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 1ro6_1_B DATA FIRST_RESID 152 DATA SEQUENCE SISRFGVNTE NEDHLAKELE DLNKWGLNIF NVAGYSHNRP LTCIMYAIFQ DATA SEQUENCE ERDLLKTFRI SSDTFITYMM TLEDHYHSDV AYHNSLHAAD VAQSTHVLLS DATA SEQUENCE TPALDAVFTD LEILAAIFAA AIHDVDHPGV SNQFLINTNS ELALMYNDES DATA SEQUENCE VLENHHLAVG FKLLQEEHCD IFMNLTKKQR QTLRKMVIDM VLATDMSKHM DATA SEQUENCE SLLADLKTMV ETKKVTSSGV LLLDNYTDRI QVLRNMVHCA DLSNPTKSLE DATA SEQUENCE LYRQWTDRIM EEFFQQGDKE RERGMEISPM CDKHTASVEK SQVGFIDYIV DATA SEQUENCE HPLWETWADL VQPDAQDILD TLEDNRNWYQ SMIPQAPAPP LDEQ 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 152 S HA 0.000 nan 4.470 nan 0.000 0.327 152 S C 0.000 174.630 174.600 0.050 0.000 1.055 152 S CA 0.000 58.223 58.200 0.038 0.000 1.107 152 S CB 0.000 63.213 63.200 0.021 0.000 0.593 153 I N 3.418 124.084 120.570 0.159 0.000 2.700 153 I HA -0.093 4.077 4.170 -0.000 0.000 0.261 153 I C 2.592 178.837 176.117 0.214 0.000 1.219 153 I CA 1.877 63.343 61.300 0.278 0.000 1.463 153 I CB -1.921 36.209 38.000 0.217 0.000 1.092 153 I HN 0.807 nan 8.210 nan 0.000 0.452 154 S N 1.165 116.921 115.700 0.093 0.000 2.400 154 S HA -0.178 4.292 4.470 -0.000 0.000 0.232 154 S C 2.037 176.638 174.600 0.002 0.000 1.025 154 S CA 0.598 58.829 58.200 0.051 0.000 0.993 154 S CB -0.307 62.905 63.200 0.019 0.000 0.808 154 S HN 0.337 nan 8.310 nan 0.000 0.478 155 R N 0.771 121.214 120.500 -0.096 0.000 2.105 155 R HA 0.020 4.360 4.340 -0.000 0.000 0.239 155 R C 1.836 177.974 176.300 -0.270 0.000 1.135 155 R CA 1.317 57.264 56.100 -0.254 0.000 0.967 155 R CB -1.239 28.779 30.300 -0.470 0.000 0.861 155 R HN 0.578 nan 8.270 nan 0.000 0.442 156 F N 0.351 120.291 119.950 -0.017 0.000 2.325 156 F HA 0.111 4.638 4.527 -0.000 0.000 0.299 156 F C 1.527 177.380 175.800 0.088 0.000 1.090 156 F CA 0.874 58.892 58.000 0.030 0.000 1.392 156 F CB -0.642 38.379 39.000 0.035 0.000 1.053 156 F HN 0.220 nan 8.300 nan 0.000 0.521 157 G N 1.661 110.594 108.800 0.223 0.000 2.372 157 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.290 157 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.290 157 G C -0.404 174.668 174.900 0.286 0.000 0.965 157 G CA 0.394 45.599 45.100 0.175 0.000 1.263 157 G HN 0.358 nan 8.290 nan 0.000 0.498 158 V N 1.141 121.197 119.914 0.238 0.000 2.513 158 V HA 0.594 4.714 4.120 -0.000 0.000 0.299 158 V C 0.777 176.935 176.094 0.106 0.000 1.035 158 V CA -1.223 61.185 62.300 0.180 0.000 0.889 158 V CB 1.243 33.118 31.823 0.087 0.000 0.988 158 V HN 0.570 nan 8.190 nan 0.000 0.440 159 N N 3.285 122.039 118.700 0.089 0.000 2.267 159 N HA 0.092 4.832 4.740 -0.000 0.000 0.226 159 N C 1.158 176.661 175.510 -0.012 0.000 1.314 159 N CA 0.747 53.821 53.050 0.040 0.000 0.887 159 N CB 0.273 38.778 38.487 0.030 0.000 1.120 159 N HN 0.738 nan 8.380 nan 0.000 0.440 160 T N -0.608 113.930 114.554 -0.027 0.000 2.942 160 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 160 T C 1.481 176.113 174.700 -0.113 0.000 1.062 160 T CA 0.669 62.737 62.100 -0.053 0.000 1.139 160 T CB -0.108 68.738 68.868 -0.038 0.000 0.883 160 T HN 0.473 nan 8.240 nan 0.000 0.468 161 E N 1.797 121.918 120.200 -0.130 0.000 2.047 161 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 161 E C 1.945 178.309 176.600 -0.393 0.000 0.987 161 E CA 0.933 57.193 56.400 -0.234 0.000 0.799 161 E CB -0.199 29.400 29.700 -0.169 0.000 0.752 161 E HN 0.369 nan 8.360 nan 0.000 0.449 162 N N 1.060 119.608 118.700 -0.253 0.000 2.188 162 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 162 N C 1.842 177.192 175.510 -0.267 0.000 1.018 162 N CA 0.986 53.884 53.050 -0.253 0.000 0.858 162 N CB -0.341 38.109 38.487 -0.061 0.000 0.989 162 N HN 0.381 nan 8.380 nan 0.000 0.426 163 E N 1.067 121.167 120.200 -0.167 0.000 2.097 163 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 163 E C 0.963 177.474 176.600 -0.149 0.000 1.000 163 E CA 1.322 57.649 56.400 -0.121 0.000 0.804 163 E CB 0.117 29.774 29.700 -0.072 0.000 0.740 163 E HN 0.255 nan 8.360 nan 0.000 0.454 164 D N -0.456 119.825 120.400 -0.199 0.000 2.092 164 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 164 D C 1.873 178.094 176.300 -0.131 0.000 0.994 164 D CA 1.369 55.273 54.000 -0.161 0.000 0.828 164 D CB -0.503 40.185 40.800 -0.187 0.000 0.963 164 D HN 0.510 nan 8.370 nan 0.000 0.450 165 H N 0.400 119.254 119.070 -0.359 0.000 2.353 165 H HA -0.043 4.513 4.556 -0.000 0.000 0.300 165 H C 2.454 177.514 175.328 -0.447 0.000 1.090 165 H CA 0.175 55.879 56.048 -0.573 0.000 1.327 165 H CB 0.074 29.041 29.762 -1.325 0.000 1.383 165 H HN 0.043 nan 8.280 nan 0.000 0.508 166 L N 0.380 121.463 121.223 -0.234 0.000 1.989 166 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 166 L C 2.772 179.624 176.870 -0.029 0.000 1.071 166 L CA 1.086 55.895 54.840 -0.052 0.000 0.749 166 L CB -0.395 41.639 42.059 -0.042 0.000 0.890 166 L HN 0.324 nan 8.230 nan 0.000 0.431 167 A N -0.496 122.295 122.820 -0.049 0.000 1.940 167 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 167 A C 2.328 179.904 177.584 -0.014 0.000 1.176 167 A CA 2.036 54.055 52.037 -0.029 0.000 0.631 167 A CB -0.514 18.467 19.000 -0.033 0.000 0.814 167 A HN 0.412 nan 8.150 nan 0.000 0.446 168 K N -0.483 119.906 120.400 -0.018 0.000 1.991 168 K HA -0.216 4.104 4.320 -0.000 0.000 0.212 168 K C 1.956 178.563 176.600 0.013 0.000 1.049 168 K CA 1.713 57.998 56.287 -0.004 0.000 0.932 168 K CB -0.188 32.306 32.500 -0.011 0.000 0.717 168 K HN 0.403 nan 8.250 nan 0.000 0.441 169 E N 0.950 121.167 120.200 0.030 0.000 2.070 169 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 169 E C 2.060 178.685 176.600 0.042 0.000 1.004 169 E CA 1.145 57.580 56.400 0.059 0.000 0.805 169 E CB -0.364 29.409 29.700 0.121 0.000 0.744 169 E HN 0.410 nan 8.360 nan 0.000 0.451 170 L N 1.106 122.347 121.223 0.029 0.000 2.549 170 L HA -0.136 4.204 4.340 -0.000 0.000 0.230 170 L C 2.049 178.936 176.870 0.028 0.000 1.162 170 L CA 0.614 55.467 54.840 0.023 0.000 0.834 170 L CB -0.387 41.674 42.059 0.002 0.000 0.947 170 L HN 0.126 nan 8.230 nan 0.000 0.452 171 E N -0.018 120.199 120.200 0.027 0.000 2.204 171 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 171 E C 0.740 177.366 176.600 0.044 0.000 0.989 171 E CA 0.787 57.205 56.400 0.030 0.000 0.824 171 E CB 0.056 29.770 29.700 0.022 0.000 0.756 171 E HN 0.525 nan 8.360 nan 0.000 0.477 172 D N 0.620 121.049 120.400 0.048 0.000 2.336 172 D HA -0.017 4.623 4.640 -0.000 0.000 0.228 172 D C 1.608 177.957 176.300 0.081 0.000 1.120 172 D CA -0.016 54.020 54.000 0.061 0.000 0.839 172 D CB 0.361 41.193 40.800 0.053 0.000 0.932 172 D HN 0.085 nan 8.370 nan 0.000 0.509 173 L N 1.393 122.669 121.223 0.089 0.000 2.051 173 L HA -0.179 4.161 4.340 -0.000 0.000 0.214 173 L C 1.203 178.209 176.870 0.226 0.000 1.076 173 L CA 1.693 56.615 54.840 0.136 0.000 0.758 173 L CB -0.303 41.825 42.059 0.116 0.000 0.890 173 L HN -0.021 nan 8.230 nan 0.000 0.433 174 N N -0.403 118.400 118.700 0.172 0.000 2.314 174 N HA 0.048 4.787 4.740 -0.000 0.000 0.200 174 N C -0.307 175.256 175.510 0.088 0.000 1.135 174 N CA 0.193 53.303 53.050 0.100 0.000 0.835 174 N CB 0.275 38.803 38.487 0.070 0.000 0.989 174 N HN 0.470 nan 8.380 nan 0.000 0.478 175 K N -0.273 120.198 120.400 0.119 0.000 2.164 175 K HA 0.135 4.455 4.320 -0.000 0.000 0.258 175 K C 0.331 177.049 176.600 0.197 0.000 0.951 175 K CA -0.782 55.592 56.287 0.145 0.000 0.844 175 K CB 1.949 34.515 32.500 0.110 0.000 1.099 175 K HN 0.057 nan 8.250 nan 0.000 0.435 176 W N 2.505 123.816 121.300 0.018 0.000 2.425 176 W HA -0.075 4.585 4.660 -0.000 0.000 0.277 176 W C 0.864 177.397 176.519 0.024 0.000 1.231 176 W CA 1.586 58.940 57.345 0.015 0.000 1.248 176 W CB 0.339 29.794 29.460 -0.008 0.000 1.117 176 W HN 0.866 nan 8.180 nan 0.000 0.568 177 G N 1.038 109.936 108.800 0.165 0.000 3.026 177 G HA2 0.018 3.978 3.960 -0.000 0.000 0.208 177 G HA3 0.018 3.978 3.960 -0.000 0.000 0.208 177 G C 0.354 175.275 174.900 0.035 0.000 1.169 177 G CA -0.488 44.660 45.100 0.080 0.000 0.788 177 G HN 0.125 nan 8.290 nan 0.000 0.533 178 L N 0.546 121.780 121.223 0.018 0.000 2.485 178 L HA 0.200 4.540 4.340 -0.000 0.000 0.275 178 L C -0.232 176.641 176.870 0.005 0.000 1.207 178 L CA -0.440 54.410 54.840 0.016 0.000 0.855 178 L CB 0.698 42.767 42.059 0.017 0.000 1.114 178 L HN -0.000 nan 8.230 nan 0.000 0.485 179 N N 4.490 123.204 118.700 0.024 0.000 2.546 179 N HA 0.072 4.812 4.740 -0.000 0.000 0.238 179 N C 0.530 176.039 175.510 -0.002 0.000 0.984 179 N CA -0.312 52.764 53.050 0.043 0.000 0.935 179 N CB 1.170 39.695 38.487 0.064 0.000 1.122 179 N HN 0.761 nan 8.380 nan 0.000 0.510 180 I N 3.807 124.320 120.570 -0.096 0.000 2.676 180 I HA -0.022 4.148 4.170 -0.000 0.000 0.259 180 I C 1.064 177.016 176.117 -0.275 0.000 1.194 180 I CA 0.946 62.130 61.300 -0.194 0.000 1.473 180 I CB -0.170 37.687 38.000 -0.239 0.000 1.096 180 I HN 0.422 nan 8.210 nan 0.000 0.443 181 F N 0.577 120.436 119.950 -0.150 0.000 2.146 181 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 181 F C 2.361 178.033 175.800 -0.213 0.000 1.096 181 F CA 1.307 59.180 58.000 -0.212 0.000 1.275 181 F CB -1.026 37.807 39.000 -0.278 0.000 1.008 181 F HN 0.139 nan 8.300 nan 0.000 0.480 182 N N 0.432 119.125 118.700 -0.013 0.000 2.106 182 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 182 N C 2.170 177.570 175.510 -0.183 0.000 1.029 182 N CA 1.367 54.315 53.050 -0.170 0.000 0.848 182 N CB -0.867 37.614 38.487 -0.011 0.000 1.007 182 N HN 0.091 nan 8.380 nan 0.000 0.423 183 V N 1.918 121.817 119.914 -0.025 0.000 2.324 183 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 183 V C 2.458 178.533 176.094 -0.031 0.000 1.060 183 V CA 1.957 64.271 62.300 0.024 0.000 1.042 183 V CB -1.029 30.793 31.823 -0.002 0.000 0.650 183 V HN 0.317 nan 8.190 nan 0.000 0.450 184 A N 0.473 123.240 122.820 -0.089 0.000 1.898 184 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 184 A C 2.409 179.927 177.584 -0.110 0.000 1.181 184 A CA 1.761 53.749 52.037 -0.080 0.000 0.620 184 A CB -1.180 17.765 19.000 -0.091 0.000 0.819 184 A HN 0.546 nan 8.150 nan 0.000 0.442 185 G N -2.312 106.354 108.800 -0.223 0.000 2.498 185 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.219 185 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.219 185 G C 1.064 175.768 174.900 -0.327 0.000 1.119 185 G CA 0.994 45.903 45.100 -0.319 0.000 0.766 185 G HN 0.554 nan 8.290 nan 0.000 0.552 186 Y N 0.393 120.656 120.300 -0.062 0.000 2.458 186 Y HA 0.240 4.790 4.550 -0.000 0.000 0.256 186 Y C 1.831 177.642 175.900 -0.150 0.000 1.159 186 Y CA -0.410 57.635 58.100 -0.092 0.000 1.261 186 Y CB 0.374 38.819 38.460 -0.025 0.000 1.119 186 Y HN 0.213 nan 8.280 nan 0.000 0.524 187 S N -1.698 113.997 115.700 -0.009 0.000 2.843 187 S HA 0.172 4.642 4.470 -0.000 0.000 0.249 187 S C -0.492 174.160 174.600 0.087 0.000 1.047 187 S CA -0.386 57.827 58.200 0.022 0.000 1.042 187 S CB -0.701 62.533 63.200 0.058 0.000 0.936 187 S HN 0.389 nan 8.310 nan 0.000 0.531 188 H N 1.887 121.006 119.070 0.082 0.000 2.677 188 H HA -0.161 4.395 4.556 -0.000 0.000 0.321 188 H C 0.543 175.894 175.328 0.038 0.000 1.171 188 H CA 1.017 57.099 56.048 0.056 0.000 1.139 188 H CB -1.989 27.811 29.762 0.063 0.000 1.515 188 H HN 0.800 nan 8.280 nan 0.000 0.423 189 N N 0.109 118.861 118.700 0.086 0.000 2.714 189 N HA -0.212 4.528 4.740 -0.000 0.000 0.252 189 N C -0.441 175.100 175.510 0.051 0.000 1.014 189 N CA 0.871 53.947 53.050 0.045 0.000 0.735 189 N CB -0.137 38.374 38.487 0.039 0.000 0.924 189 N HN 0.380 nan 8.380 nan 0.000 0.540 190 R N -0.154 120.391 120.500 0.075 0.000 2.881 190 R HA 0.249 4.589 4.340 -0.000 0.000 0.331 190 R C -1.735 174.611 176.300 0.076 0.000 1.207 190 R CA -1.183 54.969 56.100 0.087 0.000 1.265 190 R CB 0.604 31.004 30.300 0.167 0.000 1.351 190 R HN 0.356 nan 8.270 nan 0.000 0.613 191 P HA -0.172 nan 4.420 nan 0.000 0.217 191 P C 1.350 178.639 177.300 -0.019 0.000 1.150 191 P CA 0.639 63.725 63.100 -0.023 0.000 0.832 191 P CB 0.468 32.119 31.700 -0.083 0.000 0.787 192 L N 0.192 121.384 121.223 -0.053 0.000 2.017 192 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 192 L C 2.305 179.191 176.870 0.025 0.000 1.073 192 L CA 2.329 57.131 54.840 -0.062 0.000 0.745 192 L CB -1.744 40.225 42.059 -0.149 0.000 0.894 192 L HN -0.085 nan 8.230 nan 0.000 0.432 193 T N -1.286 113.307 114.554 0.064 0.000 2.737 193 T HA -0.240 4.110 4.350 -0.000 0.000 0.265 193 T C 2.045 176.961 174.700 0.359 0.000 1.038 193 T CA 1.504 63.696 62.100 0.153 0.000 1.144 193 T CB -0.917 68.024 68.868 0.121 0.000 0.866 193 T HN 0.624 nan 8.240 nan 0.000 0.434 194 C N 1.060 120.558 119.300 0.330 0.000 2.413 194 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 194 C C 2.544 177.602 174.990 0.113 0.000 1.228 194 C CA 0.594 59.672 59.018 0.101 0.000 1.731 194 C CB -1.339 26.372 27.740 -0.048 0.000 2.042 194 C HN 0.518 nan 8.230 nan 0.000 0.468 195 I N 0.611 121.232 120.570 0.085 0.000 2.286 195 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 195 I C 2.359 178.551 176.117 0.125 0.000 1.115 195 I CA 1.716 63.055 61.300 0.065 0.000 1.392 195 I CB -0.384 37.627 38.000 0.019 0.000 1.065 195 I HN 0.316 nan 8.210 nan 0.000 0.418 196 M N -1.350 118.370 119.600 0.200 0.000 2.156 196 M HA -0.207 4.273 4.480 -0.000 0.000 0.264 196 M C 2.333 178.901 176.300 0.446 0.000 1.067 196 M CA 1.587 57.072 55.300 0.308 0.000 1.131 196 M CB -1.308 31.449 32.600 0.261 0.000 1.368 196 M HN 0.307 nan 8.290 nan 0.000 0.416 197 Y N 1.323 121.854 120.300 0.386 0.000 2.181 197 Y HA -0.156 4.394 4.550 -0.000 0.000 0.288 197 Y C 2.389 178.382 175.900 0.155 0.000 1.146 197 Y CA 1.749 60.069 58.100 0.366 0.000 1.164 197 Y CB -0.593 38.144 38.460 0.462 0.000 0.982 197 Y HN 0.199 nan 8.280 nan 0.000 0.515 198 A N 0.290 123.159 122.820 0.081 0.000 1.902 198 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 198 A C 2.359 179.891 177.584 -0.087 0.000 1.181 198 A CA 1.964 53.956 52.037 -0.074 0.000 0.623 198 A CB -1.122 17.862 19.000 -0.026 0.000 0.818 198 A HN 0.544 nan 8.150 nan 0.000 0.443 199 I N -1.958 118.591 120.570 -0.035 0.000 2.226 199 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 199 I C 2.167 178.271 176.117 -0.022 0.000 1.100 199 I CA 1.208 62.411 61.300 -0.161 0.000 1.374 199 I CB -0.343 37.576 38.000 -0.136 0.000 1.057 199 I HN 0.260 nan 8.210 nan 0.000 0.413 200 F N 0.950 120.792 119.950 -0.180 0.000 2.234 200 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 200 F C 2.683 178.340 175.800 -0.237 0.000 1.087 200 F CA 1.096 58.962 58.000 -0.225 0.000 1.340 200 F CB -0.518 38.197 39.000 -0.475 0.000 1.031 200 F HN 0.087 nan 8.300 nan 0.000 0.500 201 Q N 0.003 119.720 119.800 -0.139 0.000 2.016 201 Q HA -0.213 4.127 4.340 -0.000 0.000 0.200 201 Q C 2.212 178.146 176.000 -0.110 0.000 0.978 201 Q CA 1.541 57.231 55.803 -0.189 0.000 0.833 201 Q CB -0.715 27.840 28.738 -0.304 0.000 0.895 201 Q HN 0.352 nan 8.270 nan 0.000 0.427 202 E N 1.287 121.433 120.200 -0.091 0.000 2.086 202 E HA -0.198 4.152 4.350 -0.000 0.000 0.200 202 E C 1.498 178.090 176.600 -0.013 0.000 1.012 202 E CA 1.581 57.962 56.400 -0.033 0.000 0.812 202 E CB -0.021 29.675 29.700 -0.007 0.000 0.743 202 E HN 0.189 nan 8.360 nan 0.000 0.453 203 R N -0.320 120.154 120.500 -0.043 0.000 2.317 203 R HA 0.083 4.423 4.340 -0.000 0.000 0.208 203 R C 0.144 176.399 176.300 -0.075 0.000 0.914 203 R CA 0.639 56.715 56.100 -0.041 0.000 1.060 203 R CB 0.095 30.360 30.300 -0.058 0.000 1.015 203 R HN 0.167 nan 8.270 nan 0.000 0.498 204 D N 0.024 120.374 120.400 -0.083 0.000 2.837 204 D HA -0.190 4.450 4.640 -0.000 0.000 0.230 204 D C 0.464 176.710 176.300 -0.090 0.000 1.152 204 D CA 0.400 54.354 54.000 -0.077 0.000 0.736 204 D CB -0.859 39.904 40.800 -0.062 0.000 1.084 204 D HN 0.245 nan 8.370 nan 0.000 0.429 205 L N -0.466 120.676 121.223 -0.135 0.000 2.201 205 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 205 L C 2.457 179.378 176.870 0.085 0.000 1.105 205 L CA 0.662 55.445 54.840 -0.096 0.000 0.775 205 L CB -0.269 41.479 42.059 -0.519 0.000 0.913 205 L HN 0.336 nan 8.230 nan 0.000 0.440 206 L N -0.497 120.769 121.223 0.071 0.000 2.046 206 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 206 L C 2.644 179.563 176.870 0.082 0.000 1.077 206 L CA 1.471 56.383 54.840 0.120 0.000 0.747 206 L CB -0.509 41.582 42.059 0.053 0.000 0.896 206 L HN 0.232 nan 8.230 nan 0.000 0.432 207 K N -0.478 119.929 120.400 0.012 0.000 2.001 207 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 207 K C 2.107 178.662 176.600 -0.075 0.000 1.048 207 K CA 1.777 58.053 56.287 -0.019 0.000 0.932 207 K CB -0.280 32.196 32.500 -0.039 0.000 0.715 207 K HN 0.239 nan 8.250 nan 0.000 0.437 208 T N 0.770 115.224 114.554 -0.167 0.000 2.699 208 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 208 T C 1.076 175.445 174.700 -0.551 0.000 1.036 208 T CA 1.438 63.291 62.100 -0.412 0.000 1.147 208 T CB -0.171 68.321 68.868 -0.627 0.000 0.862 208 T HN 0.094 nan 8.240 nan 0.000 0.446 209 F N 0.545 120.513 119.950 0.030 0.000 2.647 209 F HA 0.438 4.965 4.527 -0.000 0.000 0.300 209 F C 0.791 176.634 175.800 0.072 0.000 1.106 209 F CA -0.847 57.190 58.000 0.061 0.000 1.313 209 F CB -0.263 38.797 39.000 0.100 0.000 1.007 209 F HN -0.129 nan 8.300 nan 0.000 0.536 210 R N 0.801 121.388 120.500 0.144 0.000 3.322 210 R HA -0.201 4.139 4.340 -0.000 0.000 0.253 210 R C -0.677 175.707 176.300 0.140 0.000 0.987 210 R CA 0.388 56.556 56.100 0.114 0.000 0.666 210 R CB -2.374 27.981 30.300 0.092 0.000 1.072 210 R HN 0.330 nan 8.270 nan 0.000 0.447 211 I N 1.218 121.890 120.570 0.170 0.000 2.304 211 I HA 0.097 4.267 4.170 -0.000 0.000 0.291 211 I C 1.123 177.325 176.117 0.141 0.000 1.018 211 I CA -0.419 60.982 61.300 0.168 0.000 1.260 211 I CB 1.583 39.721 38.000 0.231 0.000 1.390 211 I HN 0.171 nan 8.210 nan 0.000 0.475 212 S N 3.498 119.268 115.700 0.116 0.000 2.585 212 S HA 0.158 4.628 4.470 -0.000 0.000 0.273 212 S C 1.080 175.770 174.600 0.151 0.000 1.339 212 S CA -0.670 57.591 58.200 0.102 0.000 1.028 212 S CB 1.500 64.733 63.200 0.055 0.000 0.906 212 S HN 0.621 nan 8.310 nan 0.000 0.528 213 S N 1.496 117.291 115.700 0.158 0.000 2.382 213 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 213 S C 1.352 176.032 174.600 0.134 0.000 1.027 213 S CA 1.365 59.698 58.200 0.221 0.000 0.991 213 S CB -0.525 62.812 63.200 0.229 0.000 0.823 213 S HN 0.802 nan 8.310 nan 0.000 0.469 214 D N 1.218 121.652 120.400 0.057 0.000 2.097 214 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 214 D C 2.050 178.353 176.300 0.006 0.000 0.984 214 D CA 1.312 55.306 54.000 -0.009 0.000 0.826 214 D CB -0.710 40.054 40.800 -0.059 0.000 0.973 214 D HN 0.320 nan 8.370 nan 0.000 0.460 215 T N 0.998 115.575 114.554 0.038 0.000 2.674 215 T HA -0.159 4.191 4.350 -0.000 0.000 0.265 215 T C 1.740 176.495 174.700 0.092 0.000 1.039 215 T CA 0.766 62.901 62.100 0.059 0.000 1.150 215 T CB -0.586 68.319 68.868 0.062 0.000 0.864 215 T HN 0.073 nan 8.240 nan 0.000 0.427 216 F N 1.694 121.641 119.950 -0.004 0.000 2.043 216 F HA -0.115 4.412 4.527 -0.000 0.000 0.297 216 F C 2.083 177.873 175.800 -0.016 0.000 1.121 216 F CA 1.177 59.171 58.000 -0.010 0.000 1.199 216 F CB -0.532 38.479 39.000 0.018 0.000 0.968 216 F HN 0.083 nan 8.300 nan 0.000 0.478 217 I N -0.602 119.955 120.570 -0.022 0.000 2.226 217 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 217 I C 2.223 178.194 176.117 -0.244 0.000 1.100 217 I CA 1.781 62.943 61.300 -0.230 0.000 1.374 217 I CB -0.895 36.932 38.000 -0.289 0.000 1.057 217 I HN 0.188 nan 8.210 nan 0.000 0.413 218 T N -0.079 114.395 114.554 -0.134 0.000 2.746 218 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 218 T C 1.757 176.392 174.700 -0.109 0.000 1.039 218 T CA 1.579 63.622 62.100 -0.095 0.000 1.142 218 T CB -0.434 68.433 68.868 -0.000 0.000 0.866 218 T HN 0.366 nan 8.240 nan 0.000 0.444 219 Y N 1.520 121.697 120.300 -0.205 0.000 2.114 219 Y HA -0.131 4.419 4.550 -0.000 0.000 0.284 219 Y C 2.284 178.028 175.900 -0.260 0.000 1.143 219 Y CA 1.263 59.232 58.100 -0.218 0.000 1.135 219 Y CB -0.347 37.958 38.460 -0.260 0.000 0.980 219 Y HN 0.008 nan 8.280 nan 0.000 0.499 220 M N -0.459 118.875 119.600 -0.444 0.000 2.108 220 M HA -0.254 4.226 4.480 -0.000 0.000 0.261 220 M C 2.056 178.151 176.300 -0.341 0.000 1.066 220 M CA 1.564 56.581 55.300 -0.471 0.000 1.107 220 M CB -1.056 31.220 32.600 -0.541 0.000 1.356 220 M HN 0.399 nan 8.290 nan 0.000 0.406 221 M N -0.717 118.710 119.600 -0.287 0.000 2.159 221 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 221 M C 2.060 178.263 176.300 -0.162 0.000 1.063 221 M CA 1.466 56.645 55.300 -0.202 0.000 1.110 221 M CB -1.598 30.880 32.600 -0.204 0.000 1.374 221 M HN 0.269 nan 8.290 nan 0.000 0.411 222 T N 1.303 115.730 114.554 -0.211 0.000 2.737 222 T HA -0.098 4.252 4.350 -0.000 0.000 0.265 222 T C 1.844 176.472 174.700 -0.121 0.000 1.038 222 T CA 0.993 63.010 62.100 -0.138 0.000 1.144 222 T CB -0.330 68.429 68.868 -0.181 0.000 0.866 222 T HN 0.237 nan 8.240 nan 0.000 0.434 223 L N 1.507 122.497 121.223 -0.389 0.000 1.989 223 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 223 L C 2.465 179.332 176.870 -0.004 0.000 1.071 223 L CA 2.062 56.703 54.840 -0.332 0.000 0.749 223 L CB -0.660 41.080 42.059 -0.531 0.000 0.890 223 L HN 0.263 nan 8.230 nan 0.000 0.431 224 E N -0.895 119.304 120.200 -0.001 0.000 2.118 224 E HA -0.279 4.071 4.350 -0.000 0.000 0.195 224 E C 1.742 178.426 176.600 0.139 0.000 0.992 224 E CA 1.556 58.027 56.400 0.118 0.000 0.804 224 E CB -0.142 29.554 29.700 -0.006 0.000 0.741 224 E HN 0.541 nan 8.360 nan 0.000 0.458 225 D N -0.773 119.659 120.400 0.054 0.000 2.310 225 D HA -0.111 4.529 4.640 -0.000 0.000 0.212 225 D C 0.879 177.141 176.300 -0.063 0.000 0.965 225 D CA 0.824 54.821 54.000 -0.005 0.000 0.879 225 D CB -0.034 40.733 40.800 -0.056 0.000 0.921 225 D HN 0.356 nan 8.370 nan 0.000 0.510 226 H N -1.755 117.291 119.070 -0.039 0.000 2.539 226 H HA 0.120 4.676 4.556 -0.000 0.000 0.267 226 H C -0.374 174.932 175.328 -0.037 0.000 0.982 226 H CA 0.049 56.054 56.048 -0.071 0.000 1.146 226 H CB -0.056 29.622 29.762 -0.139 0.000 1.382 226 H HN 0.098 nan 8.280 nan 0.000 0.577 227 Y N 0.323 120.699 120.300 0.127 0.000 2.310 227 Y HA 0.173 4.723 4.550 -0.000 0.000 0.326 227 Y C 0.109 176.141 175.900 0.220 0.000 1.151 227 Y CA -0.880 57.327 58.100 0.178 0.000 1.195 227 Y CB 0.588 39.084 38.460 0.061 0.000 1.210 227 Y HN 0.194 nan 8.280 nan 0.000 0.483 228 H N 0.869 120.045 119.070 0.177 0.000 2.934 228 H HA 0.093 4.649 4.556 -0.000 0.000 0.273 228 H C 1.129 176.523 175.328 0.110 0.000 1.121 228 H CA -0.351 55.765 56.048 0.113 0.000 1.451 228 H CB 0.846 30.675 29.762 0.112 0.000 1.469 228 H HN 0.666 nan 8.280 nan 0.000 0.476 229 S N 1.423 117.217 115.700 0.158 0.000 2.447 229 S HA -0.167 4.303 4.470 -0.000 0.000 0.233 229 S C 1.262 175.922 174.600 0.101 0.000 1.006 229 S CA 0.938 59.201 58.200 0.106 0.000 0.957 229 S CB 0.062 63.296 63.200 0.056 0.000 0.773 229 S HN 0.721 nan 8.310 nan 0.000 0.507 230 D N 1.021 121.490 120.400 0.116 0.000 2.328 230 D HA 0.071 4.711 4.640 -0.000 0.000 0.226 230 D C 0.025 176.399 176.300 0.123 0.000 1.066 230 D CA -0.132 53.928 54.000 0.101 0.000 0.861 230 D CB -0.155 40.694 40.800 0.081 0.000 0.912 230 D HN 0.307 nan 8.370 nan 0.000 0.521 231 V N 1.489 121.497 119.914 0.157 0.000 2.364 231 V HA 0.374 4.494 4.120 -0.000 0.000 0.272 231 V C 1.563 177.732 176.094 0.124 0.000 1.036 231 V CA -0.266 62.122 62.300 0.146 0.000 0.880 231 V CB 0.977 32.901 31.823 0.168 0.000 0.991 231 V HN 0.199 nan 8.190 nan 0.000 0.460 232 A N 4.395 127.284 122.820 0.116 0.000 1.917 232 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 232 A C 1.808 179.475 177.584 0.138 0.000 1.182 232 A CA 2.238 54.343 52.037 0.114 0.000 0.633 232 A CB -0.378 18.686 19.000 0.106 0.000 0.819 232 A HN 0.926 nan 8.150 nan 0.000 0.448 233 Y N -1.210 119.073 120.300 -0.029 0.000 2.447 233 Y HA 0.198 4.748 4.550 -0.000 0.000 0.286 233 Y C 0.880 176.619 175.900 -0.269 0.000 1.153 233 Y CA 0.550 58.561 58.100 -0.148 0.000 1.241 233 Y CB 0.187 38.443 38.460 -0.340 0.000 1.284 233 Y HN 0.370 nan 8.280 nan 0.000 0.520 234 H N 2.081 121.125 119.070 -0.044 0.000 3.268 234 H HA 0.173 4.729 4.556 -0.000 0.000 0.213 234 H C -0.759 174.583 175.328 0.023 0.000 1.858 234 H CA -0.102 55.844 56.048 -0.170 0.000 1.386 234 H CB -1.038 28.381 29.762 -0.571 0.000 1.734 234 H HN 0.403 nan 8.280 nan 0.000 0.612 235 N N -1.727 117.013 118.700 0.068 0.000 2.906 235 N HA 0.113 4.853 4.740 -0.000 0.000 0.327 235 N C 1.116 176.506 175.510 -0.200 0.000 1.344 235 N CA -0.388 52.729 53.050 0.112 0.000 0.823 235 N CB 0.424 38.953 38.487 0.071 0.000 1.351 235 N HN 0.068 nan 8.380 nan 0.000 0.604 236 S N -0.888 114.632 115.700 -0.299 0.000 2.419 236 S HA -0.163 4.307 4.470 -0.000 0.000 0.233 236 S C 1.601 175.961 174.600 -0.401 0.000 1.016 236 S CA 0.682 58.508 58.200 -0.624 0.000 0.974 236 S CB -0.595 62.419 63.200 -0.310 0.000 0.786 236 S HN 0.477 nan 8.310 nan 0.000 0.492 237 L N 1.947 123.040 121.223 -0.217 0.000 2.012 237 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 237 L C 2.521 179.311 176.870 -0.133 0.000 1.073 237 L CA 2.446 57.195 54.840 -0.153 0.000 0.748 237 L CB -1.119 40.881 42.059 -0.099 0.000 0.891 237 L HN 0.554 nan 8.230 nan 0.000 0.431 238 H N -0.614 118.277 119.070 -0.299 0.000 2.353 238 H HA -0.060 4.496 4.556 -0.000 0.000 0.300 238 H C 1.993 177.101 175.328 -0.367 0.000 1.090 238 H CA 1.742 57.484 56.048 -0.510 0.000 1.327 238 H CB -0.202 29.100 29.762 -0.767 0.000 1.383 238 H HN 0.399 nan 8.280 nan 0.000 0.508 239 A N 1.072 123.563 122.820 -0.548 0.000 1.877 239 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 239 A C 2.677 180.052 177.584 -0.347 0.000 1.186 239 A CA 1.871 53.610 52.037 -0.497 0.000 0.620 239 A CB -1.455 17.077 19.000 -0.779 0.000 0.822 239 A HN 0.644 nan 8.150 nan 0.000 0.443 240 A N -0.020 122.610 122.820 -0.316 0.000 1.908 240 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 240 A C 1.850 179.323 177.584 -0.185 0.000 1.181 240 A CA 2.307 54.227 52.037 -0.195 0.000 0.627 240 A CB -0.765 18.137 19.000 -0.162 0.000 0.818 240 A HN 0.565 nan 8.150 nan 0.000 0.445 241 D N -0.477 119.778 120.400 -0.241 0.000 2.104 241 D HA -0.125 4.515 4.640 -0.000 0.000 0.194 241 D C 1.732 177.856 176.300 -0.293 0.000 0.994 241 D CA 1.666 55.517 54.000 -0.248 0.000 0.830 241 D CB -0.136 40.484 40.800 -0.300 0.000 0.959 241 D HN 0.153 nan 8.370 nan 0.000 0.452 242 V N 0.504 120.195 119.914 -0.372 0.000 2.515 242 V HA -0.114 4.005 4.120 -0.000 0.000 0.250 242 V C 2.479 178.461 176.094 -0.188 0.000 1.058 242 V CA 1.510 63.616 62.300 -0.323 0.000 1.064 242 V CB -0.726 30.834 31.823 -0.439 0.000 0.675 242 V HN 0.333 nan 8.190 nan 0.000 0.461 243 A N -0.687 122.054 122.820 -0.132 0.000 1.873 243 A HA -0.227 4.093 4.320 -0.000 0.000 0.215 243 A C 2.261 179.866 177.584 0.035 0.000 1.186 243 A CA 1.672 53.696 52.037 -0.022 0.000 0.616 243 A CB -0.527 18.478 19.000 0.009 0.000 0.823 243 A HN 0.455 nan 8.150 nan 0.000 0.442 244 Q N 0.393 120.194 119.800 0.001 0.000 2.084 244 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 244 Q C 2.229 178.269 176.000 0.065 0.000 0.978 244 Q CA 2.055 57.896 55.803 0.063 0.000 0.844 244 Q CB -0.300 28.438 28.738 -0.000 0.000 0.898 244 Q HN 0.584 nan 8.270 nan 0.000 0.426 245 S N 0.026 115.681 115.700 -0.074 0.000 2.368 245 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 245 S C 1.984 176.657 174.600 0.123 0.000 1.030 245 S CA 1.607 59.745 58.200 -0.104 0.000 0.999 245 S CB -0.392 62.632 63.200 -0.294 0.000 0.844 245 S HN 0.461 nan 8.310 nan 0.000 0.459 246 T N 0.855 115.448 114.554 0.066 0.000 2.746 246 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 246 T C 1.730 176.523 174.700 0.156 0.000 1.039 246 T CA 1.734 63.882 62.100 0.080 0.000 1.142 246 T CB -0.469 68.411 68.868 0.021 0.000 0.866 246 T HN 0.580 nan 8.240 nan 0.000 0.444 247 H N 1.192 120.312 119.070 0.083 0.000 2.352 247 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 247 H C 1.977 177.388 175.328 0.138 0.000 1.097 247 H CA 1.589 57.697 56.048 0.100 0.000 1.311 247 H CB -0.714 29.104 29.762 0.092 0.000 1.377 247 H HN 0.156 nan 8.280 nan 0.000 0.504 248 V N 0.674 120.601 119.914 0.022 0.000 2.307 248 V HA -0.220 3.899 4.120 -0.000 0.000 0.245 248 V C 2.837 179.020 176.094 0.148 0.000 1.045 248 V CA 1.793 64.122 62.300 0.048 0.000 1.024 248 V CB -0.694 31.328 31.823 0.331 0.000 0.651 248 V HN 0.396 nan 8.190 nan 0.000 0.449 249 L N -0.690 120.689 121.223 0.260 0.000 2.127 249 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 249 L C 2.377 179.397 176.870 0.251 0.000 1.089 249 L CA 1.376 56.381 54.840 0.275 0.000 0.757 249 L CB -0.506 41.693 42.059 0.234 0.000 0.899 249 L HN 0.325 nan 8.230 nan 0.000 0.434 250 L N -1.167 120.160 121.223 0.174 0.000 2.141 250 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 250 L C 1.998 178.968 176.870 0.167 0.000 1.094 250 L CA 0.804 55.753 54.840 0.182 0.000 0.763 250 L CB -0.218 41.921 42.059 0.133 0.000 0.908 250 L HN 0.104 nan 8.230 nan 0.000 0.437 251 S N -1.232 114.518 115.700 0.082 0.000 2.743 251 S HA 0.006 4.476 4.470 -0.000 0.000 0.230 251 S C 0.682 175.318 174.600 0.060 0.000 0.950 251 S CA 0.007 58.235 58.200 0.046 0.000 0.976 251 S CB -0.272 62.901 63.200 -0.045 0.000 0.779 251 S HN 0.245 nan 8.310 nan 0.000 0.487 252 T N 3.007 117.623 114.554 0.104 0.000 2.794 252 T HA 0.196 4.546 4.350 -0.000 0.000 0.296 252 T C -1.688 173.037 174.700 0.041 0.000 0.949 252 T CA -1.930 60.218 62.100 0.081 0.000 1.101 252 T CB 0.777 69.726 68.868 0.135 0.000 0.905 252 T HN 0.001 nan 8.240 nan 0.000 0.516 253 P HA -0.211 nan 4.420 nan 0.000 0.220 253 P C 1.181 178.463 177.300 -0.030 0.000 1.155 253 P CA 1.517 64.611 63.100 -0.009 0.000 0.880 253 P CB 0.048 31.737 31.700 -0.017 0.000 0.790 254 A N -1.779 121.012 122.820 -0.049 0.000 2.178 254 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 254 A C 1.702 179.231 177.584 -0.092 0.000 1.157 254 A CA 1.204 53.189 52.037 -0.086 0.000 0.689 254 A CB -1.154 17.766 19.000 -0.134 0.000 0.787 254 A HN 0.221 nan 8.150 nan 0.000 0.465 255 L N -0.874 120.320 121.223 -0.049 0.000 3.122 255 L HA 0.182 4.522 4.340 -0.000 0.000 0.274 255 L C -0.150 176.689 176.870 -0.051 0.000 1.222 255 L CA -0.505 54.299 54.840 -0.060 0.000 1.028 255 L CB 0.109 42.208 42.059 0.067 0.000 1.386 255 L HN 0.175 nan 8.230 nan 0.000 0.578 256 D N 1.545 121.925 120.400 -0.034 0.000 2.531 256 D HA 0.170 4.810 4.640 -0.000 0.000 0.239 256 D C 1.271 177.543 176.300 -0.046 0.000 1.144 256 D CA 1.069 55.057 54.000 -0.019 0.000 0.869 256 D CB 0.812 41.600 40.800 -0.019 0.000 1.160 256 D HN 0.329 nan 8.370 nan 0.000 0.484 257 A N 2.434 125.242 122.820 -0.020 0.000 2.826 257 A HA -0.224 4.096 4.320 -0.000 0.000 0.274 257 A C 1.483 179.011 177.584 -0.093 0.000 1.443 257 A CA 1.133 53.151 52.037 -0.030 0.000 0.833 257 A CB -1.921 17.062 19.000 -0.028 0.000 1.023 257 A HN 0.442 nan 8.150 nan 0.000 0.600 258 V N -2.079 117.716 119.914 -0.199 0.000 2.599 258 V HA 0.136 4.256 4.120 -0.000 0.000 0.245 258 V C 1.050 176.862 176.094 -0.470 0.000 1.046 258 V CA 1.590 63.633 62.300 -0.428 0.000 1.065 258 V CB -0.360 31.011 31.823 -0.755 0.000 0.703 258 V HN 0.536 nan 8.190 nan 0.000 0.464 259 F N 0.921 120.893 119.950 0.038 0.000 2.422 259 F HA 0.510 5.037 4.527 -0.000 0.000 0.333 259 F C 1.012 176.846 175.800 0.057 0.000 1.095 259 F CA -1.090 56.941 58.000 0.053 0.000 1.038 259 F CB 0.804 39.842 39.000 0.063 0.000 1.156 259 F HN -0.045 nan 8.300 nan 0.000 0.483 260 T N -2.315 112.397 114.554 0.263 0.000 2.754 260 T HA 0.100 4.450 4.350 -0.000 0.000 0.286 260 T C 0.761 175.581 174.700 0.200 0.000 0.997 260 T CA -0.660 61.548 62.100 0.181 0.000 0.982 260 T CB 0.698 69.663 68.868 0.161 0.000 1.027 260 T HN 0.536 nan 8.240 nan 0.000 0.529 261 D N -0.305 120.205 120.400 0.182 0.000 2.264 261 D HA -0.037 4.603 4.640 -0.000 0.000 0.208 261 D C 1.818 178.362 176.300 0.407 0.000 0.966 261 D CA 0.494 54.638 54.000 0.241 0.000 0.864 261 D CB -0.052 40.824 40.800 0.125 0.000 0.933 261 D HN 0.355 nan 8.370 nan 0.000 0.499 262 L N 1.322 122.765 121.223 0.367 0.000 2.095 262 L HA -0.072 4.268 4.340 -0.000 0.000 0.204 262 L C 1.957 178.864 176.870 0.061 0.000 1.080 262 L CA 1.592 56.544 54.840 0.187 0.000 0.759 262 L CB -0.256 41.895 42.059 0.154 0.000 0.914 262 L HN -0.145 nan 8.230 nan 0.000 0.439 263 E N -0.333 119.938 120.200 0.118 0.000 2.110 263 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 263 E C 2.244 178.847 176.600 0.004 0.000 0.988 263 E CA 1.604 58.050 56.400 0.075 0.000 0.804 263 E CB -0.199 29.599 29.700 0.164 0.000 0.745 263 E HN 0.549 nan 8.360 nan 0.000 0.458 264 I N 0.721 121.326 120.570 0.058 0.000 2.252 264 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 264 I C 2.438 178.573 176.117 0.030 0.000 1.102 264 I CA 0.470 61.791 61.300 0.036 0.000 1.385 264 I CB -0.149 37.907 38.000 0.095 0.000 1.064 264 I HN 0.142 nan 8.210 nan 0.000 0.414 265 L N 1.352 122.586 121.223 0.017 0.000 2.042 265 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 265 L C 2.545 179.468 176.870 0.088 0.000 1.076 265 L CA 2.163 56.990 54.840 -0.023 0.000 0.749 265 L CB -0.799 41.102 42.059 -0.263 0.000 0.893 265 L HN 0.187 nan 8.230 nan 0.000 0.432 266 A N -0.370 122.469 122.820 0.031 0.000 1.858 266 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 266 A C 2.486 180.159 177.584 0.149 0.000 1.190 266 A CA 2.034 54.128 52.037 0.095 0.000 0.617 266 A CB -1.340 17.683 19.000 0.039 0.000 0.827 266 A HN 0.592 nan 8.150 nan 0.000 0.443 267 A N -0.068 122.786 122.820 0.057 0.000 1.883 267 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 267 A C 2.152 179.789 177.584 0.089 0.000 1.186 267 A CA 1.751 53.802 52.037 0.024 0.000 0.624 267 A CB -0.685 18.270 19.000 -0.075 0.000 0.822 267 A HN 0.521 nan 8.150 nan 0.000 0.444 268 I N -2.139 118.524 120.570 0.155 0.000 2.252 268 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 268 I C 2.354 178.656 176.117 0.309 0.000 1.102 268 I CA 1.402 62.839 61.300 0.228 0.000 1.385 268 I CB -0.334 37.842 38.000 0.294 0.000 1.064 268 I HN 0.441 nan 8.210 nan 0.000 0.414 269 F N 2.024 122.114 119.950 0.233 0.000 2.102 269 F HA -0.199 4.327 4.527 -0.000 0.000 0.298 269 F C 2.495 178.377 175.800 0.136 0.000 1.105 269 F CA 1.316 59.455 58.000 0.232 0.000 1.239 269 F CB -0.456 38.714 39.000 0.284 0.000 0.991 269 F HN -0.003 nan 8.300 nan 0.000 0.474 270 A N 0.584 123.468 122.820 0.106 0.000 1.892 270 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 270 A C 2.442 180.003 177.584 -0.038 0.000 1.188 270 A CA 2.195 54.222 52.037 -0.017 0.000 0.631 270 A CB -1.650 17.388 19.000 0.063 0.000 0.822 270 A HN 0.536 nan 8.150 nan 0.000 0.447 271 A N -0.399 122.409 122.820 -0.021 0.000 1.930 271 A HA 0.195 4.515 4.320 -0.000 0.000 0.217 271 A C 2.485 180.106 177.584 0.061 0.000 1.175 271 A CA 2.002 54.001 52.037 -0.064 0.000 0.627 271 A CB -0.944 18.003 19.000 -0.087 0.000 0.815 271 A HN 1.095 nan 8.150 nan 0.000 0.443 272 A N 0.352 123.176 122.820 0.008 0.000 1.930 272 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 272 A C 1.997 179.582 177.584 0.002 0.000 1.175 272 A CA 1.494 53.527 52.037 -0.007 0.000 0.627 272 A CB -0.643 18.363 19.000 0.011 0.000 0.815 272 A HN 1.048 nan 8.150 nan 0.000 0.443 273 I N -3.460 117.017 120.570 -0.156 0.000 3.956 273 I HA 0.090 4.260 4.170 -0.000 0.000 0.333 273 I C 1.866 177.912 176.117 -0.118 0.000 1.302 273 I CA 0.608 61.791 61.300 -0.194 0.000 1.122 273 I CB -0.469 37.223 38.000 -0.513 0.000 1.013 273 I HN 0.450 nan 8.210 nan 0.000 0.405 274 H N 0.724 119.723 119.070 -0.119 0.000 2.518 274 H HA -0.119 4.437 4.556 -0.000 0.000 0.292 274 H C 0.116 175.270 175.328 -0.291 0.000 1.068 274 H CA 1.520 57.510 56.048 -0.098 0.000 1.275 274 H CB -0.246 29.497 29.762 -0.031 0.000 1.375 274 H HN 0.420 nan 8.280 nan 0.000 0.563 275 D N 0.866 120.767 120.400 -0.832 0.000 2.540 275 D HA 0.110 4.750 4.640 -0.000 0.000 0.229 275 D C -0.046 175.779 176.300 -0.792 0.000 1.250 275 D CA -0.299 53.068 54.000 -1.055 0.000 0.817 275 D CB 0.877 41.476 40.800 -0.336 0.000 1.060 275 D HN 0.109 nan 8.370 nan 0.000 0.508 276 V N 1.626 121.046 119.914 -0.824 0.000 2.720 276 V HA -0.060 4.060 4.120 -0.000 0.000 0.307 276 V C 0.697 176.587 176.094 -0.339 0.000 1.071 276 V CA 0.969 62.642 62.300 -1.045 0.000 1.199 276 V CB 0.613 32.032 31.823 -0.673 0.000 0.900 276 V HN 0.366 nan 8.190 nan 0.000 0.494 277 D N 3.155 123.400 120.400 -0.257 0.000 2.981 277 D HA -0.214 4.426 4.640 -0.000 0.000 0.223 277 D C 0.110 176.416 176.300 0.011 0.000 1.151 277 D CA 1.208 55.280 54.000 0.119 0.000 0.827 277 D CB -1.516 39.398 40.800 0.191 0.000 1.101 277 D HN 0.874 nan 8.370 nan 0.000 0.426 278 H N 0.108 119.080 119.070 -0.164 0.000 2.848 278 H HA 0.161 4.716 4.556 -0.000 0.000 0.317 278 H C -1.491 173.532 175.328 -0.508 0.000 1.046 278 H CA -0.418 55.556 56.048 -0.125 0.000 1.470 278 H CB 1.328 31.072 29.762 -0.031 0.000 1.483 278 H HN 0.133 nan 8.280 nan 0.000 0.548 279 P HA 0.077 nan 4.420 nan 0.000 0.245 279 P C 0.657 177.945 177.300 -0.020 0.000 1.206 279 P CA 1.195 64.171 63.100 -0.207 0.000 0.781 279 P CB 0.657 32.277 31.700 -0.133 0.000 0.994 280 G N -0.281 108.654 108.800 0.224 0.000 2.157 280 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.239 280 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.239 280 G C 0.039 174.938 174.900 -0.002 0.000 0.982 280 G CA 0.072 45.262 45.100 0.149 0.000 0.650 280 G HN 0.561 nan 8.290 nan 0.000 0.527 281 V N -1.631 118.227 119.914 -0.092 0.000 3.001 281 V HA 0.957 5.077 4.120 -0.000 0.000 0.314 281 V C 0.584 176.589 176.094 -0.148 0.000 1.099 281 V CA -0.076 62.049 62.300 -0.293 0.000 0.989 281 V CB 1.548 32.926 31.823 -0.742 0.000 1.040 281 V HN 1.420 nan 8.190 nan 0.000 0.434 282 S N 1.647 117.272 115.700 -0.126 0.000 2.624 282 S HA 0.265 4.735 4.470 -0.000 0.000 0.263 282 S C 0.782 175.373 174.600 -0.015 0.000 1.287 282 S CA -0.079 58.083 58.200 -0.062 0.000 0.990 282 S CB 0.486 63.642 63.200 -0.074 0.000 0.950 282 S HN 0.815 nan 8.310 nan 0.000 0.561 283 N N 0.780 119.463 118.700 -0.028 0.000 2.104 283 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 283 N C 1.727 177.249 175.510 0.020 0.000 1.024 283 N CA 1.497 54.534 53.050 -0.021 0.000 0.853 283 N CB -0.780 37.692 38.487 -0.024 0.000 1.008 283 N HN 0.759 nan 8.380 nan 0.000 0.424 284 Q N 0.188 120.006 119.800 0.029 0.000 2.135 284 Q HA -0.064 4.276 4.340 -0.000 0.000 0.204 284 Q C 1.793 177.825 176.000 0.052 0.000 0.981 284 Q CA 1.125 56.946 55.803 0.029 0.000 0.856 284 Q CB -0.546 28.205 28.738 0.022 0.000 0.902 284 Q HN 0.396 nan 8.270 nan 0.000 0.425 285 F N -0.312 119.598 119.950 -0.066 0.000 2.146 285 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 285 F C 1.480 177.247 175.800 -0.056 0.000 1.096 285 F CA 1.203 59.167 58.000 -0.060 0.000 1.275 285 F CB -0.108 38.849 39.000 -0.071 0.000 1.008 285 F HN 0.091 nan 8.300 nan 0.000 0.480 286 L N -0.170 121.176 121.223 0.206 0.000 2.056 286 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 286 L C 2.463 179.321 176.870 -0.020 0.000 1.078 286 L CA 1.384 56.279 54.840 0.090 0.000 0.749 286 L CB -0.744 41.341 42.059 0.043 0.000 0.901 286 L HN 0.164 nan 8.230 nan 0.000 0.433 287 I N 0.079 120.636 120.570 -0.021 0.000 2.226 287 I HA -0.266 3.903 4.170 -0.000 0.000 0.245 287 I C 2.102 178.174 176.117 -0.075 0.000 1.100 287 I CA 1.122 62.399 61.300 -0.037 0.000 1.374 287 I CB -0.412 37.576 38.000 -0.020 0.000 1.057 287 I HN 0.337 nan 8.210 nan 0.000 0.413 288 N N 0.359 118.992 118.700 -0.113 0.000 2.309 288 N HA -0.110 4.630 4.740 -0.000 0.000 0.182 288 N C 1.709 177.098 175.510 -0.200 0.000 1.018 288 N CA 1.800 54.760 53.050 -0.150 0.000 0.876 288 N CB -0.478 37.907 38.487 -0.171 0.000 0.972 288 N HN 0.460 nan 8.380 nan 0.000 0.434 289 T N -2.152 112.243 114.554 -0.265 0.000 3.107 289 T HA 0.109 4.459 4.350 -0.000 0.000 0.249 289 T C 0.222 174.842 174.700 -0.132 0.000 1.096 289 T CA -0.372 61.578 62.100 -0.250 0.000 1.012 289 T CB -0.080 68.572 68.868 -0.360 0.000 0.977 289 T HN -0.028 nan 8.240 nan 0.000 0.527 290 N N 2.018 120.658 118.700 -0.101 0.000 2.740 290 N HA -0.153 4.586 4.740 -0.000 0.000 0.248 290 N C 0.074 175.553 175.510 -0.052 0.000 1.062 290 N CA 1.015 54.026 53.050 -0.065 0.000 0.704 290 N CB -2.011 36.441 38.487 -0.058 0.000 0.968 290 N HN 0.919 nan 8.380 nan 0.000 0.547 291 S N -1.248 114.424 115.700 -0.047 0.000 2.579 291 S HA 0.090 4.560 4.470 -0.000 0.000 0.275 291 S C 1.381 175.959 174.600 -0.036 0.000 1.345 291 S CA 0.019 58.201 58.200 -0.030 0.000 1.031 291 S CB 1.891 65.084 63.200 -0.011 0.000 0.892 291 S HN 0.392 nan 8.310 nan 0.000 0.529 292 E N 0.473 120.649 120.200 -0.039 0.000 2.118 292 E HA -0.190 4.159 4.350 -0.000 0.000 0.195 292 E C 1.702 178.263 176.600 -0.066 0.000 0.992 292 E CA 1.065 57.434 56.400 -0.050 0.000 0.804 292 E CB -0.185 29.488 29.700 -0.045 0.000 0.741 292 E HN 0.676 nan 8.360 nan 0.000 0.458 293 L N 0.760 121.943 121.223 -0.066 0.000 2.017 293 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 293 L C 2.326 179.209 176.870 0.022 0.000 1.073 293 L CA 2.163 56.973 54.840 -0.051 0.000 0.745 293 L CB -0.793 41.195 42.059 -0.117 0.000 0.894 293 L HN 0.227 nan 8.230 nan 0.000 0.432 294 A N -1.049 121.773 122.820 0.003 0.000 1.930 294 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 294 A C 2.232 179.819 177.584 0.004 0.000 1.175 294 A CA 1.639 53.690 52.037 0.023 0.000 0.627 294 A CB -0.729 18.270 19.000 -0.002 0.000 0.815 294 A HN 0.463 nan 8.150 nan 0.000 0.443 295 L N -1.232 119.972 121.223 -0.032 0.000 2.093 295 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 295 L C 2.795 179.614 176.870 -0.085 0.000 1.085 295 L CA 1.672 56.483 54.840 -0.048 0.000 0.755 295 L CB -0.481 41.547 42.059 -0.052 0.000 0.904 295 L HN 0.560 nan 8.230 nan 0.000 0.435 296 M N -0.833 118.678 119.600 -0.147 0.000 2.117 296 M HA -0.234 4.246 4.480 -0.000 0.000 0.262 296 M C 1.320 177.373 176.300 -0.411 0.000 1.065 296 M CA 1.938 57.050 55.300 -0.314 0.000 1.114 296 M CB 0.021 32.344 32.600 -0.462 0.000 1.361 296 M HN 0.124 nan 8.290 nan 0.000 0.408 297 Y N 1.166 121.454 120.300 -0.021 0.000 2.532 297 Y HA 0.239 4.789 4.550 -0.000 0.000 0.283 297 Y C 0.329 176.220 175.900 -0.014 0.000 1.181 297 Y CA -0.546 57.545 58.100 -0.014 0.000 1.256 297 Y CB -0.528 37.922 38.460 -0.018 0.000 1.112 297 Y HN 0.380 nan 8.280 nan 0.000 0.521 298 N N 1.262 120.002 118.700 0.067 0.000 2.716 298 N HA -0.258 4.482 4.740 -0.000 0.000 0.250 298 N C -0.497 175.044 175.510 0.051 0.000 1.033 298 N CA 1.397 54.474 53.050 0.044 0.000 0.727 298 N CB -1.041 37.468 38.487 0.038 0.000 0.950 298 N HN 0.505 nan 8.380 nan 0.000 0.541 299 D N -1.796 118.637 120.400 0.055 0.000 3.067 299 D HA -0.203 4.437 4.640 -0.000 0.000 0.216 299 D C -0.168 176.153 176.300 0.036 0.000 1.162 299 D CA 1.470 55.492 54.000 0.037 0.000 0.960 299 D CB -0.942 39.868 40.800 0.017 0.000 1.129 299 D HN 0.703 nan 8.370 nan 0.000 0.408 300 E N -0.119 120.112 120.200 0.052 0.000 2.151 300 E HA 0.420 4.770 4.350 -0.000 0.000 0.275 300 E C 0.176 176.780 176.600 0.006 0.000 0.936 300 E CA -0.468 55.951 56.400 0.032 0.000 0.777 300 E CB 1.262 30.985 29.700 0.038 0.000 1.108 300 E HN -0.048 nan 8.360 nan 0.000 0.401 301 S N 1.227 116.918 115.700 -0.014 0.000 3.410 301 S HA -0.180 4.290 4.470 -0.000 0.000 0.369 301 S C 1.338 175.859 174.600 -0.132 0.000 0.961 301 S CA 0.248 58.417 58.200 -0.051 0.000 1.248 301 S CB -1.373 61.800 63.200 -0.043 0.000 0.914 301 S HN 0.477 nan 8.310 nan 0.000 0.497 302 V N 0.736 120.590 119.914 -0.100 0.000 2.219 302 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 302 V C 2.290 178.213 176.094 -0.284 0.000 1.053 302 V CA 2.558 64.779 62.300 -0.130 0.000 1.009 302 V CB -0.531 31.273 31.823 -0.032 0.000 0.636 302 V HN 0.690 nan 8.190 nan 0.000 0.445 303 L N -0.584 120.467 121.223 -0.287 0.000 2.046 303 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 303 L C 2.662 179.101 176.870 -0.720 0.000 1.077 303 L CA 1.576 56.108 54.840 -0.514 0.000 0.747 303 L CB -0.594 41.176 42.059 -0.482 0.000 0.896 303 L HN 0.356 nan 8.230 nan 0.000 0.432 304 E N -0.033 119.975 120.200 -0.320 0.000 2.077 304 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 304 E C 1.985 178.478 176.600 -0.178 0.000 0.989 304 E CA 0.968 57.312 56.400 -0.094 0.000 0.800 304 E CB -0.254 29.456 29.700 0.016 0.000 0.746 304 E HN 0.347 nan 8.360 nan 0.000 0.452 305 N N -0.152 118.336 118.700 -0.354 0.000 2.166 305 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 305 N C 1.786 177.021 175.510 -0.459 0.000 1.019 305 N CA 1.185 53.932 53.050 -0.505 0.000 0.856 305 N CB -0.239 37.612 38.487 -1.059 0.000 0.993 305 N HN 0.268 nan 8.380 nan 0.000 0.426 306 H N 0.786 119.494 119.070 -0.604 0.000 2.357 306 H HA -0.042 4.514 4.556 -0.000 0.000 0.301 306 H C 1.817 177.069 175.328 -0.127 0.000 1.082 306 H CA 1.720 57.606 56.048 -0.270 0.000 1.342 306 H CB -0.126 29.485 29.762 -0.251 0.000 1.389 306 H HN 0.275 nan 8.280 nan 0.000 0.511 307 H N 0.064 119.038 119.070 -0.160 0.000 2.319 307 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 307 H C 2.643 177.876 175.328 -0.159 0.000 1.092 307 H CA 1.557 57.482 56.048 -0.205 0.000 1.302 307 H CB -0.636 29.056 29.762 -0.118 0.000 1.373 307 H HN 0.347 nan 8.280 nan 0.000 0.497 308 L N 0.120 121.382 121.223 0.066 0.000 2.017 308 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 308 L C 2.893 179.894 176.870 0.218 0.000 1.073 308 L CA 1.104 56.030 54.840 0.142 0.000 0.745 308 L CB -0.553 41.630 42.059 0.208 0.000 0.894 308 L HN 0.233 nan 8.230 nan 0.000 0.432 309 A N -0.569 122.336 122.820 0.142 0.000 1.908 309 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 309 A C 2.306 179.951 177.584 0.102 0.000 1.181 309 A CA 1.991 54.135 52.037 0.178 0.000 0.627 309 A CB -0.826 18.298 19.000 0.208 0.000 0.818 309 A HN 0.223 nan 8.150 nan 0.000 0.445 310 V N -0.263 119.607 119.914 -0.073 0.000 2.323 310 V HA -0.119 4.001 4.120 -0.000 0.000 0.244 310 V C 2.845 178.889 176.094 -0.083 0.000 1.041 310 V CA 1.767 63.983 62.300 -0.141 0.000 1.025 310 V CB -1.478 30.157 31.823 -0.315 0.000 0.656 310 V HN 0.605 nan 8.190 nan 0.000 0.451 311 G N -0.448 108.299 108.800 -0.088 0.000 2.476 311 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 311 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 311 G C 1.462 176.417 174.900 0.093 0.000 1.164 311 G CA 1.104 46.151 45.100 -0.087 0.000 0.768 311 G HN 0.457 nan 8.290 nan 0.000 0.560 312 F N 0.796 120.882 119.950 0.227 0.000 2.234 312 F HA 0.165 4.692 4.527 -0.000 0.000 0.296 312 F C 2.486 178.382 175.800 0.159 0.000 1.089 312 F CA 1.261 59.408 58.000 0.246 0.000 1.343 312 F CB -0.138 38.981 39.000 0.198 0.000 1.040 312 F HN 0.051 nan 8.300 nan 0.000 0.498 313 K N 1.061 121.625 120.400 0.273 0.000 2.097 313 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 313 K C 1.763 178.429 176.600 0.111 0.000 1.049 313 K CA 1.357 57.737 56.287 0.155 0.000 0.933 313 K CB -0.651 31.903 32.500 0.090 0.000 0.717 313 K HN 0.268 nan 8.250 nan 0.000 0.442 314 L N 0.561 121.834 121.223 0.084 0.000 2.353 314 L HA -0.108 4.232 4.340 -0.000 0.000 0.220 314 L C 1.919 178.914 176.870 0.208 0.000 1.133 314 L CA 0.537 55.404 54.840 0.044 0.000 0.798 314 L CB -0.360 41.621 42.059 -0.130 0.000 0.922 314 L HN 0.189 nan 8.230 nan 0.000 0.445 315 L N -0.803 120.577 121.223 0.261 0.000 2.201 315 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 315 L C 2.309 179.242 176.870 0.105 0.000 1.105 315 L CA 1.056 55.988 54.840 0.153 0.000 0.775 315 L CB -0.356 41.761 42.059 0.097 0.000 0.913 315 L HN 0.356 nan 8.230 nan 0.000 0.440 316 Q N -0.333 119.528 119.800 0.102 0.000 2.435 316 Q HA -0.004 4.336 4.340 -0.000 0.000 0.207 316 Q C 0.244 176.269 176.000 0.042 0.000 0.956 316 Q CA 0.240 56.082 55.803 0.066 0.000 0.917 316 Q CB 0.195 28.971 28.738 0.063 0.000 0.997 316 Q HN 0.514 nan 8.270 nan 0.000 0.497 317 E N 1.259 121.486 120.200 0.044 0.000 2.392 317 E HA 0.007 4.357 4.350 -0.000 0.000 0.256 317 E C -0.302 176.297 176.600 -0.001 0.000 1.145 317 E CA -0.376 56.033 56.400 0.015 0.000 0.929 317 E CB 0.508 30.214 29.700 0.010 0.000 0.998 317 E HN -0.030 nan 8.360 nan 0.000 0.442 318 E N 0.914 121.083 120.200 -0.052 0.000 2.729 318 E HA -0.163 4.187 4.350 -0.000 0.000 0.246 318 E C -0.768 175.784 176.600 -0.080 0.000 0.984 318 E CA 1.055 57.363 56.400 -0.153 0.000 0.951 318 E CB -0.582 28.979 29.700 -0.231 0.000 0.914 318 E HN 0.589 nan 8.360 nan 0.000 0.509 319 H N 1.336 120.414 119.070 0.014 0.000 2.899 319 H HA -0.226 4.330 4.556 -0.000 0.000 0.282 319 H C 0.217 175.557 175.328 0.019 0.000 1.198 319 H CA 0.362 56.418 56.048 0.013 0.000 1.140 319 H CB -1.713 28.052 29.762 0.005 0.000 1.317 319 H HN 0.496 nan 8.280 nan 0.000 0.375 320 C N -0.143 119.235 119.300 0.130 0.000 3.038 320 C HA 0.056 4.516 4.460 -0.000 0.000 0.279 320 C C 1.133 176.138 174.990 0.026 0.000 1.276 320 C CA -0.254 58.846 59.018 0.136 0.000 1.697 320 C CB -0.140 27.717 27.740 0.196 0.000 2.032 320 C HN 0.490 nan 8.230 nan 0.000 0.636 321 D N 2.009 122.404 120.400 -0.007 0.000 2.470 321 D HA 0.126 4.766 4.640 -0.000 0.000 0.226 321 D C 1.301 177.496 176.300 -0.176 0.000 1.196 321 D CA -0.142 53.800 54.000 -0.097 0.000 0.979 321 D CB -0.051 40.748 40.800 -0.001 0.000 1.059 321 D HN 0.589 nan 8.370 nan 0.000 0.515 322 I N -1.041 119.260 120.570 -0.448 0.000 3.001 322 I HA -0.004 4.166 4.170 -0.000 0.000 0.268 322 I C 0.402 176.305 176.117 -0.356 0.000 1.267 322 I CA 0.525 61.572 61.300 -0.423 0.000 1.472 322 I CB -0.247 37.390 38.000 -0.605 0.000 1.089 322 I HN 0.017 nan 8.210 nan 0.000 0.468 323 F N 0.606 120.486 119.950 -0.117 0.000 2.641 323 F HA 0.358 4.885 4.527 -0.000 0.000 0.302 323 F C 1.956 177.741 175.800 -0.025 0.000 1.098 323 F CA -0.410 57.533 58.000 -0.095 0.000 1.318 323 F CB -0.373 38.538 39.000 -0.149 0.000 1.035 323 F HN 0.042 nan 8.300 nan 0.000 0.551 324 M N 0.491 120.161 119.600 0.117 0.000 2.106 324 M HA -0.238 4.242 4.480 -0.000 0.000 0.259 324 M C 1.141 177.504 176.300 0.105 0.000 1.068 324 M CA 1.850 57.208 55.300 0.097 0.000 1.100 324 M CB -0.095 32.545 32.600 0.068 0.000 1.351 324 M HN -0.023 nan 8.290 nan 0.000 0.404 325 N N 0.853 119.627 118.700 0.124 0.000 2.370 325 N HA 0.204 4.944 4.740 -0.000 0.000 0.198 325 N C -0.389 175.212 175.510 0.151 0.000 1.156 325 N CA 0.266 53.391 53.050 0.124 0.000 0.839 325 N CB -0.044 38.515 38.487 0.120 0.000 0.989 325 N HN 0.381 nan 8.380 nan 0.000 0.468 326 L N 0.508 121.827 121.223 0.159 0.000 2.399 326 L HA 0.277 4.617 4.340 -0.000 0.000 0.265 326 L C 1.246 178.171 176.870 0.092 0.000 1.089 326 L CA -0.691 54.242 54.840 0.154 0.000 0.802 326 L CB 0.751 42.867 42.059 0.096 0.000 1.180 326 L HN 0.031 nan 8.230 nan 0.000 0.454 327 T N -2.446 112.155 114.554 0.078 0.000 2.813 327 T HA 0.077 4.427 4.350 -0.000 0.000 0.297 327 T C 0.946 175.658 174.700 0.021 0.000 1.036 327 T CA -0.535 61.593 62.100 0.046 0.000 1.044 327 T CB 1.261 70.153 68.868 0.040 0.000 0.993 327 T HN 0.694 nan 8.240 nan 0.000 0.535 328 K N 0.406 120.812 120.400 0.011 0.000 2.032 328 K HA -0.205 4.114 4.320 -0.000 0.000 0.209 328 K C 2.208 178.794 176.600 -0.023 0.000 1.048 328 K CA 1.704 57.987 56.287 -0.006 0.000 0.927 328 K CB -0.258 32.239 32.500 -0.006 0.000 0.712 328 K HN 0.595 nan 8.250 nan 0.000 0.441 329 K N 1.171 121.561 120.400 -0.017 0.000 2.063 329 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 329 K C 2.016 178.594 176.600 -0.037 0.000 1.048 329 K CA 1.729 57.999 56.287 -0.027 0.000 0.928 329 K CB -0.084 32.406 32.500 -0.015 0.000 0.713 329 K HN 0.290 nan 8.250 nan 0.000 0.442 330 Q N -0.275 119.512 119.800 -0.021 0.000 2.046 330 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 330 Q C 2.280 178.211 176.000 -0.116 0.000 0.975 330 Q CA 1.439 57.220 55.803 -0.036 0.000 0.836 330 Q CB -0.127 28.624 28.738 0.021 0.000 0.896 330 Q HN 0.276 nan 8.270 nan 0.000 0.428 331 R N 0.561 120.992 120.500 -0.116 0.000 2.081 331 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 331 R C 2.270 178.472 176.300 -0.164 0.000 1.131 331 R CA 1.345 57.337 56.100 -0.180 0.000 0.960 331 R CB -0.122 30.117 30.300 -0.102 0.000 0.856 331 R HN 0.400 nan 8.270 nan 0.000 0.436 332 Q N -0.607 119.125 119.800 -0.113 0.000 2.119 332 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 332 Q C 1.954 177.894 176.000 -0.100 0.000 0.972 332 Q CA 1.646 57.386 55.803 -0.105 0.000 0.847 332 Q CB 0.003 28.692 28.738 -0.081 0.000 0.903 332 Q HN 0.319 nan 8.270 nan 0.000 0.433 333 T N 1.924 116.421 114.554 -0.094 0.000 2.737 333 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 333 T C 1.873 176.541 174.700 -0.053 0.000 1.038 333 T CA 0.813 62.867 62.100 -0.078 0.000 1.144 333 T CB -0.246 68.585 68.868 -0.063 0.000 0.866 333 T HN 0.226 nan 8.240 nan 0.000 0.434 334 L N 0.959 122.115 121.223 -0.111 0.000 1.994 334 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 334 L C 2.758 179.604 176.870 -0.039 0.000 1.071 334 L CA 1.678 56.436 54.840 -0.137 0.000 0.745 334 L CB -0.284 41.549 42.059 -0.377 0.000 0.892 334 L HN 0.097 nan 8.230 nan 0.000 0.431 335 R N 0.133 120.589 120.500 -0.073 0.000 2.103 335 R HA -0.282 4.058 4.340 -0.000 0.000 0.242 335 R C 2.469 178.796 176.300 0.044 0.000 1.142 335 R CA 2.279 58.375 56.100 -0.007 0.000 0.960 335 R CB -0.318 29.833 30.300 -0.248 0.000 0.858 335 R HN 0.394 nan 8.270 nan 0.000 0.439 336 K N 0.073 120.477 120.400 0.007 0.000 2.057 336 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 336 K C 2.138 178.810 176.600 0.120 0.000 1.049 336 K CA 1.894 58.209 56.287 0.048 0.000 0.931 336 K CB -0.043 32.470 32.500 0.022 0.000 0.714 336 K HN 0.235 nan 8.250 nan 0.000 0.440 337 M N 0.215 119.896 119.600 0.136 0.000 2.099 337 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 337 M C 2.197 178.583 176.300 0.144 0.000 1.067 337 M CA 1.176 56.568 55.300 0.154 0.000 1.124 337 M CB -0.162 32.524 32.600 0.143 0.000 1.353 337 M HN -0.022 nan 8.290 nan 0.000 0.410 338 V N 1.017 121.046 119.914 0.192 0.000 2.287 338 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 338 V C 2.263 178.497 176.094 0.233 0.000 1.053 338 V CA 1.826 64.275 62.300 0.249 0.000 1.027 338 V CB -0.597 31.484 31.823 0.430 0.000 0.646 338 V HN 0.418 nan 8.190 nan 0.000 0.447 339 I N 0.143 120.868 120.570 0.258 0.000 2.163 339 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 339 I C 2.523 178.717 176.117 0.129 0.000 1.085 339 I CA 2.048 63.470 61.300 0.203 0.000 1.347 339 I CB -0.522 37.570 38.000 0.154 0.000 1.044 339 I HN 0.417 nan 8.210 nan 0.000 0.408 340 D N 1.002 121.469 120.400 0.111 0.000 2.092 340 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 340 D C 2.314 178.649 176.300 0.058 0.000 0.994 340 D CA 1.780 55.826 54.000 0.077 0.000 0.828 340 D CB -0.033 40.815 40.800 0.080 0.000 0.963 340 D HN 0.251 nan 8.370 nan 0.000 0.450 341 M N -0.151 119.487 119.600 0.063 0.000 2.086 341 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 341 M C 2.495 178.827 176.300 0.054 0.000 1.067 341 M CA 0.950 56.274 55.300 0.039 0.000 1.116 341 M CB -0.156 32.463 32.600 0.031 0.000 1.348 341 M HN -0.071 nan 8.290 nan 0.000 0.407 342 V N 0.743 120.710 119.914 0.088 0.000 2.343 342 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 342 V C 2.266 178.427 176.094 0.111 0.000 1.051 342 V CA 1.528 63.899 62.300 0.119 0.000 1.036 342 V CB -0.661 31.243 31.823 0.136 0.000 0.654 342 V HN 0.473 nan 8.190 nan 0.000 0.451 343 L N 0.187 121.459 121.223 0.081 0.000 2.191 343 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 343 L C 2.553 179.444 176.870 0.035 0.000 1.103 343 L CA 1.337 56.209 54.840 0.054 0.000 0.769 343 L CB -0.674 41.409 42.059 0.040 0.000 0.908 343 L HN 0.383 nan 8.230 nan 0.000 0.438 344 A N -0.214 122.618 122.820 0.019 0.000 2.168 344 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 344 A C 2.244 179.796 177.584 -0.055 0.000 1.152 344 A CA 1.494 53.508 52.037 -0.039 0.000 0.716 344 A CB -0.668 18.297 19.000 -0.058 0.000 0.794 344 A HN 0.504 nan 8.150 nan 0.000 0.465 345 T N -2.343 112.247 114.554 0.061 0.000 3.118 345 T HA -0.018 4.332 4.350 -0.000 0.000 0.260 345 T C 0.530 175.340 174.700 0.183 0.000 1.139 345 T CA 0.405 62.607 62.100 0.170 0.000 1.085 345 T CB -0.409 68.618 68.868 0.264 0.000 0.934 345 T HN 0.319 nan 8.240 nan 0.000 0.518 346 D N 1.448 121.914 120.400 0.109 0.000 2.382 346 D HA 0.032 4.672 4.640 -0.000 0.000 0.259 346 D C 1.181 177.548 176.300 0.111 0.000 1.224 346 D CA -0.264 53.799 54.000 0.104 0.000 0.894 346 D CB 0.725 41.558 40.800 0.057 0.000 1.127 346 D HN -0.004 nan 8.370 nan 0.000 0.487 347 M N 2.624 122.321 119.600 0.161 0.000 2.346 347 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 347 M C 1.952 178.351 176.300 0.164 0.000 1.064 347 M CA 0.832 56.248 55.300 0.194 0.000 1.083 347 M CB -1.064 31.649 32.600 0.188 0.000 1.399 347 M HN 0.465 nan 8.290 nan 0.000 0.435 348 S N -0.725 115.041 115.700 0.111 0.000 2.481 348 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 348 S C 1.518 176.165 174.600 0.078 0.000 0.996 348 S CA 0.564 58.818 58.200 0.091 0.000 0.942 348 S CB -0.115 63.121 63.200 0.060 0.000 0.768 348 S HN 0.315 nan 8.310 nan 0.000 0.520 349 K N 0.593 121.029 120.400 0.060 0.000 2.374 349 K HA 0.179 4.499 4.320 -0.000 0.000 0.196 349 K C 1.353 177.949 176.600 -0.006 0.000 1.023 349 K CA 0.360 56.654 56.287 0.011 0.000 1.103 349 K CB -0.448 32.033 32.500 -0.030 0.000 0.848 349 K HN 0.617 nan 8.250 nan 0.000 0.528 350 H N 1.911 120.969 119.070 -0.021 0.000 2.265 350 H HA -0.108 4.448 4.556 -0.000 0.000 0.295 350 H C 1.852 177.205 175.328 0.042 0.000 1.084 350 H CA 2.180 58.242 56.048 0.023 0.000 1.261 350 H CB 0.163 30.025 29.762 0.166 0.000 1.360 350 H HN -0.097 nan 8.280 nan 0.000 0.487 351 M N 0.052 119.605 119.600 -0.079 0.000 2.080 351 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 351 M C 2.544 178.770 176.300 -0.123 0.000 1.068 351 M CA 1.651 56.876 55.300 -0.126 0.000 1.109 351 M CB -1.100 31.511 32.600 0.017 0.000 1.342 351 M HN 0.292 nan 8.290 nan 0.000 0.405 352 S N 0.907 116.563 115.700 -0.072 0.000 2.359 352 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 352 S C 2.094 176.642 174.600 -0.085 0.000 1.035 352 S CA 1.100 59.264 58.200 -0.059 0.000 1.018 352 S CB -0.448 62.731 63.200 -0.036 0.000 0.876 352 S HN 0.410 nan 8.310 nan 0.000 0.448 353 L N 0.580 121.729 121.223 -0.124 0.000 2.012 353 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 353 L C 2.450 179.254 176.870 -0.110 0.000 1.073 353 L CA 1.052 55.817 54.840 -0.125 0.000 0.748 353 L CB -0.502 41.441 42.059 -0.193 0.000 0.891 353 L HN 0.303 nan 8.230 nan 0.000 0.431 354 L N 0.071 121.183 121.223 -0.187 0.000 1.994 354 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 354 L C 2.657 179.483 176.870 -0.073 0.000 1.071 354 L CA 2.177 56.931 54.840 -0.144 0.000 0.745 354 L CB -0.892 41.014 42.059 -0.254 0.000 0.892 354 L HN 0.167 nan 8.230 nan 0.000 0.431 355 A N -0.591 122.186 122.820 -0.072 0.000 1.873 355 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 355 A C 1.989 179.557 177.584 -0.026 0.000 1.193 355 A CA 2.293 54.309 52.037 -0.036 0.000 0.629 355 A CB -1.228 17.755 19.000 -0.029 0.000 0.826 355 A HN 0.584 nan 8.150 nan 0.000 0.447 356 D N -0.856 119.525 120.400 -0.031 0.000 2.144 356 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 356 D C 1.735 178.027 176.300 -0.015 0.000 0.984 356 D CA 1.163 55.150 54.000 -0.022 0.000 0.834 356 D CB -0.229 40.556 40.800 -0.025 0.000 0.955 356 D HN 0.356 nan 8.370 nan 0.000 0.465 357 L N 0.755 121.970 121.223 -0.013 0.000 2.093 357 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 357 L C 1.672 178.541 176.870 -0.002 0.000 1.085 357 L CA 1.703 56.546 54.840 0.006 0.000 0.755 357 L CB -0.189 41.888 42.059 0.029 0.000 0.904 357 L HN -0.133 nan 8.230 nan 0.000 0.435 358 K N -1.392 119.004 120.400 -0.006 0.000 2.025 358 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 358 K C 2.088 178.682 176.600 -0.010 0.000 1.049 358 K CA 1.711 57.994 56.287 -0.006 0.000 0.933 358 K CB -0.520 31.979 32.500 -0.001 0.000 0.714 358 K HN 0.348 nan 8.250 nan 0.000 0.438 359 T N 1.125 115.673 114.554 -0.010 0.000 2.929 359 T HA -0.131 4.219 4.350 -0.000 0.000 0.271 359 T C 1.670 176.362 174.700 -0.014 0.000 1.085 359 T CA 1.091 63.185 62.100 -0.010 0.000 1.125 359 T CB -0.061 68.802 68.868 -0.008 0.000 0.874 359 T HN 0.219 nan 8.240 nan 0.000 0.494 360 M N -0.119 119.472 119.600 -0.016 0.000 2.236 360 M HA 0.021 4.501 4.480 -0.000 0.000 0.266 360 M C 1.942 178.223 176.300 -0.032 0.000 1.070 360 M CA 1.242 56.529 55.300 -0.022 0.000 1.137 360 M CB 0.025 32.614 32.600 -0.019 0.000 1.378 360 M HN 0.121 nan 8.290 nan 0.000 0.426 361 V N 1.058 120.953 119.914 -0.033 0.000 2.427 361 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 361 V C 2.020 178.093 176.094 -0.035 0.000 1.051 361 V CA 1.886 64.160 62.300 -0.044 0.000 1.048 361 V CB -0.867 30.930 31.823 -0.042 0.000 0.666 361 V HN 0.528 nan 8.190 nan 0.000 0.456 362 E N 0.789 120.975 120.200 -0.024 0.000 2.023 362 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 362 E C 1.980 178.567 176.600 -0.022 0.000 1.003 362 E CA 1.980 58.369 56.400 -0.019 0.000 0.809 362 E CB -0.349 29.344 29.700 -0.013 0.000 0.755 362 E HN 0.731 nan 8.360 nan 0.000 0.449 363 T N -0.275 114.266 114.554 -0.021 0.000 3.324 363 T HA 0.087 4.437 4.350 -0.000 0.000 0.250 363 T C 0.440 175.122 174.700 -0.029 0.000 1.059 363 T CA -0.275 61.812 62.100 -0.022 0.000 0.951 363 T CB -0.139 68.718 68.868 -0.017 0.000 1.030 363 T HN -0.048 nan 8.240 nan 0.000 0.576 364 K N 2.157 122.535 120.400 -0.036 0.000 2.491 364 K HA 0.016 4.336 4.320 -0.000 0.000 0.279 364 K C -0.475 176.097 176.600 -0.047 0.000 1.026 364 K CA 0.289 56.548 56.287 -0.048 0.000 1.070 364 K CB 0.316 32.780 32.500 -0.060 0.000 0.887 364 K HN 0.299 nan 8.250 nan 0.000 0.481 365 K N 3.654 124.025 120.400 -0.050 0.000 2.240 365 K HA 0.282 4.602 4.320 -0.000 0.000 0.271 365 K C -1.148 175.418 176.600 -0.058 0.000 1.018 365 K CA -0.725 55.534 56.287 -0.047 0.000 0.874 365 K CB 2.046 34.522 32.500 -0.041 0.000 1.098 365 K HN 0.328 nan 8.250 nan 0.000 0.458 366 V N 3.233 123.113 119.914 -0.055 0.000 2.656 366 V HA 0.301 4.421 4.120 -0.000 0.000 0.307 366 V C -0.044 176.019 176.094 -0.053 0.000 1.051 366 V CA -0.465 61.797 62.300 -0.062 0.000 0.893 366 V CB 1.986 33.770 31.823 -0.065 0.000 0.999 366 V HN 0.970 nan 8.190 nan 0.000 0.426 367 T N 2.900 117.421 114.554 -0.055 0.000 2.734 367 T HA 0.101 4.451 4.350 -0.000 0.000 0.314 367 T C 1.477 176.152 174.700 -0.042 0.000 1.057 367 T CA 0.309 62.381 62.100 -0.046 0.000 1.047 367 T CB 0.776 69.615 68.868 -0.049 0.000 0.991 367 T HN 1.247 nan 8.240 nan 0.000 0.540 368 S N -0.106 115.573 115.700 -0.035 0.000 2.447 368 S HA -0.064 4.406 4.470 -0.000 0.000 0.233 368 S C 1.722 176.303 174.600 -0.032 0.000 1.006 368 S CA 0.573 58.754 58.200 -0.031 0.000 0.957 368 S CB -0.677 62.507 63.200 -0.026 0.000 0.773 368 S HN 0.643 nan 8.310 nan 0.000 0.507 369 S N 0.772 116.451 115.700 -0.035 0.000 2.710 369 S HA 0.461 4.931 4.470 -0.000 0.000 0.224 369 S C 1.604 176.180 174.600 -0.041 0.000 0.948 369 S CA 0.299 58.478 58.200 -0.035 0.000 0.949 369 S CB -0.370 62.810 63.200 -0.033 0.000 0.778 369 S HN 0.989 nan 8.310 nan 0.000 0.498 370 G N 0.895 109.668 108.800 -0.046 0.000 2.347 370 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.247 370 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.247 370 G C 0.299 175.159 174.900 -0.067 0.000 1.037 370 G CA 0.197 45.265 45.100 -0.054 0.000 0.622 370 G HN 0.466 nan 8.290 nan 0.000 0.521 371 V N 2.679 122.554 119.914 -0.066 0.000 2.655 371 V HA 0.349 4.469 4.120 -0.000 0.000 0.300 371 V C 1.543 177.581 176.094 -0.094 0.000 1.044 371 V CA -0.155 62.097 62.300 -0.079 0.000 1.095 371 V CB 1.355 33.135 31.823 -0.072 0.000 0.952 371 V HN 0.442 nan 8.190 nan 0.000 0.485 372 L N 4.625 125.779 121.223 -0.116 0.000 2.483 372 L HA 0.206 4.546 4.340 -0.000 0.000 0.276 372 L C -0.034 176.759 176.870 -0.128 0.000 1.213 372 L CA 0.293 55.056 54.840 -0.128 0.000 0.843 372 L CB 0.471 42.436 42.059 -0.157 0.000 1.107 372 L HN 0.530 nan 8.230 nan 0.000 0.487 373 L N 5.273 126.430 121.223 -0.109 0.000 2.343 373 L HA 0.456 4.796 4.340 -0.000 0.000 0.278 373 L C -1.103 175.711 176.870 -0.094 0.000 0.996 373 L CA -0.470 54.311 54.840 -0.099 0.000 0.831 373 L CB 1.011 43.027 42.059 -0.072 0.000 1.232 373 L HN 0.512 nan 8.230 nan 0.000 0.413 374 L N 4.676 125.833 121.223 -0.110 0.000 2.384 374 L HA 0.297 4.637 4.340 -0.000 0.000 0.261 374 L C -0.542 176.294 176.870 -0.057 0.000 1.024 374 L CA -0.625 54.163 54.840 -0.086 0.000 0.899 374 L CB 1.216 43.207 42.059 -0.113 0.000 1.243 374 L HN 0.585 nan 8.230 nan 0.000 0.449 375 D N -0.040 120.340 120.400 -0.033 0.000 3.060 375 D HA 0.148 4.788 4.640 -0.000 0.000 0.245 375 D C -0.062 176.245 176.300 0.012 0.000 1.274 375 D CA -0.167 53.826 54.000 -0.011 0.000 0.864 375 D CB 0.179 40.972 40.800 -0.013 0.000 1.073 375 D HN 0.175 nan 8.370 nan 0.000 0.473 376 N N -0.272 118.442 118.700 0.023 0.000 2.446 376 N HA 0.009 4.749 4.740 -0.000 0.000 0.272 376 N C -0.885 174.672 175.510 0.079 0.000 1.127 376 N CA -0.594 52.489 53.050 0.053 0.000 0.896 376 N CB 0.936 39.440 38.487 0.028 0.000 1.658 376 N HN 0.039 nan 8.380 nan 0.000 0.483 377 Y N 2.824 123.144 120.300 0.033 0.000 2.163 377 Y HA -0.101 4.448 4.550 -0.000 0.000 0.288 377 Y C 1.937 177.870 175.900 0.055 0.000 1.136 377 Y CA 2.401 60.531 58.100 0.050 0.000 1.147 377 Y CB -0.414 38.069 38.460 0.039 0.000 0.987 377 Y HN 0.582 nan 8.280 nan 0.000 0.509 378 T N 0.743 115.247 114.554 -0.084 0.000 2.699 378 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 378 T C 1.430 176.033 174.700 -0.161 0.000 1.036 378 T CA 1.842 63.856 62.100 -0.144 0.000 1.147 378 T CB -0.388 68.484 68.868 0.007 0.000 0.862 378 T HN 0.471 nan 8.240 nan 0.000 0.446 379 D N 0.551 120.900 120.400 -0.086 0.000 2.123 379 D HA -0.005 4.635 4.640 -0.000 0.000 0.200 379 D C 2.456 178.737 176.300 -0.032 0.000 0.976 379 D CA 0.773 54.744 54.000 -0.049 0.000 0.831 379 D CB -0.178 40.606 40.800 -0.027 0.000 0.974 379 D HN 0.327 nan 8.370 nan 0.000 0.469 380 R N 0.203 120.681 120.500 -0.036 0.000 2.083 380 R HA -0.124 4.216 4.340 -0.000 0.000 0.237 380 R C 2.319 178.662 176.300 0.072 0.000 1.137 380 R CA 0.732 56.899 56.100 0.113 0.000 0.951 380 R CB -0.346 30.046 30.300 0.153 0.000 0.851 380 R HN 0.126 nan 8.270 nan 0.000 0.434 381 I N 1.196 121.634 120.570 -0.220 0.000 2.493 381 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 381 I C 2.336 178.391 176.117 -0.103 0.000 1.160 381 I CA 1.365 62.531 61.300 -0.223 0.000 1.445 381 I CB -0.270 37.449 38.000 -0.468 0.000 1.086 381 I HN 0.168 nan 8.210 nan 0.000 0.433 382 Q N -0.311 119.439 119.800 -0.083 0.000 2.084 382 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 382 Q C 2.159 178.183 176.000 0.041 0.000 0.978 382 Q CA 2.131 57.918 55.803 -0.025 0.000 0.844 382 Q CB 0.014 28.738 28.738 -0.024 0.000 0.898 382 Q HN 0.419 nan 8.270 nan 0.000 0.426 383 V N 0.958 120.931 119.914 0.098 0.000 2.307 383 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 383 V C 2.306 178.512 176.094 0.186 0.000 1.045 383 V CA 1.409 63.836 62.300 0.211 0.000 1.024 383 V CB -0.451 31.556 31.823 0.307 0.000 0.651 383 V HN 0.400 nan 8.190 nan 0.000 0.449 384 L N -0.356 120.901 121.223 0.056 0.000 2.131 384 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 384 L C 2.700 179.540 176.870 -0.049 0.000 1.092 384 L CA 1.646 56.430 54.840 -0.094 0.000 0.759 384 L CB -0.598 41.337 42.059 -0.207 0.000 0.903 384 L HN 0.280 nan 8.230 nan 0.000 0.435 385 R N 0.323 120.811 120.500 -0.019 0.000 2.073 385 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 385 R C 2.085 178.378 176.300 -0.012 0.000 1.134 385 R CA 1.520 57.608 56.100 -0.020 0.000 0.952 385 R CB -0.071 30.215 30.300 -0.022 0.000 0.850 385 R HN 0.417 nan 8.270 nan 0.000 0.433 386 N N 0.418 119.131 118.700 0.021 0.000 2.270 386 N HA -0.170 4.570 4.740 -0.000 0.000 0.181 386 N C 1.765 177.169 175.510 -0.177 0.000 1.016 386 N CA 1.129 54.190 53.050 0.019 0.000 0.870 386 N CB -0.063 38.499 38.487 0.125 0.000 0.979 386 N HN 0.349 nan 8.380 nan 0.000 0.431 387 M N 0.788 120.269 119.600 -0.198 0.000 2.067 387 M HA -0.122 4.358 4.480 -0.000 0.000 0.260 387 M C 1.798 177.890 176.300 -0.346 0.000 1.069 387 M CA 1.388 56.408 55.300 -0.467 0.000 1.117 387 M CB 0.012 32.516 32.600 -0.161 0.000 1.334 387 M HN -0.157 nan 8.290 nan 0.000 0.407 388 V N -0.052 119.753 119.914 -0.183 0.000 2.407 388 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 388 V C 2.355 178.363 176.094 -0.143 0.000 1.055 388 V CA 2.255 64.459 62.300 -0.161 0.000 1.049 388 V CB -1.287 30.465 31.823 -0.119 0.000 0.662 388 V HN 0.610 nan 8.190 nan 0.000 0.455 389 H N -0.469 118.476 119.070 -0.209 0.000 2.357 389 H HA -0.162 4.394 4.556 -0.000 0.000 0.301 389 H C 2.236 177.428 175.328 -0.227 0.000 1.082 389 H CA 2.167 58.121 56.048 -0.157 0.000 1.342 389 H CB -0.559 29.141 29.762 -0.104 0.000 1.389 389 H HN 0.411 nan 8.280 nan 0.000 0.511 390 C N 0.352 119.346 119.300 -0.509 0.000 2.446 390 C HA 0.040 4.500 4.460 -0.000 0.000 0.277 390 C C 3.102 177.924 174.990 -0.279 0.000 1.275 390 C CA 0.927 59.461 59.018 -0.807 0.000 1.727 390 C CB -1.294 25.494 27.740 -1.587 0.000 2.010 390 C HN 0.776 nan 8.230 nan 0.000 0.486 391 A N 0.448 123.148 122.820 -0.199 0.000 1.902 391 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 391 A C 1.841 179.375 177.584 -0.083 0.000 1.181 391 A CA 2.349 54.362 52.037 -0.041 0.000 0.623 391 A CB -0.728 18.205 19.000 -0.112 0.000 0.818 391 A HN 0.571 nan 8.150 nan 0.000 0.443 392 D N -0.445 119.880 120.400 -0.125 0.000 2.178 392 D HA -0.061 4.579 4.640 -0.000 0.000 0.201 392 D C 0.977 177.322 176.300 0.074 0.000 0.980 392 D CA 0.847 54.838 54.000 -0.015 0.000 0.842 392 D CB -0.108 40.714 40.800 0.038 0.000 0.948 392 D HN 0.392 nan 8.370 nan 0.000 0.472 393 L N 0.447 121.670 121.223 -0.001 0.000 3.073 393 L HA 0.247 4.587 4.340 -0.000 0.000 0.242 393 L C 1.163 178.179 176.870 0.243 0.000 1.317 393 L CA -0.121 54.767 54.840 0.081 0.000 1.081 393 L CB 0.332 42.335 42.059 -0.093 0.000 1.456 393 L HN 0.019 nan 8.230 nan 0.000 0.525 394 S N -2.925 112.887 115.700 0.187 0.000 2.511 394 S HA 0.015 4.485 4.470 -0.000 0.000 0.214 394 S C 1.446 176.023 174.600 -0.038 0.000 0.997 394 S CA -0.238 58.095 58.200 0.222 0.000 0.908 394 S CB 0.022 63.358 63.200 0.226 0.000 0.803 394 S HN 0.394 nan 8.310 nan 0.000 0.504 395 N N 3.590 122.232 118.700 -0.097 0.000 2.037 395 N HA -0.060 4.680 4.740 -0.000 0.000 0.196 395 N C -1.227 174.145 175.510 -0.231 0.000 1.034 395 N CA 1.750 54.747 53.050 -0.090 0.000 0.861 395 N CB -1.860 36.640 38.487 0.021 0.000 1.039 395 N HN 0.403 nan 8.380 nan 0.000 0.427 396 P HA -0.000 nan 4.420 nan 0.000 0.234 396 P C 0.819 177.793 177.300 -0.545 0.000 1.167 396 P CA 1.129 63.561 63.100 -1.114 0.000 0.763 396 P CB -0.134 31.141 31.700 -0.710 0.000 0.835 397 T N -5.383 108.975 114.554 -0.327 0.000 3.069 397 T HA 0.180 4.530 4.350 -0.000 0.000 0.252 397 T C 0.812 175.556 174.700 0.073 0.000 1.053 397 T CA -0.160 61.809 62.100 -0.218 0.000 0.964 397 T CB -0.152 68.436 68.868 -0.468 0.000 1.005 397 T HN -0.173 nan 8.240 nan 0.000 0.532 398 K N 2.585 123.007 120.400 0.038 0.000 2.148 398 K HA 0.471 4.791 4.320 -0.000 0.000 0.239 398 K C 0.610 177.276 176.600 0.110 0.000 1.018 398 K CA -0.394 55.947 56.287 0.090 0.000 0.923 398 K CB 1.168 33.715 32.500 0.078 0.000 1.117 398 K HN 0.442 nan 8.250 nan 0.000 0.477 399 S N 0.299 116.057 115.700 0.097 0.000 2.563 399 S HA -0.059 4.411 4.470 -0.000 0.000 0.284 399 S C 1.386 176.020 174.600 0.057 0.000 1.331 399 S CA -0.474 57.761 58.200 0.058 0.000 1.047 399 S CB 0.285 63.501 63.200 0.027 0.000 0.859 399 S HN 0.543 nan 8.310 nan 0.000 0.514 400 L N 1.890 123.106 121.223 -0.012 0.000 2.051 400 L HA -0.170 4.170 4.340 -0.000 0.000 0.214 400 L C 2.587 179.345 176.870 -0.187 0.000 1.076 400 L CA 2.595 57.366 54.840 -0.115 0.000 0.758 400 L CB -1.270 40.579 42.059 -0.350 0.000 0.890 400 L HN 1.045 nan 8.230 nan 0.000 0.433 401 E N -0.791 119.297 120.200 -0.187 0.000 2.114 401 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 401 E C 2.131 178.607 176.600 -0.207 0.000 1.008 401 E CA 1.971 58.242 56.400 -0.216 0.000 0.810 401 E CB -0.226 29.373 29.700 -0.168 0.000 0.739 401 E HN 0.645 nan 8.360 nan 0.000 0.456 402 L N -0.375 120.805 121.223 -0.073 0.000 2.049 402 L HA -0.121 4.219 4.340 -0.000 0.000 0.203 402 L C 2.621 179.553 176.870 0.104 0.000 1.074 402 L CA 0.914 55.744 54.840 -0.017 0.000 0.749 402 L CB -0.748 41.424 42.059 0.187 0.000 0.907 402 L HN 0.252 nan 8.230 nan 0.000 0.439 403 Y N 1.724 122.100 120.300 0.126 0.000 2.139 403 Y HA -0.287 4.262 4.550 -0.000 0.000 0.282 403 Y C 2.725 178.739 175.900 0.191 0.000 1.179 403 Y CA 1.496 59.756 58.100 0.265 0.000 1.161 403 Y CB -0.472 38.106 38.460 0.197 0.000 0.970 403 Y HN 0.054 nan 8.280 nan 0.000 0.511 404 R N -0.172 120.292 120.500 -0.060 0.000 2.096 404 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 404 R C 2.240 178.472 176.300 -0.113 0.000 1.127 404 R CA 1.739 57.738 56.100 -0.169 0.000 0.968 404 R CB -0.318 29.782 30.300 -0.334 0.000 0.861 404 R HN 0.566 nan 8.270 nan 0.000 0.440 405 Q N -0.921 118.734 119.800 -0.241 0.000 2.123 405 Q HA -0.162 4.178 4.340 -0.000 0.000 0.199 405 Q C 1.837 177.776 176.000 -0.101 0.000 0.966 405 Q CA 1.363 56.938 55.803 -0.381 0.000 0.845 405 Q CB -0.084 28.042 28.738 -1.020 0.000 0.907 405 Q HN 0.468 nan 8.270 nan 0.000 0.439 406 W N 0.433 121.856 121.300 0.204 0.000 2.381 406 W HA -0.141 4.519 4.660 -0.000 0.000 0.301 406 W C 2.374 178.996 176.519 0.173 0.000 1.205 406 W CA 0.940 58.469 57.345 0.306 0.000 1.285 406 W CB -0.123 29.574 29.460 0.395 0.000 1.133 406 W HN 0.074 nan 8.180 nan 0.000 0.521 407 T N -0.032 114.703 114.554 0.301 0.000 2.746 407 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 407 T C 1.075 175.760 174.700 -0.025 0.000 1.039 407 T CA 1.697 63.828 62.100 0.050 0.000 1.142 407 T CB -0.494 68.345 68.868 -0.049 0.000 0.866 407 T HN 0.064 nan 8.240 nan 0.000 0.444 408 D N 0.869 121.279 120.400 0.016 0.000 2.178 408 D HA -0.031 4.609 4.640 -0.000 0.000 0.201 408 D C 2.364 178.666 176.300 0.003 0.000 0.980 408 D CA 0.898 54.892 54.000 -0.009 0.000 0.842 408 D CB -0.153 40.637 40.800 -0.017 0.000 0.948 408 D HN 0.333 nan 8.370 nan 0.000 0.472 409 R N -0.075 120.480 120.500 0.092 0.000 2.062 409 R HA -0.026 4.314 4.340 -0.000 0.000 0.229 409 R C 2.291 178.651 176.300 0.100 0.000 1.128 409 R CA 0.418 56.615 56.100 0.162 0.000 0.960 409 R CB -0.265 30.237 30.300 0.336 0.000 0.855 409 R HN 0.087 nan 8.270 nan 0.000 0.432 410 I N 0.471 121.030 120.570 -0.019 0.000 2.394 410 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 410 I C 1.721 177.571 176.117 -0.446 0.000 1.136 410 I CA 1.488 62.548 61.300 -0.399 0.000 1.425 410 I CB 0.041 37.532 38.000 -0.848 0.000 1.079 410 I HN 0.130 nan 8.210 nan 0.000 0.425 411 M N -0.394 118.936 119.600 -0.450 0.000 2.200 411 M HA -0.147 4.333 4.480 -0.000 0.000 0.265 411 M C 2.205 178.150 176.300 -0.591 0.000 1.066 411 M CA 1.358 56.243 55.300 -0.691 0.000 1.127 411 M CB -1.401 30.834 32.600 -0.609 0.000 1.379 411 M HN 0.363 nan 8.290 nan 0.000 0.420 412 E N 0.345 120.423 120.200 -0.204 0.000 2.077 412 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 412 E C 1.933 178.557 176.600 0.040 0.000 0.989 412 E CA 1.324 57.722 56.400 -0.004 0.000 0.800 412 E CB 0.078 29.808 29.700 0.051 0.000 0.746 412 E HN 0.574 nan 8.360 nan 0.000 0.452 413 E N -0.691 119.535 120.200 0.043 0.000 2.072 413 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 413 E C 1.831 178.513 176.600 0.137 0.000 0.985 413 E CA 0.841 57.307 56.400 0.111 0.000 0.801 413 E CB -0.095 29.704 29.700 0.164 0.000 0.750 413 E HN 0.215 nan 8.360 nan 0.000 0.452 414 F N 0.100 119.935 119.950 -0.191 0.000 2.095 414 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 414 F C 2.011 177.794 175.800 -0.029 0.000 1.104 414 F CA 1.048 58.941 58.000 -0.179 0.000 1.232 414 F CB -0.559 38.242 39.000 -0.333 0.000 0.987 414 F HN 0.122 nan 8.300 nan 0.000 0.475 415 F N 0.239 120.278 119.950 0.148 0.000 2.234 415 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 415 F C 2.416 178.227 175.800 0.018 0.000 1.087 415 F CA 0.886 58.916 58.000 0.050 0.000 1.340 415 F CB -1.517 37.489 39.000 0.009 0.000 1.031 415 F HN 0.104 nan 8.300 nan 0.000 0.500 416 Q N -0.277 119.640 119.800 0.194 0.000 2.079 416 Q HA -0.251 4.089 4.340 -0.000 0.000 0.200 416 Q C 2.270 178.287 176.000 0.028 0.000 0.974 416 Q CA 1.542 57.402 55.803 0.096 0.000 0.840 416 Q CB -0.357 28.423 28.738 0.069 0.000 0.898 416 Q HN 0.517 nan 8.270 nan 0.000 0.430 417 Q N -0.009 119.775 119.800 -0.025 0.000 2.084 417 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 417 Q C 2.031 178.030 176.000 -0.001 0.000 0.978 417 Q CA 1.508 57.230 55.803 -0.136 0.000 0.844 417 Q CB -0.272 28.319 28.738 -0.244 0.000 0.898 417 Q HN 0.427 nan 8.270 nan 0.000 0.426 418 G N 0.775 109.615 108.800 0.067 0.000 2.446 418 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 418 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 418 G C 0.962 175.919 174.900 0.094 0.000 1.168 418 G CA 1.152 46.315 45.100 0.105 0.000 0.771 418 G HN 0.397 nan 8.290 nan 0.000 0.551 419 D N 0.744 121.194 120.400 0.084 0.000 2.117 419 D HA -0.059 4.581 4.640 -0.000 0.000 0.197 419 D C 2.506 178.855 176.300 0.083 0.000 0.987 419 D CA 0.928 54.970 54.000 0.071 0.000 0.829 419 D CB -0.204 40.633 40.800 0.061 0.000 0.961 419 D HN 0.325 nan 8.370 nan 0.000 0.460 420 K N 0.715 121.166 120.400 0.085 0.000 2.032 420 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 420 K C 2.107 178.836 176.600 0.216 0.000 1.048 420 K CA 1.040 57.407 56.287 0.132 0.000 0.927 420 K CB -0.106 32.442 32.500 0.081 0.000 0.712 420 K HN 0.262 nan 8.250 nan 0.000 0.441 421 E N 0.467 120.818 120.200 0.251 0.000 2.110 421 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 421 E C 2.208 178.875 176.600 0.112 0.000 0.988 421 E CA 0.700 57.232 56.400 0.220 0.000 0.804 421 E CB -0.045 29.775 29.700 0.200 0.000 0.745 421 E HN 0.202 nan 8.360 nan 0.000 0.458 422 R N 1.653 122.210 120.500 0.096 0.000 2.070 422 R HA -0.185 4.155 4.340 -0.000 0.000 0.233 422 R C 1.774 178.109 176.300 0.058 0.000 1.137 422 R CA 1.754 57.893 56.100 0.067 0.000 0.945 422 R CB -0.192 30.145 30.300 0.062 0.000 0.845 422 R HN 0.210 nan 8.270 nan 0.000 0.430 423 E N 0.093 120.334 120.200 0.068 0.000 2.209 423 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 423 E C 1.477 178.108 176.600 0.051 0.000 0.993 423 E CA 1.091 57.525 56.400 0.058 0.000 0.819 423 E CB -0.065 29.674 29.700 0.065 0.000 0.745 423 E HN 0.372 nan 8.360 nan 0.000 0.477 424 R N -0.275 120.260 120.500 0.058 0.000 2.515 424 R HA 0.160 4.500 4.340 -0.000 0.000 0.294 424 R C 0.782 177.085 176.300 0.005 0.000 1.021 424 R CA 0.369 56.488 56.100 0.030 0.000 1.081 424 R CB 0.634 30.952 30.300 0.029 0.000 1.263 424 R HN 0.196 nan 8.270 nan 0.000 0.557 425 G N 1.476 110.284 108.800 0.014 0.000 2.180 425 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.263 425 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.263 425 G C 0.253 175.150 174.900 -0.005 0.000 0.989 425 G CA 0.488 45.590 45.100 0.004 0.000 0.692 425 G HN 0.251 nan 8.290 nan 0.000 0.526 426 M N -0.362 119.236 119.600 -0.004 0.000 2.291 426 M HA 0.420 4.900 4.480 -0.000 0.000 0.324 426 M C 1.284 177.590 176.300 0.011 0.000 1.148 426 M CA -0.322 54.968 55.300 -0.016 0.000 1.104 426 M CB 0.904 33.480 32.600 -0.040 0.000 1.483 426 M HN 0.309 nan 8.290 nan 0.000 0.467 427 E N 1.294 121.498 120.200 0.007 0.000 2.148 427 E HA 0.032 4.382 4.350 -0.000 0.000 0.259 427 E C -0.560 176.063 176.600 0.040 0.000 0.874 427 E CA 0.862 57.274 56.400 0.020 0.000 1.367 427 E CB 0.480 30.188 29.700 0.014 0.000 0.891 427 E HN 0.410 nan 8.360 nan 0.000 0.598 428 I N 0.387 120.984 120.570 0.045 0.000 2.758 428 I HA 0.029 4.199 4.170 -0.000 0.000 0.283 428 I C -0.995 175.157 176.117 0.057 0.000 1.566 428 I CA -0.208 61.129 61.300 0.062 0.000 1.084 428 I CB 1.342 39.380 38.000 0.064 0.000 1.469 428 I HN 0.222 nan 8.210 nan 0.000 0.422 429 S N 6.684 122.417 115.700 0.056 0.000 2.593 429 S HA 0.410 4.880 4.470 -0.000 0.000 0.269 429 S C -2.343 172.292 174.600 0.058 0.000 1.334 429 S CA -0.741 57.481 58.200 0.036 0.000 1.015 429 S CB 0.434 63.628 63.200 -0.009 0.000 0.912 429 S HN 0.345 nan 8.310 nan 0.000 0.541 430 P HA 0.112 nan 4.420 nan 0.000 0.265 430 P C 0.149 177.546 177.300 0.162 0.000 1.193 430 P CA 0.495 63.654 63.100 0.098 0.000 0.765 430 P CB 0.024 31.775 31.700 0.086 0.000 0.823 431 M N -0.180 119.530 119.600 0.183 0.000 2.856 431 M HA -0.265 4.215 4.480 -0.000 0.000 0.189 431 M C 0.109 176.634 176.300 0.374 0.000 0.612 431 M CA 0.542 55.991 55.300 0.249 0.000 0.673 431 M CB -2.525 30.201 32.600 0.210 0.000 2.440 431 M HN 0.364 nan 8.290 nan 0.000 0.437 432 C N -0.340 119.144 119.300 0.308 0.000 3.038 432 C HA 0.162 4.622 4.460 -0.000 0.000 0.279 432 C C 1.001 176.208 174.990 0.362 0.000 1.276 432 C CA -0.305 58.915 59.018 0.337 0.000 1.697 432 C CB -0.177 27.636 27.740 0.121 0.000 2.032 432 C HN 0.459 nan 8.230 nan 0.000 0.636 433 D N 1.694 122.240 120.400 0.242 0.000 2.411 433 D HA 0.050 4.690 4.640 -0.000 0.000 0.225 433 D C 1.108 177.297 176.300 -0.185 0.000 1.156 433 D CA 0.084 54.119 54.000 0.059 0.000 0.874 433 D CB 0.632 41.469 40.800 0.061 0.000 1.034 433 D HN 0.301 nan 8.370 nan 0.000 0.502 434 K N 3.126 123.117 120.400 -0.681 0.000 2.286 434 K HA -0.202 4.118 4.320 -0.000 0.000 0.203 434 K C 0.919 176.945 176.600 -0.957 0.000 1.045 434 K CA 1.333 56.653 56.287 -1.611 0.000 0.935 434 K CB 0.174 31.793 32.500 -1.469 0.000 0.737 434 K HN 0.514 nan 8.250 nan 0.000 0.460 435 H N -1.420 117.470 119.070 -0.300 0.000 2.516 435 H HA 0.034 4.590 4.556 -0.000 0.000 0.284 435 H C 1.655 176.933 175.328 -0.083 0.000 0.999 435 H CA 1.588 57.539 56.048 -0.162 0.000 1.303 435 H CB 0.503 30.200 29.762 -0.108 0.000 1.452 435 H HN 0.382 nan 8.280 nan 0.000 0.530 436 T N -1.895 112.686 114.554 0.045 0.000 3.054 436 T HA 0.508 4.858 4.350 -0.000 0.000 0.255 436 T C 0.828 175.568 174.700 0.067 0.000 1.035 436 T CA -0.142 61.992 62.100 0.056 0.000 0.941 436 T CB 0.071 68.975 68.868 0.060 0.000 1.026 436 T HN 0.242 nan 8.240 nan 0.000 0.533 437 A N 1.199 124.066 122.820 0.078 0.000 2.301 437 A HA 0.686 5.006 4.320 -0.000 0.000 0.298 437 A C 0.266 177.940 177.584 0.149 0.000 1.185 437 A CA -0.638 51.494 52.037 0.159 0.000 0.830 437 A CB 0.879 20.085 19.000 0.344 0.000 1.112 437 A HN 0.315 nan 8.150 nan 0.000 0.508 438 S N 2.792 118.559 115.700 0.112 0.000 2.423 438 S HA 0.303 4.773 4.470 -0.000 0.000 0.317 438 S C 1.157 175.795 174.600 0.063 0.000 1.065 438 S CA -0.675 57.576 58.200 0.085 0.000 1.111 438 S CB 0.155 63.391 63.200 0.061 0.000 0.968 438 S HN 0.580 nan 8.310 nan 0.000 0.474 439 V N 5.465 125.422 119.914 0.071 0.000 2.287 439 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 439 V C 2.256 178.301 176.094 -0.082 0.000 1.053 439 V CA 2.133 64.424 62.300 -0.015 0.000 1.027 439 V CB -0.801 31.037 31.823 0.024 0.000 0.646 439 V HN 0.726 nan 8.190 nan 0.000 0.447 440 E N 0.235 120.440 120.200 0.009 0.000 2.051 440 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 440 E C 2.212 178.817 176.600 0.008 0.000 0.991 440 E CA 1.215 57.642 56.400 0.045 0.000 0.799 440 E CB -0.339 29.446 29.700 0.141 0.000 0.748 440 E HN 0.548 nan 8.360 nan 0.000 0.449 441 K N 0.284 120.700 120.400 0.027 0.000 2.063 441 K HA -0.079 4.241 4.320 -0.000 0.000 0.208 441 K C 2.362 178.984 176.600 0.037 0.000 1.048 441 K CA 1.443 57.755 56.287 0.043 0.000 0.928 441 K CB -0.201 32.331 32.500 0.053 0.000 0.713 441 K HN -0.028 nan 8.250 nan 0.000 0.442 442 S N 1.020 116.721 115.700 0.002 0.000 2.370 442 S HA -0.158 4.312 4.470 -0.000 0.000 0.226 442 S C 1.921 176.520 174.600 -0.001 0.000 1.033 442 S CA 1.134 59.329 58.200 -0.008 0.000 1.011 442 S CB -0.157 62.992 63.200 -0.085 0.000 0.852 442 S HN 0.261 nan 8.310 nan 0.000 0.457 443 Q N 0.686 120.422 119.800 -0.106 0.000 2.084 443 Q HA -0.024 4.316 4.340 -0.000 0.000 0.202 443 Q C 2.459 178.521 176.000 0.103 0.000 0.978 443 Q CA 0.989 56.757 55.803 -0.059 0.000 0.844 443 Q CB -0.888 27.526 28.738 -0.539 0.000 0.898 443 Q HN 0.440 nan 8.270 nan 0.000 0.426 444 V N 0.317 120.271 119.914 0.066 0.000 2.343 444 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 444 V C 2.310 178.430 176.094 0.044 0.000 1.051 444 V CA 1.974 64.325 62.300 0.085 0.000 1.036 444 V CB -1.228 30.640 31.823 0.075 0.000 0.654 444 V HN 0.441 nan 8.190 nan 0.000 0.451 445 G N -0.855 108.004 108.800 0.098 0.000 2.418 445 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 445 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 445 G C 1.539 176.574 174.900 0.225 0.000 1.158 445 G CA 0.921 46.120 45.100 0.165 0.000 0.771 445 G HN 0.448 nan 8.290 nan 0.000 0.545 446 F N 1.674 121.658 119.950 0.057 0.000 2.126 446 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 446 F C 2.421 178.246 175.800 0.042 0.000 1.096 446 F CA 0.995 59.022 58.000 0.045 0.000 1.255 446 F CB -0.337 38.658 39.000 -0.009 0.000 0.997 446 F HN 0.131 nan 8.300 nan 0.000 0.479 447 I N -0.035 120.511 120.570 -0.041 0.000 2.163 447 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 447 I C 2.141 178.197 176.117 -0.102 0.000 1.081 447 I CA 1.551 62.773 61.300 -0.129 0.000 1.353 447 I CB -0.660 37.341 38.000 0.002 0.000 1.054 447 I HN 0.023 nan 8.210 nan 0.000 0.407 448 D N 0.330 120.610 120.400 -0.200 0.000 2.117 448 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 448 D C 1.906 178.007 176.300 -0.331 0.000 0.987 448 D CA 1.783 55.558 54.000 -0.375 0.000 0.829 448 D CB -0.205 40.176 40.800 -0.698 0.000 0.961 448 D HN 0.409 nan 8.370 nan 0.000 0.460 449 Y N -0.576 119.767 120.300 0.072 0.000 2.497 449 Y HA 0.293 4.843 4.550 -0.000 0.000 0.265 449 Y C 2.046 178.008 175.900 0.103 0.000 1.111 449 Y CA -0.051 58.106 58.100 0.095 0.000 1.288 449 Y CB 0.375 38.896 38.460 0.102 0.000 1.082 449 Y HN -0.053 nan 8.280 nan 0.000 0.536 450 I N -2.618 118.019 120.570 0.112 0.000 3.669 450 I HA -0.041 4.129 4.170 -0.000 0.000 0.255 450 I C 1.737 177.787 176.117 -0.112 0.000 1.144 450 I CA 0.235 61.518 61.300 -0.028 0.000 1.447 450 I CB -0.268 37.623 38.000 -0.183 0.000 1.622 450 I HN -0.270 nan 8.210 nan 0.000 0.435 451 V N 1.534 121.241 119.914 -0.346 0.000 2.295 451 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 451 V C 2.479 178.633 176.094 0.100 0.000 1.049 451 V CA 2.296 64.474 62.300 -0.203 0.000 1.024 451 V CB -1.019 30.548 31.823 -0.427 0.000 0.648 451 V HN 0.492 nan 8.190 nan 0.000 0.447 452 H N 0.998 120.066 119.070 -0.005 0.000 2.326 452 H HA -0.083 4.473 4.556 -0.000 0.000 0.301 452 H C 0.024 175.418 175.328 0.110 0.000 1.081 452 H CA 2.159 58.247 56.048 0.066 0.000 1.334 452 H CB -1.028 28.735 29.762 0.002 0.000 1.385 452 H HN 0.311 nan 8.280 nan 0.000 0.504 453 P HA -0.157 nan 4.420 nan 0.000 0.216 453 P C 1.921 179.274 177.300 0.090 0.000 1.150 453 P CA 1.015 64.216 63.100 0.168 0.000 0.843 453 P CB -0.157 31.668 31.700 0.208 0.000 0.787 454 L N -1.806 119.475 121.223 0.097 0.000 2.005 454 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 454 L C 2.052 178.892 176.870 -0.050 0.000 1.072 454 L CA 1.736 56.585 54.840 0.016 0.000 0.744 454 L CB -1.454 40.592 42.059 -0.021 0.000 0.895 454 L HN -0.060 nan 8.230 nan 0.000 0.433 455 W N 0.690 121.957 121.300 -0.054 0.000 2.425 455 W HA -0.142 4.518 4.660 -0.000 0.000 0.277 455 W C 2.481 178.969 176.519 -0.051 0.000 1.231 455 W CA 1.253 58.572 57.345 -0.044 0.000 1.248 455 W CB -0.098 29.290 29.460 -0.121 0.000 1.117 455 W HN 0.457 nan 8.180 nan 0.000 0.568 456 E N -1.254 118.959 120.200 0.022 0.000 2.216 456 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 456 E C 1.625 178.242 176.600 0.030 0.000 0.988 456 E CA 1.560 57.932 56.400 -0.047 0.000 0.834 456 E CB -0.660 28.918 29.700 -0.204 0.000 0.772 456 E HN 0.025 nan 8.360 nan 0.000 0.479 457 T N 0.535 115.120 114.554 0.052 0.000 2.896 457 T HA -0.118 4.232 4.350 -0.000 0.000 0.263 457 T C 1.114 175.853 174.700 0.066 0.000 1.050 457 T CA 0.927 63.054 62.100 0.046 0.000 1.140 457 T CB -0.350 68.544 68.868 0.043 0.000 0.877 457 T HN 0.413 nan 8.240 nan 0.000 0.457 458 W N 2.194 123.444 121.300 -0.085 0.000 2.381 458 W HA -0.073 4.587 4.660 -0.000 0.000 0.301 458 W C 2.394 178.898 176.519 -0.026 0.000 1.205 458 W CA 1.156 58.443 57.345 -0.097 0.000 1.285 458 W CB -0.443 28.878 29.460 -0.233 0.000 1.133 458 W HN 0.281 nan 8.180 nan 0.000 0.521 459 A N 0.563 123.456 122.820 0.122 0.000 1.908 459 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 459 A C 1.872 179.394 177.584 -0.103 0.000 1.181 459 A CA 2.172 54.217 52.037 0.013 0.000 0.627 459 A CB -1.343 17.705 19.000 0.079 0.000 0.818 459 A HN 0.353 nan 8.150 nan 0.000 0.445 460 D N -0.333 120.023 120.400 -0.072 0.000 2.123 460 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 460 D C 1.839 178.050 176.300 -0.148 0.000 0.992 460 D CA 1.534 55.484 54.000 -0.084 0.000 0.833 460 D CB -0.185 40.587 40.800 -0.048 0.000 0.954 460 D HN 0.298 nan 8.370 nan 0.000 0.455 461 L N 0.609 121.696 121.223 -0.226 0.000 2.093 461 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 461 L C 1.823 178.474 176.870 -0.365 0.000 1.085 461 L CA 1.313 55.972 54.840 -0.302 0.000 0.755 461 L CB -0.147 41.670 42.059 -0.402 0.000 0.904 461 L HN 0.084 nan 8.230 nan 0.000 0.435 462 V N -2.643 116.995 119.914 -0.460 0.000 2.982 462 V HA 0.291 4.411 4.120 -0.000 0.000 0.368 462 V C 0.396 176.363 176.094 -0.213 0.000 1.350 462 V CA -0.737 61.339 62.300 -0.373 0.000 1.251 462 V CB -1.013 30.510 31.823 -0.501 0.000 1.284 462 V HN 0.346 nan 8.190 nan 0.000 0.533 463 Q N 3.226 122.928 119.800 -0.163 0.000 2.308 463 Q HA 0.103 4.443 4.340 -0.000 0.000 0.313 463 Q C -1.571 174.378 176.000 -0.086 0.000 1.075 463 Q CA 0.230 55.971 55.803 -0.103 0.000 0.995 463 Q CB 0.722 29.410 28.738 -0.082 0.000 1.107 463 Q HN 0.516 nan 8.270 nan 0.000 0.380 464 P HA 0.146 nan 4.420 nan 0.000 0.288 464 P C -0.784 176.483 177.300 -0.055 0.000 1.682 464 P CA -0.048 63.019 63.100 -0.056 0.000 1.270 464 P CB 0.608 32.283 31.700 -0.042 0.000 1.596 465 D N 1.659 122.020 120.400 -0.064 0.000 2.158 465 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 465 D C 1.806 178.075 176.300 -0.052 0.000 0.995 465 D CA 1.754 55.722 54.000 -0.053 0.000 0.846 465 D CB -0.338 40.435 40.800 -0.046 0.000 0.941 465 D HN 0.234 nan 8.370 nan 0.000 0.456 466 A N -0.130 122.673 122.820 -0.028 0.000 2.345 466 A HA 0.090 4.410 4.320 -0.000 0.000 0.225 466 A C 1.767 179.321 177.584 -0.049 0.000 1.243 466 A CA -0.012 52.020 52.037 -0.010 0.000 0.875 466 A CB 0.010 19.131 19.000 0.200 0.000 0.929 466 A HN -0.015 nan 8.150 nan 0.000 0.502 467 Q N 1.327 121.098 119.800 -0.049 0.000 2.061 467 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 467 Q C 0.930 176.892 176.000 -0.064 0.000 0.984 467 Q CA 2.604 58.382 55.803 -0.043 0.000 0.846 467 Q CB -0.451 28.267 28.738 -0.033 0.000 0.902 467 Q HN 0.673 nan 8.270 nan 0.000 0.421 468 D N -0.689 119.659 120.400 -0.086 0.000 2.218 468 D HA -0.090 4.550 4.640 -0.000 0.000 0.204 468 D C 1.620 177.835 176.300 -0.143 0.000 0.976 468 D CA 1.097 55.041 54.000 -0.093 0.000 0.853 468 D CB -0.005 40.743 40.800 -0.087 0.000 0.939 468 D HN 0.335 nan 8.370 nan 0.000 0.481 469 I N -0.055 120.375 120.570 -0.235 0.000 2.202 469 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 469 I C 1.759 177.722 176.117 -0.257 0.000 1.091 469 I CA 0.576 61.658 61.300 -0.364 0.000 1.368 469 I CB -0.047 37.586 38.000 -0.612 0.000 1.058 469 I HN 0.038 nan 8.210 nan 0.000 0.410 470 L N 0.537 121.664 121.223 -0.161 0.000 2.079 470 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 470 L C 2.020 178.873 176.870 -0.029 0.000 1.081 470 L CA 1.810 56.603 54.840 -0.079 0.000 0.752 470 L CB -0.922 41.123 42.059 -0.024 0.000 0.896 470 L HN 0.230 nan 8.230 nan 0.000 0.433 471 D N -1.294 119.085 120.400 -0.035 0.000 2.084 471 D HA -0.147 4.493 4.640 -0.000 0.000 0.194 471 D C 2.099 178.397 176.300 -0.004 0.000 0.990 471 D CA 1.804 55.799 54.000 -0.008 0.000 0.826 471 D CB -0.336 40.456 40.800 -0.013 0.000 0.971 471 D HN 0.264 nan 8.370 nan 0.000 0.453 472 T N 1.504 116.040 114.554 -0.029 0.000 2.720 472 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 472 T C 1.934 176.633 174.700 -0.002 0.000 1.037 472 T CA 0.636 62.730 62.100 -0.010 0.000 1.144 472 T CB -0.385 68.472 68.868 -0.017 0.000 0.864 472 T HN 0.017 nan 8.240 nan 0.000 0.444 473 L N 1.343 122.536 121.223 -0.049 0.000 2.012 473 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 473 L C 2.468 179.374 176.870 0.059 0.000 1.073 473 L CA 1.823 56.640 54.840 -0.038 0.000 0.748 473 L CB -0.621 41.384 42.059 -0.090 0.000 0.891 473 L HN 0.064 nan 8.230 nan 0.000 0.431 474 E N -0.172 120.069 120.200 0.068 0.000 2.077 474 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 474 E C 1.856 178.510 176.600 0.090 0.000 0.989 474 E CA 1.461 57.909 56.400 0.079 0.000 0.800 474 E CB -0.128 29.611 29.700 0.065 0.000 0.746 474 E HN 0.556 nan 8.360 nan 0.000 0.452 475 D N 0.465 120.915 120.400 0.083 0.000 2.084 475 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 475 D C 1.639 178.037 176.300 0.162 0.000 0.990 475 D CA 0.875 54.935 54.000 0.100 0.000 0.826 475 D CB -0.456 40.386 40.800 0.071 0.000 0.971 475 D HN 0.136 nan 8.370 nan 0.000 0.453 476 N N 0.504 119.318 118.700 0.189 0.000 2.223 476 N HA -0.148 4.592 4.740 -0.000 0.000 0.185 476 N C 1.756 177.524 175.510 0.431 0.000 1.016 476 N CA 0.438 53.685 53.050 0.328 0.000 0.863 476 N CB -0.166 38.584 38.487 0.439 0.000 0.983 476 N HN 0.251 nan 8.380 nan 0.000 0.429 477 R N 1.161 121.851 120.500 0.316 0.000 2.081 477 R HA -0.030 4.310 4.340 -0.000 0.000 0.235 477 R C 1.463 177.910 176.300 0.244 0.000 1.131 477 R CA 1.104 57.378 56.100 0.291 0.000 0.960 477 R CB -0.014 30.378 30.300 0.154 0.000 0.856 477 R HN 0.188 nan 8.270 nan 0.000 0.436 478 N N 0.192 119.002 118.700 0.183 0.000 2.069 478 N HA -0.238 4.502 4.740 -0.000 0.000 0.191 478 N C 1.376 176.963 175.510 0.127 0.000 1.031 478 N CA 1.504 54.630 53.050 0.128 0.000 0.852 478 N CB -0.626 37.925 38.487 0.107 0.000 1.018 478 N HN 0.355 nan 8.380 nan 0.000 0.423 479 W N 1.150 122.445 121.300 -0.009 0.000 2.321 479 W HA -0.191 4.469 4.660 -0.000 0.000 0.306 479 W C 1.838 178.258 176.519 -0.165 0.000 1.217 479 W CA 1.346 58.618 57.345 -0.122 0.000 1.257 479 W CB -0.549 28.780 29.460 -0.219 0.000 1.145 479 W HN 0.088 nan 8.180 nan 0.000 0.509 480 Y N -0.184 120.219 120.300 0.171 0.000 2.337 480 Y HA -0.168 4.382 4.550 -0.000 0.000 0.293 480 Y C 2.524 178.390 175.900 -0.058 0.000 1.123 480 Y CA 1.802 59.914 58.100 0.021 0.000 1.201 480 Y CB -1.196 37.348 38.460 0.139 0.000 1.011 480 Y HN 0.015 nan 8.280 nan 0.000 0.545 481 Q N 0.788 120.662 119.800 0.123 0.000 2.084 481 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 481 Q C 2.216 178.200 176.000 -0.028 0.000 0.978 481 Q CA 2.339 58.173 55.803 0.052 0.000 0.844 481 Q CB -0.549 28.219 28.738 0.050 0.000 0.898 481 Q HN 0.400 nan 8.270 nan 0.000 0.426 482 S N -1.031 114.609 115.700 -0.100 0.000 2.500 482 S HA -0.075 4.395 4.470 -0.000 0.000 0.239 482 S C 1.596 176.091 174.600 -0.175 0.000 0.989 482 S CA 1.024 59.137 58.200 -0.145 0.000 0.951 482 S CB -0.253 62.828 63.200 -0.199 0.000 0.759 482 S HN 0.452 nan 8.310 nan 0.000 0.523 483 M N 0.747 120.235 119.600 -0.186 0.000 2.428 483 M HA 0.388 4.868 4.480 -0.000 0.000 0.239 483 M C -0.344 175.920 176.300 -0.061 0.000 1.121 483 M CA 0.196 55.401 55.300 -0.158 0.000 1.019 483 M CB 0.096 32.574 32.600 -0.202 0.000 1.485 483 M HN 0.253 nan 8.290 nan 0.000 0.484 484 I N 3.158 123.707 120.570 -0.034 0.000 2.325 484 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 484 I C -1.454 174.657 176.117 -0.010 0.000 1.019 484 I CA -1.895 59.402 61.300 -0.004 0.000 1.302 484 I CB 0.695 38.705 38.000 0.016 0.000 1.401 484 I HN 0.022 nan 8.210 nan 0.000 0.485 485 P HA -0.103 nan 4.420 nan 0.000 0.272 485 P C -0.267 177.033 177.300 -0.001 0.000 1.239 485 P CA -0.188 62.909 63.100 -0.005 0.000 0.807 485 P CB 0.400 32.102 31.700 0.003 0.000 0.951 486 Q N -0.811 118.988 119.800 -0.002 0.000 2.875 486 Q HA -0.011 4.329 4.340 -0.000 0.000 0.196 486 Q C -0.376 175.624 176.000 0.001 0.000 1.625 486 Q CA 2.022 57.825 55.803 0.000 0.000 0.263 486 Q CB -1.148 27.593 28.738 0.005 0.000 2.206 486 Q HN 0.979 nan 8.270 nan 0.000 0.433 487 A N 1.082 123.903 122.820 0.001 0.000 1.745 487 A HA -0.053 4.267 4.320 -0.000 0.000 0.374 487 A C -1.887 175.696 177.584 -0.002 0.000 0.861 487 A CA 0.140 52.178 52.037 0.002 0.000 0.509 487 A CB -1.003 18.000 19.000 0.006 0.000 2.176 487 A HN 0.645 nan 8.150 nan 0.000 0.304 488 P HA 0.404 nan 4.420 nan 0.000 0.235 488 P C 0.041 177.338 177.300 -0.005 0.000 1.765 488 P CA 1.023 64.120 63.100 -0.006 0.000 1.034 488 P CB -0.171 31.526 31.700 -0.005 0.000 1.984 489 A N 2.844 125.660 122.820 -0.005 0.000 3.204 489 A HA 0.515 4.835 4.320 -0.000 0.000 0.327 489 A C -2.365 175.215 177.584 -0.007 0.000 0.998 489 A CA -1.159 50.876 52.037 -0.004 0.000 0.891 489 A CB 0.049 19.050 19.000 0.000 0.000 1.061 489 A HN 0.186 nan 8.150 nan 0.000 0.478 490 P HA 0.421 nan 4.420 nan 0.000 0.276 490 P C -2.525 174.770 177.300 -0.008 0.000 1.253 490 P CA -0.791 62.300 63.100 -0.015 0.000 0.766 490 P CB 0.194 31.882 31.700 -0.019 0.000 0.845 491 P HA -0.076 nan 4.420 nan 0.000 0.258 491 P C 0.858 178.161 177.300 0.004 0.000 1.172 491 P CA 0.123 63.225 63.100 0.002 0.000 0.762 491 P CB 0.413 32.118 31.700 0.008 0.000 0.764 492 L N 2.792 124.018 121.223 0.005 0.000 1.993 492 L HA 0.015 4.355 4.340 -0.000 0.000 0.206 492 L C 0.132 177.008 176.870 0.010 0.000 1.074 492 L CA 1.933 56.777 54.840 0.006 0.000 0.746 492 L CB -0.149 41.913 42.059 0.005 0.000 0.896 492 L HN 0.264 nan 8.230 nan 0.000 0.435 493 D N 0.282 120.689 120.400 0.012 0.000 2.193 493 D HA 0.220 4.860 4.640 -0.000 0.000 0.249 493 D C 0.111 176.424 176.300 0.022 0.000 1.034 493 D CA -0.180 53.829 54.000 0.016 0.000 0.902 493 D CB 1.604 42.412 40.800 0.013 0.000 1.182 493 D HN 0.280 nan 8.370 nan 0.000 0.436 494 E N 0.151 120.366 120.200 0.026 0.000 2.511 494 E HA 0.133 4.483 4.350 -0.000 0.000 0.214 494 E C 0.017 176.635 176.600 0.031 0.000 1.062 494 E CA -0.417 56.004 56.400 0.035 0.000 1.213 494 E CB 0.388 30.113 29.700 0.041 0.000 1.214 494 E HN 0.349 nan 8.360 nan 0.000 0.441 495 Q N 0.000 119.815 119.800 0.025 0.000 2.315 495 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 495 Q CA 0.000 55.816 55.803 0.022 0.000 1.022 495 Q CB 0.000 28.748 28.738 0.017 0.000 1.108 495 Q HN 0.000 nan 8.270 nan 0.000 0.481