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 2php_1_E DATA FIRST_RESID 241 DATA SEQUENCE YINKEKVIKN LSYAIYLLKK XNFTLIPEVG SNIAESLPFP KDFKDVAALT DATA SEQUENCE GRIIKNKLGG FYIVGDIEFG ASEHIAKIIL SASKFNPEIR ACXNIKYDGG DATA SEQUENCE LIKLLKDKFA VSSFDRKEEP PNVSTXEWGT KIACEKFGGV PDIIYDRGGE DATA SEQUENCE GKEPXIRVLG RDAIEVVKKV EVIQKIYNTL EGH 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 241 Y HA 0.000 nan 4.550 nan 0.000 0.201 241 Y C 0.000 175.917 175.900 0.029 0.000 1.272 241 Y CA 0.000 58.115 58.100 0.025 0.000 1.940 241 Y CB 0.000 38.471 38.460 0.018 0.000 1.050 242 I N 6.092 126.363 120.570 -0.498 0.000 2.583 242 I HA 0.226 4.396 4.170 0.001 0.000 0.276 242 I C -0.852 174.950 176.117 -0.524 0.000 1.089 242 I CA -0.616 60.474 61.300 -0.350 0.000 1.103 242 I CB 0.548 38.453 38.000 -0.158 0.000 1.209 242 I HN 0.670 nan 8.210 nan 0.000 0.484 243 N N 4.568 122.976 118.700 -0.487 0.000 2.725 243 N HA 0.430 5.170 4.740 0.001 0.000 0.312 243 N C 0.669 176.130 175.510 -0.082 0.000 1.295 243 N CA -0.773 52.083 53.050 -0.322 0.000 0.914 243 N CB 1.090 39.465 38.487 -0.187 0.000 1.177 243 N HN 0.116 nan 8.380 nan 0.000 0.601 244 K N -0.262 120.104 120.400 -0.057 0.000 2.063 244 K HA -0.220 4.101 4.320 0.001 0.000 0.208 244 K C 1.508 178.222 176.600 0.190 0.000 1.048 244 K CA 1.654 57.981 56.287 0.066 0.000 0.928 244 K CB -0.174 32.237 32.500 -0.148 0.000 0.713 244 K HN 0.703 nan 8.250 nan 0.000 0.442 245 E N 1.265 121.527 120.200 0.103 0.000 2.070 245 E HA -0.283 4.068 4.350 0.001 0.000 0.197 245 E C 1.997 178.648 176.600 0.085 0.000 1.004 245 E CA 1.584 58.043 56.400 0.098 0.000 0.805 245 E CB 0.078 29.825 29.700 0.079 0.000 0.744 245 E HN -0.005 nan 8.360 nan 0.000 0.451 246 K N 0.180 120.617 120.400 0.061 0.000 2.032 246 K HA -0.125 4.195 4.320 0.001 0.000 0.209 246 K C 1.949 178.582 176.600 0.054 0.000 1.048 246 K CA 1.507 57.818 56.287 0.041 0.000 0.927 246 K CB -0.542 31.960 32.500 0.004 0.000 0.712 246 K HN 0.075 nan 8.250 nan 0.000 0.441 247 V N 1.139 121.108 119.914 0.091 0.000 2.343 247 V HA -0.235 3.885 4.120 0.001 0.000 0.247 247 V C 2.233 178.348 176.094 0.035 0.000 1.051 247 V CA 1.544 63.896 62.300 0.087 0.000 1.036 247 V CB -0.464 31.481 31.823 0.203 0.000 0.654 247 V HN 0.286 nan 8.190 nan 0.000 0.451 248 I N -0.092 120.519 120.570 0.069 0.000 2.315 248 I HA -0.189 3.982 4.170 0.001 0.000 0.248 248 I C 2.386 178.524 176.117 0.035 0.000 1.117 248 I CA 1.612 62.926 61.300 0.024 0.000 1.404 248 I CB -1.123 36.924 38.000 0.078 0.000 1.071 248 I HN 0.379 nan 8.210 nan 0.000 0.419 249 K N 0.515 120.944 120.400 0.049 0.000 2.057 249 K HA -0.137 4.184 4.320 0.001 0.000 0.206 249 K C 1.926 178.571 176.600 0.075 0.000 1.050 249 K CA 1.021 57.338 56.287 0.049 0.000 0.935 249 K CB -0.090 32.428 32.500 0.029 0.000 0.715 249 K HN 0.266 nan 8.250 nan 0.000 0.439 250 N N 1.298 120.036 118.700 0.063 0.000 2.043 250 N HA -0.145 4.595 4.740 0.001 0.000 0.193 250 N C 1.898 177.461 175.510 0.090 0.000 1.037 250 N CA 1.196 54.296 53.050 0.084 0.000 0.851 250 N CB -0.379 38.137 38.487 0.049 0.000 1.027 250 N HN 0.088 nan 8.380 nan 0.000 0.422 251 L N 0.588 121.833 121.223 0.036 0.000 2.046 251 L HA -0.135 4.205 4.340 0.001 0.000 0.208 251 L C 2.316 179.209 176.870 0.039 0.000 1.077 251 L CA 0.865 55.712 54.840 0.011 0.000 0.747 251 L CB -0.364 41.670 42.059 -0.042 0.000 0.896 251 L HN 0.099 nan 8.230 nan 0.000 0.432 252 S N -1.168 114.569 115.700 0.062 0.000 2.356 252 S HA -0.243 4.228 4.470 0.001 0.000 0.223 252 S C 1.885 176.572 174.600 0.145 0.000 1.032 252 S CA 1.339 59.591 58.200 0.086 0.000 1.005 252 S CB -0.426 62.821 63.200 0.078 0.000 0.867 252 S HN 0.393 nan 8.310 nan 0.000 0.449 253 Y N 2.243 122.566 120.300 0.039 0.000 2.293 253 Y HA 0.010 4.560 4.550 0.001 0.000 0.291 253 Y C 2.341 178.321 175.900 0.132 0.000 1.137 253 Y CA 0.545 58.690 58.100 0.076 0.000 1.202 253 Y CB -0.783 37.693 38.460 0.027 0.000 0.990 253 Y HN 0.207 nan 8.280 nan 0.000 0.537 254 A N 0.277 123.104 122.820 0.012 0.000 1.902 254 A HA -0.147 4.173 4.320 0.001 0.000 0.217 254 A C 2.135 179.659 177.584 -0.100 0.000 1.181 254 A CA 1.810 53.799 52.037 -0.080 0.000 0.623 254 A CB -0.872 18.109 19.000 -0.032 0.000 0.818 254 A HN 0.416 nan 8.150 nan 0.000 0.443 255 I N -1.323 119.230 120.570 -0.028 0.000 2.226 255 I HA -0.227 3.943 4.170 0.001 0.000 0.245 255 I C 2.392 178.512 176.117 0.006 0.000 1.100 255 I CA 1.542 62.839 61.300 -0.005 0.000 1.374 255 I CB -1.661 36.364 38.000 0.042 0.000 1.057 255 I HN 0.579 nan 8.210 nan 0.000 0.413 256 Y N 1.905 122.137 120.300 -0.113 0.000 2.114 256 Y HA -0.251 4.300 4.550 0.001 0.000 0.282 256 Y C 2.530 178.323 175.900 -0.178 0.000 1.165 256 Y CA 1.786 59.812 58.100 -0.124 0.000 1.148 256 Y CB -0.546 37.835 38.460 -0.132 0.000 0.972 256 Y HN 0.026 nan 8.280 nan 0.000 0.504 257 L N -0.765 120.256 121.223 -0.335 0.000 2.046 257 L HA -0.214 4.126 4.340 0.001 0.000 0.208 257 L C 2.450 179.171 176.870 -0.249 0.000 1.077 257 L CA 1.156 55.770 54.840 -0.377 0.000 0.747 257 L CB -0.720 41.141 42.059 -0.330 0.000 0.896 257 L HN 0.332 nan 8.230 nan 0.000 0.432 258 L N 0.158 121.271 121.223 -0.183 0.000 2.079 258 L HA -0.216 4.125 4.340 0.001 0.000 0.210 258 L C 2.410 179.324 176.870 0.072 0.000 1.081 258 L CA 1.792 56.557 54.840 -0.125 0.000 0.752 258 L CB -0.489 41.468 42.059 -0.170 0.000 0.896 258 L HN 0.102 nan 8.230 nan 0.000 0.433 259 K N -0.603 119.807 120.400 0.017 0.000 2.283 259 K HA -0.089 4.231 4.320 0.001 0.000 0.202 259 K C 0.641 177.212 176.600 -0.048 0.000 1.048 259 K CA 0.513 56.814 56.287 0.023 0.000 0.948 259 K CB 0.009 32.462 32.500 -0.079 0.000 0.742 259 K HN 0.230 nan 8.250 nan 0.000 0.458 263 F N 2.370 122.335 119.950 0.025 0.000 2.471 263 F HA 0.360 4.888 4.527 0.001 0.000 0.365 263 F C 1.333 177.007 175.800 -0.210 0.000 1.095 263 F CA 0.142 57.995 58.000 -0.246 0.000 1.174 263 F CB 0.529 39.119 39.000 -0.684 0.000 1.105 263 F HN 0.356 nan 8.300 nan 0.000 0.535 264 T N 2.849 117.131 114.554 -0.452 0.000 3.043 264 T HA 0.230 4.580 4.350 0.001 0.000 0.272 264 T C 0.794 175.159 174.700 -0.558 0.000 0.990 264 T CA -0.030 61.822 62.100 -0.414 0.000 0.897 264 T CB -0.550 68.280 68.868 -0.063 0.000 1.111 264 T HN 0.493 nan 8.240 nan 0.000 0.529 265 L N 2.476 123.206 121.223 -0.821 0.000 2.803 265 L HA 0.446 4.787 4.340 0.001 0.000 0.241 265 L C -0.394 176.090 176.870 -0.643 0.000 1.404 265 L CA -0.125 54.336 54.840 -0.633 0.000 1.211 265 L CB -0.551 41.295 42.059 -0.355 0.000 1.585 265 L HN 0.332 nan 8.230 nan 0.000 0.430 266 I N 2.064 122.262 120.570 -0.621 0.000 2.336 266 I HA 0.333 4.503 4.170 0.001 0.000 0.292 266 I C -1.887 174.118 176.117 -0.188 0.000 0.991 266 I CA -1.966 59.103 61.300 -0.385 0.000 1.227 266 I CB 1.568 39.338 38.000 -0.383 0.000 1.366 266 I HN 0.075 nan 8.210 nan 0.000 0.466 267 P HA 0.179 nan 4.420 nan 0.000 0.276 267 P C 0.020 177.298 177.300 -0.037 0.000 1.261 267 P CA -0.315 62.751 63.100 -0.056 0.000 0.800 267 P CB 1.013 32.697 31.700 -0.026 0.000 1.066 268 E N -0.126 120.060 120.200 -0.023 0.000 2.160 268 E HA -0.139 4.212 4.350 0.001 0.000 0.195 268 E C 1.401 177.995 176.600 -0.010 0.000 0.991 268 E CA 1.525 57.917 56.400 -0.013 0.000 0.810 268 E CB -0.393 29.302 29.700 -0.008 0.000 0.742 268 E HN 0.332 nan 8.360 nan 0.000 0.466 269 V N -2.424 117.480 119.914 -0.015 0.000 3.623 269 V HA 0.332 4.453 4.120 0.001 0.000 0.271 269 V C 0.779 176.867 176.094 -0.010 0.000 1.248 269 V CA 0.151 62.438 62.300 -0.021 0.000 1.156 269 V CB -0.831 30.966 31.823 -0.043 0.000 0.870 269 V HN 0.220 nan 8.190 nan 0.000 0.453 270 G N 0.251 109.051 108.800 0.000 0.000 2.755 270 G HA2 -0.110 3.850 3.960 0.001 0.000 0.686 270 G HA3 -0.110 3.850 3.960 0.001 0.000 0.686 270 G C -0.407 174.513 174.900 0.033 0.000 1.427 270 G CA -0.165 44.949 45.100 0.022 0.000 0.873 270 G HN 0.786 nan 8.290 nan 0.000 0.580 271 S N 0.801 116.542 115.700 0.069 0.000 2.608 271 S HA 0.789 5.260 4.470 0.001 0.000 0.291 271 S C 0.207 174.849 174.600 0.070 0.000 1.146 271 S CA -0.729 57.524 58.200 0.087 0.000 1.043 271 S CB 1.743 65.049 63.200 0.176 0.000 1.037 271 S HN 0.885 nan 8.310 nan 0.000 0.520 272 N N 0.860 119.590 118.700 0.050 0.000 2.329 272 N HA 0.547 5.288 4.740 0.001 0.000 0.282 272 N C -1.787 173.727 175.510 0.007 0.000 1.198 272 N CA -0.583 52.487 53.050 0.033 0.000 0.790 272 N CB 1.748 40.260 38.487 0.042 0.000 1.579 272 N HN 0.694 nan 8.380 nan 0.000 0.475 273 I N 1.056 121.618 120.570 -0.013 0.000 2.545 273 I HA 0.816 4.986 4.170 0.001 0.000 0.292 273 I C -1.168 174.930 176.117 -0.032 0.000 1.040 273 I CA -0.506 60.772 61.300 -0.036 0.000 1.068 273 I CB 1.545 39.505 38.000 -0.067 0.000 1.251 273 I HN 0.646 nan 8.210 nan 0.000 0.424 274 A N 5.838 128.640 122.820 -0.031 0.000 2.515 274 A HA 0.801 5.122 4.320 0.001 0.000 0.296 274 A C -1.394 176.168 177.584 -0.037 0.000 1.094 274 A CA -0.524 51.491 52.037 -0.036 0.000 0.718 274 A CB 1.909 20.903 19.000 -0.011 0.000 1.307 274 A HN 0.747 nan 8.150 nan 0.000 0.408 275 E N 0.194 120.364 120.200 -0.049 0.000 2.321 275 E HA 0.561 4.912 4.350 0.001 0.000 0.278 275 E C -0.722 175.877 176.600 -0.001 0.000 0.902 275 E CA -0.367 56.017 56.400 -0.027 0.000 0.758 275 E CB 1.857 31.539 29.700 -0.030 0.000 1.213 275 E HN 0.916 nan 8.360 nan 0.000 0.426 276 S N 3.411 119.133 115.700 0.036 0.000 2.704 276 S HA 0.599 5.070 4.470 0.001 0.000 0.305 276 S C 0.025 174.682 174.600 0.096 0.000 1.107 276 S CA -0.869 57.389 58.200 0.098 0.000 0.993 276 S CB 0.817 64.058 63.200 0.069 0.000 1.110 276 S HN 0.489 nan 8.310 nan 0.000 0.534 277 L N 1.875 123.174 121.223 0.126 0.000 2.466 277 L HA 0.418 4.759 4.340 0.001 0.000 0.257 277 L C -1.899 174.974 176.870 0.006 0.000 1.189 277 L CA -2.187 52.684 54.840 0.052 0.000 0.813 277 L CB 0.208 42.276 42.059 0.014 0.000 1.118 277 L HN 0.545 nan 8.230 nan 0.000 0.471 278 P HA -0.020 nan 4.420 nan 0.000 0.269 278 P C -0.564 176.758 177.300 0.037 0.000 1.209 278 P CA -0.084 62.969 63.100 -0.078 0.000 0.776 278 P CB 0.300 31.981 31.700 -0.031 0.000 0.876 279 F N -0.277 119.678 119.950 0.009 0.000 2.891 279 F HA -0.155 4.373 4.527 0.001 0.000 0.272 279 F C -1.331 174.474 175.800 0.008 0.000 1.004 279 F CA 0.019 58.024 58.000 0.008 0.000 0.938 279 F CB -2.361 36.640 39.000 0.001 0.000 0.939 279 F HN 0.331 nan 8.300 nan 0.000 0.833 280 P HA 0.052 nan 4.420 nan 0.000 0.271 280 P C 0.444 177.796 177.300 0.087 0.000 1.216 280 P CA -0.137 63.013 63.100 0.083 0.000 0.771 280 P CB 1.297 33.037 31.700 0.068 0.000 0.864 281 K N 1.988 122.425 120.400 0.061 0.000 2.078 281 K HA 0.057 4.378 4.320 0.001 0.000 0.203 281 K C 0.758 177.388 176.600 0.050 0.000 1.043 281 K CA 1.355 57.672 56.287 0.049 0.000 0.960 281 K CB -0.316 32.197 32.500 0.022 0.000 0.761 281 K HN 0.661 nan 8.250 nan 0.000 0.448 282 D N -1.396 119.022 120.400 0.030 0.000 2.758 282 D HA 0.114 4.755 4.640 0.001 0.000 0.279 282 D C 0.818 177.160 176.300 0.071 0.000 1.111 282 D CA -0.817 53.215 54.000 0.054 0.000 1.109 282 D CB -0.214 40.577 40.800 -0.015 0.000 1.428 282 D HN 0.005 nan 8.370 nan 0.000 0.586 283 F N -0.778 119.206 119.950 0.057 0.000 2.604 283 F HA 0.245 4.773 4.527 0.001 0.000 0.298 283 F C 1.420 177.282 175.800 0.102 0.000 1.131 283 F CA 0.224 58.266 58.000 0.070 0.000 1.457 283 F CB -0.314 38.721 39.000 0.058 0.000 1.095 283 F HN -0.043 nan 8.300 nan 0.000 0.574 284 K N 0.573 120.644 120.400 -0.548 0.000 2.365 284 K HA -0.064 4.257 4.320 0.001 0.000 0.199 284 K C 0.475 177.068 176.600 -0.012 0.000 1.045 284 K CA 0.766 56.840 56.287 -0.354 0.000 0.962 284 K CB -0.432 31.814 32.500 -0.423 0.000 0.759 284 K HN 0.381 nan 8.250 nan 0.000 0.469 285 D N 0.700 121.117 120.400 0.029 0.000 2.325 285 D HA 0.031 4.672 4.640 0.001 0.000 0.225 285 D C -0.257 176.234 176.300 0.318 0.000 1.096 285 D CA 0.151 54.216 54.000 0.109 0.000 0.844 285 D CB 0.497 41.319 40.800 0.037 0.000 0.925 285 D HN -0.176 nan 8.370 nan 0.000 0.513 286 V N 0.862 120.973 119.914 0.330 0.000 2.487 286 V HA 0.665 4.786 4.120 0.001 0.000 0.298 286 V C 0.028 176.154 176.094 0.054 0.000 1.028 286 V CA -1.138 61.286 62.300 0.206 0.000 0.860 286 V CB 1.785 33.700 31.823 0.154 0.000 0.991 286 V HN 0.054 nan 8.190 nan 0.000 0.427 287 A N 3.692 126.337 122.820 -0.292 0.000 2.306 287 A HA 1.051 5.372 4.320 0.001 0.000 0.330 287 A C 0.002 177.448 177.584 -0.231 0.000 1.146 287 A CA 0.173 51.884 52.037 -0.542 0.000 0.827 287 A CB 1.606 19.898 19.000 -1.181 0.000 1.178 287 A HN 1.752 nan 8.150 nan 0.000 0.490 288 A N 0.523 123.247 122.820 -0.160 0.000 2.467 288 A HA 0.615 4.936 4.320 0.001 0.000 0.301 288 A C -1.269 176.289 177.584 -0.044 0.000 1.126 288 A CA -0.664 51.330 52.037 -0.072 0.000 0.632 288 A CB 0.003 18.993 19.000 -0.017 0.000 1.331 288 A HN 0.862 nan 8.150 nan 0.000 0.482 289 L N 1.160 122.376 121.223 -0.012 0.000 2.380 289 L HA 0.266 4.607 4.340 0.001 0.000 0.273 289 L C 1.984 178.864 176.870 0.018 0.000 1.138 289 L CA 0.352 55.196 54.840 0.007 0.000 0.832 289 L CB 1.196 43.269 42.059 0.024 0.000 1.124 289 L HN 1.047 nan 8.230 nan 0.000 0.454 290 T N -1.498 113.069 114.554 0.021 0.000 2.995 290 T HA 0.028 4.378 4.350 0.001 0.000 0.269 290 T C 1.029 175.744 174.700 0.025 0.000 1.091 290 T CA 0.512 62.629 62.100 0.028 0.000 1.128 290 T CB 0.032 68.918 68.868 0.030 0.000 0.891 290 T HN 0.724 nan 8.240 nan 0.000 0.492 291 G N 0.686 109.503 108.800 0.028 0.000 3.434 291 G HA2 0.713 4.673 3.960 0.001 0.000 0.192 291 G HA3 0.713 4.673 3.960 0.001 0.000 0.192 291 G C -0.297 174.625 174.900 0.036 0.000 1.704 291 G CA -0.821 44.297 45.100 0.030 0.000 0.936 291 G HN 0.473 nan 8.290 nan 0.000 0.623 292 R N -2.574 117.958 120.500 0.055 0.000 2.764 292 R HA 0.465 4.805 4.340 0.001 0.000 0.276 292 R C -1.808 174.557 176.300 0.109 0.000 1.021 292 R CA -0.639 55.501 56.100 0.066 0.000 0.870 292 R CB 0.773 31.103 30.300 0.051 0.000 1.293 292 R HN 0.332 nan 8.270 nan 0.000 0.469 293 I N 3.724 124.371 120.570 0.128 0.000 2.330 293 I HA 0.481 4.652 4.170 0.001 0.000 0.289 293 I C -0.155 176.068 176.117 0.176 0.000 1.001 293 I CA -0.558 60.861 61.300 0.199 0.000 1.193 293 I CB 1.117 39.245 38.000 0.212 0.000 1.345 293 I HN 0.449 nan 8.210 nan 0.000 0.461 294 I N 2.436 123.140 120.570 0.223 0.000 2.892 294 I HA 0.563 4.734 4.170 0.001 0.000 0.306 294 I C -0.597 175.640 176.117 0.200 0.000 1.078 294 I CA -1.171 60.232 61.300 0.172 0.000 1.032 294 I CB 1.812 39.913 38.000 0.169 0.000 1.229 294 I HN 0.369 nan 8.210 nan 0.000 0.435 295 K N 2.323 122.788 120.400 0.108 0.000 2.295 295 K HA 0.131 4.452 4.320 0.001 0.000 0.270 295 K C -0.279 176.362 176.600 0.069 0.000 1.011 295 K CA -0.328 56.001 56.287 0.070 0.000 0.953 295 K CB 0.356 32.861 32.500 0.010 0.000 0.956 295 K HN 0.532 nan 8.250 nan 0.000 0.477 296 N N 2.575 121.230 118.700 -0.074 0.000 2.527 296 N HA 0.054 4.795 4.740 0.001 0.000 0.236 296 N C -0.055 175.424 175.510 -0.052 0.000 0.999 296 N CA -0.014 52.922 53.050 -0.189 0.000 0.935 296 N CB 0.788 38.927 38.487 -0.579 0.000 1.132 296 N HN 0.412 nan 8.380 nan 0.000 0.511 297 K N 1.935 122.351 120.400 0.026 0.000 2.442 297 K HA -0.105 4.216 4.320 0.001 0.000 0.200 297 K C 0.872 177.473 176.600 0.001 0.000 1.045 297 K CA 0.879 57.176 56.287 0.018 0.000 0.937 297 K CB 0.226 32.748 32.500 0.036 0.000 0.757 297 K HN 0.364 nan 8.250 nan 0.000 0.474 298 L N -0.677 120.540 121.223 -0.009 0.000 2.607 298 L HA 0.210 4.551 4.340 0.001 0.000 0.228 298 L C 0.274 177.121 176.870 -0.039 0.000 1.123 298 L CA 0.421 55.251 54.840 -0.016 0.000 0.890 298 L CB 0.643 42.700 42.059 -0.004 0.000 1.103 298 L HN 0.223 nan 8.230 nan 0.000 0.468 299 G N -1.917 106.848 108.800 -0.057 0.000 2.957 299 G HA2 0.482 4.443 3.960 0.001 0.000 0.636 299 G HA3 0.482 4.443 3.960 0.001 0.000 0.636 299 G C -0.021 174.814 174.900 -0.109 0.000 1.401 299 G CA -0.482 44.581 45.100 -0.061 0.000 0.941 299 G HN 0.604 nan 8.290 nan 0.000 0.610 300 G N 0.513 109.278 108.800 -0.058 0.000 2.545 300 G HA2 0.515 4.475 3.960 0.001 0.000 0.216 300 G HA3 0.515 4.475 3.960 0.001 0.000 0.216 300 G C -0.130 174.760 174.900 -0.017 0.000 1.314 300 G CA 0.396 45.453 45.100 -0.072 0.000 0.906 300 G HN 2.423 nan 8.290 nan 0.000 0.563 301 F N -2.838 116.972 119.950 -0.232 0.000 2.685 301 F HA 0.832 5.359 4.527 0.001 0.000 0.315 301 F C -1.262 174.363 175.800 -0.293 0.000 1.126 301 F CA -2.031 55.831 58.000 -0.230 0.000 0.950 301 F CB 1.027 40.003 39.000 -0.041 0.000 1.360 301 F HN 0.610 nan 8.300 nan 0.000 0.469 302 Y N 1.638 122.058 120.300 0.199 0.000 2.393 302 Y HA 0.662 5.212 4.550 0.001 0.000 0.341 302 Y C -0.345 175.679 175.900 0.207 0.000 0.988 302 Y CA -1.392 56.768 58.100 0.099 0.000 1.078 302 Y CB 1.961 40.459 38.460 0.063 0.000 1.203 302 Y HN 0.488 nan 8.280 nan 0.000 0.453 303 I N 4.463 125.222 120.570 0.316 0.000 2.330 303 I HA 0.330 4.501 4.170 0.001 0.000 0.286 303 I C -0.950 175.265 176.117 0.165 0.000 1.025 303 I CA -0.725 60.724 61.300 0.247 0.000 1.197 303 I CB 0.683 38.810 38.000 0.211 0.000 1.358 303 I HN 0.243 nan 8.210 nan 0.000 0.467 304 V N 5.819 125.815 119.914 0.136 0.000 2.427 304 V HA 0.875 4.996 4.120 0.001 0.000 0.286 304 V C 0.676 176.802 176.094 0.054 0.000 1.034 304 V CA -0.171 62.175 62.300 0.077 0.000 0.893 304 V CB 0.833 32.688 31.823 0.055 0.000 0.982 304 V HN 1.057 nan 8.190 nan 0.000 0.452 305 G N 4.330 113.152 108.800 0.038 0.000 2.582 305 G HA2 -0.079 3.882 3.960 0.001 0.000 0.222 305 G HA3 -0.079 3.882 3.960 0.001 0.000 0.222 305 G C -1.283 173.636 174.900 0.032 0.000 1.311 305 G CA -0.427 44.692 45.100 0.030 0.000 0.915 305 G HN 0.663 nan 8.290 nan 0.000 0.528 306 D N -0.539 119.876 120.400 0.026 0.000 2.419 306 D HA 0.566 5.207 4.640 0.001 0.000 0.234 306 D C 0.233 176.538 176.300 0.010 0.000 1.014 306 D CA -0.471 53.543 54.000 0.023 0.000 0.919 306 D CB 1.910 42.725 40.800 0.025 0.000 1.366 306 D HN 0.508 nan 8.370 nan 0.000 0.490 307 I N 1.574 122.143 120.570 -0.002 0.000 2.471 307 I HA 0.082 4.252 4.170 0.001 0.000 0.286 307 I C 0.466 176.551 176.117 -0.053 0.000 1.079 307 I CA 0.461 61.735 61.300 -0.042 0.000 1.398 307 I CB 0.378 38.345 38.000 -0.055 0.000 1.403 307 I HN 0.024 nan 8.210 nan 0.000 0.530 308 E N 5.388 125.537 120.200 -0.084 0.000 2.372 308 E HA 0.345 4.695 4.350 0.001 0.000 0.279 308 E C -1.292 175.246 176.600 -0.104 0.000 0.946 308 E CA -0.789 55.587 56.400 -0.041 0.000 0.769 308 E CB 2.337 32.062 29.700 0.041 0.000 1.230 308 E HN 0.191 nan 8.360 nan 0.000 0.442 309 F N 0.577 120.550 119.950 0.038 0.000 2.495 309 F HA 0.305 4.833 4.527 0.001 0.000 0.365 309 F C 1.651 177.485 175.800 0.057 0.000 1.090 309 F CA 1.763 59.783 58.000 0.033 0.000 1.235 309 F CB 0.845 39.845 39.000 -0.000 0.000 1.119 309 F HN 0.786 nan 8.300 nan 0.000 0.562 310 G N 1.992 110.941 108.800 0.249 0.000 2.157 310 G HA2 -0.266 3.694 3.960 0.001 0.000 0.248 310 G HA3 -0.266 3.694 3.960 0.001 0.000 0.248 310 G C 0.996 176.113 174.900 0.360 0.000 0.979 310 G CA 0.226 45.541 45.100 0.359 0.000 0.650 310 G HN 1.061 nan 8.290 nan 0.000 0.529 311 A N -0.592 122.339 122.820 0.184 0.000 2.168 311 A HA 0.600 4.921 4.320 0.001 0.000 0.215 311 A C 1.416 179.054 177.584 0.090 0.000 1.152 311 A CA 2.002 54.107 52.037 0.113 0.000 0.716 311 A CB 0.092 19.122 19.000 0.049 0.000 0.794 311 A HN 1.612 nan 8.150 nan 0.000 0.465 312 S N -0.768 115.000 115.700 0.113 0.000 2.571 312 S HA 0.326 4.797 4.470 0.001 0.000 0.238 312 S C 0.245 174.880 174.600 0.059 0.000 1.153 312 S CA -0.515 57.728 58.200 0.071 0.000 1.141 312 S CB 0.543 63.785 63.200 0.070 0.000 1.133 312 S HN 0.425 nan 8.310 nan 0.000 0.464 313 E N 1.796 121.947 120.200 -0.081 0.000 2.072 313 E HA -0.167 4.184 4.350 0.001 0.000 0.191 313 E C 1.298 177.882 176.600 -0.025 0.000 0.985 313 E CA 1.164 57.444 56.400 -0.202 0.000 0.801 313 E CB -0.161 29.266 29.700 -0.456 0.000 0.750 313 E HN 0.857 nan 8.360 nan 0.000 0.452 314 H N 1.135 120.163 119.070 -0.071 0.000 2.257 314 H HA -0.149 4.407 4.556 0.001 0.000 0.292 314 H C 1.938 177.266 175.328 -0.000 0.000 1.075 314 H CA 2.185 58.216 56.048 -0.028 0.000 1.212 314 H CB -0.255 29.496 29.762 -0.018 0.000 1.354 314 H HN 0.062 nan 8.280 nan 0.000 0.497 315 I N 0.166 120.758 120.570 0.037 0.000 2.493 315 I HA -0.223 3.948 4.170 0.001 0.000 0.254 315 I C 2.684 178.790 176.117 -0.018 0.000 1.160 315 I CA 0.782 62.066 61.300 -0.026 0.000 1.445 315 I CB -0.559 37.465 38.000 0.039 0.000 1.086 315 I HN 0.431 nan 8.210 nan 0.000 0.433 316 A N 1.402 124.240 122.820 0.030 0.000 1.908 316 A HA -0.241 4.080 4.320 0.001 0.000 0.218 316 A C 2.325 179.932 177.584 0.038 0.000 1.181 316 A CA 1.686 53.766 52.037 0.072 0.000 0.627 316 A CB -0.452 18.651 19.000 0.173 0.000 0.818 316 A HN 0.344 nan 8.150 nan 0.000 0.445 317 K N -0.489 119.907 120.400 -0.007 0.000 2.063 317 K HA -0.132 4.189 4.320 0.001 0.000 0.208 317 K C 1.812 178.387 176.600 -0.042 0.000 1.048 317 K CA 1.661 57.933 56.287 -0.025 0.000 0.928 317 K CB -0.438 32.019 32.500 -0.072 0.000 0.713 317 K HN 0.577 nan 8.250 nan 0.000 0.442 318 I N 0.936 121.459 120.570 -0.079 0.000 2.202 318 I HA -0.273 3.898 4.170 0.001 0.000 0.242 318 I C 2.301 178.400 176.117 -0.029 0.000 1.091 318 I CA 1.274 62.532 61.300 -0.070 0.000 1.368 318 I CB -0.281 37.669 38.000 -0.083 0.000 1.058 318 I HN 0.100 nan 8.210 nan 0.000 0.410 319 I N 0.086 120.649 120.570 -0.013 0.000 2.226 319 I HA -0.284 3.887 4.170 0.001 0.000 0.245 319 I C 2.421 178.551 176.117 0.023 0.000 1.100 319 I CA 1.201 62.503 61.300 0.003 0.000 1.374 319 I CB -0.264 37.742 38.000 0.010 0.000 1.057 319 I HN 0.184 nan 8.210 nan 0.000 0.413 320 L N 0.232 121.477 121.223 0.036 0.000 2.046 320 L HA -0.181 4.159 4.340 0.001 0.000 0.208 320 L C 2.670 179.578 176.870 0.064 0.000 1.077 320 L CA 1.719 56.591 54.840 0.054 0.000 0.747 320 L CB -0.754 41.346 42.059 0.067 0.000 0.896 320 L HN 0.114 nan 8.230 nan 0.000 0.432 321 S N -0.750 114.985 115.700 0.057 0.000 2.345 321 S HA -0.141 4.329 4.470 0.001 0.000 0.220 321 S C 2.146 176.853 174.600 0.177 0.000 1.031 321 S CA 1.073 59.330 58.200 0.095 0.000 0.996 321 S CB -0.493 62.730 63.200 0.040 0.000 0.882 321 S HN 0.504 nan 8.310 nan 0.000 0.445 322 A N 1.940 124.823 122.820 0.104 0.000 1.933 322 A HA -0.114 4.207 4.320 0.001 0.000 0.218 322 A C 2.307 180.000 177.584 0.182 0.000 1.175 322 A CA 1.951 54.064 52.037 0.127 0.000 0.628 322 A CB -0.988 18.020 19.000 0.012 0.000 0.814 322 A HN 0.625 nan 8.150 nan 0.000 0.444 323 S N -0.160 115.598 115.700 0.097 0.000 2.440 323 S HA -0.165 4.306 4.470 0.001 0.000 0.238 323 S C 1.680 176.322 174.600 0.070 0.000 1.010 323 S CA 1.311 59.536 58.200 0.042 0.000 0.972 323 S CB -0.244 62.947 63.200 -0.015 0.000 0.774 323 S HN 0.484 nan 8.310 nan 0.000 0.501 324 K N 0.947 121.415 120.400 0.113 0.000 2.148 324 K HA 0.087 4.408 4.320 0.001 0.000 0.204 324 K C 1.470 178.003 176.600 -0.112 0.000 1.050 324 K CA 1.016 57.298 56.287 -0.009 0.000 0.942 324 K CB -0.650 31.794 32.500 -0.093 0.000 0.724 324 K HN 0.598 nan 8.250 nan 0.000 0.446 325 F N 0.239 120.203 119.950 0.022 0.000 2.473 325 F HA 0.060 4.588 4.527 0.001 0.000 0.294 325 F C 0.801 176.621 175.800 0.034 0.000 1.103 325 F CA 0.011 58.030 58.000 0.032 0.000 1.442 325 F CB 0.217 39.242 39.000 0.041 0.000 1.097 325 F HN -0.027 nan 8.300 nan 0.000 0.547 326 N N -0.147 118.664 118.700 0.186 0.000 2.812 326 N HA 0.125 4.866 4.740 0.001 0.000 0.262 326 N C -2.431 173.084 175.510 0.007 0.000 1.241 326 N CA -1.654 51.453 53.050 0.094 0.000 0.854 326 N CB 1.335 39.888 38.487 0.109 0.000 1.506 326 N HN -0.257 nan 8.380 nan 0.000 0.576 327 P HA -0.048 nan 4.420 nan 0.000 0.234 327 P C 0.524 177.656 177.300 -0.279 0.000 1.167 327 P CA 0.850 63.773 63.100 -0.294 0.000 0.763 327 P CB 0.637 32.023 31.700 -0.525 0.000 0.835 328 E N -0.530 119.594 120.200 -0.127 0.000 2.216 328 E HA 0.004 4.354 4.350 0.001 0.000 0.192 328 E C 0.668 177.228 176.600 -0.066 0.000 0.988 328 E CA 0.217 56.565 56.400 -0.086 0.000 0.834 328 E CB 0.056 29.740 29.700 -0.026 0.000 0.772 328 E HN 0.219 nan 8.360 nan 0.000 0.479 329 I N 1.669 122.208 120.570 -0.050 0.000 2.421 329 I HA 0.017 4.187 4.170 0.001 0.000 0.291 329 I C 1.113 177.201 176.117 -0.049 0.000 1.089 329 I CA 0.828 62.109 61.300 -0.032 0.000 1.354 329 I CB 0.495 38.490 38.000 -0.009 0.000 1.413 329 I HN 0.032 nan 8.210 nan 0.000 0.513 330 R N 3.740 124.215 120.500 -0.041 0.000 2.531 330 R HA 0.454 4.795 4.340 0.001 0.000 0.316 330 R C 0.078 176.366 176.300 -0.020 0.000 0.955 330 R CA -0.082 55.996 56.100 -0.036 0.000 1.120 330 R CB 1.166 31.441 30.300 -0.041 0.000 1.361 330 R HN 0.652 nan 8.270 nan 0.000 0.534 331 A N 0.111 122.918 122.820 -0.021 0.000 2.454 331 A HA 0.735 5.056 4.320 0.001 0.000 0.302 331 A C -1.074 176.493 177.584 -0.029 0.000 1.079 331 A CA -0.656 51.367 52.037 -0.022 0.000 0.731 331 A CB 1.864 20.851 19.000 -0.022 0.000 1.299 331 A HN 0.212 nan 8.150 nan 0.000 0.413 335 I N -2.684 117.901 120.570 0.024 0.000 3.145 335 I HA 0.593 4.763 4.170 0.001 0.000 0.313 335 I C 0.067 176.163 176.117 -0.035 0.000 1.122 335 I CA -1.152 60.163 61.300 0.025 0.000 0.987 335 I CB 2.097 40.116 38.000 0.032 0.000 1.236 335 I HN 0.461 nan 8.210 nan 0.000 0.453 336 K N 1.602 121.936 120.400 -0.111 0.000 2.469 336 K HA 0.033 4.353 4.320 0.001 0.000 0.274 336 K C -1.431 175.093 176.600 -0.126 0.000 0.983 336 K CA 0.053 56.260 56.287 -0.133 0.000 0.974 336 K CB 0.451 32.805 32.500 -0.243 0.000 0.913 336 K HN 0.641 nan 8.250 nan 0.000 0.493 337 Y N 2.690 122.886 120.300 -0.173 0.000 2.387 337 Y HA 0.306 4.857 4.550 0.001 0.000 0.330 337 Y C -0.876 174.927 175.900 -0.161 0.000 1.133 337 Y CA -0.528 57.470 58.100 -0.170 0.000 1.152 337 Y CB 1.410 39.803 38.460 -0.112 0.000 1.215 337 Y HN 0.674 nan 8.280 nan 0.000 0.466 338 D N 3.305 123.049 120.400 -1.095 0.000 2.970 338 D HA 0.194 4.834 4.640 0.001 0.000 0.230 338 D C 0.473 176.174 176.300 -0.998 0.000 1.276 338 D CA 0.041 53.581 54.000 -0.767 0.000 0.910 338 D CB 2.038 42.667 40.800 -0.285 0.000 1.590 338 D HN 0.905 nan 8.370 nan 0.000 0.551 339 G N 2.674 111.079 108.800 -0.658 0.000 2.491 339 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 339 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 339 G C 1.273 176.009 174.900 -0.274 0.000 1.180 339 G CA 1.390 46.269 45.100 -0.368 0.000 0.774 339 G HN 0.568 nan 8.290 nan 0.000 0.562 340 G N 0.653 109.337 108.800 -0.193 0.000 2.446 340 G HA2 -0.152 3.809 3.960 0.001 0.000 0.217 340 G HA3 -0.152 3.809 3.960 0.001 0.000 0.217 340 G C 1.771 176.585 174.900 -0.143 0.000 1.168 340 G CA 1.099 46.116 45.100 -0.138 0.000 0.771 340 G HN 0.418 nan 8.290 nan 0.000 0.551 341 L N 0.696 121.821 121.223 -0.164 0.000 1.990 341 L HA -0.079 4.262 4.340 0.001 0.000 0.213 341 L C 2.595 179.352 176.870 -0.188 0.000 1.072 341 L CA 1.435 56.195 54.840 -0.135 0.000 0.755 341 L CB -0.421 41.550 42.059 -0.147 0.000 0.889 341 L HN 0.108 nan 8.230 nan 0.000 0.432 342 I N -0.204 120.173 120.570 -0.322 0.000 2.163 342 I HA -0.333 3.837 4.170 0.001 0.000 0.243 342 I C 2.507 178.517 176.117 -0.178 0.000 1.085 342 I CA 1.498 62.603 61.300 -0.324 0.000 1.347 342 I CB -0.955 36.712 38.000 -0.555 0.000 1.044 342 I HN 0.414 nan 8.210 nan 0.000 0.408 343 K N 0.323 120.635 120.400 -0.147 0.000 2.020 343 K HA -0.195 4.125 4.320 0.001 0.000 0.212 343 K C 2.083 178.661 176.600 -0.038 0.000 1.050 343 K CA 1.345 57.589 56.287 -0.072 0.000 0.929 343 K CB -0.319 32.142 32.500 -0.063 0.000 0.714 343 K HN 0.306 nan 8.250 nan 0.000 0.443 344 L N 0.937 122.136 121.223 -0.041 0.000 2.201 344 L HA -0.155 4.186 4.340 0.001 0.000 0.212 344 L C 2.243 179.134 176.870 0.035 0.000 1.105 344 L CA 0.772 55.609 54.840 -0.006 0.000 0.775 344 L CB -0.364 41.691 42.059 -0.007 0.000 0.913 344 L HN 0.195 nan 8.230 nan 0.000 0.440 345 L N -0.499 120.746 121.223 0.036 0.000 2.156 345 L HA -0.136 4.205 4.340 0.001 0.000 0.208 345 L C 2.413 179.379 176.870 0.160 0.000 1.095 345 L CA 0.960 55.884 54.840 0.141 0.000 0.770 345 L CB -0.469 41.620 42.059 0.049 0.000 0.914 345 L HN 0.225 nan 8.230 nan 0.000 0.439 346 K N -0.058 120.388 120.400 0.077 0.000 2.281 346 K HA -0.157 4.164 4.320 0.001 0.000 0.203 346 K C 0.918 177.561 176.600 0.072 0.000 1.046 346 K CA 0.935 57.272 56.287 0.084 0.000 0.938 346 K CB -0.055 32.482 32.500 0.062 0.000 0.737 346 K HN 0.300 nan 8.250 nan 0.000 0.458 347 D N 0.019 120.449 120.400 0.051 0.000 2.349 347 D HA 0.038 4.679 4.640 0.001 0.000 0.214 347 D C 0.893 177.186 176.300 -0.010 0.000 1.063 347 D CA 0.604 54.617 54.000 0.022 0.000 0.847 347 D CB 0.567 41.373 40.800 0.010 0.000 0.933 347 D HN 0.166 nan 8.370 nan 0.000 0.513 348 K N -1.102 119.292 120.400 -0.009 0.000 2.538 348 K HA 0.155 4.475 4.320 0.001 0.000 0.215 348 K C -0.103 176.239 176.600 -0.430 0.000 1.345 348 K CA 0.052 56.225 56.287 -0.190 0.000 0.985 348 K CB 1.566 33.958 32.500 -0.181 0.000 1.116 348 K HN -0.126 nan 8.250 nan 0.000 0.582 349 F N 0.562 120.508 119.950 -0.007 0.000 2.603 349 F HA 0.508 5.035 4.527 0.001 0.000 0.317 349 F C -0.488 175.301 175.800 -0.017 0.000 1.066 349 F CA -1.453 56.536 58.000 -0.018 0.000 0.941 349 F CB 1.360 40.338 39.000 -0.037 0.000 1.291 349 F HN -0.233 nan 8.300 nan 0.000 0.472 350 A N 1.814 124.731 122.820 0.161 0.000 2.347 350 A HA 0.629 4.950 4.320 0.001 0.000 0.287 350 A C -0.943 176.585 177.584 -0.093 0.000 1.199 350 A CA -0.299 51.752 52.037 0.023 0.000 0.851 350 A CB -0.159 18.780 19.000 -0.101 0.000 1.118 350 A HN 0.506 nan 8.150 nan 0.000 0.525 351 V N 2.327 122.227 119.914 -0.023 0.000 2.604 351 V HA 0.754 4.874 4.120 0.001 0.000 0.305 351 V C 0.284 176.372 176.094 -0.011 0.000 1.043 351 V CA -0.327 61.971 62.300 -0.003 0.000 0.888 351 V CB 1.849 33.745 31.823 0.122 0.000 0.995 351 V HN 0.971 nan 8.190 nan 0.000 0.429 352 S N 2.275 117.935 115.700 -0.065 0.000 2.618 352 S HA 0.939 5.409 4.470 0.001 0.000 0.277 352 S C -0.662 173.788 174.600 -0.250 0.000 1.138 352 S CA 0.122 58.260 58.200 -0.103 0.000 0.844 352 S CB 2.128 65.252 63.200 -0.127 0.000 1.127 352 S HN 1.262 nan 8.310 nan 0.000 0.474 353 S N 1.063 116.549 115.700 -0.357 0.000 2.688 353 S HA 0.905 5.376 4.470 0.001 0.000 0.275 353 S C -1.436 172.966 174.600 -0.331 0.000 1.175 353 S CA -0.825 56.998 58.200 -0.628 0.000 0.818 353 S CB 1.204 63.576 63.200 -1.381 0.000 1.157 353 S HN 1.383 nan 8.310 nan 0.000 0.482 354 F N -0.735 118.972 119.950 -0.405 0.000 2.631 354 F HA 0.793 5.321 4.527 0.001 0.000 0.308 354 F C -1.573 174.124 175.800 -0.173 0.000 1.097 354 F CA -0.898 56.912 58.000 -0.318 0.000 0.952 354 F CB 1.148 39.876 39.000 -0.455 0.000 1.307 354 F HN 0.608 nan 8.300 nan 0.000 0.450 355 D N 1.867 122.409 120.400 0.238 0.000 2.303 355 D HA 0.340 4.981 4.640 0.001 0.000 0.236 355 D C 0.733 177.327 176.300 0.490 0.000 1.068 355 D CA -0.334 53.795 54.000 0.215 0.000 0.830 355 D CB 1.835 42.725 40.800 0.150 0.000 1.109 355 D HN 0.763 nan 8.370 nan 0.000 0.496 356 R N 2.276 122.998 120.500 0.370 0.000 2.120 356 R HA -0.075 4.266 4.340 0.001 0.000 0.234 356 R C 1.602 178.014 176.300 0.187 0.000 1.123 356 R CA 1.078 57.402 56.100 0.374 0.000 0.975 356 R CB 0.271 30.710 30.300 0.232 0.000 0.866 356 R HN 0.389 nan 8.270 nan 0.000 0.446 357 K N 0.247 120.726 120.400 0.132 0.000 2.439 357 K HA -0.074 4.247 4.320 0.001 0.000 0.197 357 K C 0.915 177.537 176.600 0.038 0.000 1.041 357 K CA 0.621 56.943 56.287 0.058 0.000 0.970 357 K CB 0.272 32.800 32.500 0.047 0.000 0.773 357 K HN 0.108 nan 8.250 nan 0.000 0.479 358 E N 1.006 121.275 120.200 0.115 0.000 2.474 358 E HA 0.000 4.351 4.350 0.001 0.000 0.195 358 E C -0.116 176.340 176.600 -0.241 0.000 1.039 358 E CA 0.081 56.538 56.400 0.094 0.000 0.881 358 E CB 0.201 30.094 29.700 0.320 0.000 0.970 358 E HN 0.311 nan 8.360 nan 0.000 0.486 359 E N 3.068 122.906 120.200 -0.604 0.000 2.366 359 E HA 0.042 4.393 4.350 0.001 0.000 0.266 359 E C -2.013 174.116 176.600 -0.786 0.000 1.015 359 E CA -1.436 54.144 56.400 -1.368 0.000 0.906 359 E CB 0.673 29.838 29.700 -0.892 0.000 0.979 359 E HN -0.085 nan 8.360 nan 0.000 0.443 360 P HA 0.272 nan 4.420 nan 0.000 0.278 360 P C -2.624 174.472 177.300 -0.340 0.000 1.258 360 P CA -1.501 61.343 63.100 -0.427 0.000 0.811 360 P CB 0.626 32.124 31.700 -0.336 0.000 1.063 361 P HA 0.109 nan 4.420 nan 0.000 0.274 361 P C -0.484 176.745 177.300 -0.119 0.000 1.246 361 P CA -0.078 62.934 63.100 -0.145 0.000 0.795 361 P CB -0.021 31.619 31.700 -0.099 0.000 1.006 362 N N -2.573 116.074 118.700 -0.087 0.000 2.818 362 N HA -0.113 4.627 4.740 0.001 0.000 0.250 362 N C -0.134 175.346 175.510 -0.050 0.000 1.108 362 N CA 1.113 54.129 53.050 -0.057 0.000 0.745 362 N CB -1.845 36.616 38.487 -0.042 0.000 1.104 362 N HN 0.421 nan 8.380 nan 0.000 0.557 363 V N -4.946 114.926 119.914 -0.070 0.000 3.130 363 V HA 0.821 4.942 4.120 0.001 0.000 0.310 363 V C 0.179 176.262 176.094 -0.017 0.000 1.158 363 V CA -0.857 61.424 62.300 -0.033 0.000 1.029 363 V CB 2.161 33.961 31.823 -0.037 0.000 1.057 363 V HN 0.003 nan 8.190 nan 0.000 0.436 364 S N 1.261 116.976 115.700 0.024 0.000 2.475 364 S HA 0.481 4.952 4.470 0.001 0.000 0.281 364 S C 0.481 175.114 174.600 0.055 0.000 1.198 364 S CA -0.062 58.154 58.200 0.026 0.000 1.063 364 S CB 0.372 63.585 63.200 0.021 0.000 0.972 364 S HN 1.080 nan 8.310 nan 0.000 0.486 368 W N 3.043 124.233 121.300 -0.183 0.000 2.332 368 W HA -0.067 4.594 4.660 0.001 0.000 0.321 368 W C 2.102 178.417 176.519 -0.339 0.000 1.219 368 W CA 2.862 60.087 57.345 -0.199 0.000 1.277 368 W CB -0.798 28.553 29.460 -0.182 0.000 1.161 368 W HN 0.163 nan 8.180 nan 0.000 0.476 369 G N -0.481 107.781 108.800 -0.897 0.000 2.440 369 G HA2 -0.302 3.659 3.960 0.001 0.000 0.218 369 G HA3 -0.302 3.659 3.960 0.001 0.000 0.218 369 G C 1.422 175.709 174.900 -1.021 0.000 1.154 369 G CA 1.828 45.826 45.100 -1.836 0.000 0.767 369 G HN 0.337 nan 8.290 nan 0.000 0.552 370 T N 0.179 114.383 114.554 -0.583 0.000 2.746 370 T HA -0.063 4.288 4.350 0.001 0.000 0.267 370 T C 2.221 176.717 174.700 -0.340 0.000 1.039 370 T CA 1.454 63.368 62.100 -0.309 0.000 1.142 370 T CB -0.134 68.626 68.868 -0.180 0.000 0.866 370 T HN 0.340 nan 8.240 nan 0.000 0.444 371 K N 0.537 120.757 120.400 -0.300 0.000 2.032 371 K HA -0.104 4.217 4.320 0.001 0.000 0.209 371 K C 2.181 178.598 176.600 -0.305 0.000 1.048 371 K CA 1.113 57.299 56.287 -0.168 0.000 0.927 371 K CB -0.196 32.287 32.500 -0.028 0.000 0.712 371 K HN 0.172 nan 8.250 nan 0.000 0.441 372 I N 1.418 121.686 120.570 -0.503 0.000 2.091 372 I HA -0.276 3.895 4.170 0.001 0.000 0.239 372 I C 2.586 178.524 176.117 -0.298 0.000 1.061 372 I CA 1.735 62.761 61.300 -0.456 0.000 1.317 372 I CB -1.637 35.906 38.000 -0.762 0.000 1.031 372 I HN 0.237 nan 8.210 nan 0.000 0.401 373 A N 0.022 122.671 122.820 -0.284 0.000 1.908 373 A HA -0.253 4.068 4.320 0.001 0.000 0.218 373 A C 2.590 180.042 177.584 -0.221 0.000 1.181 373 A CA 2.101 54.022 52.037 -0.192 0.000 0.627 373 A CB -1.232 17.685 19.000 -0.138 0.000 0.818 373 A HN 0.557 nan 8.150 nan 0.000 0.445 374 C N -0.780 118.265 119.300 -0.425 0.000 2.446 374 C HA -0.062 4.398 4.460 0.001 0.000 0.277 374 C C 2.650 177.351 174.990 -0.483 0.000 1.275 374 C CA 1.123 59.740 59.018 -0.669 0.000 1.727 374 C CB -1.253 25.518 27.740 -1.615 0.000 2.010 374 C HN 0.690 nan 8.230 nan 0.000 0.486 375 E N 0.607 120.614 120.200 -0.321 0.000 2.106 375 E HA -0.216 4.135 4.350 0.001 0.000 0.192 375 E C 2.162 178.773 176.600 0.018 0.000 0.984 375 E CA 0.863 57.288 56.400 0.042 0.000 0.806 375 E CB -0.169 29.596 29.700 0.110 0.000 0.750 375 E HN 0.581 nan 8.360 nan 0.000 0.458 376 K N 0.348 120.735 120.400 -0.023 0.000 2.057 376 K HA -0.151 4.169 4.320 0.001 0.000 0.206 376 K C 1.821 178.456 176.600 0.057 0.000 1.050 376 K CA 1.023 57.316 56.287 0.010 0.000 0.935 376 K CB -0.075 32.419 32.500 -0.011 0.000 0.715 376 K HN 0.069 nan 8.250 nan 0.000 0.439 377 F N 0.567 120.465 119.950 -0.087 0.000 2.512 377 F HA 0.179 4.706 4.527 0.001 0.000 0.296 377 F C 0.778 176.563 175.800 -0.026 0.000 1.110 377 F CA 1.107 59.073 58.000 -0.058 0.000 1.446 377 F CB 0.322 39.273 39.000 -0.082 0.000 1.092 377 F HN 0.216 nan 8.300 nan 0.000 0.554 378 G N 0.906 109.685 108.800 -0.035 0.000 2.289 378 G HA2 0.194 4.155 3.960 0.001 0.000 0.280 378 G HA3 0.194 4.155 3.960 0.001 0.000 0.280 378 G C 0.375 175.273 174.900 -0.003 0.000 1.089 378 G CA 0.105 45.178 45.100 -0.044 0.000 0.939 378 G HN 1.347 nan 8.290 nan 0.000 0.499 379 G N -2.614 106.318 108.800 0.219 0.000 2.332 379 G HA2 0.474 4.435 3.960 0.001 0.000 0.265 379 G HA3 0.474 4.435 3.960 0.001 0.000 0.265 379 G C -0.968 174.137 174.900 0.341 0.000 1.329 379 G CA 0.187 45.487 45.100 0.332 0.000 0.949 379 G HN 1.396 nan 8.290 nan 0.000 0.476 380 V N 3.280 123.370 119.914 0.293 0.000 2.334 380 V HA 0.588 4.709 4.120 0.001 0.000 0.281 380 V C -1.539 174.468 176.094 -0.146 0.000 1.016 380 V CA -0.898 61.423 62.300 0.036 0.000 0.832 380 V CB 1.326 33.169 31.823 0.033 0.000 0.999 380 V HN 0.707 nan 8.190 nan 0.000 0.439 381 P HA 0.316 nan 4.420 nan 0.000 0.282 381 P C -0.004 177.088 177.300 -0.347 0.000 1.287 381 P CA -0.320 62.243 63.100 -0.895 0.000 0.792 381 P CB 1.511 32.507 31.700 -1.174 0.000 1.163 382 D N -0.684 119.583 120.400 -0.223 0.000 2.149 382 D HA 0.070 4.711 4.640 0.001 0.000 0.201 382 D C 0.748 176.966 176.300 -0.137 0.000 0.972 382 D CA 1.424 55.381 54.000 -0.072 0.000 0.835 382 D CB 0.218 41.106 40.800 0.146 0.000 0.966 382 D HN 0.333 nan 8.370 nan 0.000 0.476 383 I N 0.582 121.059 120.570 -0.156 0.000 2.647 383 I HA 0.336 4.506 4.170 0.001 0.000 0.295 383 I C -0.701 175.364 176.117 -0.087 0.000 1.078 383 I CA -0.647 60.579 61.300 -0.123 0.000 1.048 383 I CB 3.040 40.969 38.000 -0.118 0.000 1.239 383 I HN -0.322 nan 8.210 nan 0.000 0.421 384 I N 6.037 126.577 120.570 -0.051 0.000 2.439 384 I HA 0.300 4.471 4.170 0.001 0.000 0.283 384 I C -1.004 175.104 176.117 -0.014 0.000 1.023 384 I CA -0.631 60.634 61.300 -0.057 0.000 1.100 384 I CB 1.295 39.267 38.000 -0.046 0.000 1.238 384 I HN 0.512 nan 8.210 nan 0.000 0.445 385 Y N 5.417 125.620 120.300 -0.163 0.000 2.650 385 Y HA 0.846 5.396 4.550 0.001 0.000 0.331 385 Y C -1.141 174.472 175.900 -0.478 0.000 1.082 385 Y CA -1.008 56.962 58.100 -0.217 0.000 1.171 385 Y CB 1.398 39.819 38.460 -0.066 0.000 1.326 385 Y HN 0.518 nan 8.280 nan 0.000 0.513 386 D N -0.094 120.085 120.400 -0.368 0.000 2.803 386 D HA 0.195 4.835 4.640 0.001 0.000 0.218 386 D C -0.813 175.243 176.300 -0.408 0.000 1.245 386 D CA -0.816 52.796 54.000 -0.645 0.000 0.821 386 D CB 1.776 41.905 40.800 -1.119 0.000 1.626 386 D HN 0.822 nan 8.370 nan 0.000 0.487 387 R N 0.830 121.124 120.500 -0.343 0.000 2.328 387 R HA 0.340 4.681 4.340 0.001 0.000 0.206 387 R C 1.203 177.332 176.300 -0.285 0.000 0.990 387 R CA 0.713 56.577 56.100 -0.394 0.000 1.085 387 R CB -0.416 29.770 30.300 -0.191 0.000 0.998 387 R HN 0.730 nan 8.270 nan 0.000 0.484 388 G N -0.592 108.071 108.800 -0.228 0.000 2.642 388 G HA2 -0.083 3.877 3.960 0.001 0.000 0.231 388 G HA3 -0.083 3.877 3.960 0.001 0.000 0.231 388 G C -0.027 174.843 174.900 -0.049 0.000 1.338 388 G CA -0.692 44.339 45.100 -0.116 0.000 0.883 388 G HN 0.552 nan 8.290 nan 0.000 0.570 389 G N -1.677 107.111 108.800 -0.019 0.000 2.435 389 G HA2 0.635 4.596 3.960 0.001 0.000 0.296 389 G HA3 0.635 4.596 3.960 0.001 0.000 0.296 389 G C -0.845 174.057 174.900 0.003 0.000 1.240 389 G CA 0.630 45.730 45.100 0.001 0.000 0.872 389 G HN 1.390 nan 8.290 nan 0.000 0.480 390 E N 0.508 120.713 120.200 0.007 0.000 2.415 390 E HA 0.426 4.777 4.350 0.001 0.000 0.260 390 E C 1.291 177.895 176.600 0.005 0.000 1.016 390 E CA 1.570 57.973 56.400 0.004 0.000 0.924 390 E CB 0.044 29.746 29.700 0.003 0.000 0.961 390 E HN 2.037 nan 8.360 nan 0.000 0.459 391 G N 4.420 113.221 108.800 0.002 0.000 2.180 391 G HA2 -0.270 3.690 3.960 0.001 0.000 0.263 391 G HA3 -0.270 3.690 3.960 0.001 0.000 0.263 391 G C -0.225 174.676 174.900 0.002 0.000 0.989 391 G CA 0.620 45.721 45.100 0.000 0.000 0.692 391 G HN 0.405 nan 8.290 nan 0.000 0.526 392 K N 0.911 121.313 120.400 0.004 0.000 2.545 392 K HA 0.316 4.637 4.320 0.001 0.000 0.252 392 K C 0.398 176.993 176.600 -0.009 0.000 0.948 392 K CA -0.497 55.794 56.287 0.007 0.000 0.827 392 K CB 1.672 34.190 32.500 0.031 0.000 1.128 392 K HN 0.736 nan 8.250 nan 0.000 0.429 393 E N 3.193 123.386 120.200 -0.012 0.000 2.373 393 E HA 0.305 4.655 4.350 0.001 0.000 0.263 393 E C -2.065 174.504 176.600 -0.052 0.000 1.073 393 E CA -1.612 54.774 56.400 -0.022 0.000 0.894 393 E CB 0.135 29.830 29.700 -0.008 0.000 1.008 393 E HN 0.087 nan 8.360 nan 0.000 0.420 397 R N 4.918 125.420 120.500 0.003 0.000 2.437 397 R HA 0.728 5.069 4.340 0.001 0.000 0.310 397 R C -1.198 175.063 176.300 -0.066 0.000 0.955 397 R CA -0.855 55.234 56.100 -0.019 0.000 0.851 397 R CB 2.629 32.931 30.300 0.003 0.000 1.161 397 R HN 0.213 nan 8.270 nan 0.000 0.446 398 V N 5.332 125.193 119.914 -0.087 0.000 2.394 398 V HA 0.368 4.489 4.120 0.001 0.000 0.282 398 V C -0.291 175.749 176.094 -0.090 0.000 1.031 398 V CA -0.710 61.515 62.300 -0.124 0.000 0.881 398 V CB 1.229 32.955 31.823 -0.163 0.000 0.982 398 V HN 0.500 nan 8.190 nan 0.000 0.451 399 L N 3.826 124.998 121.223 -0.085 0.000 2.313 399 L HA 1.052 5.393 4.340 0.001 0.000 0.268 399 L C 0.585 177.431 176.870 -0.040 0.000 1.010 399 L CA 0.146 54.950 54.840 -0.060 0.000 0.814 399 L CB 1.942 43.962 42.059 -0.064 0.000 1.304 399 L HN 0.837 nan 8.230 nan 0.000 0.441 400 G N -0.330 108.454 108.800 -0.026 0.000 2.495 400 G HA2 0.318 4.279 3.960 0.001 0.000 0.294 400 G HA3 0.318 4.279 3.960 0.001 0.000 0.294 400 G C -0.176 174.719 174.900 -0.008 0.000 1.397 400 G CA -0.716 44.380 45.100 -0.008 0.000 0.790 400 G HN 0.376 nan 8.290 nan 0.000 0.486 401 R N -0.559 119.942 120.500 0.002 0.000 2.081 401 R HA 0.053 4.393 4.340 0.001 0.000 0.235 401 R C 0.462 176.758 176.300 -0.007 0.000 1.131 401 R CA 2.328 58.425 56.100 -0.004 0.000 0.960 401 R CB -0.065 30.238 30.300 0.005 0.000 0.856 401 R HN 0.747 nan 8.270 nan 0.000 0.436 402 D N -3.988 116.413 120.400 0.002 0.000 2.626 402 D HA 0.263 4.903 4.640 0.001 0.000 0.278 402 D C -0.069 176.232 176.300 0.003 0.000 1.211 402 D CA -0.256 53.746 54.000 0.004 0.000 0.903 402 D CB 0.638 41.448 40.800 0.016 0.000 1.408 402 D HN -0.110 nan 8.370 nan 0.000 0.454 403 A N -0.003 122.818 122.820 0.001 0.000 2.024 403 A HA -0.081 4.239 4.320 0.001 0.000 0.220 403 A C 1.990 179.572 177.584 -0.003 0.000 1.164 403 A CA 1.251 53.281 52.037 -0.012 0.000 0.643 403 A CB -1.039 17.952 19.000 -0.016 0.000 0.806 403 A HN 0.612 nan 8.150 nan 0.000 0.451 404 I N -0.909 119.684 120.570 0.038 0.000 2.252 404 I HA -0.229 3.942 4.170 0.001 0.000 0.245 404 I C 2.515 178.653 176.117 0.036 0.000 1.102 404 I CA 1.479 62.818 61.300 0.064 0.000 1.385 404 I CB -0.462 37.633 38.000 0.158 0.000 1.064 404 I HN 0.410 nan 8.210 nan 0.000 0.414 405 E N 0.539 120.759 120.200 0.034 0.000 2.077 405 E HA -0.180 4.171 4.350 0.001 0.000 0.193 405 E C 2.367 178.973 176.600 0.009 0.000 0.989 405 E CA 1.312 57.730 56.400 0.029 0.000 0.800 405 E CB 0.036 29.754 29.700 0.030 0.000 0.746 405 E HN 0.263 nan 8.360 nan 0.000 0.452 406 V N 0.775 120.680 119.914 -0.015 0.000 2.255 406 V HA -0.271 3.850 4.120 0.001 0.000 0.247 406 V C 2.370 178.420 176.094 -0.074 0.000 1.051 406 V CA 1.573 63.845 62.300 -0.047 0.000 1.018 406 V CB -0.455 31.331 31.823 -0.061 0.000 0.641 406 V HN 0.155 nan 8.190 nan 0.000 0.445 407 V N -0.335 119.527 119.914 -0.087 0.000 2.392 407 V HA -0.234 3.887 4.120 0.001 0.000 0.249 407 V C 2.568 178.610 176.094 -0.087 0.000 1.059 407 V CA 1.690 63.911 62.300 -0.132 0.000 1.051 407 V CB -0.768 30.967 31.823 -0.147 0.000 0.658 407 V HN 0.488 nan 8.190 nan 0.000 0.455 408 K N 0.447 120.828 120.400 -0.032 0.000 2.057 408 K HA -0.152 4.168 4.320 0.001 0.000 0.207 408 K C 2.135 178.757 176.600 0.038 0.000 1.049 408 K CA 1.322 57.614 56.287 0.007 0.000 0.931 408 K CB -0.310 32.211 32.500 0.035 0.000 0.714 408 K HN 0.480 nan 8.250 nan 0.000 0.440 409 K N 0.595 121.021 120.400 0.044 0.000 2.057 409 K HA -0.055 4.266 4.320 0.001 0.000 0.206 409 K C 2.174 178.768 176.600 -0.009 0.000 1.050 409 K CA 0.914 57.262 56.287 0.102 0.000 0.935 409 K CB -0.180 32.354 32.500 0.056 0.000 0.715 409 K HN -0.133 nan 8.250 nan 0.000 0.439 410 V N 1.893 121.754 119.914 -0.089 0.000 2.392 410 V HA -0.274 3.847 4.120 0.001 0.000 0.249 410 V C 2.332 178.396 176.094 -0.050 0.000 1.059 410 V CA 1.997 64.226 62.300 -0.118 0.000 1.051 410 V CB -0.449 31.259 31.823 -0.191 0.000 0.658 410 V HN 0.418 nan 8.190 nan 0.000 0.455 411 E N 0.047 120.227 120.200 -0.033 0.000 2.085 411 E HA -0.201 4.150 4.350 0.001 0.000 0.194 411 E C 2.147 178.779 176.600 0.054 0.000 0.994 411 E CA 1.721 58.124 56.400 0.005 0.000 0.801 411 E CB -0.061 29.637 29.700 -0.002 0.000 0.743 411 E HN 0.420 nan 8.360 nan 0.000 0.453 412 V N 1.164 121.135 119.914 0.095 0.000 2.343 412 V HA -0.269 3.852 4.120 0.001 0.000 0.247 412 V C 2.370 178.558 176.094 0.157 0.000 1.051 412 V CA 1.776 64.170 62.300 0.156 0.000 1.036 412 V CB -0.413 31.586 31.823 0.293 0.000 0.654 412 V HN 0.360 nan 8.190 nan 0.000 0.451 413 I N -0.219 120.412 120.570 0.101 0.000 2.226 413 I HA -0.288 3.883 4.170 0.001 0.000 0.245 413 I C 2.652 178.810 176.117 0.068 0.000 1.100 413 I CA 1.703 63.022 61.300 0.032 0.000 1.374 413 I CB -0.382 37.534 38.000 -0.141 0.000 1.057 413 I HN 0.342 nan 8.210 nan 0.000 0.413 414 Q N 1.663 121.508 119.800 0.076 0.000 2.096 414 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 414 Q C 2.037 178.118 176.000 0.134 0.000 0.982 414 Q CA 1.821 57.703 55.803 0.130 0.000 0.850 414 Q CB -0.098 28.722 28.738 0.137 0.000 0.901 414 Q HN 0.328 nan 8.270 nan 0.000 0.422 415 K N -0.320 120.137 120.400 0.095 0.000 2.097 415 K HA -0.110 4.211 4.320 0.001 0.000 0.206 415 K C 2.061 178.700 176.600 0.066 0.000 1.049 415 K CA 1.513 57.842 56.287 0.071 0.000 0.933 415 K CB -0.183 32.352 32.500 0.058 0.000 0.717 415 K HN 0.302 nan 8.250 nan 0.000 0.442 416 I N -0.285 120.337 120.570 0.086 0.000 2.202 416 I HA -0.274 3.897 4.170 0.001 0.000 0.242 416 I C 2.295 178.460 176.117 0.080 0.000 1.091 416 I CA 1.036 62.380 61.300 0.073 0.000 1.368 416 I CB -0.263 37.789 38.000 0.087 0.000 1.058 416 I HN 0.117 nan 8.210 nan 0.000 0.410 417 Y N 2.489 122.773 120.300 -0.027 0.000 2.274 417 Y HA -0.261 4.290 4.550 0.001 0.000 0.290 417 Y C 2.358 178.237 175.900 -0.035 0.000 1.145 417 Y CA 1.375 59.447 58.100 -0.047 0.000 1.203 417 Y CB -0.493 37.930 38.460 -0.062 0.000 0.984 417 Y HN 0.210 nan 8.280 nan 0.000 0.533 418 N N -0.535 118.135 118.700 -0.049 0.000 2.094 418 N HA -0.189 4.552 4.740 0.001 0.000 0.191 418 N C 1.744 177.151 175.510 -0.171 0.000 1.023 418 N CA 2.120 55.096 53.050 -0.123 0.000 0.857 418 N CB -0.772 37.700 38.487 -0.025 0.000 1.013 418 N HN 0.382 nan 8.380 nan 0.000 0.426 419 T N 2.031 116.517 114.554 -0.115 0.000 2.777 419 T HA 0.016 4.367 4.350 0.001 0.000 0.266 419 T C 2.142 176.768 174.700 -0.123 0.000 1.040 419 T CA 0.650 62.697 62.100 -0.089 0.000 1.141 419 T CB -0.168 68.672 68.868 -0.047 0.000 0.868 419 T HN 0.148 nan 8.240 nan 0.000 0.444 420 L N 0.682 121.785 121.223 -0.200 0.000 2.005 420 L HA -0.054 4.286 4.340 0.001 0.000 0.207 420 L C 2.780 179.472 176.870 -0.297 0.000 1.072 420 L CA 1.513 56.221 54.840 -0.220 0.000 0.744 420 L CB -0.659 41.272 42.059 -0.213 0.000 0.895 420 L HN 0.300 nan 8.230 nan 0.000 0.433 421 E N 0.473 120.294 120.200 -0.633 0.000 2.160 421 E HA -0.202 4.149 4.350 0.001 0.000 0.195 421 E C 2.129 178.584 176.600 -0.240 0.000 0.991 421 E CA 1.183 57.254 56.400 -0.549 0.000 0.810 421 E CB -0.099 29.139 29.700 -0.769 0.000 0.742 421 E HN 0.492 nan 8.360 nan 0.000 0.466 422 G N 0.880 109.565 108.800 -0.190 0.000 2.433 422 G HA2 -0.250 3.711 3.960 0.001 0.000 0.216 422 G HA3 -0.250 3.711 3.960 0.001 0.000 0.216 422 G C 0.937 175.795 174.900 -0.070 0.000 1.186 422 G CA 0.646 45.682 45.100 -0.106 0.000 0.779 422 G HN 0.337 nan 8.290 nan 0.000 0.543 423 H N 0.000 118.997 119.070 -0.121 0.000 2.539 423 H HA 0.000 4.557 4.556 0.001 0.000 0.296 423 H CA 0.000 55.994 56.048 -0.090 0.000 1.023 423 H CB 0.000 29.710 29.762 -0.086 0.000 1.292 423 H HN 0.000 nan 8.280 nan 0.000 0.496