQUENCE SDEDWDAVLT VNLTSVFNLT RELTHPMMRR RNGRIINITS IVGVTGNPGQ DATA SEQUENCE ANYCASKAGL IGFSKSLAQE IASRNVTVNC IAPGFIEXXX XXXXXXXXKD DATA SEQUENCE AIMGNIPMKR MGVGADIAAA VVYLASDEAA YVTGQTLHVN GGMAMI 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.573 174.600 -0.045 0.000 1.055 0 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 0 S CB 0.000 63.208 63.200 0.014 0.000 0.593 1 M N 1.612 121.176 119.600 -0.061 0.000 2.216 1 M HA 0.556 5.036 4.480 -0.000 0.000 0.356 1 M C -0.937 175.315 176.300 -0.080 0.000 1.205 1 M CA 0.026 55.186 55.300 -0.232 0.000 1.122 1 M CB -0.464 31.944 32.600 -0.320 0.000 1.571 1 M HN 0.833 nan 8.290 nan 0.000 0.464 2 F N 0.491 120.465 119.950 0.039 0.000 3.018 2 F HA -0.238 4.288 4.527 -0.000 0.000 0.287 2 F C 0.188 176.002 175.800 0.024 0.000 0.813 2 F CA 0.357 58.382 58.000 0.041 0.000 1.209 2 F CB -2.559 36.486 39.000 0.075 0.000 1.321 2 F HN 0.558 nan 8.300 nan 0.000 0.477 3 D N 1.418 121.880 120.400 0.102 0.000 2.425 3 D HA 0.313 4.953 4.640 -0.000 0.000 0.247 3 D C 0.684 177.016 176.300 0.055 0.000 1.147 3 D CA 0.265 54.304 54.000 0.064 0.000 0.879 3 D CB 0.654 41.467 40.800 0.022 0.000 1.179 3 D HN 0.371 nan 8.370 nan 0.000 0.456 4 L N 2.847 124.099 121.223 0.048 0.000 3.066 4 L HA 0.158 4.497 4.340 -0.000 0.000 0.265 4 L C 0.549 177.432 176.870 0.020 0.000 1.232 4 L CA -0.306 54.557 54.840 0.037 0.000 1.031 4 L CB 0.333 42.420 42.059 0.047 0.000 1.379 4 L HN 0.246 nan 8.230 nan 0.000 0.563 5 T N 1.021 115.582 114.554 0.011 0.000 2.871 5 T HA 0.224 4.574 4.350 -0.000 0.000 0.296 5 T C 1.312 176.018 174.700 0.010 0.000 0.998 5 T CA 1.192 63.293 62.100 0.002 0.000 1.162 5 T CB 0.832 69.698 68.868 -0.003 0.000 0.947 5 T HN 0.653 nan 8.240 nan 0.000 0.536 6 G N 3.125 111.935 108.800 0.016 0.000 2.179 6 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 6 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 6 G C 0.263 175.181 174.900 0.030 0.000 0.977 6 G CA -0.211 44.905 45.100 0.027 0.000 0.641 6 G HN 0.658 nan 8.290 nan 0.000 0.533 7 R N 0.549 121.066 120.500 0.029 0.000 2.389 7 R HA 0.577 4.917 4.340 -0.000 0.000 0.295 7 R C 0.099 176.426 176.300 0.046 0.000 1.075 7 R CA 0.028 56.146 56.100 0.029 0.000 1.005 7 R CB 0.491 30.807 30.300 0.026 0.000 0.987 7 R HN 0.147 nan 8.270 nan 0.000 0.452 8 K N 1.799 122.220 120.400 0.036 0.000 2.234 8 K HA 0.538 4.858 4.320 -0.000 0.000 0.277 8 K C -0.780 175.842 176.600 0.037 0.000 1.038 8 K CA -0.172 56.142 56.287 0.045 0.000 0.888 8 K CB 1.900 34.404 32.500 0.007 0.000 1.091 8 K HN 0.642 nan 8.250 nan 0.000 0.467 9 A N 2.944 125.805 122.820 0.069 0.000 2.350 9 A HA 0.683 5.003 4.320 -0.000 0.000 0.324 9 A C -1.495 176.143 177.584 0.091 0.000 1.118 9 A CA -0.753 51.323 52.037 0.064 0.000 0.783 9 A CB 0.756 19.799 19.000 0.072 0.000 1.236 9 A HN 0.580 nan 8.150 nan 0.000 0.457 10 L N 3.065 124.327 121.223 0.064 0.000 2.313 10 L HA 0.698 5.038 4.340 -0.000 0.000 0.283 10 L C -1.066 175.856 176.870 0.088 0.000 1.013 10 L CA -0.236 54.661 54.840 0.094 0.000 0.816 10 L CB 1.726 43.795 42.059 0.017 0.000 1.236 10 L HN 0.387 nan 8.230 nan 0.000 0.419 11 V N 3.882 123.875 119.914 0.132 0.000 2.378 11 V HA 0.469 4.589 4.120 -0.000 0.000 0.288 11 V C 0.285 176.478 176.094 0.166 0.000 1.016 11 V CA -0.422 61.947 62.300 0.115 0.000 0.840 11 V CB 1.589 33.474 31.823 0.104 0.000 0.994 11 V HN 0.896 nan 8.190 nan 0.000 0.431 12 T N 0.918 115.553 114.554 0.135 0.000 2.904 12 T HA 0.524 4.874 4.350 -0.000 0.000 0.290 12 T C 1.094 175.945 174.700 0.252 0.000 1.018 12 T CA 0.324 62.568 62.100 0.239 0.000 1.075 12 T CB 1.362 70.239 68.868 0.015 0.000 0.986 12 T HN 1.851 nan 8.240 nan 0.000 0.523 13 G N 0.995 110.020 108.800 0.376 0.000 2.356 13 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.296 13 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.296 13 G C 0.911 175.855 174.900 0.074 0.000 1.022 13 G CA 0.136 45.322 45.100 0.143 0.000 0.961 13 G HN 1.529 nan 8.290 nan 0.000 0.510 14 A N -0.615 122.246 122.820 0.068 0.000 2.172 14 A HA 0.234 4.554 4.320 -0.000 0.000 0.216 14 A C 2.457 180.047 177.584 0.010 0.000 1.154 14 A CA 2.335 54.400 52.037 0.046 0.000 0.701 14 A CB -0.381 18.656 19.000 0.061 0.000 0.789 14 A HN 1.463 nan 8.150 nan 0.000 0.465 15 T N -3.339 111.208 114.554 -0.012 0.000 3.057 15 T HA 0.339 4.688 4.350 -0.000 0.000 0.254 15 T C 1.103 175.797 174.700 -0.009 0.000 1.094 15 T CA 0.440 62.528 62.100 -0.021 0.000 1.088 15 T CB -0.180 68.664 68.868 -0.040 0.000 0.934 15 T HN 0.363 nan 8.240 nan 0.000 0.497 16 G N 0.291 109.092 108.800 0.001 0.000 2.616 16 G HA2 0.460 4.420 3.960 -0.000 0.000 0.268 16 G HA3 0.460 4.420 3.960 -0.000 0.000 0.268 16 G C 1.154 176.059 174.900 0.009 0.000 1.213 16 G CA -0.346 44.758 45.100 0.006 0.000 0.926 16 G HN 0.258 nan 8.290 nan 0.000 0.523 17 G N -0.504 108.301 108.800 0.009 0.000 2.679 17 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.217 17 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.217 17 G C 1.741 176.649 174.900 0.013 0.000 1.267 17 G CA 1.096 46.202 45.100 0.010 0.000 0.799 17 G HN 0.446 nan 8.290 nan 0.000 0.606 18 L N 0.843 122.075 121.223 0.015 0.000 2.042 18 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 18 L C 3.253 180.137 176.870 0.024 0.000 1.076 18 L CA 1.249 56.099 54.840 0.018 0.000 0.749 18 L CB -0.928 41.140 42.059 0.016 0.000 0.893 18 L HN 0.401 nan 8.230 nan 0.000 0.432 19 G N -0.491 108.326 108.800 0.029 0.000 2.421 19 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 19 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 19 G C 1.454 176.374 174.900 0.033 0.000 1.171 19 G CA 0.881 46.004 45.100 0.038 0.000 0.775 19 G HN 0.460 nan 8.290 nan 0.000 0.543 20 E N 0.521 120.734 120.200 0.021 0.000 2.038 20 E HA -0.085 4.265 4.350 -0.000 0.000 0.195 20 E C 2.790 179.401 176.600 0.018 0.000 1.000 20 E CA 1.152 57.560 56.400 0.013 0.000 0.803 20 E CB -0.309 29.393 29.700 0.003 0.000 0.750 20 E HN 0.316 nan 8.360 nan 0.000 0.448 21 A N 1.002 123.833 122.820 0.019 0.000 1.908 21 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 21 A C 2.184 179.786 177.584 0.030 0.000 1.181 21 A CA 1.577 53.627 52.037 0.022 0.000 0.627 21 A CB -0.688 18.323 19.000 0.019 0.000 0.818 21 A HN 0.367 nan 8.150 nan 0.000 0.445 22 I N -0.326 120.264 120.570 0.033 0.000 2.142 22 I HA -0.287 3.882 4.170 -0.000 0.000 0.240 22 I C 3.010 179.160 176.117 0.054 0.000 1.078 22 I CA 1.153 62.478 61.300 0.040 0.000 1.343 22 I CB -0.419 37.605 38.000 0.040 0.000 1.046 22 I HN 0.353 nan 8.210 nan 0.000 0.405 23 A N 0.825 123.679 122.820 0.056 0.000 1.908 23 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 23 A C 2.400 180.034 177.584 0.084 0.000 1.181 23 A CA 1.634 53.714 52.037 0.071 0.000 0.627 23 A CB -0.642 18.390 19.000 0.054 0.000 0.818 23 A HN 0.326 nan 8.150 nan 0.000 0.445 24 R N -0.668 119.867 120.500 0.059 0.000 2.081 24 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 24 R C 2.454 178.817 176.300 0.105 0.000 1.131 24 R CA 1.256 57.399 56.100 0.073 0.000 0.960 24 R CB -0.441 29.883 30.300 0.040 0.000 0.856 24 R HN 0.533 nan 8.270 nan 0.000 0.436 25 A N 1.057 123.923 122.820 0.076 0.000 1.897 25 A HA -0.071 4.248 4.320 -0.000 0.000 0.215 25 A C 2.172 179.802 177.584 0.078 0.000 1.181 25 A CA 0.898 52.975 52.037 0.066 0.000 0.620 25 A CB -0.398 18.628 19.000 0.044 0.000 0.821 25 A HN 0.146 nan 8.150 nan 0.000 0.443 26 L N -1.525 119.751 121.223 0.088 0.000 2.017 26 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 26 L C 2.642 179.575 176.870 0.104 0.000 1.073 26 L CA 1.896 56.789 54.840 0.089 0.000 0.745 26 L CB -0.695 41.419 42.059 0.091 0.000 0.894 26 L HN 0.638 nan 8.230 nan 0.000 0.432 27 H N -0.002 119.093 119.070 0.043 0.000 2.352 27 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 27 H C 2.141 177.490 175.328 0.035 0.000 1.097 27 H CA 1.636 57.707 56.048 0.040 0.000 1.311 27 H CB 0.063 29.844 29.762 0.032 0.000 1.377 27 H HN 0.297 nan 8.280 nan 0.000 0.504 28 A N 0.136 123.006 122.820 0.085 0.000 2.024 28 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 28 A C 2.001 179.579 177.584 -0.010 0.000 1.164 28 A CA 1.578 53.634 52.037 0.031 0.000 0.643 28 A CB -0.194 18.847 19.000 0.069 0.000 0.806 28 A HN 0.520 nan 8.150 nan 0.000 0.451 29 Q N -1.594 118.210 119.800 0.006 0.000 2.403 29 Q HA 0.198 4.538 4.340 -0.000 0.000 0.203 29 Q C 1.152 177.147 176.000 -0.009 0.000 0.932 29 Q CA 0.770 56.584 55.803 0.019 0.000 0.945 29 Q CB 0.363 29.135 28.738 0.056 0.000 1.045 29 Q HN 0.972 nan 8.270 nan 0.000 0.511 30 G N 0.252 109.009 108.800 -0.071 0.000 2.179 30 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 30 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 30 G C 0.370 175.236 174.900 -0.056 0.000 0.990 30 G CA -0.012 45.034 45.100 -0.090 0.000 0.646 30 G HN 0.556 nan 8.290 nan 0.000 0.517 31 A N -0.070 122.739 122.820 -0.018 0.000 2.445 31 A HA 0.663 4.983 4.320 -0.000 0.000 0.242 31 A C 0.512 178.138 177.584 0.069 0.000 1.075 31 A CA 0.169 52.228 52.037 0.036 0.000 0.777 31 A CB 0.242 19.279 19.000 0.062 0.000 1.013 31 A HN 0.824 nan 8.150 nan 0.000 0.493 32 I N 1.985 122.621 120.570 0.110 0.000 2.337 32 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 32 I C -0.511 175.739 176.117 0.223 0.000 1.046 32 I CA -0.011 61.403 61.300 0.191 0.000 1.324 32 I CB 1.182 39.317 38.000 0.226 0.000 1.409 32 I HN 0.257 nan 8.210 nan 0.000 0.494 33 V N 6.045 126.116 119.914 0.262 0.000 2.347 33 V HA 0.469 4.589 4.120 -0.000 0.000 0.280 33 V C 0.725 176.987 176.094 0.279 0.000 1.021 33 V CA -0.691 61.747 62.300 0.230 0.000 0.847 33 V CB 1.275 33.213 31.823 0.192 0.000 0.990 33 V HN 0.863 nan 8.190 nan 0.000 0.444 34 G N 5.251 114.233 108.800 0.303 0.000 2.333 34 G HA2 0.551 4.511 3.960 -0.000 0.000 0.290 34 G HA3 0.551 4.511 3.960 -0.000 0.000 0.290 34 G C -0.526 174.551 174.900 0.295 0.000 1.150 34 G CA -0.468 44.866 45.100 0.391 0.000 0.895 34 G HN 0.645 nan 8.290 nan 0.000 0.444 35 L N 2.951 124.280 121.223 0.175 0.000 2.255 35 L HA 0.283 4.623 4.340 -0.000 0.000 0.289 35 L C 0.251 177.232 176.870 0.185 0.000 1.046 35 L CA -0.940 53.979 54.840 0.131 0.000 0.816 35 L CB 0.937 43.011 42.059 0.026 0.000 1.197 35 L HN 0.708 nan 8.230 nan 0.000 0.427 36 H N 2.800 121.961 119.070 0.152 0.000 2.472 36 H HA 0.787 5.343 4.556 -0.000 0.000 0.335 36 H C -0.145 175.230 175.328 0.079 0.000 1.136 36 H CA 0.071 56.204 56.048 0.142 0.000 1.264 36 H CB 1.738 31.579 29.762 0.131 0.000 1.486 36 H HN 0.641 nan 8.280 nan 0.000 0.517 37 G N 1.080 109.266 108.800 -1.023 0.000 2.495 37 G HA2 0.219 4.179 3.960 -0.000 0.000 0.294 37 G HA3 0.219 4.179 3.960 -0.000 0.000 0.294 37 G C 0.238 174.820 174.900 -0.530 0.000 1.397 37 G CA -0.172 44.485 45.100 -0.737 0.000 0.790 37 G HN 0.726 nan 8.290 nan 0.000 0.486 38 T N -2.234 112.178 114.554 -0.236 0.000 3.031 38 T HA 0.170 4.520 4.350 -0.000 0.000 0.254 38 T C 0.893 175.558 174.700 -0.057 0.000 1.060 38 T CA 0.456 62.502 62.100 -0.090 0.000 1.135 38 T CB -0.070 68.779 68.868 -0.031 0.000 0.896 38 T HN 0.683 nan 8.240 nan 0.000 0.472 39 R N 1.054 121.514 120.500 -0.065 0.000 2.343 39 R HA 0.528 4.868 4.340 -0.000 0.000 0.320 39 R C 0.359 176.631 176.300 -0.047 0.000 0.956 39 R CA -0.592 55.483 56.100 -0.042 0.000 0.836 39 R CB 1.715 31.997 30.300 -0.031 0.000 1.151 39 R HN 0.127 nan 8.270 nan 0.000 0.450 40 E N 1.974 122.154 120.200 -0.033 0.000 2.110 40 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 40 E C 0.512 177.090 176.600 -0.037 0.000 0.988 40 E CA 1.837 58.217 56.400 -0.033 0.000 0.804 40 E CB 0.320 30.008 29.700 -0.020 0.000 0.745 40 E HN 0.710 nan 8.360 nan 0.000 0.458 41 E N 0.753 120.935 120.200 -0.031 0.000 2.038 41 E HA -0.199 4.150 4.350 -0.000 0.000 0.195 41 E C 1.997 178.575 176.600 -0.035 0.000 1.000 41 E CA 1.099 57.481 56.400 -0.030 0.000 0.803 41 E CB -0.084 29.602 29.700 -0.024 0.000 0.750 41 E HN 0.035 nan 8.360 nan 0.000 0.448 42 K N 0.482 120.860 120.400 -0.037 0.000 2.032 42 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 42 K C 2.274 178.846 176.600 -0.047 0.000 1.048 42 K CA 1.041 57.304 56.287 -0.039 0.000 0.927 42 K CB -0.495 31.981 32.500 -0.040 0.000 0.712 42 K HN 0.191 nan 8.250 nan 0.000 0.441 43 L N 0.863 122.053 121.223 -0.055 0.000 2.046 43 L HA -0.202 4.137 4.340 -0.000 0.000 0.208 43 L C 2.486 179.317 176.870 -0.064 0.000 1.077 43 L CA 1.438 56.242 54.840 -0.061 0.000 0.747 43 L CB -0.296 41.722 42.059 -0.068 0.000 0.896 43 L HN 0.152 nan 8.230 nan 0.000 0.432 44 K N -0.232 120.132 120.400 -0.060 0.000 2.097 44 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 44 K C 2.001 178.565 176.600 -0.060 0.000 1.050 44 K CA 1.158 57.407 56.287 -0.064 0.000 0.938 44 K CB -0.028 32.439 32.500 -0.054 0.000 0.718 44 K HN 0.317 nan 8.250 nan 0.000 0.442 45 E N 0.943 121.113 120.200 -0.050 0.000 2.049 45 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 45 E C 2.039 178.607 176.600 -0.054 0.000 1.007 45 E CA 1.083 57.456 56.400 -0.046 0.000 0.809 45 E CB -0.086 29.592 29.700 -0.038 0.000 0.749 45 E HN 0.235 nan 8.360 nan 0.000 0.450 46 L N 0.344 121.533 121.223 -0.057 0.000 2.046 46 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 46 L C 2.428 179.245 176.870 -0.090 0.000 1.077 46 L CA 1.187 55.989 54.840 -0.065 0.000 0.747 46 L CB -0.322 41.704 42.059 -0.055 0.000 0.896 46 L HN 0.141 nan 8.230 nan 0.000 0.432 47 A N -0.216 122.549 122.820 -0.092 0.000 1.908 47 A HA -0.216 4.103 4.320 -0.000 0.000 0.218 47 A C 2.438 179.955 177.584 -0.111 0.000 1.181 47 A CA 1.748 53.718 52.037 -0.113 0.000 0.627 47 A CB -0.770 18.163 19.000 -0.113 0.000 0.818 47 A HN 0.556 nan 8.150 nan 0.000 0.445 48 A N -0.235 122.533 122.820 -0.087 0.000 1.865 48 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 48 A C 2.086 179.626 177.584 -0.073 0.000 1.191 48 A CA 1.920 53.913 52.037 -0.073 0.000 0.623 48 A CB -0.609 18.357 19.000 -0.057 0.000 0.826 48 A HN 0.698 nan 8.150 nan 0.000 0.444 49 E N -0.280 119.875 120.200 -0.074 0.000 2.106 49 E HA -0.117 4.232 4.350 -0.000 0.000 0.192 49 E C 1.886 178.427 176.600 -0.099 0.000 0.984 49 E CA 0.878 57.236 56.400 -0.069 0.000 0.806 49 E CB -0.181 29.484 29.700 -0.058 0.000 0.750 49 E HN 0.623 nan 8.360 nan 0.000 0.458 50 L N -0.316 120.807 121.223 -0.166 0.000 2.156 50 L HA 0.040 4.379 4.340 -0.000 0.000 0.208 50 L C 1.854 178.580 176.870 -0.239 0.000 1.095 50 L CA 0.700 55.345 54.840 -0.324 0.000 0.770 50 L CB -0.536 41.206 42.059 -0.529 0.000 0.914 50 L HN 0.514 nan 8.230 nan 0.000 0.439 51 G N 0.012 108.730 108.800 -0.137 0.000 2.720 51 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.293 51 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.293 51 G C 0.143 175.018 174.900 -0.041 0.000 1.256 51 G CA 0.019 45.082 45.100 -0.062 0.000 0.974 51 G HN 0.329 nan 8.290 nan 0.000 0.551 52 E N 1.205 121.434 120.200 0.048 0.000 2.342 52 E HA 0.580 4.930 4.350 -0.000 0.000 0.257 52 E C 0.590 177.284 176.600 0.157 0.000 1.150 52 E CA -0.400 56.037 56.400 0.062 0.000 0.926 52 E CB 0.376 30.113 29.700 0.063 0.000 1.074 52 E HN 0.527 nan 8.360 nan 0.000 0.449 53 R N -0.564 119.976 120.500 0.067 0.000 3.641 53 R HA -0.218 4.122 4.340 -0.000 0.000 0.286 53 R C -0.855 175.534 176.300 0.148 0.000 1.153 53 R CA 0.201 56.370 56.100 0.116 0.000 0.775 53 R CB -1.595 28.788 30.300 0.137 0.000 1.215 53 R HN 0.281 nan 8.270 nan 0.000 0.474 54 I N -0.048 120.510 120.570 -0.020 0.000 2.530 54 I HA 0.477 4.647 4.170 -0.000 0.000 0.297 54 I C -0.010 175.953 176.117 -0.256 0.000 1.011 54 I CA -0.424 60.856 61.300 -0.034 0.000 1.107 54 I CB 1.375 39.321 38.000 -0.090 0.000 1.285 54 I HN -0.085 nan 8.210 nan 0.000 0.436 55 F N 4.217 124.083 119.950 -0.140 0.000 2.561 55 F HA 0.704 5.231 4.527 -0.000 0.000 0.321 55 F C -0.325 175.162 175.800 -0.522 0.000 1.065 55 F CA -0.941 56.832 58.000 -0.377 0.000 0.934 55 F CB 1.939 40.654 39.000 -0.474 0.000 1.215 55 F HN -0.076 nan 8.300 nan 0.000 0.471 56 V N 2.814 122.429 119.914 -0.499 0.000 2.444 56 V HA 0.385 4.505 4.120 -0.000 0.000 0.294 56 V C -1.242 174.551 176.094 -0.502 0.000 1.022 56 V CA -0.724 61.350 62.300 -0.378 0.000 0.850 56 V CB 1.367 33.077 31.823 -0.189 0.000 0.992 56 V HN 0.486 nan 8.190 nan 0.000 0.426 57 F N 6.823 126.837 119.950 0.107 0.000 2.564 57 F HA 0.453 4.980 4.527 0.000 0.000 0.368 57 F C -2.219 173.646 175.800 0.107 0.000 1.127 57 F CA -2.834 55.233 58.000 0.111 0.000 1.170 57 F CB 1.403 40.478 39.000 0.125 0.000 1.397 57 F HN 0.293 nan 8.300 nan 0.000 0.493 58 P HA 0.463 nan 4.420 nan 0.000 0.275 58 P C -0.788 176.624 177.300 0.188 0.000 1.227 58 P CA -0.012 63.144 63.100 0.094 0.000 0.781 58 P CB 1.878 33.602 31.700 0.039 0.000 0.906 59 A N 2.298 125.247 122.820 0.214 0.000 2.577 59 A HA 0.389 4.709 4.320 -0.000 0.000 0.297 59 A C -0.990 176.750 177.584 0.260 0.000 1.060 59 A CA -0.650 51.539 52.037 0.254 0.000 0.697 59 A CB 0.984 20.138 19.000 0.258 0.000 1.281 59 A HN 0.488 nan 8.150 nan 0.000 0.402 60 N N 2.137 120.920 118.700 0.138 0.000 2.415 60 N HA 0.261 5.001 4.740 -0.000 0.000 0.246 60 N C 0.582 176.142 175.510 0.083 0.000 1.078 60 N CA -0.380 52.731 53.050 0.102 0.000 0.942 60 N CB 0.442 38.964 38.487 0.058 0.000 1.140 60 N HN 0.610 nan 8.380 nan 0.000 0.501 61 L N 1.941 123.219 121.223 0.093 0.000 2.465 61 L HA -0.077 4.263 4.340 -0.000 0.000 0.224 61 L C 1.897 178.770 176.870 0.007 0.000 1.145 61 L CA 0.587 55.439 54.840 0.021 0.000 0.834 61 L CB -0.268 41.795 42.059 0.007 0.000 0.944 61 L HN 0.550 nan 8.230 nan 0.000 0.451 62 S N -2.527 113.185 115.700 0.021 0.000 2.527 62 S HA -0.059 4.411 4.470 -0.000 0.000 0.222 62 S C 0.772 175.377 174.600 0.009 0.000 0.985 62 S CA -0.194 58.013 58.200 0.010 0.000 0.921 62 S CB -0.144 63.065 63.200 0.015 0.000 0.772 62 S HN 0.278 nan 8.310 nan 0.000 0.529 63 D N 1.654 122.062 120.400 0.014 0.000 2.380 63 D HA 0.275 4.915 4.640 -0.000 0.000 0.230 63 D C 1.013 177.315 176.300 0.003 0.000 1.154 63 D CA -0.429 53.578 54.000 0.011 0.000 0.859 63 D CB 1.082 41.893 40.800 0.018 0.000 1.045 63 D HN 0.185 nan 8.370 nan 0.000 0.495 64 R N 2.730 123.231 120.500 0.002 0.000 2.113 64 R HA -0.183 4.157 4.340 -0.000 0.000 0.244 64 R C 1.328 177.622 176.300 -0.009 0.000 1.142 64 R CA 1.576 57.675 56.100 -0.001 0.000 0.953 64 R CB 0.265 30.572 30.300 0.011 0.000 0.860 64 R HN 0.393 nan 8.270 nan 0.000 0.438 65 E N -0.098 120.100 120.200 -0.004 0.000 2.107 65 E HA -0.098 4.251 4.350 -0.000 0.000 0.191 65 E C 1.884 178.476 176.600 -0.013 0.000 0.982 65 E CA 1.166 57.561 56.400 -0.009 0.000 0.809 65 E CB -0.334 29.365 29.700 -0.002 0.000 0.756 65 E HN 0.475 nan 8.360 nan 0.000 0.459 66 A N 1.071 123.889 122.820 -0.003 0.000 1.940 66 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 66 A C 2.588 180.159 177.584 -0.022 0.000 1.176 66 A CA 1.436 53.474 52.037 0.002 0.000 0.631 66 A CB -0.620 18.395 19.000 0.024 0.000 0.814 66 A HN 0.139 nan 8.150 nan 0.000 0.446 67 V N 0.055 119.945 119.914 -0.040 0.000 2.270 67 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 67 V C 2.460 178.495 176.094 -0.098 0.000 1.043 67 V CA 2.355 64.607 62.300 -0.081 0.000 1.014 67 V CB -0.666 31.109 31.823 -0.080 0.000 0.645 67 V HN 0.556 nan 8.190 nan 0.000 0.447 68 K N 0.319 120.672 120.400 -0.079 0.000 2.032 68 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 68 K C 2.323 178.870 176.600 -0.087 0.000 1.048 68 K CA 1.600 57.834 56.287 -0.087 0.000 0.927 68 K CB -0.503 31.958 32.500 -0.065 0.000 0.712 68 K HN 0.466 nan 8.250 nan 0.000 0.441 69 A N 1.960 124.741 122.820 -0.064 0.000 1.883 69 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 69 A C 2.122 179.651 177.584 -0.092 0.000 1.186 69 A CA 1.200 53.202 52.037 -0.058 0.000 0.624 69 A CB -0.748 18.238 19.000 -0.024 0.000 0.822 69 A HN 0.288 nan 8.150 nan 0.000 0.444 70 L N -0.583 120.582 121.223 -0.097 0.000 1.997 70 L HA -0.230 4.110 4.340 -0.000 0.000 0.216 70 L C 2.579 179.290 176.870 -0.265 0.000 1.074 70 L CA 2.170 56.916 54.840 -0.156 0.000 0.763 70 L CB -0.974 41.004 42.059 -0.136 0.000 0.890 70 L HN 0.472 nan 8.230 nan 0.000 0.434 71 G N -1.356 107.317 108.800 -0.211 0.000 2.418 71 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 71 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 71 G C 1.370 176.142 174.900 -0.215 0.000 1.158 71 G CA 0.725 45.696 45.100 -0.216 0.000 0.771 71 G HN 0.500 nan 8.290 nan 0.000 0.545 72 Q N -0.162 119.536 119.800 -0.171 0.000 2.046 72 Q HA -0.003 4.337 4.340 -0.000 0.000 0.200 72 Q C 2.490 178.389 176.000 -0.168 0.000 0.975 72 Q CA 1.440 57.160 55.803 -0.139 0.000 0.836 72 Q CB -0.156 28.525 28.738 -0.095 0.000 0.896 72 Q HN 0.474 nan 8.270 nan 0.000 0.428 73 K N 0.484 120.766 120.400 -0.197 0.000 2.032 73 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 73 K C 2.030 178.371 176.600 -0.432 0.000 1.048 73 K CA 1.350 57.507 56.287 -0.218 0.000 0.927 73 K CB -0.201 32.203 32.500 -0.160 0.000 0.712 73 K HN 0.206 nan 8.250 nan 0.000 0.441 74 A N 0.897 123.260 122.820 -0.761 0.000 1.877 74 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 74 A C 2.026 179.354 177.584 -0.426 0.000 1.186 74 A CA 1.988 53.470 52.037 -0.925 0.000 0.620 74 A CB -0.669 17.819 19.000 -0.854 0.000 0.822 74 A HN 0.517 nan 8.150 nan 0.000 0.443 75 E N 0.083 120.107 120.200 -0.294 0.000 2.077 75 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 75 E C 1.966 178.479 176.600 -0.145 0.000 0.989 75 E CA 1.577 57.867 56.400 -0.183 0.000 0.800 75 E CB -0.199 29.418 29.700 -0.137 0.000 0.746 75 E HN 0.575 nan 8.360 nan 0.000 0.452 76 E N 0.478 120.597 120.200 -0.135 0.000 2.007 76 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 76 E C 2.019 178.582 176.600 -0.061 0.000 0.999 76 E CA 1.509 57.863 56.400 -0.076 0.000 0.811 76 E CB -0.133 29.536 29.700 -0.053 0.000 0.762 76 E HN 0.468 nan 8.360 nan 0.000 0.450 77 E N -0.261 119.902 120.200 -0.063 0.000 2.208 77 E HA -0.074 4.275 4.350 -0.000 0.000 0.193 77 E C 1.906 178.384 176.600 -0.203 0.000 0.988 77 E CA 0.594 56.999 56.400 0.008 0.000 0.828 77 E CB -0.014 29.811 29.700 0.208 0.000 0.763 77 E HN 0.285 nan 8.360 nan 0.000 0.478 78 M N -0.482 118.873 119.600 -0.408 0.000 2.495 78 M HA 0.145 4.624 4.480 -0.000 0.000 0.237 78 M C 0.920 177.129 176.300 -0.152 0.000 1.131 78 M CA 0.391 55.382 55.300 -0.515 0.000 1.032 78 M CB 0.660 32.957 32.600 -0.505 0.000 1.513 78 M HN 0.146 nan 8.290 nan 0.000 0.488 79 G N 1.849 110.594 108.800 -0.091 0.000 2.295 79 G HA2 -0.050 3.909 3.960 -0.000 0.000 0.287 79 G HA3 -0.050 3.909 3.960 -0.000 0.000 0.287 79 G C 0.371 175.245 174.900 -0.045 0.000 1.055 79 G CA 0.170 45.249 45.100 -0.036 0.000 0.922 79 G HN 0.943 nan 8.290 nan 0.000 0.503 80 G N -2.560 106.196 108.800 -0.074 0.000 3.434 80 G HA2 0.278 4.238 3.960 -0.000 0.000 0.686 80 G HA3 0.278 4.238 3.960 -0.000 0.000 0.686 80 G C -0.354 174.504 174.900 -0.070 0.000 1.099 80 G CA -0.223 44.838 45.100 -0.064 0.000 0.931 80 G HN 1.509 nan 8.290 nan 0.000 0.520 81 V N 3.568 123.433 119.914 -0.081 0.000 2.432 81 V HA 0.316 4.436 4.120 -0.000 0.000 0.271 81 V C 0.771 176.837 176.094 -0.046 0.000 1.046 81 V CA 0.082 62.340 62.300 -0.070 0.000 0.945 81 V CB 1.547 33.316 31.823 -0.091 0.000 0.992 81 V HN 0.781 nan 8.190 nan 0.000 0.471 82 D N 3.756 124.139 120.400 -0.028 0.000 2.277 82 D HA 0.209 4.849 4.640 -0.000 0.000 0.209 82 D C 0.341 176.629 176.300 -0.020 0.000 0.970 82 D CA 1.025 55.012 54.000 -0.022 0.000 0.874 82 D CB 0.923 41.717 40.800 -0.010 0.000 0.982 82 D HN 0.427 nan 8.370 nan 0.000 0.504 83 I N 1.540 122.104 120.570 -0.011 0.000 2.468 83 I HA 0.179 4.349 4.170 -0.000 0.000 0.285 83 I C -1.216 174.898 176.117 -0.004 0.000 1.039 83 I CA -0.887 60.410 61.300 -0.005 0.000 1.074 83 I CB 2.658 40.664 38.000 0.010 0.000 1.228 83 I HN -0.230 nan 8.210 nan 0.000 0.436 84 L N 8.567 129.783 121.223 -0.011 0.000 2.287 84 L HA 0.574 4.914 4.340 -0.000 0.000 0.287 84 L C -0.826 176.045 176.870 0.001 0.000 1.022 84 L CA -0.351 54.483 54.840 -0.011 0.000 0.814 84 L CB 1.559 43.602 42.059 -0.026 0.000 1.217 84 L HN 0.329 nan 8.230 nan 0.000 0.420 85 V N 5.589 125.511 119.914 0.013 0.000 2.294 85 V HA 0.381 4.501 4.120 -0.000 0.000 0.272 85 V C -0.047 176.057 176.094 0.016 0.000 1.027 85 V CA -0.697 61.614 62.300 0.019 0.000 0.823 85 V CB 0.646 32.487 31.823 0.031 0.000 1.030 85 V HN 0.700 nan 8.190 nan 0.000 0.457 86 N N 4.074 122.779 118.700 0.008 0.000 2.415 86 N HA 0.089 4.829 4.740 -0.000 0.000 0.250 86 N C 0.725 176.240 175.510 0.008 0.000 1.127 86 N CA 0.170 53.220 53.050 -0.001 0.000 0.945 86 N CB 0.981 39.467 38.487 -0.002 0.000 1.196 86 N HN 0.767 nan 8.380 nan 0.000 0.499 87 N N 1.360 120.073 118.700 0.022 0.000 2.360 87 N HA 0.064 4.804 4.740 -0.000 0.000 0.211 87 N C -0.099 175.437 175.510 0.044 0.000 1.147 87 N CA -0.215 52.855 53.050 0.033 0.000 0.866 87 N CB 0.383 38.896 38.487 0.044 0.000 1.206 87 N HN 0.376 nan 8.380 nan 0.000 0.478 88 A N 0.003 122.858 122.820 0.059 0.000 2.488 88 A HA 0.608 4.928 4.320 -0.000 0.000 0.249 88 A C 0.453 178.066 177.584 0.048 0.000 1.083 88 A CA 0.460 52.542 52.037 0.075 0.000 0.768 88 A CB -0.234 18.842 19.000 0.127 0.000 1.017 88 A HN 0.405 nan 8.150 nan 0.000 0.496 89 G N 0.722 109.561 108.800 0.064 0.000 2.698 89 G HA2 0.601 4.561 3.960 -0.000 0.000 0.293 89 G HA3 0.601 4.561 3.960 -0.000 0.000 0.293 89 G C -0.770 174.187 174.900 0.096 0.000 1.437 89 G CA -0.210 44.938 45.100 0.080 0.000 0.852 89 G HN 1.383 nan 8.290 nan 0.000 0.499 90 I N -1.552 119.083 120.570 0.108 0.000 3.002 90 I HA 0.930 5.100 4.170 -0.000 0.000 0.310 90 I C -0.039 176.137 176.117 0.098 0.000 1.087 90 I CA -1.045 60.298 61.300 0.072 0.000 1.017 90 I CB 2.575 40.600 38.000 0.041 0.000 1.226 90 I HN 0.620 nan 8.210 nan 0.000 0.443 91 T N 0.419 114.966 114.554 -0.012 0.000 2.912 91 T HA 0.614 4.964 4.350 -0.000 0.000 0.288 91 T C -0.142 174.555 174.700 -0.006 0.000 1.030 91 T CA -0.914 61.150 62.100 -0.060 0.000 1.020 91 T CB 1.844 70.555 68.868 -0.260 0.000 1.056 91 T HN 0.679 nan 8.240 nan 0.000 0.480 92 R N 2.259 122.774 120.500 0.026 0.000 2.644 92 R HA 0.293 4.633 4.340 -0.000 0.000 0.271 92 R C -1.305 175.029 176.300 0.057 0.000 1.687 92 R CA -0.579 55.545 56.100 0.039 0.000 1.655 92 R CB 0.416 30.750 30.300 0.056 0.000 1.285 92 R HN 0.702 nan 8.270 nan 0.000 0.643 93 D N 0.553 120.970 120.400 0.029 0.000 2.372 93 D HA 0.559 5.199 4.640 -0.000 0.000 0.243 93 D C 0.861 177.197 176.300 0.060 0.000 1.121 93 D CA 0.766 54.793 54.000 0.045 0.000 0.898 93 D CB 1.434 42.240 40.800 0.011 0.000 1.202 93 D HN 0.560 nan 8.370 nan 0.000 0.428 94 G N 0.024 108.873 108.800 0.083 0.000 2.328 94 G HA2 0.262 4.222 3.960 -0.000 0.000 0.299 94 G HA3 0.262 4.222 3.960 -0.000 0.000 0.299 94 G C -1.486 173.477 174.900 0.105 0.000 1.435 94 G CA -1.038 44.108 45.100 0.076 0.000 0.865 94 G HN 0.262 nan 8.290 nan 0.000 0.601 95 L N 1.180 122.456 121.223 0.088 0.000 2.525 95 L HA 0.191 4.531 4.340 -0.000 0.000 0.278 95 L C 1.852 178.810 176.870 0.146 0.000 1.218 95 L CA -0.060 54.849 54.840 0.115 0.000 0.878 95 L CB -0.335 41.771 42.059 0.077 0.000 1.127 95 L HN 0.685 nan 8.230 nan 0.000 0.492 96 F N 3.691 123.672 119.950 0.051 0.000 2.120 96 F HA -0.219 4.307 4.527 -0.001 0.000 0.300 96 F C 1.956 177.769 175.800 0.022 0.000 1.095 96 F CA 2.009 60.038 58.000 0.048 0.000 1.249 96 F CB -0.002 39.022 39.000 0.041 0.000 0.995 96 F HN 0.369 nan 8.300 nan 0.000 0.480 97 V N -0.716 119.154 119.914 -0.073 0.000 2.720 97 V HA -0.147 3.973 4.120 -0.000 0.000 0.256 97 V C 1.833 177.819 176.094 -0.180 0.000 1.082 97 V CA 1.769 63.959 62.300 -0.184 0.000 1.101 97 V CB -0.839 30.969 31.823 -0.026 0.000 0.693 97 V HN 0.381 nan 8.190 nan 0.000 0.479 98 R N -0.197 120.241 120.500 -0.103 0.000 2.393 98 R HA 0.423 4.763 4.340 -0.000 0.000 0.244 98 R C 0.718 176.975 176.300 -0.071 0.000 0.920 98 R CA -0.153 55.904 56.100 -0.071 0.000 1.076 98 R CB 0.078 30.366 30.300 -0.020 0.000 1.119 98 R HN 0.518 nan 8.270 nan 0.000 0.524 99 M N 2.870 122.396 119.600 -0.124 0.000 2.220 99 M HA 0.050 4.530 4.480 -0.000 0.000 0.343 99 M C 0.137 176.402 176.300 -0.058 0.000 1.470 99 M CA 0.003 55.276 55.300 -0.045 0.000 1.161 99 M CB 0.729 33.344 32.600 0.026 0.000 1.737 99 M HN 0.033 nan 8.290 nan 0.000 0.464 100 S N 2.906 118.610 115.700 0.006 0.000 2.600 100 S HA 0.140 4.610 4.470 -0.000 0.000 0.265 100 S C 0.541 175.178 174.600 0.061 0.000 1.325 100 S CA -0.692 57.514 58.200 0.009 0.000 1.002 100 S CB 0.789 64.002 63.200 0.022 0.000 0.921 100 S HN 0.735 nan 8.310 nan 0.000 0.554 101 D N 1.277 121.702 120.400 0.042 0.000 2.149 101 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 101 D C 1.728 178.119 176.300 0.152 0.000 0.990 101 D CA 1.563 55.619 54.000 0.095 0.000 0.839 101 D CB -0.368 40.462 40.800 0.049 0.000 0.948 101 D HN 0.711 nan 8.370 nan 0.000 0.460 102 E N 0.686 120.944 120.200 0.096 0.000 2.051 102 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 102 E C 1.676 178.336 176.600 0.100 0.000 0.991 102 E CA 0.947 57.398 56.400 0.084 0.000 0.799 102 E CB -0.202 29.529 29.700 0.051 0.000 0.748 102 E HN 0.208 nan 8.360 nan 0.000 0.449 103 D N -0.431 120.038 120.400 0.114 0.000 2.117 103 D HA -0.166 4.473 4.640 -0.000 0.000 0.197 103 D C 1.459 177.859 176.300 0.167 0.000 0.987 103 D CA 0.701 54.773 54.000 0.121 0.000 0.829 103 D CB -0.307 40.565 40.800 0.119 0.000 0.961 103 D HN 0.291 nan 8.370 nan 0.000 0.460 104 W N 1.814 123.136 121.300 0.037 0.000 2.380 104 W HA -0.159 4.500 4.660 -0.003 0.000 0.317 104 W C 1.230 177.771 176.519 0.037 0.000 1.196 104 W CA 1.159 58.534 57.345 0.050 0.000 1.307 104 W CB -0.201 29.289 29.460 0.051 0.000 1.157 104 W HN -0.103 nan 8.180 nan 0.000 0.483 105 D N 0.706 121.216 120.400 0.183 0.000 2.104 105 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 105 D C 2.357 178.627 176.300 -0.050 0.000 0.994 105 D CA 2.265 56.299 54.000 0.055 0.000 0.830 105 D CB -0.914 39.961 40.800 0.126 0.000 0.959 105 D HN 0.170 nan 8.370 nan 0.000 0.452 106 A N 0.494 123.307 122.820 -0.011 0.000 1.877 106 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 106 A C 2.542 180.090 177.584 -0.059 0.000 1.186 106 A CA 1.414 53.439 52.037 -0.020 0.000 0.620 106 A CB -0.778 18.228 19.000 0.010 0.000 0.822 106 A HN 0.159 nan 8.150 nan 0.000 0.443 107 V N 0.077 119.936 119.914 -0.091 0.000 2.358 107 V HA -0.180 3.939 4.120 -0.000 0.000 0.246 107 V C 2.520 178.486 176.094 -0.213 0.000 1.047 107 V CA 1.467 63.701 62.300 -0.111 0.000 1.035 107 V CB -0.610 31.165 31.823 -0.080 0.000 0.658 107 V HN 0.482 nan 8.190 nan 0.000 0.452 108 L N -0.026 120.976 121.223 -0.368 0.000 2.046 108 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 108 L C 2.567 179.306 176.870 -0.218 0.000 1.077 108 L CA 2.358 56.967 54.840 -0.386 0.000 0.747 108 L CB -1.789 39.929 42.059 -0.568 0.000 0.896 108 L HN 0.410 nan 8.230 nan 0.000 0.432 109 T N -0.473 113.989 114.554 -0.153 0.000 2.737 109 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 109 T C 2.115 176.769 174.700 -0.077 0.000 1.038 109 T CA 1.273 63.319 62.100 -0.090 0.000 1.144 109 T CB -0.187 68.650 68.868 -0.051 0.000 0.866 109 T HN 0.080 nan 8.240 nan 0.000 0.434 110 V N 2.197 122.070 119.914 -0.068 0.000 2.323 110 V HA -0.110 4.009 4.120 -0.000 0.000 0.244 110 V C 2.135 178.190 176.094 -0.065 0.000 1.041 110 V CA 1.522 63.794 62.300 -0.047 0.000 1.025 110 V CB -0.625 31.188 31.823 -0.017 0.000 0.656 110 V HN 0.537 nan 8.190 nan 0.000 0.451 111 N N -0.714 117.932 118.700 -0.090 0.000 2.354 111 N HA -0.043 4.697 4.740 -0.000 0.000 0.179 111 N C 1.417 176.840 175.510 -0.145 0.000 1.021 111 N CA 0.759 53.743 53.050 -0.109 0.000 0.887 111 N CB 0.289 38.693 38.487 -0.138 0.000 0.974 111 N HN 0.272 nan 8.380 nan 0.000 0.437 112 L N -0.404 120.721 121.223 -0.165 0.000 2.638 112 L HA 0.189 4.529 4.340 -0.000 0.000 0.195 112 L C 1.978 178.735 176.870 -0.189 0.000 1.065 112 L CA 1.235 55.955 54.840 -0.200 0.000 0.859 112 L CB -0.484 41.450 42.059 -0.210 0.000 1.269 112 L HN -0.151 nan 8.230 nan 0.000 0.484 113 T N -0.626 113.847 114.554 -0.134 0.000 2.777 113 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 113 T C 1.968 176.672 174.700 0.007 0.000 1.040 113 T CA 1.678 63.743 62.100 -0.057 0.000 1.141 113 T CB -0.300 68.534 68.868 -0.058 0.000 0.868 113 T HN 0.523 nan 8.240 nan 0.000 0.444 114 S N 1.224 116.896 115.700 -0.046 0.000 2.383 114 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 114 S C 2.165 176.709 174.600 -0.094 0.000 1.026 114 S CA 0.910 59.077 58.200 -0.056 0.000 0.981 114 S CB -0.822 62.341 63.200 -0.062 0.000 0.818 114 S HN 0.276 nan 8.310 nan 0.000 0.472 115 V N 1.516 121.361 119.914 -0.115 0.000 2.295 115 V HA -0.103 4.017 4.120 -0.000 0.000 0.246 115 V C 2.167 178.142 176.094 -0.198 0.000 1.049 115 V CA 2.141 64.355 62.300 -0.144 0.000 1.024 115 V CB -1.178 30.552 31.823 -0.155 0.000 0.648 115 V HN 0.643 nan 8.190 nan 0.000 0.447 116 F N 1.783 121.469 119.950 -0.441 0.000 2.091 116 F HA -0.232 4.296 4.527 0.002 0.000 0.299 116 F C 2.332 178.039 175.800 -0.157 0.000 1.103 116 F CA 2.244 59.973 58.000 -0.451 0.000 1.228 116 F CB -0.519 38.212 39.000 -0.448 0.000 0.984 116 F HN 0.165 nan 8.300 nan 0.000 0.477 117 N N 0.893 119.376 118.700 -0.362 0.000 2.142 117 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 117 N C 2.222 177.553 175.510 -0.298 0.000 1.023 117 N CA 1.374 54.177 53.050 -0.413 0.000 0.852 117 N CB -0.545 37.858 38.487 -0.141 0.000 0.998 117 N HN 0.386 nan 8.380 nan 0.000 0.424 118 L N 1.331 122.431 121.223 -0.206 0.000 2.017 118 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 118 L C 1.968 178.746 176.870 -0.153 0.000 1.073 118 L CA 1.346 56.084 54.840 -0.171 0.000 0.745 118 L CB -0.663 41.303 42.059 -0.155 0.000 0.894 118 L HN 0.171 nan 8.230 nan 0.000 0.432 119 T N -0.866 113.612 114.554 -0.127 0.000 2.746 119 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 119 T C 1.983 176.625 174.700 -0.096 0.000 1.039 119 T CA 1.082 63.154 62.100 -0.047 0.000 1.142 119 T CB -0.249 68.698 68.868 0.132 0.000 0.866 119 T HN 0.269 nan 8.240 nan 0.000 0.444 120 R N 0.791 121.151 120.500 -0.234 0.000 2.096 120 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 120 R C 2.178 178.381 176.300 -0.161 0.000 1.127 120 R CA 1.092 57.039 56.100 -0.254 0.000 0.968 120 R CB -0.111 29.873 30.300 -0.527 0.000 0.861 120 R HN 0.342 nan 8.270 nan 0.000 0.440 121 E N 0.312 120.411 120.200 -0.168 0.000 2.204 121 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 121 E C 1.783 178.328 176.600 -0.091 0.000 0.990 121 E CA 0.988 57.313 56.400 -0.126 0.000 0.821 121 E CB 0.068 29.684 29.700 -0.140 0.000 0.750 121 E HN 0.402 nan 8.360 nan 0.000 0.477 122 L N -0.576 120.596 121.223 -0.085 0.000 2.701 122 L HA 0.106 4.446 4.340 -0.000 0.000 0.238 122 L C 1.999 178.842 176.870 -0.046 0.000 1.106 122 L CA 0.161 54.959 54.840 -0.070 0.000 0.898 122 L CB 0.246 42.255 42.059 -0.083 0.000 1.188 122 L HN -0.051 nan 8.230 nan 0.000 0.508 123 T N -1.601 112.933 114.554 -0.034 0.000 2.770 123 T HA -0.173 4.177 4.350 -0.000 0.000 0.263 123 T C 1.838 176.521 174.700 -0.027 0.000 1.039 123 T CA 1.161 63.243 62.100 -0.030 0.000 1.142 123 T CB -0.220 68.635 68.868 -0.021 0.000 0.868 123 T HN 0.320 nan 8.240 nan 0.000 0.435 124 H N 1.572 120.610 119.070 -0.055 0.000 2.319 124 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 124 H C -0.611 174.691 175.328 -0.043 0.000 1.092 124 H CA 1.761 57.782 56.048 -0.045 0.000 1.302 124 H CB -0.945 28.791 29.762 -0.042 0.000 1.373 124 H HN 0.222 nan 8.280 nan 0.000 0.497 125 P HA -0.211 nan 4.420 nan 0.000 0.215 125 P C 1.999 179.264 177.300 -0.058 0.000 1.163 125 P CA 1.765 64.862 63.100 -0.004 0.000 0.894 125 P CB -0.235 31.456 31.700 -0.016 0.000 0.791 126 M N -2.280 117.280 119.600 -0.066 0.000 2.080 126 M HA -0.189 4.291 4.480 -0.000 0.000 0.260 126 M C 2.267 178.508 176.300 -0.098 0.000 1.068 126 M CA 2.020 57.277 55.300 -0.072 0.000 1.109 126 M CB -0.810 31.752 32.600 -0.065 0.000 1.342 126 M HN -0.060 nan 8.290 nan 0.000 0.405 127 M N -0.869 118.642 119.600 -0.148 0.000 2.159 127 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 127 M C 2.217 178.403 176.300 -0.190 0.000 1.063 127 M CA 1.690 56.876 55.300 -0.190 0.000 1.110 127 M CB -0.518 31.909 32.600 -0.289 0.000 1.374 127 M HN 0.195 nan 8.290 nan 0.000 0.411 128 R N 0.098 120.474 120.500 -0.207 0.000 2.073 128 R HA -0.088 4.251 4.340 -0.000 0.000 0.234 128 R C 2.150 178.407 176.300 -0.071 0.000 1.134 128 R CA 1.443 57.469 56.100 -0.123 0.000 0.952 128 R CB -0.221 30.043 30.300 -0.059 0.000 0.850 128 R HN 0.356 nan 8.270 nan 0.000 0.433 129 R N 0.063 120.526 120.500 -0.062 0.000 2.285 129 R HA 0.017 4.357 4.340 -0.000 0.000 0.213 129 R C 0.573 176.847 176.300 -0.044 0.000 1.068 129 R CA 0.289 56.363 56.100 -0.044 0.000 1.004 129 R CB -0.140 30.137 30.300 -0.037 0.000 0.873 129 R HN 0.177 nan 8.270 nan 0.000 0.467 130 R N 0.751 121.216 120.500 -0.057 0.000 3.531 130 R HA -0.200 4.140 4.340 -0.000 0.000 0.280 130 R C -1.282 174.993 176.300 -0.041 0.000 1.130 130 R CA 0.799 56.869 56.100 -0.050 0.000 0.757 130 R CB -1.597 28.680 30.300 -0.039 0.000 1.218 130 R HN 0.350 nan 8.270 nan 0.000 0.454 131 N N -1.094 117.579 118.700 -0.045 0.000 2.521 131 N HA 0.593 5.333 4.740 -0.000 0.000 0.269 131 N C -1.166 174.319 175.510 -0.042 0.000 1.079 131 N CA 0.325 53.352 53.050 -0.038 0.000 0.980 131 N CB 2.184 40.654 38.487 -0.029 0.000 1.667 131 N HN 0.313 nan 8.380 nan 0.000 0.498 132 G N 1.599 110.375 108.800 -0.041 0.000 2.519 132 G HA2 0.494 4.454 3.960 -0.000 0.000 0.292 132 G HA3 0.494 4.454 3.960 -0.000 0.000 0.292 132 G C -2.022 172.853 174.900 -0.042 0.000 1.507 132 G CA -0.761 44.314 45.100 -0.042 0.000 0.806 132 G HN 0.376 nan 8.290 nan 0.000 0.523 133 R N 0.434 120.912 120.500 -0.037 0.000 2.502 133 R HA 0.471 4.811 4.340 -0.000 0.000 0.298 133 R C -1.047 175.234 176.300 -0.032 0.000 1.018 133 R CA -0.696 55.381 56.100 -0.038 0.000 0.899 133 R CB 1.539 31.820 30.300 -0.032 0.000 1.181 133 R HN 0.503 nan 8.270 nan 0.000 0.444 134 I N 4.682 125.231 120.570 -0.035 0.000 2.355 134 I HA 0.451 4.621 4.170 -0.000 0.000 0.288 134 I C 0.022 176.128 176.117 -0.018 0.000 0.999 134 I CA -0.377 60.910 61.300 -0.021 0.000 1.163 134 I CB 1.327 39.315 38.000 -0.020 0.000 1.316 134 I HN 0.371 nan 8.210 nan 0.000 0.454 135 I N 6.531 127.097 120.570 -0.006 0.000 2.439 135 I HA 0.335 4.504 4.170 -0.000 0.000 0.283 135 I C -0.772 175.348 176.117 0.005 0.000 1.023 135 I CA -0.584 60.713 61.300 -0.006 0.000 1.100 135 I CB 1.203 39.200 38.000 -0.006 0.000 1.238 135 I HN 0.492 nan 8.210 nan 0.000 0.445 136 N N 7.250 125.953 118.700 0.006 0.000 2.408 136 N HA 0.434 5.173 4.740 -0.000 0.000 0.280 136 N C -0.624 174.880 175.510 -0.010 0.000 1.002 136 N CA -0.550 52.508 53.050 0.013 0.000 0.907 136 N CB 2.445 40.959 38.487 0.045 0.000 1.161 136 N HN 0.376 nan 8.380 nan 0.000 0.488 137 I N 1.570 122.133 120.570 -0.011 0.000 2.291 137 I HA 0.113 4.282 4.170 -0.000 0.000 0.292 137 I C 1.431 177.524 176.117 -0.040 0.000 1.064 137 I CA 0.054 61.342 61.300 -0.021 0.000 1.269 137 I CB 0.082 38.080 38.000 -0.003 0.000 1.418 137 I HN 0.417 nan 8.210 nan 0.000 0.485 138 T N 4.209 118.726 114.554 -0.062 0.000 3.210 138 T HA 0.476 4.825 4.350 -0.000 0.000 0.290 138 T C 0.067 174.719 174.700 -0.080 0.000 1.229 138 T CA -0.208 61.836 62.100 -0.094 0.000 0.920 138 T CB 1.304 70.115 68.868 -0.095 0.000 2.279 138 T HN 0.605 nan 8.240 nan 0.000 0.552 139 S N -1.241 114.412 115.700 -0.079 0.000 2.547 139 S HA 0.366 4.836 4.470 -0.000 0.000 0.270 139 S C 0.767 175.373 174.600 0.008 0.000 1.150 139 S CA -0.338 57.846 58.200 -0.027 0.000 0.850 139 S CB 0.971 64.205 63.200 0.056 0.000 1.118 139 S HN 0.719 nan 8.310 nan 0.000 0.461 140 I N 3.608 124.200 120.570 0.036 0.000 2.185 140 I HA -0.131 4.038 4.170 -0.000 0.000 0.246 140 I C 1.697 177.882 176.117 0.114 0.000 1.088 140 I CA 1.895 63.270 61.300 0.125 0.000 1.347 140 I CB -0.094 37.976 38.000 0.117 0.000 1.041 140 I HN 0.583 nan 8.210 nan 0.000 0.415 141 V N 1.195 121.166 119.914 0.094 0.000 2.759 141 V HA -0.185 3.935 4.120 -0.000 0.000 0.256 141 V C 2.387 178.526 176.094 0.075 0.000 1.080 141 V CA 1.817 64.191 62.300 0.123 0.000 1.101 141 V CB -0.908 31.030 31.823 0.192 0.000 0.698 141 V HN 0.689 nan 8.190 nan 0.000 0.477 142 G N -0.174 108.636 108.800 0.017 0.000 2.471 142 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 142 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 142 G C 1.544 176.462 174.900 0.030 0.000 1.125 142 G CA 1.422 46.510 45.100 -0.020 0.000 0.775 142 G HN 0.625 nan 8.290 nan 0.000 0.548 143 V N -1.733 118.226 119.914 0.075 0.000 3.263 143 V HA 0.130 4.250 4.120 -0.000 0.000 0.248 143 V C 2.475 178.604 176.094 0.058 0.000 1.145 143 V CA 1.829 64.179 62.300 0.083 0.000 1.107 143 V CB -0.097 31.818 31.823 0.153 0.000 0.797 143 V HN 0.311 nan 8.190 nan 0.000 0.467 144 T N -2.355 112.239 114.554 0.068 0.000 3.044 144 T HA 0.483 4.833 4.350 -0.000 0.000 0.255 144 T C 1.314 176.049 174.700 0.059 0.000 1.073 144 T CA 0.832 62.967 62.100 0.059 0.000 1.125 144 T CB -0.275 68.638 68.868 0.076 0.000 0.908 144 T HN 1.904 nan 8.240 nan 0.000 0.480 145 G N 1.008 109.850 108.800 0.070 0.000 2.787 145 G HA2 0.076 4.036 3.960 -0.000 0.000 0.685 145 G HA3 0.076 4.036 3.960 -0.000 0.000 0.685 145 G C -0.925 174.036 174.900 0.103 0.000 1.437 145 G CA -0.394 44.751 45.100 0.075 0.000 0.872 145 G HN 0.810 nan 8.290 nan 0.000 0.566 146 N N 0.198 118.964 118.700 0.111 0.000 2.554 146 N HA 0.585 5.324 4.740 -0.000 0.000 0.271 146 N C -2.711 172.866 175.510 0.111 0.000 1.081 146 N CA -0.856 52.270 53.050 0.127 0.000 0.994 146 N CB 2.366 40.961 38.487 0.181 0.000 1.641 146 N HN 0.489 nan 8.380 nan 0.000 0.511 147 P HA 0.249 nan 4.420 nan 0.000 0.269 147 P C 0.699 178.060 177.300 0.102 0.000 1.209 147 P CA 0.595 63.746 63.100 0.085 0.000 0.776 147 P CB 0.546 32.285 31.700 0.065 0.000 0.876 148 G N 1.619 110.489 108.800 0.117 0.000 2.176 148 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.253 148 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.253 148 G C 0.295 175.277 174.900 0.137 0.000 0.979 148 G CA -0.023 45.148 45.100 0.118 0.000 0.641 148 G HN 0.615 nan 8.290 nan 0.000 0.530 149 Q N -0.687 119.210 119.800 0.161 0.000 2.144 149 Q HA 0.627 4.967 4.340 -0.000 0.000 0.305 149 Q C 1.857 177.996 176.000 0.231 0.000 0.876 149 Q CA 0.274 56.197 55.803 0.200 0.000 1.130 149 Q CB 0.940 29.808 28.738 0.217 0.000 1.267 149 Q HN 0.585 nan 8.270 nan 0.000 0.433 150 A N 1.967 124.938 122.820 0.252 0.000 1.927 150 A HA -0.316 4.004 4.320 -0.000 0.000 0.220 150 A C 1.924 179.732 177.584 0.373 0.000 1.185 150 A CA 2.473 54.683 52.037 0.289 0.000 0.639 150 A CB -0.438 18.776 19.000 0.356 0.000 0.820 150 A HN 0.607 nan 8.150 nan 0.000 0.451 151 N N -1.468 117.454 118.700 0.370 0.000 2.106 151 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 151 N C 1.687 177.166 175.510 -0.051 0.000 1.029 151 N CA 1.916 55.012 53.050 0.076 0.000 0.848 151 N CB -1.003 37.550 38.487 0.110 0.000 1.007 151 N HN 0.526 nan 8.380 nan 0.000 0.423 152 Y N 1.216 121.495 120.300 -0.035 0.000 2.114 152 Y HA -0.160 4.389 4.550 -0.001 0.000 0.284 152 Y C 2.419 178.294 175.900 -0.042 0.000 1.143 152 Y CA 1.314 59.384 58.100 -0.050 0.000 1.135 152 Y CB -0.667 37.788 38.460 -0.010 0.000 0.980 152 Y HN 0.181 nan 8.280 nan 0.000 0.499 153 C N 0.127 119.453 119.300 0.043 0.000 2.413 153 C HA -0.156 4.304 4.460 -0.000 0.000 0.276 153 C C 3.042 177.992 174.990 -0.067 0.000 1.248 153 C CA 1.059 60.064 59.018 -0.022 0.000 1.742 153 C CB -1.837 25.951 27.740 0.079 0.000 2.017 153 C HN 0.724 nan 8.230 nan 0.000 0.481 154 A N 1.423 124.225 122.820 -0.031 0.000 1.883 154 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 154 A C 2.349 179.845 177.584 -0.147 0.000 1.186 154 A CA 2.656 54.671 52.037 -0.036 0.000 0.624 154 A CB -1.079 17.944 19.000 0.039 0.000 0.822 154 A HN 0.707 nan 8.150 nan 0.000 0.444 155 S N -0.467 115.078 115.700 -0.259 0.000 2.370 155 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 155 S C 1.909 176.355 174.600 -0.257 0.000 1.033 155 S CA 1.621 59.653 58.200 -0.281 0.000 1.011 155 S CB -0.276 62.731 63.200 -0.322 0.000 0.852 155 S HN 0.415 nan 8.310 nan 0.000 0.457 156 K N 1.760 121.959 120.400 -0.335 0.000 2.116 156 K HA 0.322 4.641 4.320 -0.000 0.000 0.203 156 K C 2.523 179.035 176.600 -0.148 0.000 1.052 156 K CA 1.169 57.277 56.287 -0.299 0.000 0.952 156 K CB -1.232 30.996 32.500 -0.453 0.000 0.729 156 K HN 0.504 nan 8.250 nan 0.000 0.446 157 A N 0.962 123.718 122.820 -0.107 0.000 1.902 157 A HA -0.055 4.264 4.320 -0.000 0.000 0.217 157 A C 2.438 180.009 177.584 -0.021 0.000 1.181 157 A CA 2.017 54.030 52.037 -0.041 0.000 0.623 157 A CB -1.045 17.944 19.000 -0.017 0.000 0.818 157 A HN 0.353 nan 8.150 nan 0.000 0.443 158 G N -0.256 108.522 108.800 -0.037 0.000 2.408 158 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.217 158 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.217 158 G C 1.460 176.380 174.900 0.033 0.000 1.150 158 G CA 1.113 46.208 45.100 -0.007 0.000 0.776 158 G HN 0.461 nan 8.290 nan 0.000 0.542 159 L N 0.934 122.152 121.223 -0.009 0.000 2.013 159 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 159 L C 2.687 179.630 176.870 0.121 0.000 1.073 159 L CA 1.541 56.413 54.840 0.053 0.000 0.753 159 L CB -0.466 41.576 42.059 -0.030 0.000 0.890 159 L HN 0.292 nan 8.230 nan 0.000 0.432 160 I N -0.745 119.851 120.570 0.043 0.000 2.179 160 I HA -0.235 3.934 4.170 -0.000 0.000 0.242 160 I C 2.486 178.626 176.117 0.039 0.000 1.088 160 I CA 1.394 62.710 61.300 0.027 0.000 1.357 160 I CB -1.149 36.852 38.000 0.002 0.000 1.051 160 I HN 0.427 nan 8.210 nan 0.000 0.409 161 G N 0.596 109.429 108.800 0.055 0.000 2.418 161 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 161 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 161 G C 1.605 176.549 174.900 0.074 0.000 1.158 161 G CA 0.563 45.693 45.100 0.051 0.000 0.771 161 G HN 0.342 nan 8.290 nan 0.000 0.545 162 F N 2.538 122.479 119.950 -0.013 0.000 2.065 162 F HA -0.173 4.354 4.527 0.001 0.000 0.298 162 F C 2.863 178.664 175.800 0.001 0.000 1.112 162 F CA 2.075 60.076 58.000 0.002 0.000 1.212 162 F CB -0.520 38.487 39.000 0.012 0.000 0.975 162 F HN 0.163 nan 8.300 nan 0.000 0.476 163 S N 0.526 116.152 115.700 -0.124 0.000 2.370 163 S HA -0.231 4.239 4.470 -0.000 0.000 0.226 163 S C 1.876 176.345 174.600 -0.218 0.000 1.033 163 S CA 1.702 59.764 58.200 -0.230 0.000 1.011 163 S CB -0.405 62.765 63.200 -0.049 0.000 0.852 163 S HN 0.438 nan 8.310 nan 0.000 0.457 164 K N 1.039 121.362 120.400 -0.128 0.000 2.057 164 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 164 K C 2.578 179.101 176.600 -0.128 0.000 1.049 164 K CA 1.401 57.626 56.287 -0.104 0.000 0.931 164 K CB -0.382 32.084 32.500 -0.057 0.000 0.714 164 K HN 0.274 nan 8.250 nan 0.000 0.440 165 S N 1.206 116.820 115.700 -0.142 0.000 2.356 165 S HA -0.131 4.339 4.470 -0.000 0.000 0.223 165 S C 1.972 176.464 174.600 -0.179 0.000 1.032 165 S CA 0.911 59.034 58.200 -0.127 0.000 1.005 165 S CB -0.207 62.941 63.200 -0.087 0.000 0.867 165 S HN 0.226 nan 8.310 nan 0.000 0.449 166 L N 1.940 122.968 121.223 -0.325 0.000 2.046 166 L HA 0.126 4.466 4.340 -0.000 0.000 0.208 166 L C 2.532 179.274 176.870 -0.212 0.000 1.077 166 L CA 2.042 56.685 54.840 -0.327 0.000 0.747 166 L CB -1.314 40.390 42.059 -0.592 0.000 0.896 166 L HN 0.352 nan 8.230 nan 0.000 0.432 167 A N -1.177 121.523 122.820 -0.200 0.000 1.908 167 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 167 A C 2.219 179.735 177.584 -0.114 0.000 1.181 167 A CA 1.970 53.921 52.037 -0.142 0.000 0.627 167 A CB -0.612 18.311 19.000 -0.129 0.000 0.818 167 A HN 0.651 nan 8.150 nan 0.000 0.445 168 Q N -0.916 118.820 119.800 -0.105 0.000 2.084 168 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 168 Q C 2.058 178.017 176.000 -0.069 0.000 0.978 168 Q CA 1.633 57.388 55.803 -0.080 0.000 0.844 168 Q CB -0.154 28.544 28.738 -0.067 0.000 0.898 168 Q HN 0.779 nan 8.270 nan 0.000 0.426 169 E N 0.235 120.390 120.200 -0.076 0.000 2.106 169 E HA -0.141 4.208 4.350 -0.000 0.000 0.192 169 E C 1.712 178.277 176.600 -0.059 0.000 0.984 169 E CA 1.135 57.499 56.400 -0.059 0.000 0.806 169 E CB 0.117 29.782 29.700 -0.058 0.000 0.750 169 E HN 0.491 nan 8.360 nan 0.000 0.458 170 I N -4.246 116.279 120.570 -0.075 0.000 4.154 170 I HA 0.393 4.563 4.170 -0.000 0.000 0.334 170 I C 1.800 177.875 176.117 -0.071 0.000 1.371 170 I CA -0.074 61.181 61.300 -0.075 0.000 1.110 170 I CB 0.623 38.571 38.000 -0.086 0.000 1.085 170 I HN -0.146 nan 8.210 nan 0.000 0.398 171 A N 2.315 125.094 122.820 -0.069 0.000 1.908 171 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 171 A C 2.534 180.092 177.584 -0.043 0.000 1.181 171 A CA 2.401 54.400 52.037 -0.063 0.000 0.627 171 A CB -0.895 18.061 19.000 -0.073 0.000 0.818 171 A HN 0.677 nan 8.150 nan 0.000 0.445 172 S N -1.088 114.590 115.700 -0.037 0.000 2.474 172 S HA -0.056 4.414 4.470 -0.000 0.000 0.235 172 S C 1.521 176.103 174.600 -0.030 0.000 0.997 172 S CA 0.726 58.911 58.200 -0.024 0.000 0.949 172 S CB -0.221 62.967 63.200 -0.021 0.000 0.766 172 S HN 0.436 nan 8.310 nan 0.000 0.517 173 R N 1.873 122.346 120.500 -0.045 0.000 2.356 173 R HA 0.246 4.586 4.340 -0.000 0.000 0.234 173 R C 0.020 176.290 176.300 -0.049 0.000 0.929 173 R CA -0.038 56.029 56.100 -0.055 0.000 1.084 173 R CB -1.194 29.057 30.300 -0.081 0.000 1.105 173 R HN 0.524 nan 8.270 nan 0.000 0.515 174 N N 0.156 118.834 118.700 -0.037 0.000 2.721 174 N HA -0.153 4.586 4.740 -0.000 0.000 0.249 174 N C -0.843 174.643 175.510 -0.040 0.000 1.072 174 N CA 0.798 53.831 53.050 -0.028 0.000 0.710 174 N CB -1.439 37.038 38.487 -0.015 0.000 0.993 174 N HN -0.027 nan 8.380 nan 0.000 0.547 175 V N 0.948 120.829 119.914 -0.054 0.000 2.347 175 V HA 0.372 4.492 4.120 -0.000 0.000 0.280 175 V C 0.935 176.989 176.094 -0.066 0.000 1.021 175 V CA -0.563 61.701 62.300 -0.061 0.000 0.847 175 V CB 1.714 33.495 31.823 -0.071 0.000 0.990 175 V HN 0.353 nan 8.190 nan 0.000 0.444 176 T N 2.146 116.661 114.554 -0.064 0.000 2.907 176 T HA 0.720 5.070 4.350 -0.000 0.000 0.284 176 T C -0.528 174.127 174.700 -0.076 0.000 1.004 176 T CA -0.716 61.340 62.100 -0.073 0.000 1.063 176 T CB 1.871 70.696 68.868 -0.071 0.000 0.992 176 T HN 0.738 nan 8.240 nan 0.000 0.483 177 V N 3.060 122.922 119.914 -0.087 0.000 2.525 177 V HA 0.676 4.796 4.120 -0.000 0.000 0.299 177 V C -1.609 174.439 176.094 -0.076 0.000 1.034 177 V CA -0.658 61.592 62.300 -0.085 0.000 0.863 177 V CB 1.364 33.118 31.823 -0.116 0.000 0.999 177 V HN 1.045 nan 8.190 nan 0.000 0.423 178 N N 4.117 122.784 118.700 -0.054 0.000 2.455 178 N HA 0.641 5.381 4.740 -0.000 0.000 0.278 178 N C -1.564 173.925 175.510 -0.034 0.000 1.291 178 N CA -0.286 52.737 53.050 -0.045 0.000 0.780 178 N CB 2.222 40.685 38.487 -0.039 0.000 1.520 178 N HN 0.700 nan 8.380 nan 0.000 0.486 179 C N 0.950 120.223 119.300 -0.044 0.000 2.507 179 C HA 0.644 5.103 4.460 -0.000 0.000 0.319 179 C C 0.103 175.046 174.990 -0.078 0.000 1.208 179 C CA -0.590 58.396 59.018 -0.054 0.000 1.619 179 C CB 0.616 28.317 27.740 -0.065 0.000 2.230 179 C HN 0.549 nan 8.230 nan 0.000 0.492 180 I N 2.398 122.925 120.570 -0.072 0.000 2.404 180 I HA 0.538 4.707 4.170 -0.000 0.000 0.293 180 I C 0.308 176.354 176.117 -0.117 0.000 0.992 180 I CA -0.120 61.127 61.300 -0.087 0.000 1.149 180 I CB 1.402 39.379 38.000 -0.037 0.000 1.315 180 I HN 0.754 nan 8.210 nan 0.000 0.446 181 A N 8.127 130.836 122.820 -0.185 0.000 2.511 181 A HA 0.659 4.978 4.320 -0.000 0.000 0.340 181 A C -2.603 174.950 177.584 -0.050 0.000 1.396 181 A CA -1.564 50.380 52.037 -0.156 0.000 0.887 181 A CB -0.251 18.543 19.000 -0.344 0.000 1.145 181 A HN 0.318 nan 8.150 nan 0.000 0.497 182 P HA 0.271 nan 4.420 nan 0.000 0.271 182 P C 0.922 178.201 177.300 -0.036 0.000 1.218 182 P CA 0.248 63.334 63.100 -0.025 0.000 0.780 182 P CB 1.273 32.948 31.700 -0.041 0.000 0.901 183 G N 1.276 110.075 108.800 -0.001 0.000 3.086 183 G HA2 0.239 4.199 3.960 -0.000 0.000 0.159 183 G HA3 0.239 4.199 3.960 -0.000 0.000 0.159 183 G C -0.860 173.957 174.900 -0.138 0.000 1.654 183 G CA -0.388 44.716 45.100 0.007 0.000 1.078 183 G HN 0.359 nan 8.290 nan 0.000 0.558 184 F N 1.041 121.016 119.950 0.041 0.000 2.390 184 F HA 0.406 4.933 4.527 -0.000 0.000 0.361 184 F C 0.174 175.988 175.800 0.024 0.000 1.124 184 F CA -0.468 57.550 58.000 0.030 0.000 1.149 184 F CB 1.225 40.239 39.000 0.023 0.000 1.160 184 F HN -0.113 nan 8.300 nan 0.000 0.501 185 I N 3.101 123.722 120.570 0.084 0.000 2.437 185 I HA 0.194 4.364 4.170 -0.000 0.000 0.298 185 I C 0.443 176.604 176.117 0.074 0.000 0.984 185 I CA -0.854 60.481 61.300 0.058 0.000 1.214 185 I CB 1.297 39.304 38.000 0.011 0.000 1.365 185 I HN 0.620 nan 8.210 nan 0.000 0.469 199 D N 1.833 122.196 120.400 -0.061 0.000 2.219 199 D HA 0.025 4.665 4.640 -0.000 0.000 0.205 199 D C 1.626 177.888 176.300 -0.063 0.000 0.970 199 D CA 1.274 55.242 54.000 -0.052 0.000 0.851 199 D CB 0.006 40.786 40.800 -0.035 0.000 0.943 199 D HN 0.420 nan 8.370 nan 0.000 0.488 200 A N 0.628 123.403 122.820 -0.075 0.000 1.858 200 A HA -0.155 4.164 4.320 -0.000 0.000 0.216 200 A C 2.293 179.806 177.584 -0.118 0.000 1.190 200 A CA 0.964 52.952 52.037 -0.081 0.000 0.617 200 A CB -0.771 18.183 19.000 -0.078 0.000 0.827 200 A HN 0.182 nan 8.150 nan 0.000 0.443 201 I N -1.513 118.945 120.570 -0.187 0.000 2.127 201 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 201 I C 2.669 178.681 176.117 -0.175 0.000 1.075 201 I CA 2.096 63.219 61.300 -0.295 0.000 1.334 201 I CB -0.280 37.405 38.000 -0.525 0.000 1.040 201 I HN 0.354 nan 8.210 nan 0.000 0.405 202 M N 1.061 120.590 119.600 -0.119 0.000 2.149 202 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 202 M C 2.057 178.332 176.300 -0.041 0.000 1.064 202 M CA 1.969 57.234 55.300 -0.059 0.000 1.102 202 M CB -0.949 31.626 32.600 -0.041 0.000 1.369 202 M HN 0.252 nan 8.290 nan 0.000 0.408 203 G N -0.500 108.272 108.800 -0.047 0.000 2.462 203 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 203 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 203 G C 1.320 176.205 174.900 -0.026 0.000 1.121 203 G CA 0.951 46.031 45.100 -0.032 0.000 0.758 203 G HN 0.488 nan 8.290 nan 0.000 0.559 204 N N 0.120 118.799 118.700 -0.034 0.000 2.270 204 N HA 0.164 4.904 4.740 -0.000 0.000 0.198 204 N C 0.019 175.530 175.510 0.002 0.000 1.117 204 N CA 0.044 53.083 53.050 -0.017 0.000 0.845 204 N CB 0.576 39.050 38.487 -0.022 0.000 0.980 204 N HN 0.280 nan 8.380 nan 0.000 0.486 205 I N 1.514 122.085 120.570 0.002 0.000 2.330 205 I HA 0.225 4.395 4.170 -0.000 0.000 0.286 205 I C -1.542 174.584 176.117 0.014 0.000 1.025 205 I CA -1.977 59.336 61.300 0.022 0.000 1.197 205 I CB 1.883 39.903 38.000 0.034 0.000 1.358 205 I HN -0.328 nan 8.210 nan 0.000 0.467 206 P HA -0.164 nan 4.420 nan 0.000 0.217 206 P C 1.665 178.971 177.300 0.010 0.000 1.151 206 P CA 1.620 64.725 63.100 0.010 0.000 0.849 206 P CB 0.204 31.909 31.700 0.009 0.000 0.787 207 M N -2.368 117.241 119.600 0.016 0.000 2.476 207 M HA -0.047 4.432 4.480 -0.000 0.000 0.262 207 M C 0.273 176.581 176.300 0.014 0.000 1.079 207 M CA 1.028 56.337 55.300 0.015 0.000 1.104 207 M CB -0.392 32.220 32.600 0.020 0.000 1.409 207 M HN -0.263 nan 8.290 nan 0.000 0.467 208 K N 1.101 121.509 120.400 0.014 0.000 3.192 208 K HA -0.178 4.141 4.320 -0.000 0.000 0.278 208 K C -0.398 176.210 176.600 0.012 0.000 1.164 208 K CA 0.761 57.054 56.287 0.009 0.000 0.816 208 K CB -1.208 31.294 32.500 0.004 0.000 1.256 208 K HN 0.658 nan 8.250 nan 0.000 0.497 209 R N -1.591 118.922 120.500 0.021 0.000 2.739 209 R HA 0.551 4.891 4.340 -0.000 0.000 0.271 209 R C -0.517 175.808 176.300 0.043 0.000 1.010 209 R CA -1.239 54.877 56.100 0.026 0.000 0.897 209 R CB 0.878 31.191 30.300 0.022 0.000 1.236 209 R HN -0.102 nan 8.270 nan 0.000 0.466 210 M N 1.412 121.041 119.600 0.049 0.000 2.241 210 M HA 0.255 4.734 4.480 -0.000 0.000 0.335 210 M C 0.848 177.186 176.300 0.063 0.000 1.122 210 M CA 0.015 55.360 55.300 0.075 0.000 1.164 210 M CB 0.971 33.615 32.600 0.074 0.000 1.459 210 M HN 0.932 nan 8.290 nan 0.000 0.461 211 G N 1.257 110.102 108.800 0.074 0.000 2.569 211 G HA2 0.469 4.429 3.960 -0.000 0.000 0.249 211 G HA3 0.469 4.429 3.960 -0.000 0.000 0.249 211 G C -0.245 174.680 174.900 0.040 0.000 1.216 211 G CA -0.556 44.574 45.100 0.050 0.000 0.845 211 G HN 0.706 nan 8.290 nan 0.000 0.568 212 V N -0.540 119.391 119.914 0.028 0.000 3.096 212 V HA 0.828 4.948 4.120 -0.000 0.000 0.319 212 V C 1.449 177.553 176.094 0.018 0.000 1.103 212 V CA 0.009 62.323 62.300 0.023 0.000 1.016 212 V CB 1.229 33.064 31.823 0.019 0.000 1.090 212 V HN 0.890 nan 8.190 nan 0.000 0.449 213 G N 0.385 109.194 108.800 0.016 0.000 2.469 213 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 213 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 213 G C 1.446 176.354 174.900 0.013 0.000 1.150 213 G CA 1.389 46.498 45.100 0.014 0.000 0.763 213 G HN 1.524 nan 8.290 nan 0.000 0.561 214 A N 0.888 123.716 122.820 0.013 0.000 2.024 214 A HA -0.071 4.249 4.320 -0.000 0.000 0.220 214 A C 2.058 179.645 177.584 0.005 0.000 1.164 214 A CA 2.046 54.089 52.037 0.010 0.000 0.643 214 A CB -0.329 18.677 19.000 0.010 0.000 0.806 214 A HN 0.313 nan 8.150 nan 0.000 0.451 215 D N -0.040 120.364 120.400 0.006 0.000 2.144 215 D HA -0.112 4.527 4.640 -0.000 0.000 0.200 215 D C 1.777 178.076 176.300 -0.000 0.000 0.978 215 D CA 1.018 55.019 54.000 0.001 0.000 0.833 215 D CB -0.139 40.666 40.800 0.008 0.000 0.961 215 D HN 0.374 nan 8.370 nan 0.000 0.470 216 I N 1.048 121.621 120.570 0.005 0.000 2.400 216 I HA -0.046 4.124 4.170 -0.000 0.000 0.248 216 I C 2.524 178.647 176.117 0.009 0.000 1.109 216 I CA 0.331 61.634 61.300 0.005 0.000 1.425 216 I CB -1.393 36.610 38.000 0.005 0.000 1.094 216 I HN -0.156 nan 8.210 nan 0.000 0.425 217 A N 1.229 124.056 122.820 0.012 0.000 1.908 217 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 217 A C 2.557 180.148 177.584 0.012 0.000 1.181 217 A CA 2.196 54.243 52.037 0.018 0.000 0.627 217 A CB -0.797 18.216 19.000 0.022 0.000 0.818 217 A HN 0.400 nan 8.150 nan 0.000 0.445 218 A N -0.296 122.523 122.820 -0.002 0.000 1.930 218 A HA 0.190 4.510 4.320 -0.000 0.000 0.217 218 A C 2.497 180.071 177.584 -0.016 0.000 1.175 218 A CA 1.992 54.015 52.037 -0.024 0.000 0.627 218 A CB -0.970 18.003 19.000 -0.045 0.000 0.815 218 A HN 1.070 nan 8.150 nan 0.000 0.443 219 A N -0.512 122.309 122.820 0.003 0.000 1.902 219 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 219 A C 2.223 179.851 177.584 0.074 0.000 1.181 219 A CA 1.774 53.839 52.037 0.047 0.000 0.623 219 A CB -0.918 18.098 19.000 0.027 0.000 0.818 219 A HN 0.375 nan 8.150 nan 0.000 0.443 220 V N -0.383 119.553 119.914 0.037 0.000 2.295 220 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 220 V C 2.585 178.695 176.094 0.027 0.000 1.049 220 V CA 2.003 64.320 62.300 0.028 0.000 1.024 220 V CB -0.801 31.036 31.823 0.025 0.000 0.648 220 V HN 0.377 nan 8.190 nan 0.000 0.447 221 V N -0.650 119.282 119.914 0.029 0.000 2.287 221 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 221 V C 2.229 178.343 176.094 0.034 0.000 1.053 221 V CA 2.699 65.018 62.300 0.031 0.000 1.027 221 V CB -0.834 30.999 31.823 0.017 0.000 0.646 221 V HN 0.692 nan 8.190 nan 0.000 0.447 222 Y N 0.607 120.831 120.300 -0.128 0.000 2.097 222 Y HA -0.236 4.313 4.550 -0.000 0.000 0.282 222 Y C 2.189 178.104 175.900 0.024 0.000 1.152 222 Y CA 1.820 59.831 58.100 -0.149 0.000 1.136 222 Y CB -0.426 37.888 38.460 -0.243 0.000 0.975 222 Y HN 0.159 nan 8.280 nan 0.000 0.498 223 L N -0.165 120.918 121.223 -0.233 0.000 2.201 223 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 223 L C 2.631 179.392 176.870 -0.181 0.000 1.105 223 L CA 0.990 55.657 54.840 -0.290 0.000 0.775 223 L CB -0.803 41.203 42.059 -0.088 0.000 0.913 223 L HN 0.367 nan 8.230 nan 0.000 0.440 224 A N -0.385 122.383 122.820 -0.087 0.000 2.119 224 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 224 A C 1.465 179.036 177.584 -0.022 0.000 1.152 224 A CA 0.626 52.641 52.037 -0.038 0.000 0.708 224 A CB -0.365 18.635 19.000 0.000 0.000 0.805 224 A HN 0.442 nan 8.150 nan 0.000 0.460 225 S N -0.097 115.595 115.700 -0.013 0.000 2.593 225 S HA 0.135 4.604 4.470 -0.000 0.000 0.269 225 S C 0.315 174.915 174.600 -0.001 0.000 1.334 225 S CA -0.063 58.175 58.200 0.064 0.000 1.015 225 S CB 0.684 64.061 63.200 0.294 0.000 0.912 225 S HN 0.317 nan 8.310 nan 0.000 0.541 226 D N 1.486 121.886 120.400 -0.000 0.000 2.182 226 D HA -0.096 4.544 4.640 -0.000 0.000 0.201 226 D C 1.535 177.817 176.300 -0.030 0.000 0.986 226 D CA 1.371 55.358 54.000 -0.023 0.000 0.847 226 D CB -0.299 40.483 40.800 -0.030 0.000 0.942 226 D HN 0.755 nan 8.370 nan 0.000 0.467 227 E N 0.307 120.485 120.200 -0.036 0.000 2.333 227 E HA -0.032 4.318 4.350 -0.000 0.000 0.198 227 E C 1.378 177.991 176.600 0.021 0.000 1.007 227 E CA 0.764 57.148 56.400 -0.026 0.000 0.845 227 E CB -0.060 29.568 29.700 -0.119 0.000 0.766 227 E HN 0.209 nan 8.360 nan 0.000 0.507 228 A N -0.018 122.753 122.820 -0.083 0.000 2.460 228 A HA 0.514 4.833 4.320 -0.000 0.000 0.258 228 A C 1.826 179.368 177.584 -0.070 0.000 1.300 228 A CA 0.459 52.382 52.037 -0.191 0.000 0.913 228 A CB -0.095 18.558 19.000 -0.578 0.000 1.031 228 A HN 0.204 nan 8.150 nan 0.000 0.512 229 A N -1.100 121.717 122.820 -0.006 0.000 2.070 229 A HA -0.124 4.195 4.320 -0.000 0.000 0.220 229 A C 1.616 179.262 177.584 0.103 0.000 1.159 229 A CA 1.338 53.391 52.037 0.027 0.000 0.656 229 A CB -0.528 18.489 19.000 0.028 0.000 0.800 229 A HN 0.617 nan 8.150 nan 0.000 0.453 230 Y N -0.283 120.001 120.300 -0.028 0.000 2.461 230 Y HA 0.297 4.847 4.550 0.000 0.000 0.277 230 Y C 0.109 176.006 175.900 -0.005 0.000 1.182 230 Y CA -0.662 57.431 58.100 -0.012 0.000 1.276 230 Y CB 0.247 38.709 38.460 0.004 0.000 1.087 230 Y HN 0.007 nan 8.280 nan 0.000 0.519 231 V N 0.820 120.720 119.914 -0.023 0.000 2.333 231 V HA 0.424 4.544 4.120 -0.000 0.000 0.274 231 V C 0.072 176.109 176.094 -0.096 0.000 1.028 231 V CA -0.287 61.977 62.300 -0.060 0.000 0.851 231 V CB 1.144 32.961 31.823 -0.009 0.000 1.000 231 V HN 0.141 nan 8.190 nan 0.000 0.456 232 T N 2.880 117.358 114.554 -0.126 0.000 2.923 232 T HA 0.601 4.951 4.350 -0.000 0.000 0.311 232 T C 0.554 175.194 174.700 -0.100 0.000 1.183 232 T CA 0.596 62.629 62.100 -0.111 0.000 1.020 232 T CB 1.488 70.282 68.868 -0.122 0.000 1.165 232 T HN 1.487 nan 8.240 nan 0.000 0.482 233 G N 2.643 111.391 108.800 -0.088 0.000 2.160 233 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.251 233 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.251 233 G C -0.074 174.794 174.900 -0.053 0.000 1.008 233 G CA 0.246 45.300 45.100 -0.077 0.000 0.724 233 G HN 0.686 nan 8.290 nan 0.000 0.514 234 Q N -0.369 119.404 119.800 -0.044 0.000 2.240 234 Q HA 0.749 5.089 4.340 -0.000 0.000 0.260 234 Q C -0.193 175.787 176.000 -0.033 0.000 1.018 234 Q CA -0.272 55.517 55.803 -0.023 0.000 0.898 234 Q CB 1.571 30.307 28.738 -0.002 0.000 1.301 234 Q HN 0.174 nan 8.270 nan 0.000 0.469 235 T N 1.727 116.260 114.554 -0.035 0.000 2.864 235 T HA 0.331 4.680 4.350 -0.000 0.000 0.299 235 T C -0.862 173.750 174.700 -0.148 0.000 1.011 235 T CA -0.497 61.530 62.100 -0.122 0.000 0.975 235 T CB 0.524 69.296 68.868 -0.159 0.000 0.962 235 T HN 0.258 nan 8.240 nan 0.000 0.448 236 L N 5.015 126.156 121.223 -0.136 0.000 2.261 236 L HA 0.444 4.783 4.340 -0.000 0.000 0.289 236 L C -0.579 176.200 176.870 -0.152 0.000 1.059 236 L CA -0.287 54.513 54.840 -0.066 0.000 0.816 236 L CB -0.286 41.782 42.059 0.015 0.000 1.191 236 L HN 0.613 nan 8.230 nan 0.000 0.431 237 H N 3.580 122.657 119.070 0.013 0.000 2.668 237 H HA 0.498 5.053 4.556 -0.001 0.000 0.303 237 H C -0.608 174.724 175.328 0.006 0.000 1.074 237 H CA -0.159 55.895 56.048 0.010 0.000 1.406 237 H CB 1.096 30.865 29.762 0.012 0.000 1.442 237 H HN 0.400 nan 8.280 nan 0.000 0.482 238 V N 4.844 124.812 119.914 0.091 0.000 2.289 238 V HA 0.168 4.288 4.120 -0.000 0.000 0.272 238 V C 0.238 176.372 176.094 0.066 0.000 1.026 238 V CA -0.557 61.776 62.300 0.056 0.000 0.807 238 V CB 0.264 32.099 31.823 0.020 0.000 1.044 238 V HN 1.078 nan 8.190 nan 0.000 0.443 239 N N 2.581 121.327 118.700 0.077 0.000 2.162 239 N HA 0.157 4.897 4.740 -0.000 0.000 0.232 239 N C 1.021 176.579 175.510 0.081 0.000 1.361 239 N CA 0.079 53.184 53.050 0.091 0.000 0.786 239 N CB 1.274 39.832 38.487 0.120 0.000 1.290 239 N HN 0.754 nan 8.380 nan 0.000 0.505 240 G N 0.776 109.610 108.800 0.057 0.000 2.203 240 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.263 240 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.263 240 G C 0.989 175.912 174.900 0.038 0.000 1.012 240 G CA 0.572 45.699 45.100 0.045 0.000 0.749 240 G HN 1.381 nan 8.290 nan 0.000 0.512 241 G N -1.251 107.572 108.800 0.038 0.000 2.141 241 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.242 241 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.242 241 G C 1.068 175.983 174.900 0.025 0.000 0.982 241 G CA 1.303 46.418 45.100 0.024 0.000 0.662 241 G HN 1.295 nan 8.290 nan 0.000 0.527 242 M N 0.026 119.655 119.600 0.049 0.000 2.213 242 M HA 0.312 4.792 4.480 -0.000 0.000 0.263 242 M C 1.200 177.522 176.300 0.038 0.000 1.062 242 M CA 2.203 57.539 55.300 0.060 0.000 1.105 242 M CB -0.064 32.607 32.600 0.119 0.000 1.385 242 M HN 0.998 nan 8.290 nan 0.000 0.417 243 A N 0.532 123.358 122.820 0.010 0.000 2.455 243 A HA 0.663 4.983 4.320 -0.000 0.000 0.300 243 A C -1.073 176.442 177.584 -0.115 0.000 1.040 243 A CA -0.764 51.242 52.037 -0.050 0.000 0.697 243 A CB 1.194 20.157 19.000 -0.063 0.000 1.265 243 A HN 0.364 nan 8.150 nan 0.000 0.407 244 M N 3.190 122.726 119.600 -0.108 0.000 2.078 244 M HA 0.418 4.898 4.480 -0.000 0.000 0.320 244 M C -1.111 175.113 176.300 -0.126 0.000 0.969 244 M CA -0.288 54.951 55.300 -0.103 0.000 0.929 244 M CB 1.203 33.775 32.600 -0.047 0.000 1.504 244 M HN 0.611 nan 8.290 nan 0.000 0.419 245 I N 0.000 120.468 120.570 -0.170 0.000 2.984 245 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 245 I CA 0.000 61.226 61.300 -0.124 0.000 1.566 245 I CB 0.000 37.895 38.000 -0.176 0.000 1.214 245 I HN 0.000 nan 8.210 nan 0.000 0.494