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 1zmo_1_G DATA FIRST_RESID 2 DATA SEQUENCE VIALVTHARH FAGPAAVEAL TQDGYTVVCH DASFADAAER QRFESENPGT DATA SEQUENCE IALAEQKPER LVDATLQHGE AIDTIVSNDY IPRPMNRLPL EGTSEADIRQ DATA SEQUENCE MFEALSIFPI LLLQSAIAPL RAAGGASVIF ITSSVGKKPL AYNPLYGPAR DATA SEQUENCE AATVALVESA AKTLSRDGIL LYAIGPNFFN NPTYFPTSDW ENNPELRERV DATA SEQUENCE DRDVPLGRLG RPDEMGALIT FLASRRAAPI VGQFFAFTGG YLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.070 176.094 -0.040 0.000 1.182 2 V CA 0.000 62.208 62.300 -0.154 0.000 1.235 2 V CB 0.000 31.574 31.823 -0.415 0.000 1.184 3 I N 2.435 123.045 120.570 0.068 0.000 2.433 3 I HA 0.857 5.027 4.170 -0.000 0.000 0.292 3 I C 0.193 176.450 176.117 0.233 0.000 1.001 3 I CA -0.560 60.830 61.300 0.150 0.000 1.119 3 I CB 1.982 40.041 38.000 0.098 0.000 1.289 3 I HN 0.841 nan 8.210 nan 0.000 0.438 4 A N 6.083 129.042 122.820 0.231 0.000 2.413 4 A HA 0.824 5.144 4.320 -0.000 0.000 0.307 4 A C -1.475 176.145 177.584 0.060 0.000 1.087 4 A CA -0.528 51.581 52.037 0.120 0.000 0.750 4 A CB 1.953 20.937 19.000 -0.028 0.000 1.296 4 A HN 0.561 nan 8.150 nan 0.000 0.423 5 L N 2.107 123.345 121.223 0.026 0.000 2.325 5 L HA 0.704 5.044 4.340 -0.000 0.000 0.281 5 L C -1.281 175.599 176.870 0.017 0.000 1.004 5 L CA -0.328 54.530 54.840 0.029 0.000 0.823 5 L CB 1.528 43.599 42.059 0.020 0.000 1.236 5 L HN 0.379 nan 8.230 nan 0.000 0.415 6 V N 4.042 123.986 119.914 0.050 0.000 2.409 6 V HA 0.562 4.682 4.120 -0.000 0.000 0.291 6 V C 0.377 176.535 176.094 0.106 0.000 1.020 6 V CA -0.291 62.043 62.300 0.057 0.000 0.848 6 V CB 1.744 33.606 31.823 0.066 0.000 0.990 6 V HN 0.898 nan 8.190 nan 0.000 0.430 7 T N 0.871 115.494 114.554 0.116 0.000 2.902 7 T HA 0.379 4.729 4.350 -0.000 0.000 0.280 7 T C 0.363 175.211 174.700 0.246 0.000 0.992 7 T CA -0.351 61.861 62.100 0.186 0.000 1.015 7 T CB 0.544 69.458 68.868 0.078 0.000 1.044 7 T HN 0.777 nan 8.240 nan 0.000 0.520 8 H N -0.274 119.024 119.070 0.380 0.000 2.527 8 H HA -0.199 4.356 4.556 -0.000 0.000 0.321 8 H C 1.524 176.861 175.328 0.015 0.000 1.092 8 H CA 0.544 56.681 56.048 0.149 0.000 1.118 8 H CB -1.619 28.319 29.762 0.293 0.000 1.536 8 H HN 0.935 nan 8.280 nan 0.000 0.407 9 A N 0.698 123.486 122.820 -0.053 0.000 2.024 9 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 9 A C 2.319 179.910 177.584 0.011 0.000 1.164 9 A CA 1.630 53.664 52.037 -0.005 0.000 0.643 9 A CB -0.131 18.859 19.000 -0.017 0.000 0.806 9 A HN 0.547 nan 8.150 nan 0.000 0.451 10 R N -1.260 119.150 120.500 -0.150 0.000 2.317 10 R HA 0.154 4.494 4.340 -0.000 0.000 0.208 10 R C -0.111 175.900 176.300 -0.482 0.000 0.914 10 R CA 0.123 56.082 56.100 -0.235 0.000 1.060 10 R CB 0.096 30.190 30.300 -0.343 0.000 1.015 10 R HN 0.599 nan 8.270 nan 0.000 0.498 11 H N -1.133 117.812 119.070 -0.209 0.000 2.737 11 H HA 0.122 4.678 4.556 -0.000 0.000 0.358 11 H C 0.408 175.605 175.328 -0.218 0.000 1.187 11 H CA -0.984 54.820 56.048 -0.408 0.000 1.221 11 H CB 0.999 30.112 29.762 -1.082 0.000 1.799 11 H HN -0.251 nan 8.280 nan 0.000 0.568 12 F N 0.940 120.682 119.950 -0.348 0.000 2.958 12 F HA -0.447 4.081 4.527 0.000 0.000 0.240 12 F C 1.404 177.221 175.800 0.027 0.000 1.487 12 F CA 1.748 59.651 58.000 -0.162 0.000 1.873 12 F CB -1.413 37.550 39.000 -0.061 0.000 0.531 12 F HN 0.615 nan 8.300 nan 0.000 0.277 13 A N 0.817 123.613 122.820 -0.040 0.000 2.337 13 A HA 0.476 4.795 4.320 -0.000 0.000 0.227 13 A C 1.922 179.509 177.584 0.004 0.000 1.259 13 A CA 1.083 53.097 52.037 -0.037 0.000 0.870 13 A CB -1.232 17.559 19.000 -0.350 0.000 0.927 13 A HN 1.237 nan 8.150 nan 0.000 0.497 14 G N 1.421 110.252 108.800 0.051 0.000 2.480 14 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.216 14 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.216 14 G C -0.289 174.652 174.900 0.069 0.000 1.200 14 G CA 1.268 46.408 45.100 0.067 0.000 0.782 14 G HN 0.463 nan 8.290 nan 0.000 0.554 15 P HA -0.046 nan 4.420 nan 0.000 0.216 15 P C 2.178 179.499 177.300 0.036 0.000 1.150 15 P CA 1.986 65.117 63.100 0.051 0.000 0.837 15 P CB -0.115 31.596 31.700 0.019 0.000 0.786 16 A N -0.076 122.774 122.820 0.050 0.000 1.877 16 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 16 A C 2.321 179.890 177.584 -0.026 0.000 1.186 16 A CA 2.130 54.187 52.037 0.034 0.000 0.620 16 A CB -1.612 17.436 19.000 0.081 0.000 0.822 16 A HN 0.187 nan 8.150 nan 0.000 0.443 17 A N -0.627 122.168 122.820 -0.041 0.000 1.877 17 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 17 A C 2.249 179.804 177.584 -0.049 0.000 1.186 17 A CA 1.754 53.747 52.037 -0.074 0.000 0.620 17 A CB -1.005 17.947 19.000 -0.079 0.000 0.822 17 A HN 0.372 nan 8.150 nan 0.000 0.443 18 V N 0.089 120.007 119.914 0.006 0.000 2.255 18 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 18 V C 2.646 178.739 176.094 -0.002 0.000 1.051 18 V CA 2.584 64.903 62.300 0.031 0.000 1.018 18 V CB -0.741 31.145 31.823 0.106 0.000 0.641 18 V HN 0.739 nan 8.190 nan 0.000 0.445 19 E N 0.574 120.768 120.200 -0.010 0.000 2.058 19 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 19 E C 2.113 178.704 176.600 -0.015 0.000 0.997 19 E CA 1.928 58.317 56.400 -0.018 0.000 0.801 19 E CB -0.549 29.141 29.700 -0.016 0.000 0.746 19 E HN 0.516 nan 8.360 nan 0.000 0.450 20 A N 0.095 122.898 122.820 -0.028 0.000 1.873 20 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 20 A C 2.090 179.655 177.584 -0.032 0.000 1.186 20 A CA 1.283 53.301 52.037 -0.032 0.000 0.616 20 A CB -0.615 18.352 19.000 -0.056 0.000 0.823 20 A HN 0.331 nan 8.150 nan 0.000 0.442 21 L N -0.365 120.807 121.223 -0.085 0.000 2.083 21 L HA -0.103 4.236 4.340 -0.000 0.000 0.209 21 L C 2.738 179.658 176.870 0.084 0.000 1.083 21 L CA 2.421 57.174 54.840 -0.144 0.000 0.752 21 L CB -1.595 40.272 42.059 -0.319 0.000 0.899 21 L HN 0.490 nan 8.230 nan 0.000 0.433 22 T N -1.913 112.673 114.554 0.053 0.000 2.777 22 T HA -0.215 4.135 4.350 -0.000 0.000 0.266 22 T C 1.874 176.615 174.700 0.069 0.000 1.040 22 T CA 1.272 63.418 62.100 0.077 0.000 1.141 22 T CB 0.134 69.020 68.868 0.029 0.000 0.868 22 T HN 0.215 nan 8.240 nan 0.000 0.444 23 Q N 0.512 120.339 119.800 0.044 0.000 2.234 23 Q HA -0.064 4.276 4.340 -0.000 0.000 0.206 23 Q C 1.591 177.628 176.000 0.061 0.000 0.980 23 Q CA 1.512 57.336 55.803 0.036 0.000 0.869 23 Q CB -0.188 28.561 28.738 0.020 0.000 0.912 23 Q HN 0.451 nan 8.270 nan 0.000 0.436 24 D N -2.160 118.307 120.400 0.112 0.000 2.349 24 D HA 0.124 4.764 4.640 -0.000 0.000 0.224 24 D C 0.725 177.113 176.300 0.146 0.000 1.029 24 D CA 0.920 55.017 54.000 0.161 0.000 0.879 24 D CB 0.351 41.317 40.800 0.276 0.000 0.906 24 D HN 0.373 nan 8.370 nan 0.000 0.528 25 G N -0.944 107.930 108.800 0.124 0.000 2.179 25 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 25 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 25 G C -0.052 174.860 174.900 0.020 0.000 0.990 25 G CA -0.390 44.728 45.100 0.031 0.000 0.646 25 G HN 0.248 nan 8.290 nan 0.000 0.517 26 Y N 1.478 121.777 120.300 -0.001 0.000 2.336 26 Y HA 0.521 5.071 4.550 -0.000 0.000 0.331 26 Y C 1.263 177.166 175.900 0.005 0.000 1.211 26 Y CA 0.531 58.633 58.100 0.003 0.000 1.346 26 Y CB 1.064 39.526 38.460 0.005 0.000 1.271 26 Y HN -0.009 nan 8.280 nan 0.000 0.538 27 T N 3.673 118.328 114.554 0.169 0.000 2.747 27 T HA 0.338 4.688 4.350 -0.000 0.000 0.301 27 T C -0.579 174.200 174.700 0.131 0.000 0.952 27 T CA -0.542 61.620 62.100 0.105 0.000 0.983 27 T CB -0.276 68.630 68.868 0.063 0.000 0.930 27 T HN 0.288 nan 8.240 nan 0.000 0.494 28 V N 5.311 125.291 119.914 0.110 0.000 2.385 28 V HA 0.242 4.362 4.120 -0.000 0.000 0.269 28 V C 0.421 176.564 176.094 0.082 0.000 1.043 28 V CA -0.788 61.571 62.300 0.098 0.000 0.906 28 V CB 1.089 32.965 31.823 0.089 0.000 0.995 28 V HN 0.602 nan 8.190 nan 0.000 0.467 29 V N 4.746 124.693 119.914 0.054 0.000 2.432 29 V HA 0.215 4.335 4.120 -0.000 0.000 0.271 29 V C 0.216 176.359 176.094 0.083 0.000 1.046 29 V CA -0.198 62.109 62.300 0.011 0.000 0.945 29 V CB 0.947 32.750 31.823 -0.034 0.000 0.992 29 V HN 1.000 nan 8.190 nan 0.000 0.471 30 C N 5.747 125.122 119.300 0.125 0.000 2.351 30 C HA 0.498 4.958 4.460 -0.000 0.000 0.326 30 C C 0.078 175.242 174.990 0.290 0.000 1.272 30 C CA -0.775 58.371 59.018 0.212 0.000 1.650 30 C CB 0.354 28.267 27.740 0.288 0.000 2.257 30 C HN 0.942 nan 8.230 nan 0.000 0.505 31 H N 2.058 121.177 119.070 0.081 0.000 2.472 31 H HA 0.665 5.221 4.556 -0.000 0.000 0.338 31 H C -1.509 173.610 175.328 -0.348 0.000 1.133 31 H CA 0.156 56.192 56.048 -0.020 0.000 1.216 31 H CB 1.862 31.607 29.762 -0.028 0.000 1.497 31 H HN 0.871 nan 8.280 nan 0.000 0.500 32 D N 1.746 121.237 120.400 -1.514 0.000 2.722 32 D HA 0.320 4.960 4.640 -0.000 0.000 0.231 32 D C 0.142 175.865 176.300 -0.962 0.000 1.218 32 D CA 0.070 53.275 54.000 -1.324 0.000 0.753 32 D CB 1.217 40.955 40.800 -1.771 0.000 1.471 32 D HN 0.559 nan 8.370 nan 0.000 0.455 33 A N 1.245 123.796 122.820 -0.448 0.000 2.019 33 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 33 A C 1.880 179.384 177.584 -0.133 0.000 1.164 33 A CA 1.894 53.829 52.037 -0.170 0.000 0.644 33 A CB -0.566 18.434 19.000 0.001 0.000 0.805 33 A HN 0.598 nan 8.150 nan 0.000 0.449 34 S N -1.408 114.178 115.700 -0.189 0.000 2.562 34 S HA 0.104 4.574 4.470 -0.000 0.000 0.221 34 S C 1.362 176.010 174.600 0.079 0.000 0.975 34 S CA 0.128 58.299 58.200 -0.048 0.000 0.918 34 S CB -0.825 62.368 63.200 -0.011 0.000 0.772 34 S HN 0.538 nan 8.310 nan 0.000 0.531 35 F N 1.319 121.198 119.950 -0.118 0.000 2.802 35 F HA 0.244 4.771 4.527 -0.000 0.000 0.300 35 F C 2.531 178.299 175.800 -0.053 0.000 1.168 35 F CA -0.068 57.866 58.000 -0.110 0.000 1.433 35 F CB -0.077 38.817 39.000 -0.176 0.000 1.115 35 F HN 0.368 nan 8.300 nan 0.000 0.582 36 A N -0.850 122.046 122.820 0.126 0.000 2.121 36 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 36 A C 0.919 178.552 177.584 0.081 0.000 1.154 36 A CA 0.831 52.922 52.037 0.090 0.000 0.679 36 A CB -0.433 18.605 19.000 0.064 0.000 0.795 36 A HN 0.234 nan 8.150 nan 0.000 0.458 37 D N -0.130 120.327 120.400 0.095 0.000 2.359 37 D HA 0.488 5.128 4.640 -0.000 0.000 0.230 37 D C 1.239 177.578 176.300 0.064 0.000 1.118 37 D CA 0.425 54.470 54.000 0.074 0.000 0.844 37 D CB 1.403 42.248 40.800 0.075 0.000 1.059 37 D HN 0.110 nan 8.370 nan 0.000 0.493 38 A N 4.247 127.091 122.820 0.040 0.000 1.927 38 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 38 A C 2.128 179.719 177.584 0.012 0.000 1.185 38 A CA 2.168 54.215 52.037 0.018 0.000 0.639 38 A CB -0.563 18.446 19.000 0.016 0.000 0.820 38 A HN 0.682 nan 8.150 nan 0.000 0.451 39 A N -0.918 121.917 122.820 0.025 0.000 1.972 39 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 39 A C 1.937 179.544 177.584 0.039 0.000 1.169 39 A CA 1.751 53.804 52.037 0.026 0.000 0.635 39 A CB -0.356 18.662 19.000 0.030 0.000 0.810 39 A HN 0.483 nan 8.150 nan 0.000 0.446 40 E N 0.102 120.341 120.200 0.065 0.000 2.072 40 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 40 E C 2.207 178.842 176.600 0.059 0.000 0.982 40 E CA 0.788 57.259 56.400 0.118 0.000 0.803 40 E CB -0.404 29.413 29.700 0.195 0.000 0.755 40 E HN 0.615 nan 8.360 nan 0.000 0.453 41 R N 0.390 120.849 120.500 -0.068 0.000 2.091 41 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 41 R C 2.653 178.854 176.300 -0.165 0.000 1.136 41 R CA 2.018 57.905 56.100 -0.355 0.000 0.959 41 R CB -0.599 29.521 30.300 -0.299 0.000 0.856 41 R HN 0.276 nan 8.270 nan 0.000 0.437 42 Q N 0.804 120.568 119.800 -0.060 0.000 2.123 42 Q HA -0.125 4.215 4.340 -0.000 0.000 0.199 42 Q C 2.336 178.338 176.000 0.003 0.000 0.966 42 Q CA 1.811 57.598 55.803 -0.026 0.000 0.845 42 Q CB -0.966 27.764 28.738 -0.013 0.000 0.907 42 Q HN 0.620 nan 8.270 nan 0.000 0.439 43 R N -0.360 120.161 120.500 0.034 0.000 2.092 43 R HA 0.076 4.416 4.340 -0.000 0.000 0.231 43 R C 2.095 178.439 176.300 0.073 0.000 1.119 43 R CA 1.600 57.729 56.100 0.048 0.000 0.970 43 R CB -1.327 29.013 30.300 0.067 0.000 0.864 43 R HN 0.785 nan 8.270 nan 0.000 0.440 44 F N 2.262 122.183 119.950 -0.048 0.000 2.113 44 F HA -0.115 4.411 4.527 -0.000 0.000 0.297 44 F C 2.226 177.982 175.800 -0.073 0.000 1.103 44 F CA 2.128 60.107 58.000 -0.036 0.000 1.248 44 F CB 0.110 39.100 39.000 -0.017 0.000 0.999 44 F HN 0.408 nan 8.300 nan 0.000 0.475 45 E N 0.007 120.220 120.200 0.022 0.000 2.204 45 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 45 E C 2.445 178.978 176.600 -0.112 0.000 0.989 45 E CA 1.062 57.419 56.400 -0.072 0.000 0.824 45 E CB -0.573 29.111 29.700 -0.026 0.000 0.756 45 E HN 0.622 nan 8.360 nan 0.000 0.477 46 S N 1.445 117.098 115.700 -0.078 0.000 2.371 46 S HA -0.138 4.331 4.470 -0.000 0.000 0.224 46 S C 2.189 176.728 174.600 -0.101 0.000 1.029 46 S CA 1.630 59.788 58.200 -0.070 0.000 0.978 46 S CB -0.614 62.563 63.200 -0.039 0.000 0.833 46 S HN 0.358 nan 8.310 nan 0.000 0.466 47 E N 0.876 120.995 120.200 -0.136 0.000 2.274 47 E HA 0.051 4.401 4.350 -0.000 0.000 0.194 47 E C 0.374 176.835 176.600 -0.233 0.000 0.996 47 E CA 0.850 57.155 56.400 -0.158 0.000 0.840 47 E CB -0.587 29.029 29.700 -0.140 0.000 0.772 47 E HN 0.828 nan 8.360 nan 0.000 0.491 48 N N 1.114 119.606 118.700 -0.348 0.000 2.746 48 N HA 0.266 5.005 4.740 -0.000 0.000 0.250 48 N C -3.015 172.358 175.510 -0.228 0.000 1.146 48 N CA -1.493 51.340 53.050 -0.362 0.000 0.828 48 N CB 2.292 40.358 38.487 -0.701 0.000 1.158 48 N HN 0.145 nan 8.380 nan 0.000 0.519 49 P HA 0.126 nan 4.420 nan 0.000 0.271 49 P C 0.817 178.086 177.300 -0.052 0.000 1.216 49 P CA 0.587 63.639 63.100 -0.079 0.000 0.776 49 P CB 1.016 32.682 31.700 -0.057 0.000 0.881 50 G N 1.375 110.158 108.800 -0.028 0.000 2.157 50 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.248 50 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.248 50 G C 0.174 175.083 174.900 0.015 0.000 0.979 50 G CA 0.331 45.431 45.100 -0.000 0.000 0.650 50 G HN 0.896 nan 8.290 nan 0.000 0.529 51 T N -1.157 113.398 114.554 0.003 0.000 2.895 51 T HA 0.775 5.125 4.350 -0.000 0.000 0.283 51 T C -0.136 174.586 174.700 0.037 0.000 1.014 51 T CA -0.866 61.268 62.100 0.056 0.000 1.037 51 T CB 2.666 71.604 68.868 0.117 0.000 1.006 51 T HN 0.492 nan 8.240 nan 0.000 0.468 52 I N 1.828 122.407 120.570 0.016 0.000 2.410 52 I HA 0.525 4.695 4.170 -0.000 0.000 0.286 52 I C 0.189 176.251 176.117 -0.091 0.000 1.009 52 I CA -1.170 60.078 61.300 -0.085 0.000 1.111 52 I CB 1.636 39.481 38.000 -0.259 0.000 1.262 52 I HN 0.930 nan 8.210 nan 0.000 0.443 53 A N 7.984 130.706 122.820 -0.162 0.000 2.309 53 A HA 0.666 4.986 4.320 -0.000 0.000 0.290 53 A C -0.398 177.076 177.584 -0.182 0.000 1.206 53 A CA -0.331 51.479 52.037 -0.377 0.000 0.850 53 A CB 0.249 18.681 19.000 -0.947 0.000 1.118 53 A HN 0.692 nan 8.150 nan 0.000 0.523 54 L N 2.351 123.591 121.223 0.027 0.000 2.334 54 L HA 0.419 4.759 4.340 -0.000 0.000 0.277 54 L C 1.462 178.436 176.870 0.173 0.000 1.075 54 L CA -0.360 54.548 54.840 0.114 0.000 0.804 54 L CB 1.599 43.754 42.059 0.159 0.000 1.174 54 L HN 0.843 nan 8.230 nan 0.000 0.438 55 A N 1.669 124.566 122.820 0.128 0.000 1.984 55 A HA -0.022 4.297 4.320 -0.000 0.000 0.214 55 A C 0.944 178.608 177.584 0.134 0.000 1.173 55 A CA 0.190 52.301 52.037 0.125 0.000 0.673 55 A CB -0.169 18.883 19.000 0.087 0.000 0.830 55 A HN 0.750 nan 8.150 nan 0.000 0.453 56 E N 0.248 120.531 120.200 0.139 0.000 2.534 56 E HA -0.035 4.314 4.350 -0.000 0.000 0.264 56 E C 0.593 177.319 176.600 0.209 0.000 0.981 56 E CA 0.643 57.128 56.400 0.142 0.000 0.948 56 E CB 0.336 30.108 29.700 0.121 0.000 0.934 56 E HN 0.381 nan 8.360 nan 0.000 0.459 57 Q N 2.094 121.999 119.800 0.175 0.000 2.211 57 Q HA 0.107 4.447 4.340 -0.000 0.000 0.242 57 Q C -0.469 175.647 176.000 0.194 0.000 0.825 57 Q CA 0.045 55.995 55.803 0.245 0.000 0.951 57 Q CB 0.548 29.392 28.738 0.176 0.000 1.130 57 Q HN 0.310 nan 8.270 nan 0.000 0.496 58 K N 1.865 122.305 120.400 0.068 0.000 2.276 58 K HA 0.213 4.533 4.320 -0.000 0.000 0.283 58 K C -1.836 174.622 176.600 -0.236 0.000 1.044 58 K CA -2.141 54.120 56.287 -0.044 0.000 0.944 58 K CB 0.737 33.217 32.500 -0.034 0.000 1.012 58 K HN -0.202 nan 8.250 nan 0.000 0.472 59 P HA -0.188 nan 4.420 nan 0.000 0.215 59 P C 0.322 177.370 177.300 -0.420 0.000 1.157 59 P CA 1.441 63.998 63.100 -0.905 0.000 0.874 59 P CB 0.301 31.279 31.700 -1.203 0.000 0.790 60 E N -1.119 118.925 120.200 -0.261 0.000 2.478 60 E HA -0.047 4.303 4.350 -0.000 0.000 0.198 60 E C 1.991 178.530 176.600 -0.100 0.000 1.046 60 E CA 1.112 57.424 56.400 -0.146 0.000 0.870 60 E CB -1.117 28.527 29.700 -0.093 0.000 0.818 60 E HN 0.234 nan 8.360 nan 0.000 0.527 61 R N 0.712 121.152 120.500 -0.099 0.000 2.365 61 R HA 0.349 4.689 4.340 -0.000 0.000 0.223 61 R C 1.831 178.114 176.300 -0.027 0.000 0.899 61 R CA 0.231 56.304 56.100 -0.045 0.000 1.059 61 R CB -1.031 29.257 30.300 -0.020 0.000 1.086 61 R HN 0.187 nan 8.270 nan 0.000 0.522 62 L N 0.264 121.451 121.223 -0.059 0.000 2.127 62 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 62 L C 2.252 179.125 176.870 0.005 0.000 1.089 62 L CA 1.305 56.132 54.840 -0.022 0.000 0.757 62 L CB -0.537 41.474 42.059 -0.079 0.000 0.899 62 L HN 0.198 nan 8.230 nan 0.000 0.434 63 V N -0.337 119.569 119.914 -0.014 0.000 2.307 63 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 63 V C 2.086 178.196 176.094 0.025 0.000 1.045 63 V CA 1.808 64.112 62.300 0.006 0.000 1.024 63 V CB -0.420 31.398 31.823 -0.008 0.000 0.651 63 V HN 0.418 nan 8.190 nan 0.000 0.449 64 D N 0.375 120.785 120.400 0.017 0.000 2.178 64 D HA -0.091 4.549 4.640 -0.000 0.000 0.202 64 D C 2.193 178.521 176.300 0.046 0.000 0.974 64 D CA 1.487 55.502 54.000 0.025 0.000 0.841 64 D CB -0.173 40.634 40.800 0.013 0.000 0.953 64 D HN 0.441 nan 8.370 nan 0.000 0.478 65 A N 0.440 123.296 122.820 0.061 0.000 1.902 65 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 65 A C 2.362 180.055 177.584 0.182 0.000 1.181 65 A CA 1.826 53.925 52.037 0.104 0.000 0.623 65 A CB -0.780 18.284 19.000 0.107 0.000 0.818 65 A HN 0.180 nan 8.150 nan 0.000 0.443 66 T N 0.166 114.808 114.554 0.147 0.000 2.867 66 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 66 T C 1.507 176.331 174.700 0.207 0.000 1.057 66 T CA 1.206 63.410 62.100 0.175 0.000 1.136 66 T CB -0.246 68.675 68.868 0.090 0.000 0.874 66 T HN 0.199 nan 8.240 nan 0.000 0.466 67 L N 1.408 122.703 121.223 0.121 0.000 2.456 67 L HA 0.045 4.385 4.340 -0.000 0.000 0.224 67 L C 2.305 179.207 176.870 0.052 0.000 1.148 67 L CA 1.198 56.086 54.840 0.079 0.000 0.825 67 L CB -0.750 41.336 42.059 0.044 0.000 0.937 67 L HN 0.145 nan 8.230 nan 0.000 0.450 68 Q N -1.207 118.616 119.800 0.039 0.000 2.436 68 Q HA -0.082 4.258 4.340 -0.000 0.000 0.209 68 Q C 1.176 177.013 176.000 -0.272 0.000 0.965 68 Q CA 0.957 56.683 55.803 -0.128 0.000 0.910 68 Q CB -0.208 28.398 28.738 -0.219 0.000 0.980 68 Q HN 0.600 nan 8.270 nan 0.000 0.491 69 H N -1.710 117.373 119.070 0.021 0.000 2.755 69 H HA 0.502 5.058 4.556 -0.000 0.000 0.273 69 H C 0.536 175.876 175.328 0.020 0.000 1.055 69 H CA 0.444 56.504 56.048 0.021 0.000 1.191 69 H CB 1.087 30.866 29.762 0.028 0.000 1.536 69 H HN 0.151 nan 8.280 nan 0.000 0.529 70 G N -0.977 107.893 108.800 0.117 0.000 2.660 70 G HA2 0.432 4.392 3.960 -0.000 0.000 0.290 70 G HA3 0.432 4.392 3.960 -0.000 0.000 0.290 70 G C 0.090 175.019 174.900 0.048 0.000 1.432 70 G CA -0.074 45.072 45.100 0.076 0.000 0.807 70 G HN 0.097 nan 8.290 nan 0.000 0.485 71 E N -1.331 118.889 120.200 0.033 0.000 2.442 71 E HA 0.656 5.006 4.350 -0.000 0.000 0.195 71 E C 0.878 177.494 176.600 0.026 0.000 1.030 71 E CA 1.467 57.881 56.400 0.023 0.000 0.869 71 E CB 0.328 30.036 29.700 0.014 0.000 0.857 71 E HN 2.095 nan 8.360 nan 0.000 0.505 72 A N -0.880 121.960 122.820 0.035 0.000 2.597 72 A HA 0.662 4.982 4.320 -0.000 0.000 0.292 72 A C -1.463 176.150 177.584 0.048 0.000 1.057 72 A CA -0.634 51.425 52.037 0.036 0.000 0.674 72 A CB 0.802 19.818 19.000 0.027 0.000 1.278 72 A HN 0.282 nan 8.150 nan 0.000 0.416 73 I N 1.359 121.958 120.570 0.050 0.000 2.339 73 I HA 0.260 4.430 4.170 -0.000 0.000 0.290 73 I C 0.728 176.887 176.117 0.070 0.000 0.994 73 I CA -0.096 61.242 61.300 0.064 0.000 1.191 73 I CB 1.763 39.794 38.000 0.051 0.000 1.343 73 I HN 0.997 nan 8.210 nan 0.000 0.458 74 D N 3.543 124.006 120.400 0.106 0.000 2.183 74 D HA -0.007 4.633 4.640 -0.000 0.000 0.205 74 D C 0.089 176.467 176.300 0.130 0.000 0.962 74 D CA 1.025 55.099 54.000 0.124 0.000 0.849 74 D CB 0.587 41.490 40.800 0.172 0.000 0.978 74 D HN 0.480 nan 8.370 nan 0.000 0.488 75 T N 0.031 114.661 114.554 0.126 0.000 2.952 75 T HA 0.457 4.807 4.350 -0.000 0.000 0.305 75 T C -0.735 173.966 174.700 0.001 0.000 1.064 75 T CA -0.616 61.514 62.100 0.049 0.000 1.008 75 T CB 1.856 70.711 68.868 -0.022 0.000 1.078 75 T HN -0.037 nan 8.240 nan 0.000 0.459 76 I N 2.717 123.272 120.570 -0.026 0.000 2.389 76 I HA 0.434 4.604 4.170 -0.000 0.000 0.288 76 I C -0.548 175.503 176.117 -0.110 0.000 0.999 76 I CA -1.070 60.191 61.300 -0.066 0.000 1.129 76 I CB 1.849 39.793 38.000 -0.093 0.000 1.288 76 I HN 0.269 nan 8.210 nan 0.000 0.444 77 V N 4.991 124.847 119.914 -0.096 0.000 2.294 77 V HA 0.145 4.264 4.120 -0.000 0.000 0.272 77 V C 0.544 176.585 176.094 -0.090 0.000 1.027 77 V CA -0.299 61.942 62.300 -0.098 0.000 0.823 77 V CB 1.247 33.024 31.823 -0.076 0.000 1.030 77 V HN 0.780 nan 8.190 nan 0.000 0.457 78 S N 4.356 119.945 115.700 -0.186 0.000 2.955 78 S HA 0.147 4.617 4.470 -0.000 0.000 0.294 78 S C 0.664 175.315 174.600 0.086 0.000 1.198 78 S CA -0.560 57.571 58.200 -0.116 0.000 1.008 78 S CB -0.642 62.292 63.200 -0.444 0.000 1.279 78 S HN 0.776 nan 8.310 nan 0.000 0.508 79 N N 4.460 123.259 118.700 0.165 0.000 3.254 79 N HA 0.037 4.777 4.740 -0.000 0.000 0.308 79 N C -0.661 175.139 175.510 0.485 0.000 1.281 79 N CA -0.207 53.009 53.050 0.276 0.000 1.212 79 N CB -0.037 38.585 38.487 0.226 0.000 1.478 79 N HN 0.528 nan 8.380 nan 0.000 0.548 80 D N 1.294 121.965 120.400 0.452 0.000 2.345 80 D HA 0.091 4.731 4.640 -0.000 0.000 0.247 80 D C -0.102 176.433 176.300 0.392 0.000 1.108 80 D CA 0.402 54.626 54.000 0.374 0.000 0.894 80 D CB 0.839 41.803 40.800 0.274 0.000 1.203 80 D HN 0.546 nan 8.370 nan 0.000 0.430 81 Y N -0.694 119.542 120.300 -0.106 0.000 2.670 81 Y HA 0.634 5.183 4.550 -0.000 0.000 0.334 81 Y C -1.983 173.803 175.900 -0.189 0.000 1.185 81 Y CA -1.376 56.639 58.100 -0.142 0.000 1.053 81 Y CB 1.130 39.426 38.460 -0.274 0.000 1.298 81 Y HN 0.235 nan 8.280 nan 0.000 0.459 82 I N 3.369 123.743 120.570 -0.327 0.000 2.569 82 I HA 0.600 4.770 4.170 -0.000 0.000 0.296 82 I C -2.663 173.223 176.117 -0.386 0.000 1.028 82 I CA -3.104 57.926 61.300 -0.449 0.000 1.082 82 I CB 2.305 40.230 38.000 -0.125 0.000 1.264 82 I HN 0.480 nan 8.210 nan 0.000 0.429 83 P HA 0.068 nan 4.420 nan 0.000 0.263 83 P C -0.929 176.319 177.300 -0.088 0.000 1.195 83 P CA -0.120 62.857 63.100 -0.205 0.000 0.762 83 P CB 0.303 31.878 31.700 -0.209 0.000 0.799 84 R N 6.497 126.969 120.500 -0.046 0.000 2.570 84 R HA 0.106 4.445 4.340 -0.000 0.000 0.277 84 R C -1.226 175.040 176.300 -0.057 0.000 1.039 84 R CA -0.656 55.423 56.100 -0.035 0.000 1.065 84 R CB -0.284 29.973 30.300 -0.071 0.000 0.964 84 R HN 0.377 nan 8.270 nan 0.000 0.428 85 P HA 0.102 nan 4.420 nan 0.000 0.254 85 P C 0.171 177.416 177.300 -0.091 0.000 1.620 85 P CA 0.093 63.148 63.100 -0.075 0.000 1.050 85 P CB 0.377 32.030 31.700 -0.078 0.000 1.539 86 M N 0.580 120.128 119.600 -0.088 0.000 2.358 86 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 86 M C 1.759 177.980 176.300 -0.131 0.000 1.064 86 M CA 1.289 56.535 55.300 -0.091 0.000 1.093 86 M CB -0.709 31.841 32.600 -0.084 0.000 1.401 86 M HN 0.089 nan 8.290 nan 0.000 0.440 87 N N 1.019 119.571 118.700 -0.247 0.000 2.289 87 N HA -0.186 4.554 4.740 -0.000 0.000 0.184 87 N C 1.207 176.530 175.510 -0.312 0.000 1.016 87 N CA 1.130 53.847 53.050 -0.554 0.000 0.872 87 N CB -0.510 37.315 38.487 -1.103 0.000 0.973 87 N HN 0.461 nan 8.380 nan 0.000 0.433 88 R N 0.211 120.604 120.500 -0.179 0.000 2.388 88 R HA 0.306 4.645 4.340 -0.000 0.000 0.247 88 R C 0.120 176.406 176.300 -0.022 0.000 0.931 88 R CA -0.316 55.746 56.100 -0.063 0.000 1.082 88 R CB 0.163 30.414 30.300 -0.082 0.000 1.135 88 R HN 0.217 nan 8.270 nan 0.000 0.525 89 L N 3.834 125.038 121.223 -0.033 0.000 2.499 89 L HA 0.062 4.402 4.340 -0.000 0.000 0.273 89 L C -1.734 175.143 176.870 0.012 0.000 1.195 89 L CA -1.177 53.656 54.840 -0.011 0.000 0.882 89 L CB 0.207 42.259 42.059 -0.012 0.000 1.133 89 L HN -0.124 nan 8.230 nan 0.000 0.483 90 P HA 0.095 nan 4.420 nan 0.000 0.282 90 P C 0.643 177.959 177.300 0.026 0.000 1.287 90 P CA -0.599 62.517 63.100 0.027 0.000 0.792 90 P CB 1.480 33.195 31.700 0.026 0.000 1.163 91 L N -0.861 120.379 121.223 0.028 0.000 2.049 91 L HA 0.024 4.364 4.340 -0.000 0.000 0.203 91 L C 1.367 178.252 176.870 0.025 0.000 1.074 91 L CA 1.202 56.060 54.840 0.030 0.000 0.749 91 L CB -0.263 41.813 42.059 0.029 0.000 0.907 91 L HN 0.471 nan 8.230 nan 0.000 0.439 92 E N -0.776 119.436 120.200 0.021 0.000 2.344 92 E HA 0.141 4.491 4.350 -0.000 0.000 0.270 92 E C 0.756 177.365 176.600 0.014 0.000 1.021 92 E CA 0.601 57.011 56.400 0.017 0.000 0.887 92 E CB 0.540 30.249 29.700 0.015 0.000 0.997 92 E HN 0.451 nan 8.360 nan 0.000 0.429 93 G N 3.355 112.162 108.800 0.013 0.000 2.184 93 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.264 93 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.264 93 G C 0.466 175.372 174.900 0.010 0.000 0.975 93 G CA 0.539 45.645 45.100 0.010 0.000 0.642 93 G HN 0.553 nan 8.290 nan 0.000 0.536 94 T N 1.933 116.495 114.554 0.014 0.000 2.884 94 T HA 0.514 4.864 4.350 -0.000 0.000 0.298 94 T C 0.989 175.699 174.700 0.017 0.000 0.998 94 T CA 0.456 62.565 62.100 0.015 0.000 1.124 94 T CB 1.232 70.111 68.868 0.019 0.000 0.931 94 T HN 1.099 nan 8.240 nan 0.000 0.531 95 S N 2.329 118.038 115.700 0.014 0.000 2.572 95 S HA 0.105 4.575 4.470 -0.000 0.000 0.279 95 S C 1.296 175.910 174.600 0.024 0.000 1.341 95 S CA -0.729 57.480 58.200 0.015 0.000 1.043 95 S CB 0.815 64.021 63.200 0.010 0.000 0.887 95 S HN 0.846 nan 8.310 nan 0.000 0.516 96 E N 2.059 122.272 120.200 0.022 0.000 2.085 96 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 96 E C 2.157 178.778 176.600 0.035 0.000 0.994 96 E CA 1.318 57.735 56.400 0.029 0.000 0.801 96 E CB -0.569 29.142 29.700 0.019 0.000 0.743 96 E HN 0.885 nan 8.360 nan 0.000 0.453 97 A N 1.338 124.173 122.820 0.025 0.000 1.883 97 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 97 A C 1.828 179.430 177.584 0.030 0.000 1.186 97 A CA 2.064 54.116 52.037 0.025 0.000 0.624 97 A CB -0.619 18.390 19.000 0.015 0.000 0.822 97 A HN 0.289 nan 8.150 nan 0.000 0.444 98 D N -0.053 120.361 120.400 0.024 0.000 2.117 98 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 98 D C 1.859 178.184 176.300 0.043 0.000 0.987 98 D CA 1.211 55.222 54.000 0.019 0.000 0.829 98 D CB -0.381 40.423 40.800 0.008 0.000 0.961 98 D HN 0.543 nan 8.370 nan 0.000 0.460 99 I N 0.350 120.962 120.570 0.070 0.000 2.163 99 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 99 I C 2.424 178.668 176.117 0.212 0.000 1.085 99 I CA 1.001 62.383 61.300 0.136 0.000 1.347 99 I CB -0.120 37.963 38.000 0.139 0.000 1.044 99 I HN -0.121 nan 8.210 nan 0.000 0.408 100 R N 0.578 121.165 120.500 0.145 0.000 2.091 100 R HA -0.226 4.114 4.340 -0.000 0.000 0.238 100 R C 2.291 178.680 176.300 0.148 0.000 1.136 100 R CA 1.490 57.680 56.100 0.149 0.000 0.959 100 R CB -0.515 29.832 30.300 0.078 0.000 0.856 100 R HN 0.423 nan 8.270 nan 0.000 0.437 101 Q N -0.555 119.294 119.800 0.082 0.000 2.170 101 Q HA -0.199 4.141 4.340 -0.000 0.000 0.203 101 Q C 1.845 177.852 176.000 0.012 0.000 0.976 101 Q CA 1.641 57.467 55.803 0.037 0.000 0.858 101 Q CB -0.029 28.706 28.738 -0.004 0.000 0.907 101 Q HN 0.205 nan 8.270 nan 0.000 0.433 102 M N -0.321 119.282 119.600 0.004 0.000 2.067 102 M HA -0.091 4.388 4.480 -0.000 0.000 0.260 102 M C 1.347 177.558 176.300 -0.149 0.000 1.069 102 M CA 1.707 56.949 55.300 -0.097 0.000 1.117 102 M CB -0.376 32.134 32.600 -0.151 0.000 1.334 102 M HN 0.282 nan 8.290 nan 0.000 0.407 103 F N -0.075 119.880 119.950 0.008 0.000 2.216 103 F HA -0.152 4.374 4.527 -0.000 0.000 0.300 103 F C 2.393 178.213 175.800 0.035 0.000 1.085 103 F CA 1.520 59.529 58.000 0.015 0.000 1.326 103 F CB -0.610 38.397 39.000 0.013 0.000 1.027 103 F HN 0.235 nan 8.300 nan 0.000 0.497 104 E N 0.587 120.902 120.200 0.191 0.000 2.031 104 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 104 E C 2.242 178.926 176.600 0.139 0.000 0.994 104 E CA 1.470 57.964 56.400 0.157 0.000 0.800 104 E CB -0.417 29.353 29.700 0.117 0.000 0.752 104 E HN 0.219 nan 8.360 nan 0.000 0.447 105 A N -0.031 122.807 122.820 0.029 0.000 1.898 105 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 105 A C 2.090 179.653 177.584 -0.035 0.000 1.181 105 A CA 1.316 53.307 52.037 -0.076 0.000 0.620 105 A CB -0.370 18.499 19.000 -0.219 0.000 0.819 105 A HN 0.319 nan 8.150 nan 0.000 0.442 106 L N -1.352 119.860 121.223 -0.018 0.000 2.616 106 L HA 0.155 4.495 4.340 -0.000 0.000 0.229 106 L C 1.548 178.452 176.870 0.057 0.000 1.110 106 L CA 0.641 55.475 54.840 -0.009 0.000 0.884 106 L CB 0.334 42.309 42.059 -0.140 0.000 1.115 106 L HN 0.332 nan 8.230 nan 0.000 0.481 107 S N -1.134 114.636 115.700 0.116 0.000 3.265 107 S HA 0.192 4.662 4.470 -0.000 0.000 0.259 107 S C 1.600 176.317 174.600 0.194 0.000 1.089 107 S CA -0.300 57.994 58.200 0.157 0.000 0.811 107 S CB 0.459 63.781 63.200 0.203 0.000 0.858 107 S HN -0.015 nan 8.310 nan 0.000 0.452 108 I N 2.097 122.793 120.570 0.210 0.000 2.233 108 I HA 0.005 4.175 4.170 -0.000 0.000 0.243 108 I C 2.070 178.314 176.117 0.211 0.000 1.093 108 I CA 1.308 62.716 61.300 0.181 0.000 1.380 108 I CB -1.251 36.844 38.000 0.159 0.000 1.067 108 I HN 0.227 nan 8.210 nan 0.000 0.413 109 F N 3.594 123.598 119.950 0.090 0.000 2.091 109 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 109 F C -0.449 175.410 175.800 0.100 0.000 1.103 109 F CA 1.906 59.953 58.000 0.078 0.000 1.228 109 F CB -1.673 37.380 39.000 0.089 0.000 0.984 109 F HN 0.062 nan 8.300 nan 0.000 0.477 110 P HA -0.120 nan 4.420 nan 0.000 0.223 110 P C 2.033 179.530 177.300 0.328 0.000 1.151 110 P CA 1.530 64.893 63.100 0.438 0.000 0.787 110 P CB -0.166 31.882 31.700 0.578 0.000 0.788 111 I N -0.620 120.078 120.570 0.213 0.000 2.353 111 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 111 I C 2.528 178.690 176.117 0.074 0.000 1.119 111 I CA 0.959 62.341 61.300 0.136 0.000 1.417 111 I CB -0.371 37.683 38.000 0.090 0.000 1.078 111 I HN -0.157 nan 8.210 nan 0.000 0.421 112 L N -0.081 121.154 121.223 0.020 0.000 2.093 112 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 112 L C 2.456 179.272 176.870 -0.090 0.000 1.085 112 L CA 0.993 55.801 54.840 -0.054 0.000 0.755 112 L CB -0.359 41.631 42.059 -0.115 0.000 0.904 112 L HN 0.319 nan 8.230 nan 0.000 0.435 113 L N -0.356 120.797 121.223 -0.116 0.000 1.988 113 L HA -0.243 4.097 4.340 -0.000 0.000 0.207 113 L C 2.579 179.437 176.870 -0.019 0.000 1.071 113 L CA 1.383 56.150 54.840 -0.122 0.000 0.744 113 L CB -0.230 41.766 42.059 -0.104 0.000 0.893 113 L HN 0.261 nan 8.230 nan 0.000 0.433 114 L N -0.115 121.153 121.223 0.076 0.000 1.978 114 L HA -0.366 3.973 4.340 -0.000 0.000 0.218 114 L C 2.627 179.539 176.870 0.069 0.000 1.075 114 L CA 2.168 57.086 54.840 0.130 0.000 0.767 114 L CB -0.585 41.644 42.059 0.283 0.000 0.890 114 L HN 0.541 nan 8.230 nan 0.000 0.434 115 Q N -0.371 119.460 119.800 0.053 0.000 2.096 115 Q HA -0.276 4.064 4.340 -0.000 0.000 0.208 115 Q C 2.163 178.168 176.000 0.009 0.000 0.993 115 Q CA 2.831 58.650 55.803 0.027 0.000 0.862 115 Q CB -0.101 28.646 28.738 0.015 0.000 0.915 115 Q HN 0.707 nan 8.270 nan 0.000 0.416 116 S N -0.893 114.802 115.700 -0.008 0.000 2.447 116 S HA -0.002 4.468 4.470 -0.000 0.000 0.233 116 S C 1.779 176.374 174.600 -0.008 0.000 1.006 116 S CA 0.767 58.956 58.200 -0.018 0.000 0.957 116 S CB -0.036 63.139 63.200 -0.043 0.000 0.773 116 S HN 0.470 nan 8.310 nan 0.000 0.507 117 A N 1.150 123.970 122.820 0.000 0.000 2.132 117 A HA 0.385 4.705 4.320 -0.000 0.000 0.213 117 A C 1.935 179.528 177.584 0.015 0.000 1.154 117 A CA 0.249 52.290 52.037 0.006 0.000 0.753 117 A CB -0.549 18.454 19.000 0.004 0.000 0.826 117 A HN 0.538 nan 8.150 nan 0.000 0.469 118 I N 0.228 120.810 120.570 0.020 0.000 2.069 118 I HA -0.355 3.815 4.170 -0.000 0.000 0.237 118 I C 3.020 179.145 176.117 0.014 0.000 1.053 118 I CA 1.418 62.730 61.300 0.020 0.000 1.311 118 I CB -0.497 37.516 38.000 0.021 0.000 1.030 118 I HN 0.342 nan 8.210 nan 0.000 0.398 119 A N 1.343 124.169 122.820 0.010 0.000 1.873 119 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 119 A C 0.202 177.792 177.584 0.009 0.000 1.193 119 A CA 2.387 54.429 52.037 0.008 0.000 0.629 119 A CB -2.207 16.796 19.000 0.005 0.000 0.826 119 A HN 0.352 nan 8.150 nan 0.000 0.447 120 P HA -0.072 nan 4.420 nan 0.000 0.219 120 P C 1.218 178.528 177.300 0.015 0.000 1.150 120 P CA 0.757 63.864 63.100 0.012 0.000 0.814 120 P CB -0.110 31.597 31.700 0.012 0.000 0.787 121 L N -0.332 120.902 121.223 0.017 0.000 2.217 121 L HA 0.044 4.384 4.340 -0.000 0.000 0.211 121 L C 2.916 179.797 176.870 0.018 0.000 1.107 121 L CA 1.389 56.241 54.840 0.020 0.000 0.783 121 L CB -1.310 40.763 42.059 0.023 0.000 0.919 121 L HN -0.117 nan 8.230 nan 0.000 0.442 122 R N -0.333 120.176 120.500 0.015 0.000 2.062 122 R HA -0.052 4.288 4.340 -0.000 0.000 0.226 122 R C 2.217 178.524 176.300 0.011 0.000 1.125 122 R CA 1.203 57.310 56.100 0.013 0.000 0.966 122 R CB -0.209 30.097 30.300 0.010 0.000 0.861 122 R HN 0.250 nan 8.270 nan 0.000 0.433 123 A N 0.522 123.349 122.820 0.010 0.000 2.019 123 A HA -0.042 4.277 4.320 -0.000 0.000 0.219 123 A C 2.197 179.787 177.584 0.010 0.000 1.164 123 A CA 1.516 53.559 52.037 0.009 0.000 0.644 123 A CB -0.570 18.434 19.000 0.008 0.000 0.805 123 A HN 0.534 nan 8.150 nan 0.000 0.449 124 A N -1.796 121.031 122.820 0.013 0.000 2.119 124 A HA 0.387 4.707 4.320 -0.000 0.000 0.216 124 A C 1.805 179.397 177.584 0.013 0.000 1.152 124 A CA 1.330 53.376 52.037 0.014 0.000 0.708 124 A CB -0.743 18.269 19.000 0.019 0.000 0.805 124 A HN 1.885 nan 8.150 nan 0.000 0.460 125 G N -2.569 106.239 108.800 0.013 0.000 2.140 125 G HA2 0.366 4.326 3.960 -0.000 0.000 0.211 125 G HA3 0.366 4.326 3.960 -0.000 0.000 0.211 125 G C 1.083 175.992 174.900 0.015 0.000 1.013 125 G CA 0.351 45.458 45.100 0.012 0.000 0.705 125 G HN 2.411 nan 8.290 nan 0.000 0.508 126 G N -1.811 107.000 108.800 0.018 0.000 2.479 126 G HA2 0.601 4.561 3.960 -0.000 0.000 0.686 126 G HA3 0.601 4.561 3.960 -0.000 0.000 0.686 126 G C -0.206 174.713 174.900 0.031 0.000 1.295 126 G CA 0.994 46.108 45.100 0.023 0.000 0.922 126 G HN 2.633 nan 8.290 nan 0.000 0.582 127 A N -1.416 121.427 122.820 0.039 0.000 2.343 127 A HA 0.899 5.219 4.320 -0.000 0.000 0.296 127 A C -0.351 177.272 177.584 0.066 0.000 1.020 127 A CA 0.622 52.691 52.037 0.054 0.000 0.579 127 A CB 0.256 19.285 19.000 0.049 0.000 1.441 127 A HN 2.199 nan 8.150 nan 0.000 0.552 128 S N -0.541 115.211 115.700 0.086 0.000 2.472 128 S HA 0.685 5.155 4.470 -0.000 0.000 0.303 128 S C -0.854 173.804 174.600 0.097 0.000 1.099 128 S CA -0.488 57.791 58.200 0.131 0.000 1.077 128 S CB 1.547 64.851 63.200 0.174 0.000 1.031 128 S HN 1.178 nan 8.310 nan 0.000 0.487 129 V N 4.137 124.124 119.914 0.121 0.000 2.483 129 V HA 0.512 4.632 4.120 -0.000 0.000 0.297 129 V C -0.758 175.437 176.094 0.168 0.000 1.027 129 V CA -0.511 61.821 62.300 0.053 0.000 0.855 129 V CB 1.161 33.010 31.823 0.044 0.000 0.995 129 V HN 0.793 nan 8.190 nan 0.000 0.424 130 I N 5.117 125.721 120.570 0.057 0.000 2.382 130 I HA 0.479 4.649 4.170 -0.000 0.000 0.286 130 I C -1.013 175.131 176.117 0.045 0.000 1.002 130 I CA -0.246 61.163 61.300 0.181 0.000 1.135 130 I CB 1.443 39.497 38.000 0.091 0.000 1.288 130 I HN 0.383 nan 8.210 nan 0.000 0.448 131 F N 6.549 126.585 119.950 0.144 0.000 2.410 131 F HA 0.447 4.974 4.527 -0.000 0.000 0.349 131 F C 0.210 176.079 175.800 0.115 0.000 1.117 131 F CA -0.644 57.437 58.000 0.135 0.000 1.104 131 F CB 0.960 40.047 39.000 0.146 0.000 1.122 131 F HN 0.220 nan 8.300 nan 0.000 0.483 132 I N 3.299 124.011 120.570 0.237 0.000 2.301 132 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 132 I C 0.855 177.177 176.117 0.340 0.000 1.046 132 I CA 0.185 61.567 61.300 0.137 0.000 1.282 132 I CB 0.765 38.709 38.000 -0.094 0.000 1.409 132 I HN 0.832 nan 8.210 nan 0.000 0.484 133 T N 1.038 115.782 114.554 0.317 0.000 2.435 133 T HA 0.591 4.941 4.350 -0.000 0.000 0.177 133 T C 0.363 175.299 174.700 0.393 0.000 0.716 133 T CA -0.161 62.142 62.100 0.338 0.000 1.523 133 T CB 0.884 69.910 68.868 0.264 0.000 2.878 133 T HN 0.481 nan 8.240 nan 0.000 0.405 134 S N -1.122 114.775 115.700 0.328 0.000 2.633 134 S HA 0.393 4.863 4.470 -0.000 0.000 0.271 134 S C 0.926 175.774 174.600 0.413 0.000 1.112 134 S CA 0.241 58.654 58.200 0.356 0.000 0.828 134 S CB 0.896 64.243 63.200 0.245 0.000 1.086 134 S HN 1.077 nan 8.310 nan 0.000 0.461 135 S N 1.344 117.287 115.700 0.405 0.000 2.383 135 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 135 S C 1.850 176.634 174.600 0.308 0.000 1.030 135 S CA 1.888 60.368 58.200 0.467 0.000 1.002 135 S CB -1.329 62.115 63.200 0.406 0.000 0.829 135 S HN 1.605 nan 8.310 nan 0.000 0.467 136 V N -0.365 119.662 119.914 0.189 0.000 3.444 136 V HA 0.370 4.490 4.120 -0.000 0.000 0.271 136 V C 2.043 178.126 176.094 -0.019 0.000 1.188 136 V CA 0.806 63.142 62.300 0.060 0.000 1.168 136 V CB -1.541 30.302 31.823 0.034 0.000 0.810 136 V HN 0.481 nan 8.190 nan 0.000 0.500 137 G N -0.282 108.541 108.800 0.038 0.000 2.534 137 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.217 137 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.217 137 G C 1.586 176.309 174.900 -0.296 0.000 1.128 137 G CA 0.393 45.465 45.100 -0.048 0.000 0.784 137 G HN 0.431 nan 8.290 nan 0.000 0.542 138 K N -0.662 119.518 120.400 -0.368 0.000 2.412 138 K HA 0.305 4.625 4.320 -0.000 0.000 0.201 138 K C 0.755 177.227 176.600 -0.213 0.000 1.275 138 K CA 0.872 56.866 56.287 -0.489 0.000 0.910 138 K CB 0.389 32.384 32.500 -0.840 0.000 1.346 138 K HN 0.248 nan 8.250 nan 0.000 0.490 139 K N 3.305 123.651 120.400 -0.091 0.000 2.345 139 K HA 0.460 4.780 4.320 -0.000 0.000 0.255 139 K C -2.780 173.809 176.600 -0.019 0.000 0.934 139 K CA -2.087 54.172 56.287 -0.047 0.000 0.801 139 K CB 0.934 33.418 32.500 -0.026 0.000 1.137 139 K HN -0.061 nan 8.250 nan 0.000 0.424 140 P HA 0.278 nan 4.420 nan 0.000 0.269 140 P C -0.802 176.467 177.300 -0.052 0.000 1.215 140 P CA -0.205 62.869 63.100 -0.043 0.000 0.780 140 P CB 0.691 32.366 31.700 -0.042 0.000 0.898 141 L N 1.513 122.658 121.223 -0.130 0.000 2.410 141 L HA 0.357 4.697 4.340 -0.000 0.000 0.270 141 L C 1.481 178.155 176.870 -0.326 0.000 0.983 141 L CA -0.884 53.771 54.840 -0.308 0.000 0.822 141 L CB 1.999 43.711 42.059 -0.578 0.000 1.285 141 L HN 0.342 nan 8.230 nan 0.000 0.409 142 A N 2.910 125.596 122.820 -0.223 0.000 1.940 142 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 142 A C 1.479 179.043 177.584 -0.033 0.000 1.176 142 A CA 1.834 53.830 52.037 -0.068 0.000 0.631 142 A CB -0.623 18.401 19.000 0.040 0.000 0.814 142 A HN 0.815 nan 8.150 nan 0.000 0.446 143 Y N -1.791 118.528 120.300 0.031 0.000 2.462 143 Y HA 0.391 4.941 4.550 -0.000 0.000 0.293 143 Y C 0.322 176.216 175.900 -0.009 0.000 1.195 143 Y CA -0.020 58.082 58.100 0.004 0.000 1.276 143 Y CB -1.159 37.296 38.460 -0.009 0.000 1.082 143 Y HN 0.297 nan 8.280 nan 0.000 0.514 144 N N 1.904 120.556 118.700 -0.081 0.000 2.644 144 N HA 0.169 4.909 4.740 -0.000 0.000 0.313 144 N C -2.283 173.233 175.510 0.010 0.000 1.863 144 N CA -1.197 51.857 53.050 0.007 0.000 0.918 144 N CB 0.679 39.180 38.487 0.022 0.000 1.320 144 N HN 0.120 nan 8.380 nan 0.000 0.490 145 P HA -0.037 nan 4.420 nan 0.000 0.237 145 P C 0.542 177.852 177.300 0.018 0.000 1.178 145 P CA 0.777 63.883 63.100 0.011 0.000 0.766 145 P CB 0.556 32.267 31.700 0.018 0.000 0.876 146 L N -3.011 118.224 121.223 0.020 0.000 2.624 146 L HA 0.163 4.502 4.340 -0.000 0.000 0.222 146 L C 2.546 179.368 176.870 -0.079 0.000 1.046 146 L CA 0.069 54.903 54.840 -0.011 0.000 0.872 146 L CB -0.620 41.445 42.059 0.009 0.000 1.190 146 L HN -0.197 nan 8.230 nan 0.000 0.487 147 Y N 1.176 121.381 120.300 -0.158 0.000 2.352 147 Y HA -0.082 4.468 4.550 0.000 0.000 0.292 147 Y C 2.102 177.903 175.900 -0.165 0.000 1.136 147 Y CA 1.469 59.458 58.100 -0.186 0.000 1.227 147 Y CB -0.041 38.321 38.460 -0.163 0.000 0.991 147 Y HN 0.071 nan 8.280 nan 0.000 0.545 148 G N 0.652 109.417 108.800 -0.057 0.000 2.464 148 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.214 148 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.214 148 G C -0.567 174.241 174.900 -0.154 0.000 1.218 148 G CA 0.932 45.965 45.100 -0.111 0.000 0.794 148 G HN 0.316 nan 8.290 nan 0.000 0.542 149 P HA -0.158 nan 4.420 nan 0.000 0.216 149 P C 2.168 179.380 177.300 -0.148 0.000 1.157 149 P CA 2.339 65.403 63.100 -0.060 0.000 0.880 149 P CB -0.158 31.569 31.700 0.045 0.000 0.791 150 A N -0.803 121.762 122.820 -0.425 0.000 1.969 150 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 150 A C 2.197 179.614 177.584 -0.278 0.000 1.169 150 A CA 1.353 53.065 52.037 -0.543 0.000 0.635 150 A CB -0.743 17.763 19.000 -0.822 0.000 0.810 150 A HN 0.006 nan 8.150 nan 0.000 0.445 151 R N -0.365 119.951 120.500 -0.306 0.000 2.093 151 R HA 0.069 4.409 4.340 -0.000 0.000 0.224 151 R C 2.413 178.648 176.300 -0.107 0.000 1.101 151 R CA 1.242 57.214 56.100 -0.213 0.000 0.979 151 R CB -1.276 28.844 30.300 -0.301 0.000 0.877 151 R HN 0.501 nan 8.270 nan 0.000 0.441 152 A N 1.617 124.368 122.820 -0.115 0.000 1.917 152 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 152 A C 2.415 179.966 177.584 -0.056 0.000 1.182 152 A CA 2.094 54.078 52.037 -0.088 0.000 0.633 152 A CB -0.695 18.259 19.000 -0.076 0.000 0.819 152 A HN 0.334 nan 8.150 nan 0.000 0.448 153 A N -0.976 121.833 122.820 -0.018 0.000 1.873 153 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 153 A C 2.328 179.894 177.584 -0.031 0.000 1.193 153 A CA 2.582 54.627 52.037 0.014 0.000 0.629 153 A CB -1.447 17.615 19.000 0.103 0.000 0.826 153 A HN 0.464 nan 8.150 nan 0.000 0.447 154 T N -0.590 113.940 114.554 -0.038 0.000 2.867 154 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 154 T C 1.828 176.443 174.700 -0.143 0.000 1.057 154 T CA 1.308 63.350 62.100 -0.096 0.000 1.136 154 T CB -0.337 68.520 68.868 -0.019 0.000 0.874 154 T HN 0.151 nan 8.240 nan 0.000 0.466 155 V N 1.719 121.600 119.914 -0.056 0.000 2.343 155 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 155 V C 2.854 178.897 176.094 -0.085 0.000 1.051 155 V CA 1.652 63.938 62.300 -0.024 0.000 1.036 155 V CB -1.062 30.758 31.823 -0.005 0.000 0.654 155 V HN 0.528 nan 8.190 nan 0.000 0.451 156 A N -0.405 122.360 122.820 -0.092 0.000 2.067 156 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 156 A C 2.108 179.632 177.584 -0.101 0.000 1.158 156 A CA 1.711 53.695 52.037 -0.088 0.000 0.661 156 A CB -0.424 18.536 19.000 -0.068 0.000 0.801 156 A HN 0.487 nan 8.150 nan 0.000 0.452 157 L N -0.360 120.779 121.223 -0.138 0.000 2.056 157 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 157 L C 2.300 179.045 176.870 -0.208 0.000 1.078 157 L CA 1.776 56.515 54.840 -0.168 0.000 0.749 157 L CB -0.494 41.427 42.059 -0.229 0.000 0.901 157 L HN 0.111 nan 8.230 nan 0.000 0.433 158 V N 0.166 119.913 119.914 -0.278 0.000 2.295 158 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 158 V C 2.527 178.553 176.094 -0.114 0.000 1.049 158 V CA 2.242 64.408 62.300 -0.222 0.000 1.024 158 V CB -0.679 31.040 31.823 -0.172 0.000 0.648 158 V HN 0.532 nan 8.190 nan 0.000 0.447 159 E N -0.361 119.784 120.200 -0.091 0.000 2.106 159 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 159 E C 2.374 178.937 176.600 -0.061 0.000 0.984 159 E CA 1.464 57.824 56.400 -0.067 0.000 0.806 159 E CB -0.200 29.462 29.700 -0.063 0.000 0.750 159 E HN 0.543 nan 8.360 nan 0.000 0.458 160 S N 0.415 116.076 115.700 -0.066 0.000 2.356 160 S HA -0.021 4.449 4.470 -0.000 0.000 0.219 160 S C 2.171 176.743 174.600 -0.046 0.000 1.036 160 S CA 0.864 59.034 58.200 -0.051 0.000 0.965 160 S CB -0.135 63.036 63.200 -0.048 0.000 0.864 160 S HN 0.281 nan 8.310 nan 0.000 0.471 161 A N 1.613 124.400 122.820 -0.054 0.000 1.940 161 A HA 0.095 4.415 4.320 -0.000 0.000 0.219 161 A C 2.416 179.980 177.584 -0.033 0.000 1.176 161 A CA 1.987 54.001 52.037 -0.038 0.000 0.631 161 A CB -1.376 17.603 19.000 -0.036 0.000 0.814 161 A HN 0.816 nan 8.150 nan 0.000 0.446 162 A N -0.232 122.559 122.820 -0.048 0.000 1.978 162 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 162 A C 1.942 179.502 177.584 -0.039 0.000 1.170 162 A CA 1.832 53.837 52.037 -0.053 0.000 0.636 162 A CB -0.341 18.613 19.000 -0.076 0.000 0.810 162 A HN 0.359 nan 8.150 nan 0.000 0.448 163 K N -0.103 120.278 120.400 -0.033 0.000 2.211 163 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 163 K C 1.900 178.489 176.600 -0.017 0.000 1.047 163 K CA 1.926 58.199 56.287 -0.023 0.000 0.935 163 K CB -0.874 31.613 32.500 -0.022 0.000 0.728 163 K HN 0.799 nan 8.250 nan 0.000 0.452 164 T N -2.703 111.841 114.554 -0.017 0.000 3.056 164 T HA 0.177 4.527 4.350 -0.000 0.000 0.243 164 T C 2.081 176.776 174.700 -0.009 0.000 0.995 164 T CA -0.258 61.835 62.100 -0.011 0.000 1.091 164 T CB -0.328 68.535 68.868 -0.008 0.000 0.990 164 T HN -0.010 nan 8.240 nan 0.000 0.464 165 L N 1.776 122.993 121.223 -0.010 0.000 2.131 165 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 165 L C 2.939 179.802 176.870 -0.011 0.000 1.092 165 L CA 1.111 55.948 54.840 -0.006 0.000 0.759 165 L CB -0.830 41.229 42.059 0.000 0.000 0.903 165 L HN 0.294 nan 8.230 nan 0.000 0.435 166 S N -0.433 115.254 115.700 -0.022 0.000 2.402 166 S HA -0.165 4.305 4.470 -0.000 0.000 0.233 166 S C 2.074 176.669 174.600 -0.008 0.000 1.030 166 S CA 0.991 59.178 58.200 -0.023 0.000 1.003 166 S CB -0.277 62.907 63.200 -0.027 0.000 0.813 166 S HN 0.326 nan 8.310 nan 0.000 0.477 167 R N 1.342 121.839 120.500 -0.005 0.000 2.159 167 R HA -0.041 4.299 4.340 -0.000 0.000 0.237 167 R C 0.773 177.074 176.300 0.002 0.000 1.131 167 R CA 1.053 57.153 56.100 -0.001 0.000 0.982 167 R CB -0.593 29.707 30.300 -0.001 0.000 0.868 167 R HN 0.416 nan 8.270 nan 0.000 0.453 168 D N -1.118 119.283 120.400 0.002 0.000 2.339 168 D HA 0.086 4.725 4.640 -0.000 0.000 0.217 168 D C 0.919 177.224 176.300 0.007 0.000 1.050 168 D CA 0.754 54.757 54.000 0.005 0.000 0.856 168 D CB 0.496 41.299 40.800 0.006 0.000 0.922 168 D HN 0.392 nan 8.370 nan 0.000 0.518 169 G N 1.335 110.138 108.800 0.006 0.000 2.143 169 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.249 169 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.249 169 G C 0.302 175.208 174.900 0.011 0.000 0.981 169 G CA -0.237 44.869 45.100 0.010 0.000 0.665 169 G HN 0.360 nan 8.290 nan 0.000 0.528 170 I N 1.688 122.260 120.570 0.005 0.000 2.287 170 I HA 0.374 4.544 4.170 -0.000 0.000 0.290 170 I C 0.552 176.655 176.117 -0.023 0.000 1.069 170 I CA -0.563 60.741 61.300 0.007 0.000 1.237 170 I CB 0.838 38.848 38.000 0.016 0.000 1.418 170 I HN -0.021 nan 8.210 nan 0.000 0.481 171 L N 7.085 128.285 121.223 -0.038 0.000 2.255 171 L HA 0.402 4.742 4.340 -0.000 0.000 0.289 171 L C -0.510 176.177 176.870 -0.304 0.000 1.046 171 L CA -0.657 54.079 54.840 -0.174 0.000 0.816 171 L CB 0.516 42.524 42.059 -0.085 0.000 1.197 171 L HN 0.366 nan 8.230 nan 0.000 0.427 172 L N 4.384 125.389 121.223 -0.364 0.000 2.343 172 L HA 0.551 4.891 4.340 -0.000 0.000 0.275 172 L C -0.494 176.101 176.870 -0.458 0.000 1.056 172 L CA -0.127 54.597 54.840 -0.194 0.000 0.804 172 L CB 0.947 43.004 42.059 -0.003 0.000 1.203 172 L HN 0.263 nan 8.230 nan 0.000 0.440 173 Y N 0.326 120.798 120.300 0.287 0.000 2.625 173 Y HA 0.781 5.331 4.550 -0.000 0.000 0.338 173 Y C -0.258 175.836 175.900 0.323 0.000 1.123 173 Y CA -1.213 57.069 58.100 0.304 0.000 1.046 173 Y CB 1.923 40.618 38.460 0.391 0.000 1.299 173 Y HN 0.567 nan 8.280 nan 0.000 0.464 174 A N 1.932 125.010 122.820 0.430 0.000 2.393 174 A HA 0.867 5.187 4.320 -0.000 0.000 0.306 174 A C -1.467 176.231 177.584 0.189 0.000 1.050 174 A CA -0.605 51.622 52.037 0.316 0.000 0.724 174 A CB 0.744 19.922 19.000 0.296 0.000 1.248 174 A HN 0.663 nan 8.150 nan 0.000 0.424 175 I N 1.867 122.489 120.570 0.087 0.000 2.406 175 I HA 0.530 4.699 4.170 -0.000 0.000 0.290 175 I C 0.588 176.594 176.117 -0.186 0.000 0.999 175 I CA -0.551 60.697 61.300 -0.086 0.000 1.124 175 I CB 2.375 40.321 38.000 -0.089 0.000 1.289 175 I HN 0.747 nan 8.210 nan 0.000 0.441 176 G N 7.473 115.999 108.800 -0.456 0.000 2.955 176 G HA2 0.528 4.487 3.960 -0.000 0.000 0.336 176 G HA3 0.528 4.487 3.960 -0.000 0.000 0.336 176 G C -2.835 172.135 174.900 0.118 0.000 1.264 176 G CA -1.154 43.890 45.100 -0.093 0.000 1.096 176 G HN 0.262 nan 8.290 nan 0.000 0.486 177 P HA 0.340 nan 4.420 nan 0.000 0.278 177 P C -0.907 176.643 177.300 0.417 0.000 1.266 177 P CA -0.699 62.626 63.100 0.374 0.000 0.807 177 P CB 2.115 34.041 31.700 0.377 0.000 1.094 178 N N -0.307 118.617 118.700 0.375 0.000 2.504 178 N HA 0.249 4.988 4.740 -0.000 0.000 0.268 178 N C -0.777 174.717 175.510 -0.027 0.000 1.184 178 N CA -0.596 52.543 53.050 0.149 0.000 0.875 178 N CB 0.303 38.850 38.487 0.101 0.000 1.630 178 N HN 0.360 nan 8.380 nan 0.000 0.486 179 F N 0.064 119.665 119.950 -0.581 0.000 3.090 179 F HA -0.257 4.270 4.527 -0.000 0.000 0.282 179 F C -0.119 175.411 175.800 -0.450 0.000 0.923 179 F CA 0.443 57.740 58.000 -1.171 0.000 0.977 179 F CB -1.527 37.133 39.000 -0.568 0.000 0.954 179 F HN 0.379 nan 8.300 nan 0.000 0.695 180 F N 2.192 122.049 119.950 -0.155 0.000 2.385 180 F HA 0.316 4.843 4.527 0.000 0.000 0.360 180 F C 0.651 176.571 175.800 0.200 0.000 1.122 180 F CA -0.962 57.141 58.000 0.172 0.000 1.090 180 F CB 0.436 39.637 39.000 0.335 0.000 1.150 180 F HN 0.071 nan 8.300 nan 0.000 0.472 181 N N 5.505 124.165 118.700 -0.066 0.000 2.423 181 N HA -0.021 4.719 4.740 -0.000 0.000 0.275 181 N C -1.448 173.690 175.510 -0.620 0.000 1.283 181 N CA 0.117 53.051 53.050 -0.193 0.000 0.932 181 N CB -0.011 38.425 38.487 -0.085 0.000 1.185 181 N HN 0.870 nan 8.380 nan 0.000 0.483 182 N N 2.627 121.050 118.700 -0.461 0.000 2.405 182 N HA 0.342 5.082 4.740 -0.000 0.000 0.274 182 N C -2.712 172.690 175.510 -0.180 0.000 1.170 182 N CA -1.367 51.404 53.050 -0.465 0.000 0.848 182 N CB 1.773 39.853 38.487 -0.678 0.000 1.629 182 N HN 0.054 nan 8.380 nan 0.000 0.481 183 P HA -0.177 nan 4.420 nan 0.000 0.218 183 P C 0.497 177.702 177.300 -0.158 0.000 1.146 183 P CA 1.580 64.603 63.100 -0.129 0.000 0.820 183 P CB 0.187 31.797 31.700 -0.150 0.000 0.778 184 T N -2.394 112.017 114.554 -0.237 0.000 2.818 184 T HA -0.012 4.338 4.350 -0.000 0.000 0.246 184 T C 1.364 175.786 174.700 -0.463 0.000 1.036 184 T CA 1.181 63.010 62.100 -0.452 0.000 1.160 184 T CB -0.703 67.668 68.868 -0.829 0.000 0.869 184 T HN 0.024 nan 8.240 nan 0.000 0.419 185 Y N -0.644 119.577 120.300 -0.131 0.000 2.503 185 Y HA 0.429 4.979 4.550 -0.000 0.000 0.277 185 Y C 0.471 176.006 175.900 -0.608 0.000 1.102 185 Y CA -0.753 57.136 58.100 -0.351 0.000 1.261 185 Y CB 0.232 38.513 38.460 -0.299 0.000 1.096 185 Y HN 0.119 nan 8.280 nan 0.000 0.546 186 F N 1.754 121.761 119.950 0.094 0.000 2.646 186 F HA 0.385 4.912 4.527 0.000 0.000 0.336 186 F C -2.671 173.134 175.800 0.007 0.000 1.437 186 F CA -2.893 55.151 58.000 0.074 0.000 1.142 186 F CB 0.693 39.748 39.000 0.093 0.000 1.530 186 F HN -0.207 nan 8.300 nan 0.000 0.591 187 P HA 0.098 nan 4.420 nan 0.000 0.274 187 P C 0.819 178.189 177.300 0.118 0.000 1.231 187 P CA 0.004 63.136 63.100 0.054 0.000 0.790 187 P CB 1.524 33.225 31.700 0.003 0.000 0.951 188 T N 1.024 115.628 114.554 0.083 0.000 2.760 188 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 188 T C 1.876 176.668 174.700 0.153 0.000 1.047 188 T CA 2.461 64.637 62.100 0.128 0.000 1.139 188 T CB -0.763 68.148 68.868 0.072 0.000 0.855 188 T HN 0.644 nan 8.240 nan 0.000 0.471 189 S N 1.631 117.387 115.700 0.094 0.000 2.399 189 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 189 S C 1.558 176.210 174.600 0.086 0.000 1.022 189 S CA 1.178 59.421 58.200 0.072 0.000 0.983 189 S CB -0.318 62.902 63.200 0.032 0.000 0.803 189 S HN 0.385 nan 8.310 nan 0.000 0.480 190 D N -0.013 120.458 120.400 0.118 0.000 2.213 190 D HA 0.056 4.696 4.640 -0.000 0.000 0.205 190 D C 1.274 177.681 176.300 0.178 0.000 0.961 190 D CA 0.499 54.570 54.000 0.117 0.000 0.853 190 D CB -0.392 40.481 40.800 0.123 0.000 0.967 190 D HN 0.529 nan 8.370 nan 0.000 0.496 191 W N 1.916 123.260 121.300 0.074 0.000 2.388 191 W HA -0.087 4.573 4.660 -0.000 0.000 0.294 191 W C 2.578 179.124 176.519 0.045 0.000 1.212 191 W CA 2.386 59.778 57.345 0.077 0.000 1.271 191 W CB -0.207 29.302 29.460 0.081 0.000 1.126 191 W HN 0.037 nan 8.180 nan 0.000 0.535 192 E N -0.319 119.979 120.200 0.164 0.000 2.285 192 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 192 E C 1.215 177.795 176.600 -0.034 0.000 0.997 192 E CA 1.545 57.974 56.400 0.049 0.000 0.845 192 E CB -0.984 28.772 29.700 0.092 0.000 0.782 192 E HN 0.663 nan 8.360 nan 0.000 0.491 193 N N -1.035 117.650 118.700 -0.026 0.000 2.171 193 N HA 0.108 4.848 4.740 -0.000 0.000 0.212 193 N C 0.050 175.523 175.510 -0.061 0.000 1.184 193 N CA -0.083 52.943 53.050 -0.041 0.000 0.888 193 N CB 0.653 39.131 38.487 -0.015 0.000 1.038 193 N HN 0.280 nan 8.380 nan 0.000 0.517 194 N N 1.480 120.127 118.700 -0.089 0.000 2.851 194 N HA 0.185 4.925 4.740 -0.000 0.000 0.248 194 N C -2.019 173.402 175.510 -0.147 0.000 1.221 194 N CA -2.111 50.887 53.050 -0.086 0.000 0.847 194 N CB 1.108 39.572 38.487 -0.038 0.000 1.150 194 N HN -0.112 nan 8.380 nan 0.000 0.507 195 P HA -0.184 nan 4.420 nan 0.000 0.218 195 P C 1.165 178.387 177.300 -0.130 0.000 1.146 195 P CA 1.481 64.479 63.100 -0.170 0.000 0.813 195 P CB 0.271 31.899 31.700 -0.121 0.000 0.778 196 E N 0.430 120.582 120.200 -0.080 0.000 2.110 196 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 196 E C 1.986 178.577 176.600 -0.015 0.000 0.988 196 E CA 1.431 57.806 56.400 -0.042 0.000 0.804 196 E CB -1.479 28.206 29.700 -0.026 0.000 0.745 196 E HN 0.218 nan 8.360 nan 0.000 0.458 197 L N 0.623 121.842 121.223 -0.007 0.000 2.017 197 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 197 L C 2.437 179.340 176.870 0.055 0.000 1.073 197 L CA 2.294 57.195 54.840 0.102 0.000 0.745 197 L CB -0.527 41.639 42.059 0.178 0.000 0.894 197 L HN 0.255 nan 8.230 nan 0.000 0.432 198 R N -0.122 120.263 120.500 -0.191 0.000 2.091 198 R HA -0.177 4.163 4.340 -0.000 0.000 0.238 198 R C 2.326 178.584 176.300 -0.069 0.000 1.136 198 R CA 1.829 57.758 56.100 -0.285 0.000 0.959 198 R CB -0.773 29.154 30.300 -0.623 0.000 0.856 198 R HN 0.681 nan 8.270 nan 0.000 0.437 199 E N 0.958 121.117 120.200 -0.069 0.000 2.072 199 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 199 E C 2.245 178.840 176.600 -0.008 0.000 0.982 199 E CA 1.514 57.895 56.400 -0.033 0.000 0.803 199 E CB -0.855 28.824 29.700 -0.034 0.000 0.755 199 E HN 0.595 nan 8.360 nan 0.000 0.453 200 R N 0.339 120.846 120.500 0.012 0.000 2.096 200 R HA 0.082 4.422 4.340 -0.000 0.000 0.235 200 R C 2.731 178.974 176.300 -0.096 0.000 1.127 200 R CA 1.542 57.651 56.100 0.014 0.000 0.968 200 R CB -1.416 28.943 30.300 0.098 0.000 0.861 200 R HN 0.429 nan 8.270 nan 0.000 0.440 201 V N 1.303 121.168 119.914 -0.082 0.000 2.453 201 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 201 V C 2.242 178.267 176.094 -0.115 0.000 1.048 201 V CA 2.011 64.184 62.300 -0.211 0.000 1.049 201 V CB -0.224 31.612 31.823 0.022 0.000 0.672 201 V HN 0.651 nan 8.190 nan 0.000 0.457 202 D N 0.183 120.573 120.400 -0.018 0.000 2.092 202 D HA -0.228 4.412 4.640 -0.000 0.000 0.193 202 D C 2.389 178.675 176.300 -0.024 0.000 0.994 202 D CA 1.653 55.650 54.000 -0.004 0.000 0.828 202 D CB -0.168 40.638 40.800 0.010 0.000 0.963 202 D HN 0.217 nan 8.370 nan 0.000 0.450 203 R N -0.332 120.154 120.500 -0.024 0.000 2.075 203 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 203 R C 0.771 177.068 176.300 -0.005 0.000 1.126 203 R CA 1.725 57.821 56.100 -0.007 0.000 0.963 203 R CB 0.037 30.342 30.300 0.009 0.000 0.858 203 R HN 0.177 nan 8.270 nan 0.000 0.435 204 D N -0.747 119.624 120.400 -0.049 0.000 2.389 204 D HA 0.092 4.732 4.640 -0.000 0.000 0.206 204 D C -0.372 175.914 176.300 -0.023 0.000 1.055 204 D CA 0.256 54.253 54.000 -0.005 0.000 0.856 204 D CB 0.905 41.698 40.800 -0.013 0.000 0.957 204 D HN -0.050 nan 8.370 nan 0.000 0.509 205 V N 2.400 122.209 119.914 -0.175 0.000 2.328 205 V HA 0.163 4.283 4.120 -0.000 0.000 0.278 205 V C -1.511 174.543 176.094 -0.066 0.000 1.021 205 V CA -1.333 60.872 62.300 -0.159 0.000 0.838 205 V CB 2.158 33.762 31.823 -0.366 0.000 0.999 205 V HN -0.153 nan 8.190 nan 0.000 0.447 206 P HA -0.138 nan 4.420 nan 0.000 0.215 206 P C 1.857 179.136 177.300 -0.036 0.000 1.157 206 P CA 1.163 64.253 63.100 -0.017 0.000 0.874 206 P CB 0.284 31.983 31.700 -0.002 0.000 0.790 207 L N -2.026 119.165 121.223 -0.053 0.000 2.261 207 L HA -0.099 4.241 4.340 -0.000 0.000 0.216 207 L C 1.372 178.206 176.870 -0.061 0.000 1.114 207 L CA 1.469 56.269 54.840 -0.066 0.000 0.777 207 L CB -1.213 40.788 42.059 -0.096 0.000 0.910 207 L HN 0.238 nan 8.230 nan 0.000 0.440 208 G N 0.938 109.700 108.800 -0.063 0.000 2.160 208 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.251 208 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.251 208 G C 0.214 175.094 174.900 -0.032 0.000 1.008 208 G CA 0.678 45.754 45.100 -0.040 0.000 0.724 208 G HN 0.611 nan 8.290 nan 0.000 0.514 209 R N -2.680 117.765 120.500 -0.092 0.000 2.741 209 R HA 0.701 5.041 4.340 -0.000 0.000 0.276 209 R C -1.026 175.145 176.300 -0.214 0.000 1.028 209 R CA -1.350 54.655 56.100 -0.159 0.000 0.865 209 R CB 0.289 30.482 30.300 -0.178 0.000 1.268 209 R HN 0.133 nan 8.270 nan 0.000 0.475 210 L N 1.275 122.287 121.223 -0.351 0.000 2.439 210 L HA 0.412 4.752 4.340 -0.000 0.000 0.269 210 L C 0.977 177.785 176.870 -0.103 0.000 1.179 210 L CA 0.697 55.397 54.840 -0.234 0.000 0.828 210 L CB 0.945 42.800 42.059 -0.340 0.000 1.106 210 L HN 0.862 nan 8.230 nan 0.000 0.467 211 G N 3.005 111.838 108.800 0.056 0.000 2.442 211 G HA2 0.322 4.282 3.960 -0.000 0.000 0.249 211 G HA3 0.322 4.282 3.960 -0.000 0.000 0.249 211 G C 0.071 175.152 174.900 0.302 0.000 1.263 211 G CA -0.617 44.562 45.100 0.132 0.000 0.846 211 G HN 0.574 nan 8.290 nan 0.000 0.555 212 R N 2.839 123.468 120.500 0.215 0.000 2.560 212 R HA 0.201 4.541 4.340 -0.000 0.000 0.270 212 R C -1.477 175.018 176.300 0.324 0.000 1.074 212 R CA -1.605 54.613 56.100 0.197 0.000 1.140 212 R CB 1.125 31.473 30.300 0.079 0.000 1.073 212 R HN 0.330 nan 8.270 nan 0.000 0.527 213 P HA -0.205 nan 4.420 nan 0.000 0.218 213 P C 0.357 177.725 177.300 0.114 0.000 1.148 213 P CA 1.590 64.863 63.100 0.288 0.000 0.822 213 P CB 0.034 31.828 31.700 0.158 0.000 0.784 214 D N -0.244 120.203 120.400 0.078 0.000 2.224 214 D HA -0.155 4.485 4.640 -0.000 0.000 0.205 214 D C 1.736 178.049 176.300 0.022 0.000 0.965 214 D CA 0.779 54.796 54.000 0.028 0.000 0.852 214 D CB -0.667 40.144 40.800 0.019 0.000 0.947 214 D HN 0.192 nan 8.370 nan 0.000 0.494 215 E N -0.642 119.605 120.200 0.077 0.000 2.072 215 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 215 E C 1.856 178.503 176.600 0.079 0.000 0.982 215 E CA 0.858 57.332 56.400 0.124 0.000 0.803 215 E CB -0.137 29.696 29.700 0.223 0.000 0.755 215 E HN 0.264 nan 8.360 nan 0.000 0.453 216 M N 0.647 120.161 119.600 -0.143 0.000 2.067 216 M HA -0.060 4.419 4.480 -0.000 0.000 0.260 216 M C 2.115 178.209 176.300 -0.342 0.000 1.069 216 M CA 2.119 57.028 55.300 -0.652 0.000 1.117 216 M CB -0.787 31.215 32.600 -0.996 0.000 1.334 216 M HN 0.087 nan 8.290 nan 0.000 0.407 217 G N -0.699 107.987 108.800 -0.191 0.000 2.469 217 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 217 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 217 G C 1.553 176.390 174.900 -0.105 0.000 1.150 217 G CA 1.263 46.284 45.100 -0.132 0.000 0.763 217 G HN 0.716 nan 8.290 nan 0.000 0.561 218 A N 0.195 122.970 122.820 -0.075 0.000 1.969 218 A HA 0.136 4.456 4.320 -0.000 0.000 0.218 218 A C 2.328 179.880 177.584 -0.053 0.000 1.169 218 A CA 1.639 53.646 52.037 -0.050 0.000 0.635 218 A CB -0.332 18.641 19.000 -0.044 0.000 0.810 218 A HN 0.505 nan 8.150 nan 0.000 0.445 219 L N -0.007 121.158 121.223 -0.096 0.000 2.027 219 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 219 L C 2.149 178.947 176.870 -0.120 0.000 1.074 219 L CA 1.729 56.503 54.840 -0.111 0.000 0.745 219 L CB -0.492 41.477 42.059 -0.150 0.000 0.898 219 L HN 0.407 nan 8.230 nan 0.000 0.433 220 I N -0.781 119.683 120.570 -0.176 0.000 2.226 220 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 220 I C 2.212 178.244 176.117 -0.142 0.000 1.100 220 I CA 1.775 62.965 61.300 -0.183 0.000 1.374 220 I CB -0.602 37.277 38.000 -0.203 0.000 1.057 220 I HN 0.293 nan 8.210 nan 0.000 0.413 221 T N 0.629 115.128 114.554 -0.092 0.000 2.821 221 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 221 T C 1.608 176.320 174.700 0.019 0.000 1.046 221 T CA 1.142 63.214 62.100 -0.048 0.000 1.139 221 T CB -0.289 68.578 68.868 -0.003 0.000 0.871 221 T HN 0.260 nan 8.240 nan 0.000 0.454 222 F N 1.822 121.689 119.950 -0.138 0.000 2.075 222 F HA 0.010 4.537 4.527 -0.000 0.000 0.297 222 F C 1.870 177.562 175.800 -0.180 0.000 1.113 222 F CA 1.109 59.023 58.000 -0.143 0.000 1.218 222 F CB -0.615 38.276 39.000 -0.181 0.000 0.984 222 F HN 0.050 nan 8.300 nan 0.000 0.472 223 L N 0.024 121.064 121.223 -0.304 0.000 2.046 223 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 223 L C 2.799 179.484 176.870 -0.308 0.000 1.077 223 L CA 1.245 55.755 54.840 -0.550 0.000 0.747 223 L CB -1.289 40.380 42.059 -0.651 0.000 0.896 223 L HN 0.255 nan 8.230 nan 0.000 0.432 224 A N 0.125 122.844 122.820 -0.167 0.000 1.978 224 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 224 A C 2.502 180.086 177.584 0.000 0.000 1.170 224 A CA 1.978 53.987 52.037 -0.047 0.000 0.636 224 A CB -0.707 18.252 19.000 -0.069 0.000 0.810 224 A HN 0.544 nan 8.150 nan 0.000 0.448 225 S N -1.036 114.629 115.700 -0.059 0.000 2.474 225 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 225 S C 1.129 175.679 174.600 -0.083 0.000 0.997 225 S CA 0.981 59.158 58.200 -0.038 0.000 0.949 225 S CB -0.465 62.708 63.200 -0.046 0.000 0.766 225 S HN 0.610 nan 8.310 nan 0.000 0.517 226 R N -0.445 119.965 120.500 -0.150 0.000 4.000 226 R HA -0.197 4.143 4.340 -0.000 0.000 0.362 226 R C 1.052 177.277 176.300 -0.125 0.000 1.183 226 R CA 1.189 57.230 56.100 -0.099 0.000 1.011 226 R CB -1.841 28.454 30.300 -0.008 0.000 1.501 226 R HN 0.503 nan 8.270 nan 0.000 0.553 227 R N 0.454 120.833 120.500 -0.201 0.000 2.235 227 R HA 0.058 4.398 4.340 -0.000 0.000 0.213 227 R C 1.136 177.372 176.300 -0.107 0.000 1.059 227 R CA 1.326 57.355 56.100 -0.117 0.000 0.997 227 R CB 0.393 30.655 30.300 -0.063 0.000 0.884 227 R HN 0.285 nan 8.270 nan 0.000 0.462 228 A N -0.170 122.516 122.820 -0.224 0.000 3.105 228 A HA 0.527 4.847 4.320 -0.000 0.000 0.297 228 A C 1.056 178.636 177.584 -0.008 0.000 0.977 228 A CA -0.133 51.861 52.037 -0.073 0.000 1.020 228 A CB 0.336 19.344 19.000 0.012 0.000 1.098 228 A HN 0.206 nan 8.150 nan 0.000 0.497 229 A N 1.345 124.177 122.820 0.020 0.000 1.986 229 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 229 A C -0.159 177.500 177.584 0.126 0.000 1.171 229 A CA 2.100 54.193 52.037 0.092 0.000 0.640 229 A CB -1.236 17.799 19.000 0.057 0.000 0.811 229 A HN 0.473 nan 8.150 nan 0.000 0.451 230 P HA -0.111 nan 4.420 nan 0.000 0.226 230 P C 1.079 178.473 177.300 0.158 0.000 1.146 230 P CA 0.909 64.074 63.100 0.108 0.000 0.773 230 P CB -0.219 31.534 31.700 0.087 0.000 0.772 231 I N -4.701 116.013 120.570 0.240 0.000 3.806 231 I HA 0.130 4.300 4.170 -0.000 0.000 0.321 231 I C 0.593 176.998 176.117 0.480 0.000 1.315 231 I CA -0.381 61.131 61.300 0.353 0.000 1.148 231 I CB -0.448 37.825 38.000 0.457 0.000 1.028 231 I HN -0.291 nan 8.210 nan 0.000 0.415 232 V N 2.962 123.067 119.914 0.317 0.000 3.032 232 V HA 0.316 4.436 4.120 -0.000 0.000 0.307 232 V C 1.516 177.610 176.094 0.001 0.000 1.097 232 V CA 1.425 63.771 62.300 0.078 0.000 1.191 232 V CB 0.487 32.276 31.823 -0.056 0.000 0.964 232 V HN 0.854 nan 8.190 nan 0.000 0.494 233 G N 3.669 112.383 108.800 -0.143 0.000 2.148 233 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.254 233 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.254 233 G C 0.040 174.915 174.900 -0.042 0.000 0.981 233 G CA 0.735 45.788 45.100 -0.079 0.000 0.670 233 G HN 1.472 nan 8.290 nan 0.000 0.528 234 Q N -1.275 118.497 119.800 -0.046 0.000 2.572 234 Q HA 0.813 5.153 4.340 -0.000 0.000 0.284 234 Q C -0.627 175.206 176.000 -0.279 0.000 1.091 234 Q CA -1.399 54.300 55.803 -0.174 0.000 0.840 234 Q CB 1.557 30.132 28.738 -0.271 0.000 1.433 234 Q HN 0.557 nan 8.270 nan 0.000 0.471 235 F N 1.039 120.734 119.950 -0.426 0.000 2.420 235 F HA 0.566 5.093 4.527 -0.000 0.000 0.342 235 F C -1.619 173.906 175.800 -0.459 0.000 1.113 235 F CA -0.960 56.860 58.000 -0.299 0.000 1.059 235 F CB 0.875 39.805 39.000 -0.116 0.000 1.128 235 F HN 0.462 nan 8.300 nan 0.000 0.475 236 F N 5.305 125.110 119.950 -0.240 0.000 2.402 236 F HA 0.612 5.139 4.527 -0.000 0.000 0.355 236 F C 0.404 175.946 175.800 -0.430 0.000 1.123 236 F CA -0.945 56.950 58.000 -0.175 0.000 1.021 236 F CB 1.175 40.136 39.000 -0.065 0.000 1.160 236 F HN 0.662 nan 8.300 nan 0.000 0.451 237 A N 3.386 126.187 122.820 -0.032 0.000 2.425 237 A HA 0.392 4.712 4.320 -0.000 0.000 0.249 237 A C -0.960 176.690 177.584 0.110 0.000 1.084 237 A CA 0.039 52.093 52.037 0.028 0.000 0.781 237 A CB -0.010 19.116 19.000 0.210 0.000 1.019 237 A HN 0.756 nan 8.150 nan 0.000 0.490 238 F N 2.968 122.908 119.950 -0.018 0.000 2.584 238 F HA 0.346 4.873 4.527 -0.000 0.000 0.328 238 F C 1.019 176.857 175.800 0.064 0.000 1.407 238 F CA 0.178 58.162 58.000 -0.028 0.000 1.145 238 F CB 1.094 40.009 39.000 -0.142 0.000 1.440 238 F HN 0.541 nan 8.300 nan 0.000 0.580 239 T N -1.694 112.867 114.554 0.011 0.000 3.170 239 T HA 0.321 4.670 4.350 -0.000 0.000 0.288 239 T C 1.184 175.921 174.700 0.062 0.000 0.992 239 T CA 0.157 62.348 62.100 0.152 0.000 0.909 239 T CB 0.258 69.342 68.868 0.360 0.000 1.133 239 T HN 0.874 nan 8.240 nan 0.000 0.530 240 G N 0.934 109.658 108.800 -0.127 0.000 2.273 240 G HA2 0.162 4.122 3.960 -0.000 0.000 0.280 240 G HA3 0.162 4.122 3.960 -0.000 0.000 0.280 240 G C 1.176 176.064 174.900 -0.018 0.000 1.047 240 G CA 0.458 45.490 45.100 -0.112 0.000 0.869 240 G HN 1.873 nan 8.290 nan 0.000 0.502 241 G N -1.822 106.991 108.800 0.021 0.000 2.176 241 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.253 241 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.253 241 G C 0.928 175.898 174.900 0.117 0.000 0.979 241 G CA 1.366 46.496 45.100 0.049 0.000 0.641 241 G HN 1.630 nan 8.290 nan 0.000 0.530 242 Y N 0.558 120.894 120.300 0.060 0.000 2.224 242 Y HA 0.290 4.840 4.550 -0.000 0.000 0.289 242 Y C 1.405 177.377 175.900 0.120 0.000 1.146 242 Y CA 1.343 59.510 58.100 0.112 0.000 1.182 242 Y CB 0.079 38.687 38.460 0.246 0.000 0.983 242 Y HN 0.256 nan 8.280 nan 0.000 0.524 243 L N 1.976 123.237 121.223 0.063 0.000 2.334 243 L HA 0.354 4.693 4.340 -0.000 0.000 0.272 243 L C -1.846 175.044 176.870 0.033 0.000 1.020 243 L CA -2.222 52.614 54.840 -0.006 0.000 0.812 243 L CB 1.043 43.181 42.059 0.131 0.000 1.264 243 L HN 0.061 nan 8.230 nan 0.000 0.439 244 P HA 0.000 nan 4.420 nan 0.000 0.216 244 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 244 P CB 0.000 31.701 31.700 0.002 0.000 0.726