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 2g1h_1_A DATA FIRST_RESID 3 DATA SEQUENCE QFAFVFPGQG SQTVGMLADM AASYPIVEET FAEASAALGY DLWALTQQGP DATA SEQUENCE AEELNKTWQT QPALLTASVA LYRVWQQQGG KAPAMMAGHS LGEYSALVCA DATA SEQUENCE GVIDFADAVR LVEMRGKFMQ EAVPEGTGAM AAIIGLDDAS IAKACEEAAE DATA SEQUENCE GQVVSPVNFN SPGQVVIAGH KEAVERAGAA CKAAGAKRAL PLPVSVPSHC DATA SEQUENCE ALMKPAADKL AVELAKITFN APTVPVVNNV DVKCETNGDA IRDALVRQLY DATA SEQUENCE NPVQWTKSVE YMAAQGVEHL YEVGPGKVLT GLTKRIVDTL TASALNEPSA DATA SEQUENCE MAAALEL 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.075 176.000 0.125 0.000 1.003 3 Q CA 0.000 55.827 55.803 0.040 0.000 1.022 3 Q CB 0.000 28.698 28.738 -0.066 0.000 1.108 4 F N 0.174 120.172 119.950 0.082 0.000 2.579 4 F HA 1.051 5.578 4.527 -0.000 0.000 0.324 4 F C -0.466 175.367 175.800 0.057 0.000 1.058 4 F CA -1.094 56.970 58.000 0.108 0.000 0.944 4 F CB 1.455 40.618 39.000 0.272 0.000 1.245 4 F HN 0.499 nan 8.300 nan 0.000 0.477 5 A N 1.522 124.503 122.820 0.269 0.000 2.384 5 A HA 0.803 5.123 4.320 -0.000 0.000 0.312 5 A C -1.817 176.049 177.584 0.471 0.000 1.113 5 A CA -0.594 51.556 52.037 0.189 0.000 0.779 5 A CB 0.978 20.035 19.000 0.096 0.000 1.307 5 A HN 0.611 nan 8.150 nan 0.000 0.436 6 F N 1.192 121.230 119.950 0.148 0.000 2.420 6 F HA 0.510 5.037 4.527 -0.000 0.000 0.342 6 F C 0.447 176.177 175.800 -0.116 0.000 1.113 6 F CA -1.196 56.781 58.000 -0.039 0.000 1.059 6 F CB 1.646 40.591 39.000 -0.091 0.000 1.128 6 F HN 0.461 nan 8.300 nan 0.000 0.475 7 V N 1.372 121.250 119.914 -0.059 0.000 2.628 7 V HA 0.686 4.806 4.120 -0.000 0.000 0.306 7 V C -1.185 174.777 176.094 -0.220 0.000 1.045 7 V CA -0.978 61.365 62.300 0.072 0.000 0.905 7 V CB 1.879 33.916 31.823 0.357 0.000 0.997 7 V HN 0.436 nan 8.190 nan 0.000 0.436 8 F N 4.933 124.992 119.950 0.180 0.000 2.477 8 F HA 0.727 5.253 4.527 -0.000 0.000 0.335 8 F C -2.222 173.590 175.800 0.020 0.000 1.130 8 F CA -2.256 55.795 58.000 0.084 0.000 0.948 8 F CB 2.400 41.458 39.000 0.097 0.000 1.154 8 F HN 0.406 nan 8.300 nan 0.000 0.439 9 P HA 0.392 nan 4.420 nan 0.000 0.278 9 P C -0.240 177.082 177.300 0.036 0.000 1.266 9 P CA -0.154 62.938 63.100 -0.014 0.000 0.807 9 P CB 1.573 33.241 31.700 -0.054 0.000 1.094 10 G N -0.537 108.245 108.800 -0.030 0.000 3.217 10 G HA2 0.366 4.326 3.960 -0.000 0.000 0.213 10 G HA3 0.366 4.326 3.960 -0.000 0.000 0.213 10 G C -0.682 174.207 174.900 -0.019 0.000 1.294 10 G CA -0.552 44.565 45.100 0.029 0.000 0.987 10 G HN 0.504 nan 8.290 nan 0.000 0.584 11 Q N -0.690 119.113 119.800 0.005 0.000 2.310 11 Q HA 0.368 4.707 4.340 -0.000 0.000 0.315 11 Q C 1.240 177.207 176.000 -0.054 0.000 1.081 11 Q CA 2.358 58.150 55.803 -0.018 0.000 0.981 11 Q CB 0.370 29.107 28.738 -0.003 0.000 1.184 11 Q HN 1.694 nan 8.270 nan 0.000 0.389 12 G N 1.743 110.511 108.800 -0.053 0.000 2.259 12 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 12 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 12 G C 0.907 175.770 174.900 -0.062 0.000 1.001 12 G CA 0.290 45.352 45.100 -0.064 0.000 0.627 12 G HN 0.580 nan 8.290 nan 0.000 0.501 13 S N 1.436 117.102 115.700 -0.057 0.000 2.524 13 S HA 0.144 4.614 4.470 -0.000 0.000 0.216 13 S C 1.206 175.792 174.600 -0.022 0.000 0.987 13 S CA 0.785 58.958 58.200 -0.046 0.000 0.909 13 S CB 0.071 63.243 63.200 -0.048 0.000 0.781 13 S HN 0.869 nan 8.310 nan 0.000 0.521 14 Q N 2.375 122.163 119.800 -0.020 0.000 2.373 14 Q HA 0.265 4.605 4.340 -0.000 0.000 0.255 14 Q C -0.335 175.648 176.000 -0.029 0.000 0.980 14 Q CA 0.159 55.955 55.803 -0.012 0.000 0.882 14 Q CB 0.263 28.992 28.738 -0.015 0.000 1.249 14 Q HN 0.232 nan 8.270 nan 0.000 0.438 15 T N -2.391 112.144 114.554 -0.031 0.000 2.894 15 T HA 0.415 4.765 4.350 -0.000 0.000 0.309 15 T C -0.348 174.310 174.700 -0.070 0.000 1.208 15 T CA -0.887 61.184 62.100 -0.048 0.000 1.016 15 T CB 1.148 69.992 68.868 -0.040 0.000 1.192 15 T HN 0.389 nan 8.240 nan 0.000 0.491 16 V N 2.314 122.178 119.914 -0.084 0.000 2.540 16 V HA 0.439 4.559 4.120 -0.000 0.000 0.297 16 V C 1.792 177.810 176.094 -0.126 0.000 1.024 16 V CA 1.601 63.832 62.300 -0.116 0.000 1.105 16 V CB 0.041 31.801 31.823 -0.106 0.000 0.938 16 V HN 1.670 nan 8.190 nan 0.000 0.482 17 G N 3.879 112.566 108.800 -0.188 0.000 2.175 17 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 17 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 17 G C 0.179 174.992 174.900 -0.145 0.000 0.982 17 G CA 0.104 45.094 45.100 -0.184 0.000 0.641 17 G HN 0.916 nan 8.290 nan 0.000 0.527 18 M N -0.008 119.520 119.600 -0.121 0.000 2.249 18 M HA 0.603 5.083 4.480 -0.000 0.000 0.340 18 M C 1.475 177.784 176.300 0.015 0.000 1.166 18 M CA 0.511 55.792 55.300 -0.032 0.000 1.115 18 M CB 0.378 32.981 32.600 0.005 0.000 1.606 18 M HN 0.541 nan 8.290 nan 0.000 0.448 19 L N -0.269 121.016 121.223 0.103 0.000 4.884 19 L HA -0.324 4.016 4.340 -0.000 0.000 0.430 19 L C 1.762 178.800 176.870 0.280 0.000 1.087 19 L CA 0.706 55.674 54.840 0.212 0.000 1.033 19 L CB -2.478 39.787 42.059 0.343 0.000 2.030 19 L HN 1.103 nan 8.230 nan 0.000 0.762 20 A N 0.127 123.050 122.820 0.171 0.000 1.883 20 A HA -0.222 4.097 4.320 -0.000 0.000 0.217 20 A C 1.775 179.469 177.584 0.183 0.000 1.186 20 A CA 2.289 54.445 52.037 0.198 0.000 0.624 20 A CB -0.271 18.763 19.000 0.057 0.000 0.822 20 A HN 0.540 nan 8.150 nan 0.000 0.444 21 D N -1.139 119.334 120.400 0.123 0.000 2.117 21 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 21 D C 1.833 178.207 176.300 0.124 0.000 0.987 21 D CA 1.660 55.719 54.000 0.098 0.000 0.829 21 D CB -0.380 40.465 40.800 0.074 0.000 0.961 21 D HN 0.379 nan 8.370 nan 0.000 0.460 22 M N 0.947 120.646 119.600 0.165 0.000 2.117 22 M HA -0.075 4.405 4.480 -0.000 0.000 0.262 22 M C 1.893 178.322 176.300 0.216 0.000 1.065 22 M CA 1.288 56.723 55.300 0.225 0.000 1.114 22 M CB -0.355 32.364 32.600 0.200 0.000 1.361 22 M HN -0.006 nan 8.290 nan 0.000 0.408 23 A N -0.599 122.316 122.820 0.158 0.000 1.930 23 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 23 A C 2.291 179.885 177.584 0.017 0.000 1.175 23 A CA 1.736 53.791 52.037 0.030 0.000 0.627 23 A CB -1.270 17.673 19.000 -0.094 0.000 0.815 23 A HN 0.603 nan 8.150 nan 0.000 0.443 24 A N -1.150 121.701 122.820 0.052 0.000 2.067 24 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 24 A C 2.244 179.790 177.584 -0.063 0.000 1.158 24 A CA 1.811 53.852 52.037 0.007 0.000 0.661 24 A CB -0.393 18.624 19.000 0.027 0.000 0.801 24 A HN 0.404 nan 8.150 nan 0.000 0.452 25 S N -2.340 113.304 115.700 -0.094 0.000 2.503 25 S HA 0.249 4.719 4.470 -0.000 0.000 0.215 25 S C -0.661 173.545 174.600 -0.658 0.000 1.003 25 S CA 0.104 58.087 58.200 -0.361 0.000 0.910 25 S CB -0.006 62.964 63.200 -0.385 0.000 0.790 25 S HN 0.532 nan 8.310 nan 0.000 0.514 26 Y N 0.275 120.561 120.300 -0.022 0.000 2.344 26 Y HA 0.356 4.906 4.550 -0.000 0.000 0.328 26 Y C -2.443 173.423 175.900 -0.056 0.000 1.067 26 Y CA -2.168 55.913 58.100 -0.031 0.000 1.247 26 Y CB 1.212 39.662 38.460 -0.017 0.000 1.113 26 Y HN -0.029 nan 8.280 nan 0.000 0.465 27 P HA -0.200 nan 4.420 nan 0.000 0.220 27 P C 1.715 179.011 177.300 -0.008 0.000 1.144 27 P CA 1.364 64.457 63.100 -0.012 0.000 0.800 27 P CB 0.412 32.103 31.700 -0.015 0.000 0.772 28 I N -1.368 119.227 120.570 0.042 0.000 2.756 28 I HA -0.168 4.002 4.170 -0.000 0.000 0.262 28 I C 1.627 177.749 176.117 0.007 0.000 1.225 28 I CA 0.830 62.141 61.300 0.019 0.000 1.472 28 I CB 0.047 38.060 38.000 0.022 0.000 1.094 28 I HN -0.202 nan 8.210 nan 0.000 0.454 29 V N 0.847 120.765 119.914 0.006 0.000 2.244 29 V HA -0.271 3.849 4.120 -0.000 0.000 0.244 29 V C 2.242 178.320 176.094 -0.026 0.000 1.042 29 V CA 2.157 64.468 62.300 0.019 0.000 1.006 29 V CB -0.665 31.147 31.823 -0.018 0.000 0.641 29 V HN 0.434 nan 8.190 nan 0.000 0.446 30 E N -0.297 119.731 120.200 -0.287 0.000 2.204 30 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 30 E C 2.218 178.762 176.600 -0.094 0.000 0.989 30 E CA 1.020 57.178 56.400 -0.404 0.000 0.824 30 E CB -0.076 29.257 29.700 -0.611 0.000 0.756 30 E HN 0.680 nan 8.360 nan 0.000 0.477 31 E N 0.095 120.267 120.200 -0.048 0.000 2.110 31 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 31 E C 2.031 178.667 176.600 0.061 0.000 0.988 31 E CA 1.376 57.781 56.400 0.008 0.000 0.804 31 E CB -0.061 29.640 29.700 0.002 0.000 0.745 31 E HN 0.146 nan 8.360 nan 0.000 0.458 32 T N 0.693 115.283 114.554 0.062 0.000 2.746 32 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 32 T C 1.478 176.266 174.700 0.147 0.000 1.039 32 T CA 0.992 63.130 62.100 0.063 0.000 1.142 32 T CB -0.328 68.499 68.868 -0.069 0.000 0.866 32 T HN 0.091 nan 8.240 nan 0.000 0.444 33 F N 1.425 121.421 119.950 0.075 0.000 2.293 33 F HA 0.059 4.586 4.527 -0.000 0.000 0.300 33 F C 2.513 178.365 175.800 0.088 0.000 1.086 33 F CA 0.665 58.741 58.000 0.127 0.000 1.375 33 F CB -0.433 38.654 39.000 0.145 0.000 1.045 33 F HN 0.128 nan 8.300 nan 0.000 0.516 34 A N -0.345 122.599 122.820 0.205 0.000 1.930 34 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 34 A C 2.111 179.742 177.584 0.078 0.000 1.175 34 A CA 1.525 53.633 52.037 0.118 0.000 0.627 34 A CB -0.612 18.431 19.000 0.072 0.000 0.815 34 A HN 0.388 nan 8.150 nan 0.000 0.443 35 E N -0.220 120.041 120.200 0.101 0.000 2.051 35 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 35 E C 2.360 178.931 176.600 -0.048 0.000 0.991 35 E CA 1.040 57.483 56.400 0.071 0.000 0.799 35 E CB -0.275 29.551 29.700 0.209 0.000 0.748 35 E HN 0.613 nan 8.360 nan 0.000 0.449 36 A N 0.805 123.589 122.820 -0.061 0.000 1.877 36 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 36 A C 2.341 179.812 177.584 -0.188 0.000 1.186 36 A CA 1.807 53.701 52.037 -0.239 0.000 0.620 36 A CB -0.492 18.395 19.000 -0.188 0.000 0.822 36 A HN 0.139 nan 8.150 nan 0.000 0.443 37 S N -0.086 115.559 115.700 -0.092 0.000 2.402 37 S HA 0.004 4.474 4.470 -0.000 0.000 0.229 37 S C 2.240 176.765 174.600 -0.124 0.000 1.021 37 S CA 1.031 59.145 58.200 -0.143 0.000 0.974 37 S CB -0.422 62.770 63.200 -0.014 0.000 0.800 37 S HN 0.792 nan 8.310 nan 0.000 0.484 38 A N 1.552 124.331 122.820 -0.069 0.000 1.933 38 A HA 0.115 4.435 4.320 -0.000 0.000 0.218 38 A C 2.318 179.855 177.584 -0.079 0.000 1.175 38 A CA 1.617 53.623 52.037 -0.052 0.000 0.628 38 A CB -0.923 18.060 19.000 -0.027 0.000 0.814 38 A HN 0.518 nan 8.150 nan 0.000 0.444 39 A N -0.777 121.969 122.820 -0.124 0.000 1.968 39 A HA 0.138 4.457 4.320 -0.000 0.000 0.217 39 A C 2.062 179.569 177.584 -0.129 0.000 1.169 39 A CA 1.291 53.247 52.037 -0.135 0.000 0.638 39 A CB -0.370 18.509 19.000 -0.202 0.000 0.812 39 A HN 0.457 nan 8.150 nan 0.000 0.446 40 L N -1.973 119.138 121.223 -0.186 0.000 2.298 40 L HA 0.225 4.565 4.340 -0.000 0.000 0.209 40 L C 1.763 178.587 176.870 -0.076 0.000 1.084 40 L CA 0.724 55.442 54.840 -0.203 0.000 0.816 40 L CB -0.088 41.645 42.059 -0.543 0.000 0.967 40 L HN 0.541 nan 8.230 nan 0.000 0.460 41 G N -0.406 108.349 108.800 -0.074 0.000 2.132 41 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.234 41 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.234 41 G C -0.077 174.921 174.900 0.163 0.000 0.989 41 G CA 0.307 45.436 45.100 0.048 0.000 0.676 41 G HN 0.447 nan 8.290 nan 0.000 0.522 42 Y N -2.569 117.758 120.300 0.045 0.000 2.670 42 Y HA 0.725 5.274 4.550 -0.000 0.000 0.334 42 Y C -0.798 175.148 175.900 0.077 0.000 1.185 42 Y CA -1.703 56.430 58.100 0.054 0.000 1.053 42 Y CB 0.722 39.212 38.460 0.050 0.000 1.298 42 Y HN -0.011 nan 8.280 nan 0.000 0.459 43 D N 1.951 122.519 120.400 0.280 0.000 2.402 43 D HA 0.078 4.718 4.640 -0.000 0.000 0.235 43 D C 0.443 176.908 176.300 0.274 0.000 1.226 43 D CA 0.024 54.148 54.000 0.206 0.000 0.918 43 D CB 1.153 42.064 40.800 0.186 0.000 1.043 43 D HN 0.728 nan 8.370 nan 0.000 0.506 44 L N 5.949 127.289 121.223 0.194 0.000 2.093 44 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 44 L C 1.939 179.024 176.870 0.359 0.000 1.085 44 L CA 1.400 56.418 54.840 0.297 0.000 0.755 44 L CB -0.575 41.631 42.059 0.246 0.000 0.904 44 L HN 0.585 nan 8.230 nan 0.000 0.435 45 W N 0.302 121.684 121.300 0.137 0.000 2.335 45 W HA -0.303 4.357 4.660 -0.000 0.000 0.311 45 W C 2.165 178.619 176.519 -0.108 0.000 1.213 45 W CA 1.925 59.153 57.345 -0.195 0.000 1.274 45 W CB -0.174 29.159 29.460 -0.212 0.000 1.148 45 W HN 0.349 nan 8.180 nan 0.000 0.498 46 A N 0.839 123.657 122.820 -0.004 0.000 1.902 46 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 46 A C 1.918 179.419 177.584 -0.139 0.000 1.181 46 A CA 1.767 53.738 52.037 -0.110 0.000 0.623 46 A CB -1.250 17.769 19.000 0.033 0.000 0.818 46 A HN 0.379 nan 8.150 nan 0.000 0.443 47 L N 0.700 121.910 121.223 -0.021 0.000 2.013 47 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 47 L C 2.730 179.525 176.870 -0.125 0.000 1.073 47 L CA 3.219 58.044 54.840 -0.026 0.000 0.753 47 L CB -1.142 40.980 42.059 0.105 0.000 0.890 47 L HN 0.581 nan 8.230 nan 0.000 0.432 48 T N -4.248 110.191 114.554 -0.193 0.000 2.915 48 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 48 T C 1.771 176.220 174.700 -0.417 0.000 1.071 48 T CA 1.091 63.026 62.100 -0.276 0.000 1.132 48 T CB -0.298 68.385 68.868 -0.309 0.000 0.878 48 T HN 0.399 nan 8.240 nan 0.000 0.479 49 Q N 0.652 120.107 119.800 -0.575 0.000 2.339 49 Q HA 0.216 4.556 4.340 -0.000 0.000 0.205 49 Q C 2.147 177.967 176.000 -0.300 0.000 0.925 49 Q CA 1.007 56.479 55.803 -0.550 0.000 0.898 49 Q CB 0.087 28.365 28.738 -0.766 0.000 1.013 49 Q HN 0.712 nan 8.270 nan 0.000 0.504 50 Q N -0.999 118.661 119.800 -0.235 0.000 2.353 50 Q HA 0.275 4.615 4.340 -0.000 0.000 0.240 50 Q C 0.706 176.635 176.000 -0.118 0.000 0.868 50 Q CA 0.357 56.071 55.803 -0.148 0.000 0.944 50 Q CB 1.110 29.780 28.738 -0.114 0.000 1.104 50 Q HN 0.322 nan 8.270 nan 0.000 0.531 51 G N 2.188 110.912 108.800 -0.127 0.000 2.547 51 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.271 51 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.271 51 G C -2.295 172.552 174.900 -0.090 0.000 1.209 51 G CA -0.193 44.844 45.100 -0.105 0.000 0.959 51 G HN 0.214 nan 8.290 nan 0.000 0.563 52 P HA 0.493 nan 4.420 nan 0.000 0.274 52 P C 1.041 178.290 177.300 -0.086 0.000 1.256 52 P CA 0.775 63.829 63.100 -0.077 0.000 0.795 52 P CB 0.556 32.218 31.700 -0.064 0.000 1.038 53 A N 0.424 123.196 122.820 -0.078 0.000 1.948 53 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 53 A C 2.217 179.747 177.584 -0.092 0.000 1.177 53 A CA 2.043 54.031 52.037 -0.081 0.000 0.636 53 A CB -1.337 17.623 19.000 -0.067 0.000 0.815 53 A HN 0.731 nan 8.150 nan 0.000 0.449 54 E N -0.706 119.443 120.200 -0.086 0.000 2.150 54 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 54 E C 1.802 178.323 176.600 -0.132 0.000 0.985 54 E CA 0.985 57.331 56.400 -0.091 0.000 0.814 54 E CB -0.015 29.645 29.700 -0.067 0.000 0.752 54 E HN 0.564 nan 8.360 nan 0.000 0.466 55 E N 0.549 120.667 120.200 -0.137 0.000 2.046 55 E HA -0.160 4.189 4.350 -0.000 0.000 0.190 55 E C 2.110 178.572 176.600 -0.230 0.000 0.982 55 E CA 0.470 56.757 56.400 -0.189 0.000 0.800 55 E CB -0.289 29.318 29.700 -0.156 0.000 0.756 55 E HN 0.241 nan 8.360 nan 0.000 0.449 56 L N 1.754 122.877 121.223 -0.166 0.000 2.265 56 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 56 L C 1.183 177.954 176.870 -0.166 0.000 1.117 56 L CA 1.411 56.164 54.840 -0.145 0.000 0.782 56 L CB -0.291 41.707 42.059 -0.102 0.000 0.914 56 L HN -0.030 nan 8.230 nan 0.000 0.441 57 N N -0.547 118.047 118.700 -0.177 0.000 2.353 57 N HA 0.034 4.774 4.740 -0.000 0.000 0.185 57 N C -0.059 175.316 175.510 -0.225 0.000 1.098 57 N CA 0.239 53.194 53.050 -0.159 0.000 0.872 57 N CB 0.075 38.494 38.487 -0.113 0.000 0.970 57 N HN 0.359 nan 8.380 nan 0.000 0.467 58 K N 0.440 120.613 120.400 -0.379 0.000 2.383 58 K HA 0.040 4.359 4.320 -0.000 0.000 0.286 58 K C 1.208 177.396 176.600 -0.687 0.000 1.051 58 K CA 0.070 55.960 56.287 -0.661 0.000 0.974 58 K CB 1.141 32.940 32.500 -1.168 0.000 0.968 58 K HN -0.119 nan 8.250 nan 0.000 0.475 59 T N 2.483 116.829 114.554 -0.347 0.000 2.915 59 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 59 T C 1.310 175.985 174.700 -0.041 0.000 1.071 59 T CA 1.114 63.151 62.100 -0.105 0.000 1.132 59 T CB -0.056 68.836 68.868 0.041 0.000 0.878 59 T HN 0.772 nan 8.240 nan 0.000 0.479 60 W N 0.763 122.040 121.300 -0.039 0.000 2.699 60 W HA 0.193 4.853 4.660 -0.000 0.000 0.249 60 W C 1.687 178.203 176.519 -0.005 0.000 1.280 60 W CA 0.164 57.480 57.345 -0.048 0.000 1.345 60 W CB -0.200 29.220 29.460 -0.068 0.000 1.128 60 W HN 0.290 nan 8.180 nan 0.000 0.642 61 Q N 0.176 119.709 119.800 -0.446 0.000 2.442 61 Q HA -0.009 4.331 4.340 -0.000 0.000 0.228 61 Q C 2.060 177.995 176.000 -0.108 0.000 0.902 61 Q CA 1.340 57.012 55.803 -0.218 0.000 0.933 61 Q CB -0.235 28.280 28.738 -0.371 0.000 1.071 61 Q HN 0.174 nan 8.270 nan 0.000 0.562 62 T N 1.753 116.207 114.554 -0.168 0.000 2.699 62 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 62 T C 1.772 176.459 174.700 -0.023 0.000 1.036 62 T CA 1.489 63.539 62.100 -0.082 0.000 1.147 62 T CB -0.152 68.659 68.868 -0.094 0.000 0.862 62 T HN 0.268 nan 8.240 nan 0.000 0.446 63 Q N 0.185 119.969 119.800 -0.027 0.000 2.016 63 Q HA -0.047 4.292 4.340 -0.000 0.000 0.200 63 Q C -0.397 175.597 176.000 -0.009 0.000 0.978 63 Q CA 1.343 57.135 55.803 -0.019 0.000 0.833 63 Q CB -0.953 27.759 28.738 -0.045 0.000 0.895 63 Q HN 0.446 nan 8.270 nan 0.000 0.427 64 P HA -0.151 nan 4.420 nan 0.000 0.218 64 P C 0.825 178.143 177.300 0.029 0.000 1.149 64 P CA 1.786 64.880 63.100 -0.010 0.000 0.817 64 P CB -0.055 31.638 31.700 -0.011 0.000 0.785 65 A N 0.074 122.942 122.820 0.080 0.000 1.902 65 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 65 A C 2.419 180.097 177.584 0.156 0.000 1.181 65 A CA 1.400 53.538 52.037 0.168 0.000 0.623 65 A CB -1.564 17.528 19.000 0.154 0.000 0.818 65 A HN 0.123 nan 8.150 nan 0.000 0.443 66 L N -1.242 120.040 121.223 0.099 0.000 2.072 66 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 66 L C 2.589 179.520 176.870 0.101 0.000 1.079 66 L CA 1.173 56.074 54.840 0.103 0.000 0.752 66 L CB -0.473 41.629 42.059 0.072 0.000 0.906 66 L HN 0.500 nan 8.230 nan 0.000 0.436 67 L N -0.494 120.773 121.223 0.074 0.000 2.042 67 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 67 L C 2.436 179.358 176.870 0.085 0.000 1.076 67 L CA 2.002 56.890 54.840 0.081 0.000 0.749 67 L CB -0.501 41.600 42.059 0.070 0.000 0.893 67 L HN 0.146 nan 8.230 nan 0.000 0.432 68 T N -0.176 114.394 114.554 0.026 0.000 2.737 68 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 68 T C 1.937 176.479 174.700 -0.262 0.000 1.038 68 T CA 1.255 63.261 62.100 -0.157 0.000 1.144 68 T CB -0.567 67.976 68.868 -0.542 0.000 0.866 68 T HN 0.548 nan 8.240 nan 0.000 0.434 69 A N 1.428 124.237 122.820 -0.019 0.000 1.892 69 A HA -0.157 4.162 4.320 -0.000 0.000 0.218 69 A C 2.628 180.308 177.584 0.160 0.000 1.188 69 A CA 2.232 54.420 52.037 0.252 0.000 0.631 69 A CB -1.025 18.178 19.000 0.339 0.000 0.822 69 A HN 0.440 nan 8.150 nan 0.000 0.447 70 S N -0.795 114.992 115.700 0.144 0.000 2.368 70 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 70 S C 1.883 176.592 174.600 0.183 0.000 1.029 70 S CA 1.341 59.669 58.200 0.215 0.000 0.988 70 S CB -0.366 63.039 63.200 0.342 0.000 0.838 70 S HN 0.345 nan 8.310 nan 0.000 0.462 71 V N 1.919 121.851 119.914 0.030 0.000 2.427 71 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 71 V C 2.579 178.631 176.094 -0.070 0.000 1.051 71 V CA 1.542 63.784 62.300 -0.096 0.000 1.048 71 V CB -1.141 30.416 31.823 -0.443 0.000 0.666 71 V HN 0.518 nan 8.190 nan 0.000 0.456 72 A N -0.057 122.718 122.820 -0.076 0.000 1.902 72 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 72 A C 2.212 179.824 177.584 0.045 0.000 1.181 72 A CA 1.750 53.780 52.037 -0.011 0.000 0.623 72 A CB -0.506 18.555 19.000 0.101 0.000 0.818 72 A HN 0.499 nan 8.150 nan 0.000 0.443 73 L N -2.365 118.907 121.223 0.082 0.000 2.056 73 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 73 L C 2.590 179.504 176.870 0.073 0.000 1.078 73 L CA 1.691 56.558 54.840 0.045 0.000 0.749 73 L CB -0.650 41.422 42.059 0.022 0.000 0.901 73 L HN 0.560 nan 8.230 nan 0.000 0.433 74 Y N 1.011 121.338 120.300 0.044 0.000 2.181 74 Y HA -0.246 4.304 4.550 -0.000 0.000 0.288 74 Y C 2.769 178.762 175.900 0.155 0.000 1.146 74 Y CA 1.527 59.718 58.100 0.151 0.000 1.164 74 Y CB -0.129 38.462 38.460 0.219 0.000 0.982 74 Y HN -0.017 nan 8.280 nan 0.000 0.515 75 R N -0.980 119.595 120.500 0.124 0.000 2.092 75 R HA -0.131 4.209 4.340 -0.000 0.000 0.231 75 R C 2.183 178.446 176.300 -0.061 0.000 1.119 75 R CA 1.456 57.565 56.100 0.014 0.000 0.970 75 R CB -0.579 29.715 30.300 -0.010 0.000 0.864 75 R HN 0.246 nan 8.270 nan 0.000 0.440 76 V N 0.576 120.436 119.914 -0.089 0.000 2.261 76 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 76 V C 2.070 178.042 176.094 -0.203 0.000 1.047 76 V CA 1.746 63.904 62.300 -0.237 0.000 1.015 76 V CB -0.703 30.871 31.823 -0.416 0.000 0.642 76 V HN 0.564 nan 8.190 nan 0.000 0.446 77 W N 0.736 121.856 121.300 -0.301 0.000 2.302 77 W HA -0.285 4.375 4.660 -0.000 0.000 0.320 77 W C 2.406 178.789 176.519 -0.227 0.000 1.241 77 W CA 2.428 59.619 57.345 -0.257 0.000 1.264 77 W CB -0.286 29.046 29.460 -0.213 0.000 1.154 77 W HN 0.341 nan 8.180 nan 0.000 0.483 78 Q N -0.268 119.432 119.800 -0.166 0.000 2.079 78 Q HA -0.279 4.061 4.340 -0.000 0.000 0.200 78 Q C 2.315 178.198 176.000 -0.194 0.000 0.974 78 Q CA 1.725 57.400 55.803 -0.213 0.000 0.840 78 Q CB -0.690 27.946 28.738 -0.170 0.000 0.898 78 Q HN 0.503 nan 8.270 nan 0.000 0.430 79 Q N 0.338 120.049 119.800 -0.150 0.000 2.135 79 Q HA -0.186 4.153 4.340 -0.000 0.000 0.204 79 Q C 1.315 177.237 176.000 -0.131 0.000 0.981 79 Q CA 1.067 56.805 55.803 -0.108 0.000 0.856 79 Q CB 0.287 28.982 28.738 -0.071 0.000 0.902 79 Q HN 0.237 nan 8.270 nan 0.000 0.425 80 Q N -1.206 118.474 119.800 -0.201 0.000 2.365 80 Q HA 0.133 4.472 4.340 -0.000 0.000 0.203 80 Q C 0.704 176.532 176.000 -0.287 0.000 0.929 80 Q CA 0.795 56.477 55.803 -0.202 0.000 0.948 80 Q CB 1.047 29.657 28.738 -0.212 0.000 1.043 80 Q HN 0.591 nan 8.270 nan 0.000 0.505 81 G N -0.112 108.499 108.800 -0.315 0.000 2.144 81 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 81 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 81 G C 0.465 175.102 174.900 -0.440 0.000 0.988 81 G CA -0.248 44.677 45.100 -0.292 0.000 0.659 81 G HN 0.545 nan 8.290 nan 0.000 0.522 82 G N 0.157 108.465 108.800 -0.819 0.000 2.441 82 G HA2 0.472 4.432 3.960 -0.000 0.000 0.243 82 G HA3 0.472 4.432 3.960 -0.000 0.000 0.243 82 G C 0.292 174.971 174.900 -0.368 0.000 1.281 82 G CA 0.074 44.386 45.100 -1.314 0.000 0.854 82 G HN 0.500 nan 8.290 nan 0.000 0.560 83 K N 0.817 121.276 120.400 0.098 0.000 2.202 83 K HA 0.460 4.780 4.320 -0.000 0.000 0.264 83 K C 0.768 177.664 176.600 0.495 0.000 1.010 83 K CA -0.198 56.259 56.287 0.282 0.000 0.940 83 K CB 1.090 33.762 32.500 0.286 0.000 0.983 83 K HN 0.604 nan 8.250 nan 0.000 0.475 84 A N 3.739 126.697 122.820 0.230 0.000 2.498 84 A HA 0.184 4.503 4.320 -0.000 0.000 0.239 84 A C -1.967 175.544 177.584 -0.121 0.000 1.068 84 A CA -0.977 51.136 52.037 0.128 0.000 0.766 84 A CB -0.518 18.534 19.000 0.085 0.000 1.003 84 A HN 0.489 nan 8.150 nan 0.000 0.497 85 P HA 0.222 nan 4.420 nan 0.000 0.272 85 P C 0.621 177.647 177.300 -0.456 0.000 1.240 85 P CA 0.361 63.026 63.100 -0.724 0.000 0.791 85 P CB 0.994 32.249 31.700 -0.742 0.000 0.978 86 A N 1.971 124.502 122.820 -0.483 0.000 2.015 86 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 86 A C 1.179 178.680 177.584 -0.140 0.000 1.163 86 A CA 1.327 53.208 52.037 -0.260 0.000 0.646 86 A CB -0.561 18.297 19.000 -0.236 0.000 0.806 86 A HN 0.623 nan 8.150 nan 0.000 0.448 87 M N -2.146 117.388 119.600 -0.109 0.000 2.682 87 M HA 0.542 5.022 4.480 -0.000 0.000 0.272 87 M C -1.478 174.861 176.300 0.065 0.000 1.232 87 M CA -0.174 55.120 55.300 -0.011 0.000 0.849 87 M CB 1.927 34.527 32.600 -0.000 0.000 1.695 87 M HN 0.082 nan 8.290 nan 0.000 0.481 88 M N 1.029 120.709 119.600 0.132 0.000 2.572 88 M HA 0.951 5.431 4.480 -0.000 0.000 0.299 88 M C -1.128 175.325 176.300 0.254 0.000 1.205 88 M CA -0.817 54.645 55.300 0.270 0.000 0.876 88 M CB 2.618 35.422 32.600 0.341 0.000 1.728 88 M HN 0.839 nan 8.290 nan 0.000 0.458 89 A N 0.712 123.756 122.820 0.374 0.000 2.594 89 A HA 0.954 5.274 4.320 -0.000 0.000 0.295 89 A C -1.018 176.938 177.584 0.620 0.000 1.071 89 A CA -0.540 51.724 52.037 0.379 0.000 0.685 89 A CB 1.988 21.121 19.000 0.222 0.000 1.285 89 A HN 0.970 nan 8.150 nan 0.000 0.405 90 G N -0.031 109.095 108.800 0.542 0.000 2.612 90 G HA2 0.538 4.497 3.960 -0.000 0.000 0.298 90 G HA3 0.538 4.497 3.960 -0.000 0.000 0.298 90 G C -1.317 173.769 174.900 0.310 0.000 1.336 90 G CA -0.420 44.962 45.100 0.470 0.000 0.953 90 G HN 0.806 nan 8.290 nan 0.000 0.482 91 H N 1.765 120.797 119.070 -0.063 0.000 2.911 91 H HA 0.403 4.959 4.556 -0.000 0.000 0.273 91 H C 1.119 176.442 175.328 -0.007 0.000 1.157 91 H CA 1.118 57.034 56.048 -0.219 0.000 1.402 91 H CB 0.761 30.153 29.762 -0.616 0.000 1.463 91 H HN 0.756 nan 8.280 nan 0.000 0.475 92 S N 3.597 119.330 115.700 0.054 0.000 4.157 92 S HA -0.293 4.177 4.470 -0.000 0.000 0.552 92 S C 1.781 176.556 174.600 0.293 0.000 1.867 92 S CA 1.169 59.493 58.200 0.207 0.000 4.248 92 S CB -1.273 62.161 63.200 0.391 0.000 0.222 92 S HN 0.631 nan 8.310 nan 0.000 0.457 93 L N 2.580 123.963 121.223 0.265 0.000 2.081 93 L HA -0.037 4.302 4.340 -0.000 0.000 0.212 93 L C 2.463 179.492 176.870 0.265 0.000 1.080 93 L CA 3.174 58.152 54.840 0.230 0.000 0.754 93 L CB -2.042 40.083 42.059 0.111 0.000 0.893 93 L HN 0.834 nan 8.230 nan 0.000 0.433 94 G N -0.459 108.471 108.800 0.217 0.000 2.479 94 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 94 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 94 G C 1.439 176.439 174.900 0.166 0.000 1.115 94 G CA 0.831 46.061 45.100 0.216 0.000 0.757 94 G HN 0.632 nan 8.290 nan 0.000 0.560 95 E N -0.640 119.667 120.200 0.178 0.000 2.110 95 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 95 E C 1.980 178.544 176.600 -0.059 0.000 0.988 95 E CA 0.806 57.242 56.400 0.061 0.000 0.804 95 E CB -0.230 29.482 29.700 0.019 0.000 0.745 95 E HN 0.603 nan 8.360 nan 0.000 0.458 96 Y N 0.561 120.850 120.300 -0.019 0.000 2.181 96 Y HA -0.175 4.374 4.550 -0.000 0.000 0.288 96 Y C 2.744 178.551 175.900 -0.156 0.000 1.146 96 Y CA 1.441 59.511 58.100 -0.051 0.000 1.164 96 Y CB -0.407 38.051 38.460 -0.003 0.000 0.982 96 Y HN 0.040 nan 8.280 nan 0.000 0.515 97 S N 0.050 115.720 115.700 -0.051 0.000 2.359 97 S HA -0.297 4.173 4.470 -0.000 0.000 0.224 97 S C 2.364 176.500 174.600 -0.772 0.000 1.035 97 S CA 1.201 59.196 58.200 -0.342 0.000 1.018 97 S CB -0.860 62.154 63.200 -0.311 0.000 0.876 97 S HN 0.533 nan 8.310 nan 0.000 0.448 98 A N 1.465 123.767 122.820 -0.864 0.000 1.908 98 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 98 A C 2.149 179.500 177.584 -0.388 0.000 1.181 98 A CA 1.262 52.845 52.037 -0.757 0.000 0.627 98 A CB -0.771 18.097 19.000 -0.221 0.000 0.818 98 A HN 0.460 nan 8.150 nan 0.000 0.445 99 L N -0.609 120.451 121.223 -0.273 0.000 2.141 99 L HA -0.132 4.207 4.340 -0.000 0.000 0.209 99 L C 2.468 179.209 176.870 -0.214 0.000 1.094 99 L CA 0.770 55.486 54.840 -0.207 0.000 0.763 99 L CB -0.449 41.487 42.059 -0.206 0.000 0.908 99 L HN 0.253 nan 8.230 nan 0.000 0.437 100 V N -1.068 118.716 119.914 -0.217 0.000 2.307 100 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 100 V C 2.461 178.420 176.094 -0.226 0.000 1.045 100 V CA 1.721 63.922 62.300 -0.165 0.000 1.024 100 V CB -0.398 31.382 31.823 -0.072 0.000 0.651 100 V HN 0.548 nan 8.190 nan 0.000 0.449 101 C N 0.368 119.434 119.300 -0.389 0.000 2.448 101 C HA 0.104 4.564 4.460 -0.000 0.000 0.280 101 C C 2.714 177.487 174.990 -0.361 0.000 1.398 101 C CA 0.505 59.165 59.018 -0.596 0.000 1.774 101 C CB -1.290 25.795 27.740 -1.091 0.000 1.888 101 C HN 0.590 nan 8.230 nan 0.000 0.519 102 A N -0.443 122.241 122.820 -0.227 0.000 2.251 102 A HA 0.457 4.777 4.320 -0.000 0.000 0.209 102 A C 1.712 179.257 177.584 -0.065 0.000 1.187 102 A CA 1.062 53.040 52.037 -0.100 0.000 0.823 102 A CB -0.614 18.341 19.000 -0.075 0.000 0.846 102 A HN 1.134 nan 8.150 nan 0.000 0.486 103 G N -1.830 106.920 108.800 -0.084 0.000 2.132 103 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.234 103 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.234 103 G C 0.819 175.674 174.900 -0.076 0.000 0.989 103 G CA 0.448 45.517 45.100 -0.052 0.000 0.676 103 G HN 0.566 nan 8.290 nan 0.000 0.522 104 V N 0.034 119.873 119.914 -0.125 0.000 2.379 104 V HA 0.296 4.415 4.120 -0.000 0.000 0.243 104 V C 1.489 177.389 176.094 -0.322 0.000 1.035 104 V CA 1.739 63.935 62.300 -0.173 0.000 1.035 104 V CB -0.022 31.697 31.823 -0.174 0.000 0.673 104 V HN 0.461 nan 8.190 nan 0.000 0.457 105 I N 0.646 121.011 120.570 -0.342 0.000 2.433 105 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 105 I C -0.417 175.610 176.117 -0.149 0.000 1.001 105 I CA -0.679 60.399 61.300 -0.371 0.000 1.119 105 I CB 1.724 39.467 38.000 -0.429 0.000 1.289 105 I HN 0.108 nan 8.210 nan 0.000 0.438 106 D N 3.596 123.938 120.400 -0.097 0.000 2.488 106 D HA -0.126 4.513 4.640 -0.000 0.000 0.238 106 D C 0.900 177.226 176.300 0.043 0.000 1.138 106 D CA 0.201 54.196 54.000 -0.008 0.000 0.873 106 D CB 0.723 41.517 40.800 -0.010 0.000 1.183 106 D HN 0.401 nan 8.370 nan 0.000 0.458 107 F N 4.381 124.291 119.950 -0.066 0.000 2.065 107 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 107 F C 1.995 177.759 175.800 -0.060 0.000 1.112 107 F CA 1.991 59.951 58.000 -0.066 0.000 1.212 107 F CB -0.842 38.125 39.000 -0.055 0.000 0.975 107 F HN 0.488 nan 8.300 nan 0.000 0.476 108 A N -0.015 122.637 122.820 -0.280 0.000 1.898 108 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 108 A C 2.016 179.455 177.584 -0.242 0.000 1.181 108 A CA 1.779 53.580 52.037 -0.393 0.000 0.620 108 A CB -1.079 17.796 19.000 -0.208 0.000 0.819 108 A HN 0.448 nan 8.150 nan 0.000 0.442 109 D N 0.266 120.591 120.400 -0.124 0.000 2.116 109 D HA -0.139 4.500 4.640 -0.000 0.000 0.193 109 D C 2.185 178.446 176.300 -0.065 0.000 0.998 109 D CA 1.754 55.713 54.000 -0.067 0.000 0.836 109 D CB -0.413 40.368 40.800 -0.031 0.000 0.951 109 D HN 0.441 nan 8.370 nan 0.000 0.449 110 A N 0.340 123.116 122.820 -0.073 0.000 1.930 110 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 110 A C 2.534 180.063 177.584 -0.092 0.000 1.175 110 A CA 0.919 52.947 52.037 -0.016 0.000 0.627 110 A CB -0.586 18.444 19.000 0.049 0.000 0.815 110 A HN 0.142 nan 8.150 nan 0.000 0.443 111 V N 0.117 119.897 119.914 -0.223 0.000 2.295 111 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 111 V C 2.668 178.662 176.094 -0.167 0.000 1.049 111 V CA 2.321 64.470 62.300 -0.253 0.000 1.024 111 V CB -0.772 30.780 31.823 -0.452 0.000 0.648 111 V HN 0.534 nan 8.190 nan 0.000 0.447 112 R N -0.898 119.513 120.500 -0.149 0.000 2.075 112 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 112 R C 2.218 178.471 176.300 -0.078 0.000 1.126 112 R CA 1.086 57.128 56.100 -0.097 0.000 0.963 112 R CB -0.515 29.740 30.300 -0.075 0.000 0.858 112 R HN 0.288 nan 8.270 nan 0.000 0.435 113 L N 0.833 122.023 121.223 -0.054 0.000 2.012 113 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 113 L C 2.371 179.166 176.870 -0.126 0.000 1.073 113 L CA 1.707 56.533 54.840 -0.025 0.000 0.748 113 L CB -0.647 41.458 42.059 0.077 0.000 0.891 113 L HN 0.120 nan 8.230 nan 0.000 0.431 114 V N -3.679 116.118 119.914 -0.195 0.000 2.871 114 V HA -0.119 4.001 4.120 -0.000 0.000 0.256 114 V C 2.240 178.244 176.094 -0.149 0.000 1.082 114 V CA 1.347 63.477 62.300 -0.282 0.000 1.105 114 V CB -0.738 30.883 31.823 -0.336 0.000 0.713 114 V HN 0.573 nan 8.190 nan 0.000 0.473 115 E N 0.559 120.703 120.200 -0.093 0.000 2.038 115 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 115 E C 2.196 178.730 176.600 -0.110 0.000 1.000 115 E CA 2.207 58.596 56.400 -0.019 0.000 0.803 115 E CB -0.266 29.446 29.700 0.019 0.000 0.750 115 E HN 0.639 nan 8.360 nan 0.000 0.448 116 M N 0.055 119.516 119.600 -0.231 0.000 2.117 116 M HA -0.154 4.325 4.480 -0.000 0.000 0.262 116 M C 2.613 178.493 176.300 -0.701 0.000 1.065 116 M CA 1.458 56.429 55.300 -0.548 0.000 1.114 116 M CB -0.285 32.024 32.600 -0.486 0.000 1.361 116 M HN 0.082 nan 8.290 nan 0.000 0.408 117 R N 0.415 120.744 120.500 -0.286 0.000 2.113 117 R HA -0.179 4.161 4.340 -0.000 0.000 0.244 117 R C 2.180 178.455 176.300 -0.041 0.000 1.142 117 R CA 2.049 58.106 56.100 -0.072 0.000 0.953 117 R CB -0.695 29.543 30.300 -0.104 0.000 0.860 117 R HN 0.471 nan 8.270 nan 0.000 0.438 118 G N 0.479 109.255 108.800 -0.040 0.000 2.418 118 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.217 118 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.217 118 G C 1.217 176.178 174.900 0.102 0.000 1.158 118 G CA 0.847 45.999 45.100 0.087 0.000 0.771 118 G HN 0.336 nan 8.290 nan 0.000 0.545 119 K N -0.426 119.930 120.400 -0.074 0.000 2.026 119 K HA -0.013 4.306 4.320 -0.000 0.000 0.208 119 K C 2.239 178.794 176.600 -0.075 0.000 1.048 119 K CA 1.097 57.250 56.287 -0.224 0.000 0.929 119 K CB -0.317 31.934 32.500 -0.414 0.000 0.713 119 K HN 0.252 nan 8.250 nan 0.000 0.439 120 F N 1.212 121.146 119.950 -0.027 0.000 2.126 120 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 120 F C 2.302 178.096 175.800 -0.009 0.000 1.096 120 F CA 1.169 59.157 58.000 -0.019 0.000 1.255 120 F CB -0.798 38.203 39.000 0.001 0.000 0.997 120 F HN -0.001 nan 8.300 nan 0.000 0.479 121 M N -0.763 118.951 119.600 0.190 0.000 2.086 121 M HA -0.239 4.240 4.480 -0.000 0.000 0.261 121 M C 2.290 178.641 176.300 0.084 0.000 1.067 121 M CA 1.695 57.062 55.300 0.110 0.000 1.116 121 M CB -0.517 32.131 32.600 0.080 0.000 1.348 121 M HN 0.044 nan 8.290 nan 0.000 0.407 122 Q N 1.094 120.950 119.800 0.092 0.000 2.170 122 Q HA -0.207 4.133 4.340 -0.000 0.000 0.203 122 Q C 1.597 177.615 176.000 0.031 0.000 0.976 122 Q CA 1.845 57.698 55.803 0.084 0.000 0.858 122 Q CB -0.136 28.658 28.738 0.095 0.000 0.907 122 Q HN 0.674 nan 8.270 nan 0.000 0.433 123 E N -1.580 118.632 120.200 0.020 0.000 2.479 123 E HA 0.114 4.464 4.350 -0.000 0.000 0.193 123 E C 1.459 178.072 176.600 0.021 0.000 1.049 123 E CA 0.473 56.878 56.400 0.007 0.000 0.870 123 E CB 0.023 29.726 29.700 0.005 0.000 0.944 123 E HN 0.315 nan 8.360 nan 0.000 0.492 124 A N 1.706 124.545 122.820 0.031 0.000 1.883 124 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 124 A C 1.432 179.019 177.584 0.004 0.000 1.186 124 A CA 1.725 53.772 52.037 0.017 0.000 0.624 124 A CB -0.571 18.439 19.000 0.016 0.000 0.822 124 A HN 0.388 nan 8.150 nan 0.000 0.444 125 V N -5.275 114.643 119.914 0.007 0.000 3.040 125 V HA 0.655 4.775 4.120 -0.000 0.000 0.312 125 V C -3.232 172.871 176.094 0.016 0.000 1.115 125 V CA -2.908 59.398 62.300 0.011 0.000 0.998 125 V CB 1.215 33.040 31.823 0.004 0.000 1.042 125 V HN 0.099 nan 8.190 nan 0.000 0.433 126 P HA 0.126 nan 4.420 nan 0.000 0.264 126 P C -0.094 177.220 177.300 0.024 0.000 1.183 126 P CA 0.233 63.345 63.100 0.020 0.000 0.763 126 P CB 0.199 31.912 31.700 0.022 0.000 0.807 127 E N 1.800 122.014 120.200 0.023 0.000 2.708 127 E HA 0.019 4.368 4.350 -0.000 0.000 0.260 127 E C 1.367 177.982 176.600 0.025 0.000 0.937 127 E CA 1.713 58.128 56.400 0.026 0.000 0.953 127 E CB -0.120 29.596 29.700 0.027 0.000 0.915 127 E HN 0.845 nan 8.360 nan 0.000 0.487 128 G N 3.057 111.872 108.800 0.026 0.000 2.195 128 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.246 128 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.246 128 G C 1.080 176.003 174.900 0.038 0.000 0.984 128 G CA 0.495 45.611 45.100 0.027 0.000 0.633 128 G HN 0.531 nan 8.290 nan 0.000 0.525 129 T N 0.145 114.726 114.554 0.045 0.000 2.976 129 T HA 0.398 4.748 4.350 -0.000 0.000 0.257 129 T C 1.525 176.271 174.700 0.078 0.000 1.051 129 T CA 1.456 63.601 62.100 0.076 0.000 1.141 129 T CB 0.136 69.053 68.868 0.081 0.000 0.881 129 T HN 1.006 nan 8.240 nan 0.000 0.461 130 G N 0.137 108.956 108.800 0.031 0.000 2.491 130 G HA2 0.711 4.670 3.960 -0.000 0.000 0.327 130 G HA3 0.711 4.670 3.960 -0.000 0.000 0.327 130 G C -1.252 173.655 174.900 0.012 0.000 1.189 130 G CA -0.261 44.841 45.100 0.003 0.000 0.956 130 G HN 0.483 nan 8.290 nan 0.000 0.491 131 A N -0.113 122.709 122.820 0.004 0.000 2.606 131 A HA 0.792 5.112 4.320 -0.000 0.000 0.293 131 A C -0.744 176.839 177.584 -0.001 0.000 1.082 131 A CA -0.669 51.372 52.037 0.006 0.000 0.685 131 A CB 1.416 20.425 19.000 0.016 0.000 1.284 131 A HN 0.644 nan 8.150 nan 0.000 0.408 132 M N 0.541 120.141 119.600 -0.001 0.000 2.535 132 M HA 0.716 5.195 4.480 -0.000 0.000 0.314 132 M C -0.279 176.020 176.300 -0.002 0.000 1.153 132 M CA -0.579 54.720 55.300 -0.003 0.000 0.924 132 M CB 2.391 34.989 32.600 -0.003 0.000 1.710 132 M HN 1.045 nan 8.290 nan 0.000 0.451 133 A N 1.477 124.294 122.820 -0.004 0.000 2.422 133 A HA 0.874 5.194 4.320 -0.000 0.000 0.302 133 A C -0.924 176.654 177.584 -0.009 0.000 1.041 133 A CA -0.758 51.276 52.037 -0.004 0.000 0.708 133 A CB 1.378 20.378 19.000 -0.000 0.000 1.257 133 A HN 0.902 nan 8.150 nan 0.000 0.414 134 A N 2.845 125.661 122.820 -0.006 0.000 2.347 134 A HA 0.565 4.885 4.320 -0.000 0.000 0.287 134 A C -0.112 177.471 177.584 -0.001 0.000 1.199 134 A CA -0.202 51.832 52.037 -0.006 0.000 0.851 134 A CB -0.321 18.677 19.000 -0.004 0.000 1.118 134 A HN 0.622 nan 8.150 nan 0.000 0.525 135 I N 3.916 124.485 120.570 -0.002 0.000 2.312 135 I HA 0.287 4.456 4.170 -0.000 0.000 0.291 135 I C -0.008 176.120 176.117 0.018 0.000 1.031 135 I CA -0.261 61.044 61.300 0.008 0.000 1.293 135 I CB 0.525 38.529 38.000 0.007 0.000 1.403 135 I HN 0.482 nan 8.210 nan 0.000 0.484 136 I N 4.707 125.288 120.570 0.020 0.000 2.362 136 I HA 0.440 4.609 4.170 -0.000 0.000 0.289 136 I C 0.782 176.915 176.117 0.027 0.000 0.994 136 I CA -0.151 61.163 61.300 0.024 0.000 1.158 136 I CB 1.751 39.762 38.000 0.018 0.000 1.315 136 I HN 0.840 nan 8.210 nan 0.000 0.451 137 G N 5.593 114.413 108.800 0.034 0.000 2.165 137 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.226 137 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.226 137 G C -0.619 174.302 174.900 0.034 0.000 1.035 137 G CA -0.210 44.910 45.100 0.033 0.000 0.744 137 G HN 0.534 nan 8.290 nan 0.000 0.501 138 L N 0.556 121.804 121.223 0.042 0.000 2.401 138 L HA 0.650 4.989 4.340 -0.000 0.000 0.266 138 L C 0.117 177.024 176.870 0.061 0.000 0.991 138 L CA -0.794 54.073 54.840 0.045 0.000 0.818 138 L CB 1.452 43.536 42.059 0.042 0.000 1.321 138 L HN 0.360 nan 8.230 nan 0.000 0.413 139 D N 1.119 121.554 120.400 0.058 0.000 2.362 139 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 139 D C 0.346 176.702 176.300 0.094 0.000 1.132 139 D CA -0.337 53.703 54.000 0.067 0.000 0.907 139 D CB 0.949 41.778 40.800 0.048 0.000 1.195 139 D HN 0.453 nan 8.370 nan 0.000 0.429 140 D N 1.359 121.831 120.400 0.120 0.000 2.158 140 D HA -0.204 4.436 4.640 -0.000 0.000 0.197 140 D C 2.016 178.414 176.300 0.163 0.000 0.995 140 D CA 1.873 55.995 54.000 0.203 0.000 0.846 140 D CB -0.482 40.410 40.800 0.152 0.000 0.941 140 D HN 0.592 nan 8.370 nan 0.000 0.456 141 A N 0.153 123.026 122.820 0.090 0.000 1.897 141 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 141 A C 2.408 180.033 177.584 0.068 0.000 1.181 141 A CA 1.474 53.551 52.037 0.068 0.000 0.620 141 A CB -0.455 18.567 19.000 0.037 0.000 0.821 141 A HN 0.138 nan 8.150 nan 0.000 0.443 142 S N -0.122 115.614 115.700 0.061 0.000 2.399 142 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 142 S C 1.738 176.372 174.600 0.057 0.000 1.022 142 S CA 1.407 59.638 58.200 0.051 0.000 0.983 142 S CB -0.443 62.783 63.200 0.043 0.000 0.803 142 S HN 0.543 nan 8.310 nan 0.000 0.480 143 I N 1.297 121.912 120.570 0.075 0.000 2.233 143 I HA -0.128 4.042 4.170 -0.000 0.000 0.243 143 I C 2.697 178.857 176.117 0.072 0.000 1.093 143 I CA 0.930 62.271 61.300 0.069 0.000 1.380 143 I CB -0.506 37.541 38.000 0.078 0.000 1.067 143 I HN 0.255 nan 8.210 nan 0.000 0.413 144 A N 1.113 123.995 122.820 0.103 0.000 1.908 144 A HA -0.284 4.035 4.320 -0.000 0.000 0.218 144 A C 2.387 180.012 177.584 0.068 0.000 1.181 144 A CA 2.169 54.266 52.037 0.100 0.000 0.627 144 A CB -0.568 18.508 19.000 0.127 0.000 0.818 144 A HN 0.418 nan 8.150 nan 0.000 0.445 145 K N -0.284 120.151 120.400 0.058 0.000 2.057 145 K HA -0.020 4.300 4.320 -0.000 0.000 0.206 145 K C 2.126 178.749 176.600 0.039 0.000 1.050 145 K CA 1.256 57.570 56.287 0.044 0.000 0.935 145 K CB -0.406 32.117 32.500 0.038 0.000 0.715 145 K HN 0.298 nan 8.250 nan 0.000 0.439 146 A N 1.028 123.872 122.820 0.039 0.000 1.940 146 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 146 A C 2.407 180.011 177.584 0.033 0.000 1.176 146 A CA 1.774 53.830 52.037 0.033 0.000 0.631 146 A CB -1.055 17.964 19.000 0.031 0.000 0.814 146 A HN 0.594 nan 8.150 nan 0.000 0.446 147 C N -1.086 118.237 119.300 0.038 0.000 2.466 147 C HA -0.033 4.426 4.460 -0.000 0.000 0.278 147 C C 2.631 177.646 174.990 0.041 0.000 1.288 147 C CA 0.974 60.015 59.018 0.038 0.000 1.722 147 C CB -1.227 26.537 27.740 0.040 0.000 2.017 147 C HN 0.698 nan 8.230 nan 0.000 0.488 148 E N 0.826 121.052 120.200 0.043 0.000 2.058 148 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 148 E C 2.053 178.673 176.600 0.034 0.000 0.997 148 E CA 1.421 57.844 56.400 0.040 0.000 0.801 148 E CB -0.210 29.514 29.700 0.039 0.000 0.746 148 E HN 0.670 nan 8.360 nan 0.000 0.450 149 E N -0.019 120.199 120.200 0.030 0.000 2.150 149 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 149 E C 1.842 178.457 176.600 0.025 0.000 0.985 149 E CA 0.849 57.264 56.400 0.025 0.000 0.814 149 E CB -0.014 29.700 29.700 0.023 0.000 0.752 149 E HN 0.218 nan 8.360 nan 0.000 0.466 150 A N 0.966 123.802 122.820 0.028 0.000 2.132 150 A HA 0.252 4.572 4.320 -0.000 0.000 0.213 150 A C 2.218 179.820 177.584 0.031 0.000 1.154 150 A CA 0.825 52.878 52.037 0.027 0.000 0.753 150 A CB -0.075 18.942 19.000 0.028 0.000 0.826 150 A HN 0.241 nan 8.150 nan 0.000 0.469 151 A N -0.327 122.515 122.820 0.037 0.000 1.845 151 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 151 A C 1.048 178.652 177.584 0.034 0.000 1.195 151 A CA 1.503 53.567 52.037 0.046 0.000 0.616 151 A CB -0.373 18.657 19.000 0.050 0.000 0.832 151 A HN 0.407 nan 8.150 nan 0.000 0.443 152 E N -2.271 117.944 120.200 0.025 0.000 2.360 152 E HA -0.247 4.103 4.350 -0.000 0.000 0.238 152 E C 0.887 177.491 176.600 0.007 0.000 1.186 152 E CA 1.460 57.868 56.400 0.013 0.000 0.719 152 E CB -2.164 27.540 29.700 0.008 0.000 1.236 152 E HN 1.712 nan 8.360 nan 0.000 0.386 153 G N -0.745 108.065 108.800 0.016 0.000 2.179 153 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.260 153 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.260 153 G C 0.457 175.362 174.900 0.007 0.000 0.977 153 G CA 0.855 45.962 45.100 0.011 0.000 0.641 153 G HN 0.406 nan 8.290 nan 0.000 0.533 154 Q N -0.883 118.924 119.800 0.012 0.000 2.177 154 Q HA 0.647 4.987 4.340 -0.000 0.000 0.183 154 Q C -0.036 176.078 176.000 0.190 0.000 1.040 154 Q CA -0.498 55.342 55.803 0.061 0.000 1.089 154 Q CB 1.457 30.206 28.738 0.017 0.000 1.130 154 Q HN 0.196 nan 8.270 nan 0.000 0.575 155 V N 1.061 121.211 119.914 0.393 0.000 2.417 155 V HA 0.525 4.644 4.120 -0.000 0.000 0.291 155 V C -0.823 175.340 176.094 0.114 0.000 1.024 155 V CA -0.425 61.984 62.300 0.182 0.000 0.861 155 V CB 1.561 33.426 31.823 0.071 0.000 0.985 155 V HN 0.439 nan 8.190 nan 0.000 0.436 156 V N 5.073 125.031 119.914 0.074 0.000 2.924 156 V HA 0.908 5.028 4.120 -0.000 0.000 0.300 156 V C -0.762 175.357 176.094 0.041 0.000 1.227 156 V CA 0.228 62.556 62.300 0.047 0.000 0.954 156 V CB 2.585 34.438 31.823 0.050 0.000 1.055 156 V HN 1.126 nan 8.190 nan 0.000 0.429 157 S N 5.367 121.083 115.700 0.026 0.000 2.588 157 S HA 0.763 5.233 4.470 -0.000 0.000 0.269 157 S C -3.424 171.167 174.600 -0.016 0.000 1.157 157 S CA -1.440 56.776 58.200 0.027 0.000 0.824 157 S CB 2.049 65.280 63.200 0.051 0.000 1.126 157 S HN 0.582 nan 8.310 nan 0.000 0.464 158 P HA 0.206 nan 4.420 nan 0.000 0.267 158 P C 0.860 178.024 177.300 -0.228 0.000 1.209 158 P CA -0.266 62.697 63.100 -0.228 0.000 0.763 158 P CB 0.674 32.159 31.700 -0.359 0.000 0.816 159 V N 0.036 119.821 119.914 -0.214 0.000 3.572 159 V HA 0.392 4.512 4.120 -0.000 0.000 0.260 159 V C 0.008 176.055 176.094 -0.079 0.000 1.324 159 V CA 0.532 62.793 62.300 -0.064 0.000 1.068 159 V CB -0.082 31.777 31.823 0.060 0.000 0.837 159 V HN 0.227 nan 8.190 nan 0.000 0.450 160 N N 0.964 119.560 118.700 -0.173 0.000 2.448 160 N HA 0.567 5.307 4.740 -0.000 0.000 0.279 160 N C -1.617 173.764 175.510 -0.217 0.000 1.025 160 N CA -0.299 52.707 53.050 -0.073 0.000 0.898 160 N CB 1.420 39.964 38.487 0.095 0.000 1.303 160 N HN 0.282 nan 8.380 nan 0.000 0.495 161 F N 1.778 121.793 119.950 0.107 0.000 2.377 161 F HA 0.370 4.897 4.527 -0.000 0.000 0.360 161 F C 1.454 177.381 175.800 0.211 0.000 1.147 161 F CA -0.556 57.517 58.000 0.122 0.000 1.170 161 F CB 0.486 39.534 39.000 0.080 0.000 1.339 161 F HN 0.335 nan 8.300 nan 0.000 0.552 162 N N 0.612 119.508 118.700 0.327 0.000 2.436 162 N HA 0.035 4.775 4.740 -0.000 0.000 0.178 162 N C 0.233 175.955 175.510 0.353 0.000 1.026 162 N CA 0.616 53.884 53.050 0.363 0.000 0.880 162 N CB 0.368 38.979 38.487 0.206 0.000 1.061 162 N HN 0.533 nan 8.380 nan 0.000 0.434 163 S N -1.198 114.647 115.700 0.242 0.000 2.636 163 S HA 0.511 4.980 4.470 -0.000 0.000 0.268 163 S C -3.141 171.551 174.600 0.154 0.000 1.159 163 S CA -1.277 57.036 58.200 0.190 0.000 0.815 163 S CB 1.738 65.030 63.200 0.153 0.000 1.130 163 S HN -0.243 nan 8.310 nan 0.000 0.471 164 P HA 0.293 nan 4.420 nan 0.000 0.257 164 P C 0.966 178.317 177.300 0.084 0.000 1.189 164 P CA 1.931 65.086 63.100 0.093 0.000 0.780 164 P CB -0.252 31.485 31.700 0.061 0.000 0.772 165 G N 2.615 111.468 108.800 0.089 0.000 2.157 165 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 165 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 165 G C -0.212 174.728 174.900 0.066 0.000 0.979 165 G CA -0.412 44.730 45.100 0.069 0.000 0.650 165 G HN 0.587 nan 8.290 nan 0.000 0.529 166 Q N -0.273 119.577 119.800 0.085 0.000 2.337 166 Q HA 0.605 4.945 4.340 -0.000 0.000 0.260 166 Q C -1.149 174.897 176.000 0.078 0.000 0.982 166 Q CA -0.668 55.178 55.803 0.070 0.000 0.734 166 Q CB 3.043 31.821 28.738 0.068 0.000 1.272 166 Q HN 0.236 nan 8.270 nan 0.000 0.461 167 V N 2.282 122.217 119.914 0.035 0.000 2.686 167 V HA 0.393 4.512 4.120 -0.000 0.000 0.306 167 V C -0.295 175.761 176.094 -0.062 0.000 1.065 167 V CA -0.820 61.462 62.300 -0.031 0.000 0.894 167 V CB 2.299 34.096 31.823 -0.044 0.000 1.004 167 V HN 0.516 nan 8.190 nan 0.000 0.424 168 V N 6.012 125.870 119.914 -0.093 0.000 2.439 168 V HA 0.551 4.671 4.120 -0.000 0.000 0.282 168 V C 0.056 176.087 176.094 -0.104 0.000 1.039 168 V CA -0.380 61.882 62.300 -0.065 0.000 0.913 168 V CB 1.456 33.267 31.823 -0.019 0.000 0.983 168 V HN 0.801 nan 8.190 nan 0.000 0.460 169 I N 2.032 122.564 120.570 -0.063 0.000 2.750 169 I HA 1.052 5.222 4.170 -0.000 0.000 0.308 169 I C -0.154 175.949 176.117 -0.023 0.000 1.016 169 I CA -0.642 60.626 61.300 -0.053 0.000 1.098 169 I CB 2.120 40.099 38.000 -0.035 0.000 1.279 169 I HN 0.683 nan 8.210 nan 0.000 0.454 170 A N 2.362 125.174 122.820 -0.014 0.000 2.610 170 A HA 0.989 5.309 4.320 -0.000 0.000 0.291 170 A C -0.358 177.218 177.584 -0.013 0.000 1.086 170 A CA -0.059 51.973 52.037 -0.009 0.000 0.677 170 A CB 1.072 20.068 19.000 -0.007 0.000 1.278 170 A HN 1.780 nan 8.150 nan 0.000 0.414 171 G N -0.836 107.943 108.800 -0.034 0.000 2.356 171 G HA2 0.416 4.376 3.960 -0.000 0.000 0.266 171 G HA3 0.416 4.376 3.960 -0.000 0.000 0.266 171 G C -1.062 173.781 174.900 -0.094 0.000 1.312 171 G CA -0.501 44.551 45.100 -0.079 0.000 0.922 171 G HN 1.230 nan 8.290 nan 0.000 0.480 172 H N 0.973 120.052 119.070 0.015 0.000 3.034 172 H HA 0.247 4.802 4.556 -0.000 0.000 0.324 172 H C 1.664 176.998 175.328 0.010 0.000 1.015 172 H CA 0.910 56.965 56.048 0.011 0.000 1.429 172 H CB 1.528 31.296 29.762 0.010 0.000 1.429 172 H HN 0.709 nan 8.280 nan 0.000 0.585 173 K N 2.630 123.108 120.400 0.130 0.000 2.052 173 K HA -0.304 4.016 4.320 -0.000 0.000 0.215 173 K C 1.287 177.925 176.600 0.064 0.000 1.053 173 K CA 2.266 58.597 56.287 0.073 0.000 0.934 173 K CB 0.109 32.643 32.500 0.057 0.000 0.717 173 K HN 0.629 nan 8.250 nan 0.000 0.450 174 E N -0.072 120.169 120.200 0.068 0.000 2.077 174 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 174 E C 1.887 178.513 176.600 0.044 0.000 0.989 174 E CA 1.390 57.814 56.400 0.040 0.000 0.800 174 E CB -0.226 29.486 29.700 0.019 0.000 0.746 174 E HN 0.493 nan 8.360 nan 0.000 0.452 175 A N 0.414 123.275 122.820 0.068 0.000 1.968 175 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 175 A C 2.405 180.019 177.584 0.050 0.000 1.169 175 A CA 1.008 53.083 52.037 0.063 0.000 0.638 175 A CB -0.491 18.567 19.000 0.096 0.000 0.812 175 A HN 0.151 nan 8.150 nan 0.000 0.446 176 V N 0.190 120.135 119.914 0.051 0.000 2.427 176 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 176 V C 2.347 178.456 176.094 0.025 0.000 1.051 176 V CA 2.187 64.507 62.300 0.033 0.000 1.048 176 V CB -0.800 31.039 31.823 0.027 0.000 0.666 176 V HN 0.638 nan 8.190 nan 0.000 0.456 177 E N 0.078 120.294 120.200 0.027 0.000 2.031 177 E HA -0.240 4.109 4.350 -0.000 0.000 0.193 177 E C 2.468 179.079 176.600 0.019 0.000 0.994 177 E CA 1.416 57.828 56.400 0.021 0.000 0.800 177 E CB -0.227 29.485 29.700 0.019 0.000 0.752 177 E HN 0.518 nan 8.360 nan 0.000 0.447 178 R N 0.433 120.946 120.500 0.022 0.000 2.091 178 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 178 R C 2.345 178.657 176.300 0.020 0.000 1.136 178 R CA 1.339 57.451 56.100 0.020 0.000 0.959 178 R CB -0.334 29.978 30.300 0.021 0.000 0.856 178 R HN 0.140 nan 8.270 nan 0.000 0.437 179 A N 0.542 123.376 122.820 0.023 0.000 1.897 179 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 179 A C 2.394 179.989 177.584 0.019 0.000 1.181 179 A CA 1.521 53.572 52.037 0.022 0.000 0.620 179 A CB -1.152 17.862 19.000 0.024 0.000 0.821 179 A HN 0.455 nan 8.150 nan 0.000 0.443 180 G N -0.056 108.754 108.800 0.016 0.000 2.553 180 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 180 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 180 G C 1.809 176.717 174.900 0.014 0.000 1.195 180 G CA 1.924 47.032 45.100 0.014 0.000 0.779 180 G HN 0.866 nan 8.290 nan 0.000 0.577 181 A N 1.053 123.882 122.820 0.014 0.000 1.908 181 A HA 0.175 4.495 4.320 -0.000 0.000 0.218 181 A C 2.834 180.427 177.584 0.015 0.000 1.181 181 A CA 2.627 54.672 52.037 0.013 0.000 0.627 181 A CB -0.846 18.162 19.000 0.013 0.000 0.818 181 A HN 0.964 nan 8.150 nan 0.000 0.445 182 A N -1.262 121.568 122.820 0.016 0.000 1.930 182 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 182 A C 2.304 179.900 177.584 0.019 0.000 1.175 182 A CA 1.556 53.603 52.037 0.018 0.000 0.627 182 A CB -1.204 17.808 19.000 0.020 0.000 0.815 182 A HN 0.598 nan 8.150 nan 0.000 0.443 183 C N -0.504 118.807 119.300 0.020 0.000 2.436 183 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 183 C C 2.748 177.749 174.990 0.019 0.000 1.241 183 C CA 1.200 60.231 59.018 0.021 0.000 1.721 183 C CB -0.749 27.003 27.740 0.020 0.000 2.043 183 C HN 0.508 nan 8.230 nan 0.000 0.472 184 K N 1.198 121.608 120.400 0.016 0.000 2.059 184 K HA -0.170 4.150 4.320 -0.000 0.000 0.212 184 K C 2.162 178.771 176.600 0.015 0.000 1.050 184 K CA 2.012 58.308 56.287 0.015 0.000 0.927 184 K CB -0.987 31.521 32.500 0.013 0.000 0.714 184 K HN 0.529 nan 8.250 nan 0.000 0.447 185 A N 0.804 123.633 122.820 0.015 0.000 2.019 185 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 185 A C 2.180 179.774 177.584 0.015 0.000 1.164 185 A CA 1.913 53.958 52.037 0.014 0.000 0.644 185 A CB -0.366 18.642 19.000 0.014 0.000 0.805 185 A HN 0.322 nan 8.150 nan 0.000 0.449 186 A N -2.146 120.685 122.820 0.018 0.000 2.218 186 A HA 0.432 4.751 4.320 -0.000 0.000 0.209 186 A C 1.582 179.178 177.584 0.020 0.000 1.168 186 A CA 1.224 53.272 52.037 0.020 0.000 0.804 186 A CB -0.523 18.491 19.000 0.023 0.000 0.834 186 A HN 1.774 nan 8.150 nan 0.000 0.482 187 G N -2.227 106.584 108.800 0.019 0.000 2.164 187 G HA2 0.223 4.183 3.960 -0.000 0.000 0.154 187 G HA3 0.223 4.183 3.960 -0.000 0.000 0.154 187 G C 0.298 175.210 174.900 0.019 0.000 1.014 187 G CA -0.030 45.081 45.100 0.018 0.000 0.683 187 G HN 1.388 nan 8.290 nan 0.000 0.500 188 A N 0.297 123.129 122.820 0.020 0.000 2.511 188 A HA 0.620 4.940 4.320 -0.000 0.000 0.242 188 A C 1.386 178.981 177.584 0.018 0.000 1.069 188 A CA 1.363 53.413 52.037 0.021 0.000 0.763 188 A CB 0.488 19.501 19.000 0.021 0.000 1.001 188 A HN 0.762 nan 8.150 nan 0.000 0.498 189 K N 1.547 121.958 120.400 0.018 0.000 2.057 189 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 189 K C 0.596 177.204 176.600 0.013 0.000 1.050 189 K CA 1.241 57.538 56.287 0.015 0.000 0.935 189 K CB 0.035 32.545 32.500 0.016 0.000 0.715 189 K HN 0.746 nan 8.250 nan 0.000 0.439 190 R N -1.258 119.251 120.500 0.014 0.000 2.739 190 R HA 0.501 4.841 4.340 -0.000 0.000 0.271 190 R C -1.713 174.593 176.300 0.011 0.000 1.010 190 R CA -0.567 55.540 56.100 0.011 0.000 0.897 190 R CB 2.219 32.524 30.300 0.009 0.000 1.236 190 R HN 0.095 nan 8.270 nan 0.000 0.466 191 A N 3.021 125.847 122.820 0.009 0.000 2.586 191 A HA 0.390 4.710 4.320 -0.000 0.000 0.320 191 A C -0.656 176.931 177.584 0.005 0.000 1.281 191 A CA -0.549 51.493 52.037 0.007 0.000 0.775 191 A CB 0.392 19.398 19.000 0.009 0.000 1.122 191 A HN 0.483 nan 8.150 nan 0.000 0.470 192 L N 3.386 124.611 121.223 0.003 0.000 2.281 192 L HA 0.332 4.672 4.340 -0.000 0.000 0.285 192 L C -2.255 174.615 176.870 -0.000 0.000 1.074 192 L CA -1.930 52.911 54.840 0.001 0.000 0.817 192 L CB 1.678 43.737 42.059 -0.001 0.000 1.168 192 L HN 0.388 nan 8.230 nan 0.000 0.434 193 P HA 0.194 nan 4.420 nan 0.000 0.276 193 P C -0.992 176.307 177.300 -0.002 0.000 1.235 193 P CA -0.339 62.761 63.100 0.000 0.000 0.772 193 P CB 0.714 32.415 31.700 0.002 0.000 0.871 194 L N 5.223 126.443 121.223 -0.004 0.000 2.352 194 L HA 0.492 4.831 4.340 -0.000 0.000 0.269 194 L C -1.757 175.109 176.870 -0.006 0.000 1.034 194 L CA -2.227 52.609 54.840 -0.007 0.000 0.806 194 L CB -0.424 41.630 42.059 -0.009 0.000 1.244 194 L HN 0.274 nan 8.230 nan 0.000 0.447 195 P HA -0.016 nan 4.420 nan 0.000 0.235 195 P C 0.623 177.918 177.300 -0.008 0.000 1.670 195 P CA 0.196 63.291 63.100 -0.010 0.000 1.017 195 P CB 0.097 31.787 31.700 -0.016 0.000 1.945 196 V N 0.551 120.463 119.914 -0.003 0.000 2.337 196 V HA -0.061 4.059 4.120 -0.000 0.000 0.210 196 V C 1.644 177.741 176.094 0.004 0.000 1.053 196 V CA 2.028 64.327 62.300 -0.002 0.000 1.093 196 V CB -0.207 31.616 31.823 -0.001 0.000 0.690 196 V HN 0.522 nan 8.190 nan 0.000 0.475 197 S N -1.256 114.449 115.700 0.008 0.000 4.158 197 S HA -0.232 4.238 4.470 -0.000 0.000 0.604 197 S C 0.282 174.887 174.600 0.008 0.000 1.867 197 S CA 1.221 59.430 58.200 0.015 0.000 4.249 197 S CB -1.981 61.235 63.200 0.026 0.000 0.204 197 S HN 1.640 nan 8.310 nan 0.000 0.457 198 V N 5.218 125.140 119.914 0.013 0.000 2.486 198 V HA 0.166 4.285 4.120 -0.000 0.000 0.290 198 V C -1.829 174.253 176.094 -0.020 0.000 0.991 198 V CA 0.635 62.936 62.300 0.003 0.000 1.142 198 V CB 0.056 31.887 31.823 0.013 0.000 0.926 198 V HN 0.567 nan 8.190 nan 0.000 0.472 199 P HA 0.192 nan 4.420 nan 0.000 0.231 199 P C 0.052 177.319 177.300 -0.054 0.000 1.811 199 P CA -0.162 62.913 63.100 -0.042 0.000 1.051 199 P CB 0.150 31.812 31.700 -0.063 0.000 1.951 200 S N 2.164 117.810 115.700 -0.090 0.000 2.573 200 S HA 0.031 4.500 4.470 -0.000 0.000 0.277 200 S C 0.699 175.222 174.600 -0.127 0.000 1.346 200 S CA 0.162 58.228 58.200 -0.224 0.000 1.034 200 S CB -0.415 62.534 63.200 -0.418 0.000 0.879 200 S HN 0.513 nan 8.310 nan 0.000 0.528 201 H N -2.579 116.528 119.070 0.062 0.000 2.992 201 H HA -0.162 4.394 4.556 -0.000 0.000 0.266 201 H C 0.314 175.672 175.328 0.049 0.000 1.200 201 H CA 0.673 56.751 56.048 0.051 0.000 1.135 201 H CB -2.413 27.365 29.762 0.027 0.000 1.282 201 H HN 0.841 nan 8.280 nan 0.000 0.351 202 C N -3.488 115.893 119.300 0.135 0.000 3.028 202 C HA 0.890 5.350 4.460 -0.000 0.000 0.338 202 C C 2.186 177.257 174.990 0.136 0.000 1.366 202 C CA -0.179 58.907 59.018 0.114 0.000 1.610 202 C CB 1.312 29.079 27.740 0.045 0.000 2.063 202 C HN 0.369 nan 8.230 nan 0.000 0.463 203 A N -0.009 122.878 122.820 0.112 0.000 2.076 203 A HA -0.015 4.305 4.320 -0.000 0.000 0.220 203 A C 1.909 179.499 177.584 0.010 0.000 1.160 203 A CA 1.527 53.619 52.037 0.091 0.000 0.653 203 A CB -0.830 18.208 19.000 0.063 0.000 0.801 203 A HN 0.880 nan 8.150 nan 0.000 0.455 204 L N -1.131 120.077 121.223 -0.024 0.000 2.362 204 L HA -0.094 4.246 4.340 -0.000 0.000 0.219 204 L C 1.967 178.817 176.870 -0.033 0.000 1.134 204 L CA 0.483 55.282 54.840 -0.069 0.000 0.807 204 L CB -0.276 41.693 42.059 -0.151 0.000 0.927 204 L HN 0.360 nan 8.230 nan 0.000 0.447 205 M N -1.256 118.353 119.600 0.016 0.000 2.495 205 M HA -0.002 4.478 4.480 -0.000 0.000 0.237 205 M C 1.752 178.057 176.300 0.008 0.000 1.131 205 M CA 0.407 55.732 55.300 0.042 0.000 1.032 205 M CB -0.217 32.447 32.600 0.106 0.000 1.513 205 M HN -0.008 nan 8.290 nan 0.000 0.488 206 K N 1.865 122.200 120.400 -0.108 0.000 1.988 206 K HA -0.135 4.185 4.320 -0.000 0.000 0.221 206 K C -0.875 175.610 176.600 -0.191 0.000 1.053 206 K CA 1.885 57.982 56.287 -0.317 0.000 0.959 206 K CB -1.714 30.571 32.500 -0.358 0.000 0.728 206 K HN 0.096 nan 8.250 nan 0.000 0.447 207 P HA -0.114 nan 4.420 nan 0.000 0.217 207 P C 0.896 178.113 177.300 -0.140 0.000 1.148 207 P CA 1.844 64.868 63.100 -0.127 0.000 0.828 207 P CB -0.120 31.524 31.700 -0.094 0.000 0.783 208 A N 0.082 122.847 122.820 -0.091 0.000 1.902 208 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 208 A C 2.330 179.862 177.584 -0.086 0.000 1.181 208 A CA 2.008 53.998 52.037 -0.079 0.000 0.623 208 A CB -1.557 17.476 19.000 0.055 0.000 0.818 208 A HN 0.202 nan 8.150 nan 0.000 0.443 209 A N -0.015 122.802 122.820 -0.006 0.000 1.933 209 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 209 A C 1.730 179.304 177.584 -0.018 0.000 1.175 209 A CA 1.882 53.962 52.037 0.072 0.000 0.628 209 A CB -0.543 18.585 19.000 0.213 0.000 0.814 209 A HN 0.449 nan 8.150 nan 0.000 0.444 210 D N -0.262 120.077 120.400 -0.101 0.000 2.144 210 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 210 D C 1.921 178.118 176.300 -0.173 0.000 0.978 210 D CA 1.205 55.135 54.000 -0.116 0.000 0.833 210 D CB -0.190 40.531 40.800 -0.131 0.000 0.961 210 D HN 0.496 nan 8.370 nan 0.000 0.470 211 K N -0.001 120.206 120.400 -0.322 0.000 2.057 211 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 211 K C 2.023 178.341 176.600 -0.469 0.000 1.050 211 K CA 0.273 56.214 56.287 -0.577 0.000 0.935 211 K CB -0.150 31.641 32.500 -1.182 0.000 0.715 211 K HN 0.021 nan 8.250 nan 0.000 0.439 212 L N 1.336 122.397 121.223 -0.269 0.000 2.042 212 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 212 L C 2.193 179.130 176.870 0.111 0.000 1.076 212 L CA 1.763 56.689 54.840 0.144 0.000 0.749 212 L CB -0.654 41.554 42.059 0.248 0.000 0.893 212 L HN 0.133 nan 8.230 nan 0.000 0.432 213 A N -1.175 121.666 122.820 0.035 0.000 1.917 213 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 213 A C 2.262 179.858 177.584 0.019 0.000 1.182 213 A CA 2.180 54.233 52.037 0.026 0.000 0.633 213 A CB -1.150 17.850 19.000 0.001 0.000 0.819 213 A HN 0.323 nan 8.150 nan 0.000 0.448 214 V N 0.156 120.070 119.914 0.000 0.000 2.343 214 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 214 V C 2.535 178.664 176.094 0.059 0.000 1.051 214 V CA 2.061 64.367 62.300 0.010 0.000 1.036 214 V CB -0.692 31.121 31.823 -0.017 0.000 0.654 214 V HN 0.513 nan 8.190 nan 0.000 0.451 215 E N 0.152 120.422 120.200 0.115 0.000 2.072 215 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 215 E C 2.226 178.915 176.600 0.148 0.000 0.982 215 E CA 0.932 57.427 56.400 0.158 0.000 0.803 215 E CB -0.340 29.512 29.700 0.253 0.000 0.755 215 E HN 0.505 nan 8.360 nan 0.000 0.453 216 L N 0.616 121.928 121.223 0.148 0.000 2.131 216 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 216 L C 2.429 179.341 176.870 0.071 0.000 1.092 216 L CA 1.083 56.011 54.840 0.147 0.000 0.759 216 L CB -0.475 41.632 42.059 0.080 0.000 0.903 216 L HN 0.054 nan 8.230 nan 0.000 0.435 217 A N -0.144 122.693 122.820 0.028 0.000 2.015 217 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 217 A C 2.215 179.825 177.584 0.043 0.000 1.163 217 A CA 1.331 53.368 52.037 0.001 0.000 0.646 217 A CB -0.274 18.723 19.000 -0.005 0.000 0.806 217 A HN 0.338 nan 8.150 nan 0.000 0.448 218 K N -0.840 119.604 120.400 0.073 0.000 2.432 218 K HA 0.107 4.427 4.320 -0.000 0.000 0.196 218 K C -0.308 176.355 176.600 0.104 0.000 1.038 218 K CA 0.215 56.548 56.287 0.077 0.000 0.986 218 K CB 0.119 32.663 32.500 0.073 0.000 0.782 218 K HN 0.314 nan 8.250 nan 0.000 0.485 219 I N 1.510 122.178 120.570 0.164 0.000 2.377 219 I HA 0.085 4.255 4.170 -0.000 0.000 0.293 219 I C 0.278 176.577 176.117 0.303 0.000 0.987 219 I CA -0.535 60.896 61.300 0.218 0.000 1.185 219 I CB 1.451 39.628 38.000 0.294 0.000 1.341 219 I HN -0.141 nan 8.210 nan 0.000 0.455 220 T N 6.658 121.332 114.554 0.199 0.000 2.888 220 T HA 0.240 4.590 4.350 -0.000 0.000 0.301 220 T C -0.335 174.524 174.700 0.265 0.000 1.001 220 T CA 0.405 62.625 62.100 0.201 0.000 1.147 220 T CB -0.148 68.777 68.868 0.094 0.000 0.931 220 T HN 0.109 nan 8.240 nan 0.000 0.541 221 F N 3.557 123.515 119.950 0.013 0.000 2.444 221 F HA 0.422 4.949 4.527 -0.000 0.000 0.342 221 F C 0.803 176.605 175.800 0.003 0.000 1.121 221 F CA -1.210 56.793 58.000 0.006 0.000 0.997 221 F CB 1.306 40.305 39.000 -0.001 0.000 1.130 221 F HN 0.441 nan 8.300 nan 0.000 0.454 222 N N 1.304 120.044 118.700 0.067 0.000 2.477 222 N HA 0.605 5.345 4.740 -0.000 0.000 0.284 222 N C -0.595 174.944 175.510 0.048 0.000 1.182 222 N CA -0.720 52.359 53.050 0.048 0.000 0.949 222 N CB 1.662 40.153 38.487 0.007 0.000 1.204 222 N HN 0.596 nan 8.380 nan 0.000 0.526 223 A N 1.548 124.392 122.820 0.040 0.000 2.477 223 A HA 0.266 4.586 4.320 -0.000 0.000 0.246 223 A C -1.962 175.632 177.584 0.016 0.000 1.078 223 A CA -0.769 51.287 52.037 0.032 0.000 0.770 223 A CB -0.535 18.481 19.000 0.026 0.000 1.011 223 A HN 0.429 nan 8.150 nan 0.000 0.494 224 P HA 0.100 nan 4.420 nan 0.000 0.271 224 P C 0.734 178.038 177.300 0.007 0.000 1.216 224 P CA 0.192 63.292 63.100 0.000 0.000 0.776 224 P CB 0.821 32.522 31.700 0.002 0.000 0.881 225 T N -0.966 113.592 114.554 0.007 0.000 3.057 225 T HA 0.174 4.524 4.350 -0.000 0.000 0.254 225 T C 0.757 175.467 174.700 0.018 0.000 1.094 225 T CA 0.218 62.329 62.100 0.018 0.000 1.088 225 T CB -0.345 68.542 68.868 0.032 0.000 0.934 225 T HN 0.407 nan 8.240 nan 0.000 0.497 226 V N -1.387 118.535 119.914 0.014 0.000 2.841 226 V HA 0.729 4.849 4.120 -0.000 0.000 0.310 226 V C -3.386 172.715 176.094 0.012 0.000 1.090 226 V CA -3.013 59.293 62.300 0.009 0.000 0.930 226 V CB 2.108 33.939 31.823 0.014 0.000 1.014 226 V HN -0.138 nan 8.190 nan 0.000 0.425 227 P HA 0.275 nan 4.420 nan 0.000 0.264 227 P C -0.774 176.552 177.300 0.043 0.000 1.193 227 P CA 0.156 63.274 63.100 0.029 0.000 0.763 227 P CB 0.805 32.527 31.700 0.036 0.000 0.810 228 V N 4.985 124.922 119.914 0.038 0.000 2.378 228 V HA 0.157 4.277 4.120 -0.000 0.000 0.288 228 V C 0.142 176.257 176.094 0.035 0.000 1.016 228 V CA -0.763 61.565 62.300 0.046 0.000 0.840 228 V CB 1.934 33.767 31.823 0.017 0.000 0.994 228 V HN 0.222 nan 8.190 nan 0.000 0.431 229 V N 6.538 126.483 119.914 0.053 0.000 2.427 229 V HA 0.174 4.294 4.120 -0.000 0.000 0.268 229 V C 0.770 176.854 176.094 -0.017 0.000 1.046 229 V CA -0.397 61.901 62.300 -0.003 0.000 0.970 229 V CB 0.386 32.221 31.823 0.020 0.000 1.001 229 V HN 1.038 nan 8.190 nan 0.000 0.476 230 N N 3.696 122.359 118.700 -0.062 0.000 2.513 230 N HA 0.170 4.910 4.740 -0.000 0.000 0.274 230 N C 0.381 175.859 175.510 -0.053 0.000 1.189 230 N CA -0.836 52.186 53.050 -0.047 0.000 0.975 230 N CB 0.963 39.413 38.487 -0.062 0.000 1.157 230 N HN 0.417 nan 8.380 nan 0.000 0.465 231 N N 0.594 119.276 118.700 -0.030 0.000 2.188 231 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 231 N C 1.500 176.966 175.510 -0.074 0.000 1.018 231 N CA 0.533 53.562 53.050 -0.034 0.000 0.858 231 N CB -0.273 38.173 38.487 -0.069 0.000 0.989 231 N HN 0.501 nan 8.380 nan 0.000 0.426 232 V N 0.532 120.391 119.914 -0.091 0.000 2.446 232 V HA -0.053 4.067 4.120 -0.000 0.000 0.244 232 V C 0.600 176.634 176.094 -0.099 0.000 1.039 232 V CA 1.680 63.918 62.300 -0.103 0.000 1.045 232 V CB 0.004 31.754 31.823 -0.121 0.000 0.681 232 V HN 0.080 nan 8.190 nan 0.000 0.459 233 D N -0.979 119.355 120.400 -0.109 0.000 2.441 233 D HA 0.203 4.843 4.640 -0.000 0.000 0.210 233 D C 0.772 176.971 176.300 -0.169 0.000 1.102 233 D CA 0.670 54.597 54.000 -0.122 0.000 0.840 233 D CB 0.974 41.708 40.800 -0.111 0.000 0.990 233 D HN 0.209 nan 8.370 nan 0.000 0.505 234 V N 0.755 120.556 119.914 -0.188 0.000 5.767 234 V HA -0.313 3.807 4.120 -0.000 0.000 0.311 234 V C 0.162 175.992 176.094 -0.440 0.000 0.532 234 V CA 1.064 63.185 62.300 -0.298 0.000 0.659 234 V CB -1.954 29.688 31.823 -0.302 0.000 0.353 234 V HN 0.218 nan 8.190 nan 0.000 1.082 235 K N -0.571 119.653 120.400 -0.294 0.000 2.318 235 K HA 0.634 4.954 4.320 -0.000 0.000 0.249 235 K C -0.328 176.176 176.600 -0.160 0.000 0.942 235 K CA -0.638 55.496 56.287 -0.255 0.000 0.808 235 K CB 2.242 34.648 32.500 -0.156 0.000 1.189 235 K HN 0.285 nan 8.250 nan 0.000 0.428 236 C N 3.327 122.567 119.300 -0.101 0.000 2.116 236 C HA 0.226 4.686 4.460 -0.000 0.000 0.367 236 C C 0.205 175.186 174.990 -0.015 0.000 1.039 236 C CA -0.929 58.077 59.018 -0.021 0.000 1.465 236 C CB -1.305 26.463 27.740 0.047 0.000 1.783 236 C HN 0.575 nan 8.230 nan 0.000 0.470 237 E N 1.191 121.377 120.200 -0.023 0.000 2.373 237 E HA 0.222 4.572 4.350 -0.000 0.000 0.263 237 E C 1.053 177.656 176.600 0.005 0.000 1.073 237 E CA 0.204 56.596 56.400 -0.013 0.000 0.894 237 E CB 1.223 30.911 29.700 -0.020 0.000 1.008 237 E HN 0.733 nan 8.360 nan 0.000 0.420 238 T N -2.367 112.193 114.554 0.009 0.000 2.954 238 T HA 0.001 4.351 4.350 -0.000 0.000 0.252 238 T C 0.664 175.380 174.700 0.027 0.000 0.983 238 T CA -0.363 61.749 62.100 0.019 0.000 0.941 238 T CB 0.148 69.025 68.868 0.015 0.000 1.141 238 T HN 0.352 nan 8.240 nan 0.000 0.500 239 N N 1.605 120.314 118.700 0.016 0.000 2.452 239 N HA 0.117 4.856 4.740 -0.000 0.000 0.266 239 N C 1.550 177.076 175.510 0.026 0.000 1.209 239 N CA 0.534 53.593 53.050 0.015 0.000 0.929 239 N CB 1.195 39.680 38.487 -0.002 0.000 1.063 239 N HN 0.361 nan 8.380 nan 0.000 0.472 240 G N 3.371 112.202 108.800 0.051 0.000 2.469 240 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 240 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 240 G C 0.909 175.786 174.900 -0.038 0.000 1.150 240 G CA 0.761 45.925 45.100 0.107 0.000 0.763 240 G HN 0.716 nan 8.290 nan 0.000 0.561 241 D N 0.877 121.235 120.400 -0.070 0.000 2.234 241 D HA 0.068 4.708 4.640 -0.000 0.000 0.205 241 D C 2.699 178.925 176.300 -0.123 0.000 0.962 241 D CA 0.888 54.807 54.000 -0.136 0.000 0.855 241 D CB -0.182 40.569 40.800 -0.082 0.000 0.951 241 D HN 0.361 nan 8.370 nan 0.000 0.500 242 A N 0.938 123.715 122.820 -0.072 0.000 1.968 242 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 242 A C 2.296 179.840 177.584 -0.067 0.000 1.169 242 A CA 0.511 52.512 52.037 -0.060 0.000 0.638 242 A CB -0.487 18.492 19.000 -0.036 0.000 0.812 242 A HN 0.114 nan 8.150 nan 0.000 0.446 243 I N -1.219 119.320 120.570 -0.051 0.000 2.202 243 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 243 I C 2.708 178.770 176.117 -0.091 0.000 1.091 243 I CA 1.154 62.446 61.300 -0.014 0.000 1.368 243 I CB -0.361 37.715 38.000 0.127 0.000 1.058 243 I HN 0.289 nan 8.210 nan 0.000 0.410 244 R N 0.713 121.022 120.500 -0.319 0.000 2.136 244 R HA -0.307 4.033 4.340 -0.000 0.000 0.242 244 R C 1.996 178.183 176.300 -0.188 0.000 1.131 244 R CA 2.677 58.504 56.100 -0.455 0.000 0.937 244 R CB -0.561 29.340 30.300 -0.665 0.000 0.863 244 R HN 0.372 nan 8.270 nan 0.000 0.435 245 D N -0.704 119.611 120.400 -0.141 0.000 2.218 245 D HA -0.116 4.524 4.640 -0.000 0.000 0.204 245 D C 1.571 177.841 176.300 -0.049 0.000 0.976 245 D CA 1.280 55.237 54.000 -0.071 0.000 0.853 245 D CB 0.069 40.834 40.800 -0.058 0.000 0.939 245 D HN 0.360 nan 8.370 nan 0.000 0.481 246 A N -0.308 122.474 122.820 -0.063 0.000 2.014 246 A HA 0.031 4.350 4.320 -0.000 0.000 0.218 246 A C 2.219 179.774 177.584 -0.049 0.000 1.163 246 A CA 0.524 52.525 52.037 -0.060 0.000 0.652 246 A CB -0.494 18.468 19.000 -0.063 0.000 0.808 246 A HN 0.347 nan 8.150 nan 0.000 0.449 247 L N -0.669 120.532 121.223 -0.037 0.000 2.109 247 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 247 L C 2.463 179.389 176.870 0.092 0.000 1.086 247 L CA 0.712 55.556 54.840 0.007 0.000 0.760 247 L CB -0.496 41.557 42.059 -0.011 0.000 0.910 247 L HN 0.228 nan 8.230 nan 0.000 0.437 248 V N -0.070 119.890 119.914 0.076 0.000 2.261 248 V HA -0.295 3.824 4.120 -0.000 0.000 0.246 248 V C 2.587 178.761 176.094 0.133 0.000 1.047 248 V CA 1.811 64.191 62.300 0.134 0.000 1.015 248 V CB -0.640 31.251 31.823 0.113 0.000 0.642 248 V HN 0.404 nan 8.190 nan 0.000 0.446 249 R N -0.504 119.993 120.500 -0.004 0.000 2.120 249 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 249 R C 2.440 178.522 176.300 -0.363 0.000 1.123 249 R CA 1.330 57.248 56.100 -0.304 0.000 0.975 249 R CB -0.367 29.797 30.300 -0.226 0.000 0.866 249 R HN 0.603 nan 8.270 nan 0.000 0.446 250 Q N 0.761 120.491 119.800 -0.116 0.000 2.152 250 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 250 Q C 1.960 178.020 176.000 0.100 0.000 0.985 250 Q CA 1.459 57.236 55.803 -0.044 0.000 0.863 250 Q CB -0.036 28.723 28.738 0.035 0.000 0.904 250 Q HN 0.221 nan 8.270 nan 0.000 0.422 251 L N 0.285 121.614 121.223 0.177 0.000 2.201 251 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 251 L C 1.453 178.520 176.870 0.327 0.000 1.105 251 L CA 1.455 56.479 54.840 0.307 0.000 0.775 251 L CB -0.187 42.039 42.059 0.279 0.000 0.913 251 L HN 0.449 nan 8.230 nan 0.000 0.440 252 Y N -3.470 116.928 120.300 0.164 0.000 2.612 252 Y HA 0.496 5.046 4.550 -0.000 0.000 0.250 252 Y C 0.218 176.186 175.900 0.113 0.000 1.175 252 Y CA -1.200 56.968 58.100 0.113 0.000 1.205 252 Y CB -0.642 37.854 38.460 0.059 0.000 1.201 252 Y HN -0.037 nan 8.280 nan 0.000 0.532 253 N N 2.054 120.703 118.700 -0.084 0.000 2.312 253 N HA 0.372 5.112 4.740 -0.000 0.000 0.296 253 N C -3.108 172.391 175.510 -0.017 0.000 1.193 253 N CA -1.775 51.226 53.050 -0.081 0.000 0.773 253 N CB 2.182 40.533 38.487 -0.226 0.000 1.435 253 N HN -0.121 nan 8.380 nan 0.000 0.484 254 P HA 0.052 nan 4.420 nan 0.000 0.269 254 P C -0.258 177.008 177.300 -0.057 0.000 1.209 254 P CA -0.119 62.999 63.100 0.030 0.000 0.776 254 P CB 0.694 32.518 31.700 0.207 0.000 0.876 255 V N 4.640 124.456 119.914 -0.164 0.000 2.427 255 V HA 0.019 4.138 4.120 -0.000 0.000 0.268 255 V C 1.196 177.339 176.094 0.081 0.000 1.046 255 V CA 0.193 62.381 62.300 -0.187 0.000 0.970 255 V CB 0.000 31.569 31.823 -0.423 0.000 1.001 255 V HN 0.445 nan 8.190 nan 0.000 0.476 256 Q N 5.091 124.945 119.800 0.089 0.000 3.181 256 Q HA 0.024 4.364 4.340 -0.000 0.000 0.293 256 Q C 0.934 177.020 176.000 0.144 0.000 1.406 256 Q CA -0.091 55.792 55.803 0.133 0.000 1.026 256 Q CB 0.258 28.992 28.738 -0.006 0.000 1.630 256 Q HN 0.968 nan 8.270 nan 0.000 0.553 257 W N 1.890 123.211 121.300 0.036 0.000 2.407 257 W HA -0.165 4.495 4.660 -0.000 0.000 0.305 257 W C 0.957 177.521 176.519 0.075 0.000 1.196 257 W CA 1.545 58.919 57.345 0.049 0.000 1.311 257 W CB 0.229 29.763 29.460 0.124 0.000 1.135 257 W HN 0.272 nan 8.180 nan 0.000 0.514 258 T N 1.355 116.000 114.554 0.152 0.000 2.624 258 T HA -0.287 4.063 4.350 -0.000 0.000 0.268 258 T C 1.692 176.331 174.700 -0.102 0.000 1.041 258 T CA 2.345 64.459 62.100 0.023 0.000 1.159 258 T CB -0.390 68.540 68.868 0.103 0.000 0.863 258 T HN 0.138 nan 8.240 nan 0.000 0.434 259 K N 0.579 120.923 120.400 -0.094 0.000 2.217 259 K HA 0.065 4.385 4.320 -0.000 0.000 0.202 259 K C 2.768 179.294 176.600 -0.123 0.000 1.051 259 K CA 0.867 57.090 56.287 -0.106 0.000 0.952 259 K CB -0.053 32.375 32.500 -0.119 0.000 0.736 259 K HN 0.154 nan 8.250 nan 0.000 0.453 260 S N 0.677 116.251 115.700 -0.210 0.000 2.368 260 S HA -0.089 4.380 4.470 -0.000 0.000 0.224 260 S C 2.045 176.465 174.600 -0.298 0.000 1.029 260 S CA 0.903 58.951 58.200 -0.254 0.000 0.988 260 S CB -0.065 62.917 63.200 -0.364 0.000 0.838 260 S HN 0.030 nan 8.310 nan 0.000 0.462 261 V N 1.995 121.612 119.914 -0.494 0.000 2.407 261 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 261 V C 2.289 178.278 176.094 -0.175 0.000 1.055 261 V CA 1.621 63.693 62.300 -0.380 0.000 1.049 261 V CB -0.641 30.931 31.823 -0.419 0.000 0.662 261 V HN 0.490 nan 8.190 nan 0.000 0.455 262 E N -0.983 119.143 120.200 -0.124 0.000 2.110 262 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 262 E C 2.104 178.685 176.600 -0.032 0.000 0.988 262 E CA 1.604 57.965 56.400 -0.065 0.000 0.804 262 E CB -0.229 29.444 29.700 -0.045 0.000 0.745 262 E HN 0.743 nan 8.360 nan 0.000 0.458 263 Y N 1.084 121.303 120.300 -0.135 0.000 2.145 263 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 263 Y C 2.139 177.978 175.900 -0.100 0.000 1.145 263 Y CA 1.586 59.620 58.100 -0.110 0.000 1.148 263 Y CB -0.072 38.319 38.460 -0.114 0.000 0.981 263 Y HN -0.046 nan 8.280 nan 0.000 0.507 264 M N -0.460 119.088 119.600 -0.085 0.000 2.080 264 M HA -0.239 4.241 4.480 -0.000 0.000 0.260 264 M C 2.489 178.687 176.300 -0.169 0.000 1.068 264 M CA 1.757 56.969 55.300 -0.145 0.000 1.109 264 M CB -0.738 31.813 32.600 -0.082 0.000 1.342 264 M HN 0.432 nan 8.290 nan 0.000 0.405 265 A N 0.561 123.302 122.820 -0.131 0.000 1.908 265 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 265 A C 2.352 179.857 177.584 -0.131 0.000 1.181 265 A CA 2.100 54.072 52.037 -0.108 0.000 0.627 265 A CB -0.987 17.965 19.000 -0.081 0.000 0.818 265 A HN 0.534 nan 8.150 nan 0.000 0.445 266 A N -1.487 121.230 122.820 -0.171 0.000 2.070 266 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 266 A C 1.869 179.315 177.584 -0.230 0.000 1.159 266 A CA 1.514 53.441 52.037 -0.184 0.000 0.656 266 A CB -0.285 18.604 19.000 -0.185 0.000 0.800 266 A HN 0.472 nan 8.150 nan 0.000 0.453 267 Q N -1.464 118.155 119.800 -0.302 0.000 2.403 267 Q HA 0.198 4.538 4.340 -0.000 0.000 0.203 267 Q C 1.232 177.136 176.000 -0.161 0.000 0.932 267 Q CA 0.774 56.416 55.803 -0.268 0.000 0.945 267 Q CB 0.086 28.623 28.738 -0.336 0.000 1.045 267 Q HN 0.978 nan 8.270 nan 0.000 0.511 268 G N -0.346 108.378 108.800 -0.128 0.000 2.179 268 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.220 268 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.220 268 G C 0.173 175.035 174.900 -0.064 0.000 0.990 268 G CA 0.074 45.124 45.100 -0.083 0.000 0.646 268 G HN 0.204 nan 8.290 nan 0.000 0.517 269 V N 0.884 120.753 119.914 -0.075 0.000 2.673 269 V HA 0.253 4.373 4.120 -0.000 0.000 0.303 269 V C 1.313 177.399 176.094 -0.014 0.000 1.046 269 V CA 1.446 63.722 62.300 -0.041 0.000 1.126 269 V CB 1.295 33.089 31.823 -0.048 0.000 0.934 269 V HN 0.522 nan 8.190 nan 0.000 0.487 270 E N 1.769 121.990 120.200 0.034 0.000 2.434 270 E HA 0.162 4.512 4.350 -0.000 0.000 0.207 270 E C -0.151 176.503 176.600 0.090 0.000 0.929 270 E CA 0.014 56.443 56.400 0.050 0.000 1.001 270 E CB 0.757 30.494 29.700 0.062 0.000 1.016 270 E HN 0.809 nan 8.360 nan 0.000 0.502 271 H N -0.079 118.980 119.070 -0.019 0.000 2.771 271 H HA 0.395 4.951 4.556 -0.000 0.000 0.361 271 H C -1.561 173.711 175.328 -0.093 0.000 1.108 271 H CA -0.571 55.415 56.048 -0.104 0.000 1.201 271 H CB 0.966 30.605 29.762 -0.205 0.000 1.681 271 H HN -0.143 nan 8.280 nan 0.000 0.534 272 L N 5.282 126.144 121.223 -0.602 0.000 2.287 272 L HA 0.333 4.673 4.340 -0.000 0.000 0.287 272 L C -0.923 175.643 176.870 -0.507 0.000 1.022 272 L CA -0.872 53.770 54.840 -0.331 0.000 0.814 272 L CB 0.861 42.824 42.059 -0.160 0.000 1.217 272 L HN 0.599 nan 8.230 nan 0.000 0.420 273 Y N 1.417 121.693 120.300 -0.040 0.000 2.326 273 Y HA 0.194 4.744 4.550 -0.000 0.000 0.337 273 Y C 0.501 176.248 175.900 -0.254 0.000 1.023 273 Y CA -0.606 57.411 58.100 -0.139 0.000 1.143 273 Y CB 1.291 39.629 38.460 -0.203 0.000 1.183 273 Y HN 0.506 nan 8.280 nan 0.000 0.485 274 E N 3.155 123.306 120.200 -0.082 0.000 2.052 274 E HA 0.317 4.667 4.350 -0.000 0.000 0.283 274 E C -1.203 175.239 176.600 -0.265 0.000 1.071 274 E CA -0.289 56.018 56.400 -0.155 0.000 0.851 274 E CB 0.446 30.101 29.700 -0.075 0.000 1.066 274 E HN 0.467 nan 8.360 nan 0.000 0.396 275 V N 5.160 124.793 119.914 -0.469 0.000 2.174 275 V HA 0.564 4.684 4.120 -0.000 0.000 0.259 275 V C 0.518 176.510 176.094 -0.170 0.000 1.261 275 V CA 0.280 62.292 62.300 -0.480 0.000 1.137 275 V CB 0.028 31.353 31.823 -0.829 0.000 1.290 275 V HN 0.767 nan 8.190 nan 0.000 0.486 276 G N 4.521 113.276 108.800 -0.076 0.000 2.322 276 G HA2 0.445 4.405 3.960 -0.000 0.000 0.295 276 G HA3 0.445 4.405 3.960 -0.000 0.000 0.295 276 G C -3.502 171.409 174.900 0.019 0.000 1.369 276 G CA -0.777 44.339 45.100 0.028 0.000 0.821 276 G HN 0.205 nan 8.290 nan 0.000 0.536 277 P HA 0.488 nan 4.420 nan 0.000 0.272 277 P C 0.822 178.125 177.300 0.004 0.000 1.223 277 P CA 1.436 64.556 63.100 0.034 0.000 0.784 277 P CB 1.142 32.872 31.700 0.050 0.000 0.923 278 G N 1.868 110.667 108.800 -0.002 0.000 2.782 278 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.228 278 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.228 278 G C -0.462 174.426 174.900 -0.020 0.000 1.372 278 G CA -0.262 44.828 45.100 -0.015 0.000 0.862 278 G HN 0.585 nan 8.290 nan 0.000 0.547 279 K N -0.362 120.023 120.400 -0.025 0.000 2.860 279 K HA 0.420 4.739 4.320 -0.000 0.000 0.204 279 K C 1.616 178.197 176.600 -0.031 0.000 1.127 279 K CA 0.023 56.296 56.287 -0.022 0.000 1.050 279 K CB 1.008 33.502 32.500 -0.009 0.000 0.745 279 K HN 0.285 nan 8.250 nan 0.000 0.459 280 V N 0.816 120.697 119.914 -0.056 0.000 2.270 280 V HA -0.238 3.881 4.120 -0.000 0.000 0.245 280 V C 1.989 178.042 176.094 -0.069 0.000 1.043 280 V CA 1.635 63.888 62.300 -0.079 0.000 1.014 280 V CB -0.274 31.469 31.823 -0.134 0.000 0.645 280 V HN 0.405 nan 8.190 nan 0.000 0.447 281 L N -0.407 120.769 121.223 -0.078 0.000 2.141 281 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 281 L C 2.619 179.536 176.870 0.078 0.000 1.094 281 L CA 1.573 56.416 54.840 0.004 0.000 0.763 281 L CB -1.114 40.954 42.059 0.015 0.000 0.908 281 L HN 0.356 nan 8.230 nan 0.000 0.437 282 T N 0.108 114.674 114.554 0.020 0.000 2.684 282 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 282 T C 1.848 176.559 174.700 0.019 0.000 1.036 282 T CA 1.642 63.745 62.100 0.005 0.000 1.148 282 T CB -0.538 68.323 68.868 -0.012 0.000 0.863 282 T HN 0.577 nan 8.240 nan 0.000 0.436 283 G N 0.907 109.718 108.800 0.018 0.000 2.443 283 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.219 283 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.219 283 G C 1.465 176.393 174.900 0.046 0.000 1.131 283 G CA 0.280 45.394 45.100 0.022 0.000 0.775 283 G HN 0.451 nan 8.290 nan 0.000 0.547 284 L N 0.452 121.722 121.223 0.078 0.000 2.201 284 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 284 L C 3.073 180.020 176.870 0.129 0.000 1.105 284 L CA 1.116 56.036 54.840 0.132 0.000 0.775 284 L CB -0.634 41.566 42.059 0.235 0.000 0.913 284 L HN 0.143 nan 8.230 nan 0.000 0.440 285 T N -0.401 114.215 114.554 0.103 0.000 2.674 285 T HA -0.237 4.113 4.350 -0.000 0.000 0.265 285 T C 1.984 176.704 174.700 0.033 0.000 1.039 285 T CA 1.448 63.588 62.100 0.067 0.000 1.150 285 T CB -0.057 68.821 68.868 0.016 0.000 0.864 285 T HN 0.183 nan 8.240 nan 0.000 0.427 286 K N 0.399 120.814 120.400 0.026 0.000 2.217 286 K HA 0.063 4.383 4.320 -0.000 0.000 0.202 286 K C 2.445 179.060 176.600 0.025 0.000 1.051 286 K CA 0.678 56.976 56.287 0.018 0.000 0.952 286 K CB 0.077 32.586 32.500 0.016 0.000 0.736 286 K HN 0.191 nan 8.250 nan 0.000 0.453 287 R N -0.050 120.474 120.500 0.040 0.000 2.148 287 R HA -0.028 4.312 4.340 -0.000 0.000 0.227 287 R C 1.957 178.284 176.300 0.045 0.000 1.103 287 R CA 1.055 57.181 56.100 0.045 0.000 0.983 287 R CB -0.117 30.218 30.300 0.058 0.000 0.874 287 R HN 0.211 nan 8.270 nan 0.000 0.451 288 I N -0.205 120.392 120.570 0.045 0.000 2.296 288 I HA -0.060 4.109 4.170 -0.000 0.000 0.242 288 I C 0.322 176.441 176.117 0.003 0.000 1.087 288 I CA 0.723 62.039 61.300 0.027 0.000 1.393 288 I CB 0.347 38.356 38.000 0.016 0.000 1.093 288 I HN -0.164 nan 8.210 nan 0.000 0.421 289 V N 2.041 121.953 119.914 -0.004 0.000 2.447 289 V HA 0.100 4.220 4.120 -0.000 0.000 0.292 289 V C -0.186 175.905 176.094 -0.005 0.000 1.021 289 V CA -0.599 61.693 62.300 -0.012 0.000 0.850 289 V CB 1.347 33.153 31.823 -0.028 0.000 1.005 289 V HN 0.329 nan 8.190 nan 0.000 0.426 290 D N 2.436 122.836 120.400 -0.000 0.000 2.348 290 D HA -0.132 4.507 4.640 -0.000 0.000 0.216 290 D C 1.511 177.813 176.300 0.003 0.000 0.970 290 D CA 1.316 55.319 54.000 0.005 0.000 0.889 290 D CB 0.011 40.815 40.800 0.007 0.000 0.912 290 D HN 0.606 nan 8.370 nan 0.000 0.524 291 T N -2.191 112.363 114.554 -0.001 0.000 3.081 291 T HA 0.208 4.558 4.350 -0.000 0.000 0.250 291 T C 1.007 175.709 174.700 0.003 0.000 1.100 291 T CA -0.485 61.616 62.100 0.002 0.000 1.038 291 T CB -0.024 68.843 68.868 -0.002 0.000 0.962 291 T HN 0.063 nan 8.240 nan 0.000 0.516 292 L N 3.236 124.456 121.223 -0.006 0.000 2.397 292 L HA 0.395 4.734 4.340 -0.000 0.000 0.271 292 L C 0.714 177.579 176.870 -0.007 0.000 1.148 292 L CA -0.459 54.373 54.840 -0.013 0.000 0.825 292 L CB 1.040 43.078 42.059 -0.035 0.000 1.117 292 L HN 0.358 nan 8.230 nan 0.000 0.456 293 T N 0.373 114.931 114.554 0.007 0.000 2.940 293 T HA 0.854 5.203 4.350 -0.000 0.000 0.288 293 T C -0.505 174.059 174.700 -0.226 0.000 1.033 293 T CA -0.764 61.350 62.100 0.023 0.000 1.033 293 T CB 2.276 71.262 68.868 0.197 0.000 1.079 293 T HN 0.720 nan 8.240 nan 0.000 0.496 294 A N 1.193 123.870 122.820 -0.239 0.000 2.587 294 A HA 0.928 5.248 4.320 -0.000 0.000 0.293 294 A C -0.373 177.106 177.584 -0.175 0.000 1.087 294 A CA -0.660 51.087 52.037 -0.483 0.000 0.692 294 A CB 1.485 20.343 19.000 -0.238 0.000 1.291 294 A HN 1.861 nan 8.150 nan 0.000 0.407 295 S N -0.448 115.157 115.700 -0.158 0.000 2.588 295 S HA 0.855 5.325 4.470 -0.000 0.000 0.269 295 S C -0.437 174.212 174.600 0.081 0.000 1.157 295 S CA -0.148 58.090 58.200 0.065 0.000 0.824 295 S CB 1.137 64.468 63.200 0.219 0.000 1.126 295 S HN 2.339 nan 8.310 nan 0.000 0.464 296 A N 0.704 123.565 122.820 0.069 0.000 2.295 296 A HA 0.830 5.150 4.320 -0.000 0.000 0.318 296 A C -0.268 177.330 177.584 0.022 0.000 1.134 296 A CA -0.894 51.157 52.037 0.023 0.000 0.827 296 A CB 0.510 19.510 19.000 0.001 0.000 1.136 296 A HN 0.941 nan 8.150 nan 0.000 0.493 297 L N 2.112 123.296 121.223 -0.064 0.000 2.999 297 L HA 0.262 4.602 4.340 -0.000 0.000 0.263 297 L C 0.750 177.575 176.870 -0.075 0.000 1.320 297 L CA -0.030 54.742 54.840 -0.112 0.000 0.913 297 L CB -0.229 41.642 42.059 -0.313 0.000 1.296 297 L HN 0.990 nan 8.230 nan 0.000 0.546 298 N N -1.902 116.788 118.700 -0.018 0.000 2.171 298 N HA 0.123 4.862 4.740 -0.000 0.000 0.212 298 N C -0.198 175.341 175.510 0.049 0.000 1.184 298 N CA -0.418 52.642 53.050 0.017 0.000 0.888 298 N CB 1.170 39.671 38.487 0.023 0.000 1.038 298 N HN 0.186 nan 8.380 nan 0.000 0.517 299 E N 1.143 121.371 120.200 0.047 0.000 2.238 299 E HA 0.281 4.631 4.350 -0.000 0.000 0.267 299 E C -1.902 174.750 176.600 0.087 0.000 0.887 299 E CA -1.852 54.588 56.400 0.067 0.000 0.769 299 E CB 2.534 32.265 29.700 0.052 0.000 1.187 299 E HN -0.148 nan 8.360 nan 0.000 0.416 300 P HA -0.244 nan 4.420 nan 0.000 0.215 300 P C 1.483 178.858 177.300 0.126 0.000 1.163 300 P CA 2.088 65.293 63.100 0.176 0.000 0.894 300 P CB 0.204 31.988 31.700 0.141 0.000 0.791 301 S N -0.422 115.327 115.700 0.081 0.000 2.368 301 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 301 S C 2.156 176.793 174.600 0.061 0.000 1.030 301 S CA 1.353 59.590 58.200 0.062 0.000 0.999 301 S CB -1.605 61.622 63.200 0.045 0.000 0.844 301 S HN 0.149 nan 8.310 nan 0.000 0.459 302 A N 1.844 124.700 122.820 0.060 0.000 1.902 302 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 302 A C 2.280 179.897 177.584 0.055 0.000 1.181 302 A CA 2.019 54.092 52.037 0.059 0.000 0.623 302 A CB -0.834 18.199 19.000 0.056 0.000 0.818 302 A HN 0.573 nan 8.150 nan 0.000 0.443 303 M N 0.291 119.925 119.600 0.056 0.000 2.086 303 M HA -0.050 4.429 4.480 -0.000 0.000 0.261 303 M C 2.158 178.500 176.300 0.071 0.000 1.067 303 M CA 1.893 57.228 55.300 0.059 0.000 1.116 303 M CB -0.624 32.000 32.600 0.040 0.000 1.348 303 M HN 0.368 nan 8.290 nan 0.000 0.407 304 A N -0.113 122.753 122.820 0.077 0.000 1.883 304 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 304 A C 2.399 180.004 177.584 0.035 0.000 1.186 304 A CA 2.346 54.416 52.037 0.055 0.000 0.624 304 A CB -1.581 17.456 19.000 0.061 0.000 0.822 304 A HN 0.682 nan 8.150 nan 0.000 0.444 305 A N -0.448 122.399 122.820 0.046 0.000 1.972 305 A HA 0.178 4.497 4.320 -0.000 0.000 0.219 305 A C 2.447 180.062 177.584 0.052 0.000 1.169 305 A CA 2.056 54.118 52.037 0.043 0.000 0.635 305 A CB -0.851 18.179 19.000 0.050 0.000 0.810 305 A HN 1.052 nan 8.150 nan 0.000 0.446 306 A N -0.416 122.447 122.820 0.071 0.000 1.929 306 A HA 0.093 4.412 4.320 -0.000 0.000 0.216 306 A C 2.035 179.677 177.584 0.096 0.000 1.176 306 A CA 1.227 53.321 52.037 0.094 0.000 0.628 306 A CB -0.496 18.496 19.000 -0.014 0.000 0.816 306 A HN 0.445 nan 8.150 nan 0.000 0.444 307 L N -0.514 120.709 121.223 -0.000 0.000 2.362 307 L HA -0.121 4.219 4.340 -0.000 0.000 0.219 307 L C 2.258 179.063 176.870 -0.109 0.000 1.134 307 L CA 0.937 55.655 54.840 -0.203 0.000 0.807 307 L CB -0.349 41.550 42.059 -0.267 0.000 0.927 307 L HN 0.455 nan 8.230 nan 0.000 0.447 308 E N -0.244 119.935 120.200 -0.036 0.000 2.216 308 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 308 E C 0.986 177.585 176.600 -0.001 0.000 0.988 308 E CA 0.021 56.410 56.400 -0.019 0.000 0.834 308 E CB 0.217 29.916 29.700 -0.002 0.000 0.772 308 E HN 0.378 nan 8.360 nan 0.000 0.479 309 L N 0.000 121.236 121.223 0.021 0.000 2.949 309 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 309 L CA 0.000 54.867 54.840 0.045 0.000 0.813 309 L CB 0.000 42.105 42.059 0.077 0.000 0.961 309 L HN 0.000 nan 8.230 nan 0.000 0.502