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 1dg4_1_A DATA FIRST_RESID 397 DATA SEQUENCE LSLGIETMGG VMTTLIAKNT TIPTKHSQVF STAEDNQSAV TIHVLQGERK DATA SEQUENCE RAADNKSLGQ FNLDGINPAP RGMPQIEVTF DIDADGILHV SAKDKNSGKE DATA SEQUENCE QKITIKASSG L 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 397 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 397 L C 0.000 176.870 176.870 0.000 0.000 1.165 397 L CA 0.000 54.842 54.840 0.003 0.000 0.813 397 L CB 0.000 42.062 42.059 0.005 0.000 0.961 398 S N 1.532 117.228 115.700 -0.007 0.000 2.558 398 S HA -0.075 4.382 4.470 -0.021 0.000 0.293 398 S C -1.616 172.980 174.600 -0.006 0.000 1.292 398 S CA 1.322 59.514 58.200 -0.015 0.000 1.063 398 S CB 0.462 63.649 63.200 -0.021 0.000 0.831 398 S HN 0.088 8.393 8.310 -0.008 0.000 0.499 399 L N 5.697 126.913 121.223 -0.012 0.000 2.504 399 L HA 0.644 5.179 4.340 0.014 -0.187 0.265 399 L C -1.867 174.994 176.870 -0.016 0.000 0.975 399 L CA -0.491 54.352 54.840 0.006 0.000 0.864 399 L CB 2.983 45.060 42.059 0.031 0.000 1.212 399 L HN 0.150 8.364 8.230 -0.027 0.000 0.416 400 G N 4.225 113.018 108.800 -0.013 0.000 2.601 400 G HA2 0.841 4.763 3.960 -0.088 0.000 0.317 400 G HA3 0.841 4.769 3.960 -0.048 0.003 0.317 400 G C -2.456 172.467 174.900 0.038 0.000 1.246 400 G CA -2.020 43.061 45.100 -0.032 0.000 1.012 400 G HN -0.159 8.130 8.290 -0.001 0.000 0.494 401 I N -7.570 113.029 120.570 0.048 0.000 3.023 401 I HA 0.950 5.360 4.170 0.141 -0.156 0.312 401 I C -1.580 174.592 176.117 0.091 0.000 1.056 401 I CA -2.998 58.374 61.300 0.122 0.000 1.033 401 I CB 4.075 42.204 38.000 0.214 0.000 1.233 401 I HN -0.337 7.868 8.210 -0.008 0.000 0.462 402 E N 1.847 122.127 120.200 0.133 0.000 2.104 402 E HA -0.079 4.434 4.350 0.063 -0.125 0.278 402 E C 0.106 176.767 176.600 0.101 0.000 1.127 402 E CA 0.413 56.877 56.400 0.106 0.000 0.897 402 E CB 0.287 30.066 29.700 0.133 0.000 1.043 402 E HN -0.207 8.265 8.360 0.187 0.000 0.410 403 T N 4.544 119.134 114.554 0.059 0.000 2.910 403 T HA 0.308 4.708 4.350 0.084 0.000 0.279 403 T C -0.197 174.532 174.700 0.047 0.000 0.989 403 T CA -2.222 59.911 62.100 0.056 0.000 0.968 403 T CB 2.324 71.208 68.868 0.027 0.000 1.135 403 T HN 0.605 8.868 8.240 0.038 0.000 0.562 404 M N 0.226 119.855 119.600 0.049 0.000 2.286 404 M HA -0.395 4.110 4.480 0.042 0.000 0.365 404 M C 0.372 176.686 176.300 0.024 0.000 1.443 404 M CA 2.313 57.636 55.300 0.038 0.000 0.951 404 M CB 0.051 32.673 32.600 0.038 0.000 1.961 404 M HN 0.465 8.788 8.290 0.056 0.000 0.468 405 G N 3.798 112.609 108.800 0.018 0.000 2.145 405 G HA2 -0.243 3.721 3.960 0.007 0.000 0.176 405 G HA3 -0.243 3.722 3.960 0.008 0.000 0.176 405 G C -0.265 174.637 174.900 0.003 0.000 1.013 405 G CA -0.586 44.520 45.100 0.009 0.000 0.689 405 G HN 0.556 8.859 8.290 0.021 0.000 0.506 406 G N -1.351 107.450 108.800 0.003 0.000 2.273 406 G HA2 -0.408 3.702 3.960 -0.018 0.000 0.280 406 G HA3 -0.408 3.542 3.960 -0.018 0.000 0.280 406 G C -1.153 173.741 174.900 -0.010 0.000 1.047 406 G CA 0.295 45.389 45.100 -0.011 0.000 0.869 406 G HN -0.072 8.225 8.290 0.011 0.000 0.502 407 V N -0.698 119.216 119.914 0.000 0.000 2.789 407 V HA 0.328 4.444 4.120 -0.006 0.000 0.311 407 V C -2.139 173.958 176.094 0.004 0.000 1.073 407 V CA -1.848 60.451 62.300 -0.001 0.000 0.921 407 V CB 3.993 35.815 31.823 -0.002 0.000 1.009 407 V HN -0.649 7.547 8.190 0.009 0.000 0.426 408 M N 8.157 127.757 119.600 -0.001 0.000 2.233 408 M HA 0.520 5.208 4.480 0.012 -0.201 0.350 408 M C -1.164 175.126 176.300 -0.017 0.000 1.176 408 M CA -0.441 54.859 55.300 -0.001 0.000 1.150 408 M CB 1.380 33.979 32.600 -0.002 0.000 1.530 408 M HN 0.634 8.921 8.290 -0.005 0.000 0.459 409 T N 6.627 121.163 114.554 -0.031 0.000 2.890 409 T HA 0.362 4.679 4.350 -0.055 0.000 0.295 409 T C -0.507 174.129 174.700 -0.107 0.000 0.993 409 T CA -0.558 61.505 62.100 -0.063 0.000 0.979 409 T CB 2.826 71.656 68.868 -0.064 0.000 0.967 409 T HN 0.476 8.703 8.240 -0.023 0.000 0.441 410 T N 9.080 123.571 114.554 -0.106 0.000 3.462 410 T HA -0.100 4.162 4.350 -0.146 0.000 0.257 410 T C -0.097 174.474 174.700 -0.215 0.000 1.015 410 T CA 1.369 63.385 62.100 -0.140 0.000 1.135 410 T CB -1.274 67.537 68.868 -0.096 0.000 1.061 410 T HN 0.530 8.722 8.240 -0.080 0.000 0.772 411 L N 5.580 126.590 121.223 -0.355 0.000 2.492 411 L HA -0.046 4.108 4.340 -0.309 0.000 0.223 411 L C -0.496 176.055 176.870 -0.531 0.000 1.132 411 L CA 0.784 55.336 54.840 -0.481 0.000 0.850 411 L CB 0.939 42.575 42.059 -0.705 0.000 0.966 411 L HN 0.187 8.168 8.230 -0.395 0.012 0.454 412 I N -3.442 116.859 120.570 -0.448 0.000 2.787 412 I HA 0.128 4.145 4.170 -0.256 0.000 0.294 412 I C -3.012 173.005 176.117 -0.168 0.000 1.365 412 I CA -0.888 60.233 61.300 -0.297 0.000 1.029 412 I CB 3.745 41.565 38.000 -0.299 0.000 1.313 412 I HN -0.771 7.162 8.210 -0.391 0.042 0.431 413 A N 4.777 127.532 122.820 -0.109 0.000 2.346 413 A HA 0.457 4.735 4.320 -0.069 0.000 0.313 413 A C 0.159 177.721 177.584 -0.036 0.000 1.140 413 A CA -1.770 50.226 52.037 -0.070 0.000 0.826 413 A CB 2.865 21.824 19.000 -0.069 0.000 1.332 413 A HN 0.686 8.774 8.150 -0.104 0.000 0.457 414 K N 0.271 120.657 120.400 -0.023 0.000 2.074 414 K HA -0.320 4.001 4.320 0.002 0.000 0.209 414 K C -0.547 176.049 176.600 -0.006 0.000 1.048 414 K CA 2.358 58.640 56.287 -0.007 0.000 0.926 414 K CB -0.267 32.231 32.500 -0.005 0.000 0.713 414 K HN 0.427 8.662 8.250 -0.026 0.000 0.444 415 N N -3.926 114.765 118.700 -0.015 0.000 2.761 415 N HA 0.118 4.855 4.740 -0.005 0.000 0.317 415 N C -0.412 175.087 175.510 -0.019 0.000 1.546 415 N CA -0.831 52.211 53.050 -0.012 0.000 1.015 415 N CB -0.529 37.950 38.487 -0.013 0.000 1.343 415 N HN -0.210 8.152 8.380 -0.022 0.005 0.504 416 T N 5.944 120.486 114.554 -0.021 0.000 4.508 416 T HA -0.067 4.259 4.350 -0.041 0.000 0.232 416 T C -0.977 173.716 174.700 -0.011 0.000 1.027 416 T CA 0.854 62.937 62.100 -0.028 0.000 0.999 416 T CB -1.225 67.621 68.868 -0.037 0.000 1.402 416 T HN -0.546 7.620 8.240 -0.016 0.064 1.003 417 T N 1.761 116.309 114.554 -0.010 0.000 3.549 417 T HA -0.435 3.914 4.350 -0.002 0.000 0.398 417 T C -1.247 173.458 174.700 0.008 0.000 0.766 417 T CA 1.285 63.384 62.100 -0.002 0.000 2.007 417 T CB -1.084 67.781 68.868 -0.005 0.000 1.727 417 T HN 0.088 8.251 8.240 -0.014 0.069 0.693 418 I N -4.144 116.432 120.570 0.010 0.000 3.060 418 I HA 0.190 4.376 4.170 0.027 0.000 0.285 418 I C -1.011 175.118 176.117 0.020 0.000 1.190 418 I CA -2.900 58.412 61.300 0.020 0.000 1.363 418 I CB -0.992 37.020 38.000 0.020 0.000 1.396 418 I HN -0.424 7.790 8.210 0.007 0.000 0.607 419 P HA 0.190 4.633 4.420 0.039 0.000 0.276 419 P C -1.829 175.497 177.300 0.043 0.000 1.252 419 P CA -0.522 62.600 63.100 0.037 0.000 0.802 419 P CB 1.324 33.047 31.700 0.038 0.000 1.035 420 T N -1.641 112.949 114.554 0.060 0.000 2.718 420 T HA 0.221 4.609 4.350 0.064 0.000 0.306 420 T C -2.584 172.178 174.700 0.104 0.000 1.485 420 T CA -0.507 61.636 62.100 0.071 0.000 0.997 420 T CB 0.958 69.861 68.868 0.058 0.000 1.504 420 T HN -0.169 8.113 8.240 0.070 0.000 0.497 421 K N 3.017 123.491 120.400 0.124 0.000 2.761 421 K HA 0.370 4.914 4.320 0.162 -0.127 0.257 421 K C -1.978 174.741 176.600 0.199 0.000 1.053 421 K CA 0.152 56.526 56.287 0.145 0.000 1.035 421 K CB 1.495 34.053 32.500 0.098 0.000 1.267 421 K HN 0.109 8.431 8.250 0.119 0.000 0.505 422 H N 6.633 125.792 119.070 0.148 0.000 2.463 422 H HA 0.198 4.827 4.556 0.122 0.000 0.332 422 H C -1.723 173.741 175.328 0.227 0.000 1.127 422 H CA -0.340 55.813 56.048 0.175 0.000 1.238 422 H CB 3.373 33.241 29.762 0.177 0.000 1.478 422 H HN 0.851 9.341 8.280 0.351 0.000 0.499 423 S N 4.429 119.904 115.700 -0.375 0.000 2.486 423 S HA 0.118 4.511 4.470 -0.128 0.000 0.144 423 S C -1.201 173.233 174.600 -0.276 0.000 1.542 423 S CA -0.414 57.653 58.200 -0.221 0.000 1.262 423 S CB -0.905 62.247 63.200 -0.081 0.000 1.462 423 S HN 0.326 8.324 8.310 -0.520 0.000 0.381 424 Q N 1.597 121.173 119.800 -0.374 0.000 2.874 424 Q HA 0.071 4.400 4.340 -0.018 0.000 0.303 424 Q C -1.691 174.370 176.000 0.100 0.000 0.876 424 Q CA 0.441 56.174 55.803 -0.117 0.000 0.765 424 Q CB 2.750 31.457 28.738 -0.052 0.000 1.478 424 Q HN -0.338 7.692 8.270 -0.399 0.000 0.434 425 V N -3.950 116.058 119.914 0.157 0.000 5.562 425 V HA -0.296 3.910 4.120 0.142 0.000 0.232 425 V C -2.123 174.126 176.094 0.258 0.000 0.694 425 V CA 1.809 64.219 62.300 0.183 0.000 0.574 425 V CB -1.133 30.792 31.823 0.171 0.000 0.230 425 V HN 0.299 8.562 8.190 0.120 0.000 0.568 426 F N 3.792 123.792 119.950 0.082 0.000 2.831 426 F HA 0.419 5.012 4.527 0.109 0.000 0.346 426 F C -1.331 174.457 175.800 -0.019 0.000 1.224 426 F CA -0.752 57.272 58.000 0.039 0.000 1.048 426 F CB 1.633 40.574 39.000 -0.099 0.000 1.339 426 F HN -0.368 8.090 8.300 0.254 -0.006 0.514 427 S N 5.785 121.697 115.700 0.354 0.000 2.564 427 S HA 0.247 4.757 4.470 0.067 0.000 0.274 427 S C -1.097 173.578 174.600 0.124 0.000 1.124 427 S CA -1.379 56.908 58.200 0.145 0.000 0.869 427 S CB 2.748 66.006 63.200 0.097 0.000 1.105 427 S HN -0.086 8.470 8.310 0.410 0.000 0.472 428 T N 0.797 115.375 114.554 0.040 0.000 2.851 428 T HA 0.114 4.488 4.350 0.039 0.000 0.298 428 T C -0.515 174.203 174.700 0.031 0.000 0.977 428 T CA 0.036 62.149 62.100 0.022 0.000 1.126 428 T CB 0.738 69.591 68.868 -0.025 0.000 0.916 428 T HN 0.082 8.327 8.240 0.008 0.000 0.529 429 A N 4.422 127.263 122.820 0.036 0.000 2.324 429 A HA 0.107 4.448 4.320 0.034 0.000 0.220 429 A C -0.660 176.937 177.584 0.021 0.000 1.209 429 A CA 0.440 52.498 52.037 0.036 0.000 0.918 429 A CB 0.539 19.569 19.000 0.050 0.000 0.959 429 A HN 0.279 8.451 8.150 0.036 0.000 0.507 430 E N -0.137 120.070 120.200 0.012 0.000 1.814 430 E HA -0.079 4.279 4.350 0.012 0.000 0.264 430 E C 0.454 177.055 176.600 0.001 0.000 1.179 430 E CA -0.278 56.126 56.400 0.007 0.000 0.972 430 E CB -1.269 28.431 29.700 -0.001 0.000 1.077 430 E HN -0.230 8.088 8.360 0.007 0.046 0.417 431 D N 4.645 125.048 120.400 0.004 0.000 2.178 431 D HA -0.283 4.357 4.640 0.000 0.000 0.202 431 D C 0.507 176.807 176.300 -0.000 0.000 0.974 431 D CA 3.235 57.236 54.000 0.002 0.000 0.841 431 D CB 0.021 40.823 40.800 0.004 0.000 0.953 431 D HN -0.062 8.313 8.370 0.008 0.000 0.478 432 N N -3.987 114.713 118.700 0.000 0.000 2.336 432 N HA -0.039 4.700 4.740 -0.001 0.000 0.189 432 N C -0.003 175.506 175.510 -0.002 0.000 1.113 432 N CA -0.079 52.971 53.050 -0.000 0.000 0.858 432 N CB 0.125 38.612 38.487 0.001 0.000 0.970 432 N HN 0.183 8.534 8.380 0.002 0.031 0.471 433 Q N -1.124 118.673 119.800 -0.005 0.000 2.699 433 Q HA 0.257 4.593 4.340 -0.008 0.000 0.240 433 Q C -0.850 175.142 176.000 -0.013 0.000 1.033 433 Q CA -1.258 54.539 55.803 -0.009 0.000 0.938 433 Q CB 2.700 31.430 28.738 -0.013 0.000 1.312 433 Q HN -0.577 7.518 8.270 -0.004 0.173 0.507 434 S N -1.416 114.273 115.700 -0.018 0.000 2.740 434 S HA 0.452 5.131 4.470 -0.020 -0.221 0.244 434 S C -1.651 172.931 174.600 -0.031 0.000 1.101 434 S CA -0.487 57.700 58.200 -0.021 0.000 1.123 434 S CB 0.359 63.549 63.200 -0.017 0.000 1.012 434 S HN 0.269 8.568 8.310 -0.019 0.000 0.491 435 A N 0.310 123.106 122.820 -0.040 0.000 2.602 435 A HA 0.423 4.775 4.320 -0.061 -0.068 0.290 435 A C -2.545 174.990 177.584 -0.082 0.000 1.114 435 A CA -0.633 51.367 52.037 -0.061 0.000 0.683 435 A CB 3.223 22.186 19.000 -0.061 0.000 1.281 435 A HN -0.500 7.629 8.150 -0.035 0.000 0.416 436 V N -1.123 118.712 119.914 -0.131 0.000 2.547 436 V HA 0.322 4.542 4.120 -0.117 -0.171 0.299 436 V C -1.628 174.294 176.094 -0.287 0.000 1.040 436 V CA -2.307 59.886 62.300 -0.178 0.000 0.913 436 V CB 3.887 35.592 31.823 -0.197 0.000 0.992 436 V HN 0.655 8.656 8.190 -0.142 0.104 0.449 437 T N 6.248 120.651 114.554 -0.252 0.000 3.077 437 T HA 0.390 4.579 4.350 -0.511 -0.145 0.359 437 T C -0.902 173.599 174.700 -0.331 0.000 1.108 437 T CA -1.770 60.126 62.100 -0.340 0.000 1.170 437 T CB 0.904 69.683 68.868 -0.148 0.000 1.045 437 T HN 0.493 8.937 8.240 -0.150 -0.294 0.505 438 I N 5.991 126.270 120.570 -0.484 0.000 2.441 438 I HA -0.030 4.144 4.170 0.008 0.000 0.287 438 I C -1.219 174.721 176.117 -0.295 0.000 1.049 438 I CA -0.694 60.495 61.300 -0.184 0.000 1.381 438 I CB 1.506 39.532 38.000 0.045 0.000 1.409 438 I HN 0.038 7.749 8.210 -0.832 0.000 0.523 439 H N 7.237 126.351 119.070 0.073 0.000 2.495 439 H HA 0.336 5.053 4.556 0.087 -0.109 0.348 439 H C -1.238 174.155 175.328 0.108 0.000 1.113 439 H CA -1.250 54.846 56.048 0.080 0.000 1.195 439 H CB 2.438 32.228 29.762 0.047 0.000 1.521 439 H HN 0.411 8.834 8.280 0.238 0.000 0.509 440 V N 3.590 123.628 119.914 0.207 0.000 2.350 440 V HA 0.067 4.292 4.120 0.175 0.000 0.276 440 V C -1.813 174.357 176.094 0.126 0.000 1.028 440 V CA -0.587 61.812 62.300 0.165 0.000 0.860 440 V CB 0.901 32.817 31.823 0.154 0.000 0.990 440 V HN 0.774 8.971 8.190 0.195 0.111 0.453 441 L N 7.568 128.852 121.223 0.102 0.000 2.324 441 L HA 0.349 4.848 4.340 0.070 -0.118 0.274 441 L C -2.022 174.877 176.870 0.048 0.000 1.012 441 L CA -1.391 53.491 54.840 0.070 0.000 0.859 441 L CB 0.389 42.483 42.059 0.059 0.000 1.224 441 L HN 0.760 9.052 8.230 0.103 0.000 0.429 442 Q N 4.707 124.533 119.800 0.043 0.000 2.314 442 Q HA 0.157 4.662 4.340 0.027 -0.149 0.258 442 Q C -0.018 175.993 176.000 0.019 0.000 0.954 442 Q CA -0.467 55.354 55.803 0.029 0.000 0.890 442 Q CB 2.030 30.786 28.738 0.030 0.000 1.210 442 Q HN 0.377 8.676 8.270 0.049 0.000 0.410 443 G N 5.476 114.282 108.800 0.010 0.000 2.539 443 G HA2 -0.311 3.650 3.960 0.003 0.000 0.686 443 G HA3 -0.311 3.795 3.960 0.006 -0.142 0.686 443 G C -2.688 172.211 174.900 -0.002 0.000 1.258 443 G CA -0.399 44.703 45.100 0.004 0.000 0.846 443 G HN -0.129 8.167 8.290 0.008 0.000 0.647 444 E N 0.621 120.818 120.200 -0.006 0.000 2.055 444 E HA 0.123 4.464 4.350 -0.014 0.000 0.274 444 E C -0.681 175.913 176.600 -0.010 0.000 0.949 444 E CA -1.149 55.245 56.400 -0.011 0.000 0.775 444 E CB 0.579 30.270 29.700 -0.014 0.000 1.097 444 E HN 0.102 8.459 8.360 -0.005 0.000 0.404 445 R N 4.823 125.316 120.500 -0.011 0.000 2.736 445 R HA 0.033 4.367 4.340 -0.010 0.000 0.250 445 R C -1.506 174.788 176.300 -0.011 0.000 1.098 445 R CA -0.698 55.396 56.100 -0.009 0.000 0.978 445 R CB 1.887 32.183 30.300 -0.006 0.000 1.263 445 R HN 0.130 8.393 8.270 -0.013 0.000 0.460 446 K N 1.818 122.212 120.400 -0.011 0.000 1.973 446 K HA -0.269 4.043 4.320 -0.014 0.000 0.212 446 K C 0.017 176.611 176.600 -0.010 0.000 1.047 446 K CA 2.525 58.805 56.287 -0.012 0.000 0.937 446 K CB 0.274 32.767 32.500 -0.011 0.000 0.721 446 K HN 0.162 8.406 8.250 -0.010 0.000 0.440 447 R N -2.229 118.265 120.500 -0.010 0.000 2.537 447 R HA -0.219 4.115 4.340 -0.011 0.000 0.280 447 R C 1.627 177.920 176.300 -0.011 0.000 1.058 447 R CA 0.626 56.720 56.100 -0.011 0.000 1.057 447 R CB 0.245 30.538 30.300 -0.012 0.000 0.973 447 R HN -0.210 8.054 8.270 -0.009 0.000 0.438 448 A N 5.584 128.396 122.820 -0.014 0.000 2.016 448 A HA -0.087 4.231 4.320 -0.003 0.000 0.217 448 A C 0.701 178.270 177.584 -0.025 0.000 1.162 448 A CA 2.719 54.748 52.037 -0.014 0.000 0.662 448 A CB -0.188 18.801 19.000 -0.018 0.000 0.812 448 A HN 0.128 8.268 8.150 -0.017 0.000 0.450 449 A N -5.299 117.502 122.820 -0.032 0.000 2.208 449 A HA -0.092 4.200 4.320 -0.047 0.000 0.209 449 A C -0.329 177.243 177.584 -0.020 0.000 1.161 449 A CA 0.831 52.846 52.037 -0.036 0.000 0.782 449 A CB -0.181 18.795 19.000 -0.039 0.000 0.816 449 A HN 0.238 8.349 8.150 -0.030 0.021 0.477 450 D N -1.788 118.603 120.400 -0.014 0.000 2.424 450 D HA 0.140 4.775 4.640 -0.008 0.000 0.220 450 D C -1.289 175.008 176.300 -0.004 0.000 1.150 450 D CA -0.044 53.951 54.000 -0.009 0.000 0.831 450 D CB 0.211 41.006 40.800 -0.008 0.000 0.981 450 D HN -0.533 7.645 8.370 -0.014 0.183 0.500 451 N N -1.093 117.606 118.700 -0.002 0.000 2.262 451 N HA 0.061 4.804 4.740 0.004 0.000 0.295 451 N C -1.420 174.098 175.510 0.012 0.000 1.161 451 N CA -0.822 52.231 53.050 0.005 0.000 0.767 451 N CB 2.752 41.243 38.487 0.006 0.000 1.499 451 N HN -0.719 7.587 8.380 -0.005 0.071 0.476 452 K N 2.939 123.349 120.400 0.017 0.000 2.171 452 K HA 0.131 4.463 4.320 0.019 0.000 0.274 452 K C -0.940 175.681 176.600 0.035 0.000 1.110 452 K CA -0.115 56.185 56.287 0.022 0.000 0.952 452 K CB -0.822 31.690 32.500 0.019 0.000 1.309 452 K HN 0.393 8.652 8.250 0.015 0.000 0.414 453 S N 4.256 119.981 115.700 0.041 0.000 2.580 453 S HA 0.587 5.333 4.470 0.075 -0.232 0.274 453 S C 0.464 175.100 174.600 0.061 0.000 1.329 453 S CA 0.162 58.401 58.200 0.064 0.000 1.036 453 S CB 0.884 64.129 63.200 0.076 0.000 0.919 453 S HN 0.062 8.390 8.310 0.031 0.000 0.515 454 L N -4.065 117.202 121.223 0.073 0.000 3.635 454 L HA 0.607 4.981 4.340 0.057 0.000 0.338 454 L C -1.224 175.690 176.870 0.073 0.000 1.275 454 L CA -0.656 54.222 54.840 0.063 0.000 1.092 454 L CB -0.194 41.895 42.059 0.050 0.000 1.465 454 L HN 0.233 8.515 8.230 0.086 0.000 0.625 455 G N -0.005 108.852 108.800 0.096 0.000 2.733 455 G HA2 0.163 4.177 3.960 0.090 0.000 0.297 455 G HA3 0.163 4.185 3.960 0.104 0.000 0.297 455 G C -3.003 171.970 174.900 0.122 0.000 1.452 455 G CA 0.831 45.993 45.100 0.103 0.000 0.940 455 G HN -0.383 7.973 8.290 0.111 0.000 0.547 456 Q N -0.150 119.712 119.800 0.102 0.000 2.594 456 Q HA 0.601 5.067 4.340 0.040 -0.102 0.278 456 Q C -2.009 174.053 176.000 0.102 0.000 0.961 456 Q CA -0.969 54.853 55.803 0.030 0.000 0.844 456 Q CB 3.622 32.307 28.738 -0.088 0.000 1.475 456 Q HN 0.141 8.473 8.270 0.103 0.000 0.389 457 F N -0.353 119.520 119.950 -0.129 0.000 2.641 457 F HA 0.487 4.973 4.527 -0.069 0.000 0.308 457 F C -3.099 172.635 175.800 -0.111 0.000 1.105 457 F CA -0.545 57.402 58.000 -0.088 0.000 0.964 457 F CB 3.320 42.291 39.000 -0.048 0.000 1.294 457 F HN 0.571 8.785 8.300 -0.144 0.000 0.442 458 N N 1.137 119.638 118.700 -0.332 0.000 2.321 458 N HA 0.822 5.308 4.740 -0.698 -0.165 0.290 458 N C -1.909 173.487 175.510 -0.189 0.000 1.212 458 N CA -0.979 51.822 53.050 -0.414 0.000 0.767 458 N CB 3.264 41.633 38.487 -0.196 0.000 1.494 458 N HN 0.085 8.508 8.380 0.072 0.000 0.479 459 L N 0.647 121.755 121.223 -0.192 0.000 2.526 459 L HA 0.367 4.703 4.340 -0.005 0.000 0.263 459 L C -2.579 174.251 176.870 -0.067 0.000 0.943 459 L CA -0.528 54.280 54.840 -0.054 0.000 0.859 459 L CB 3.836 45.913 42.059 0.031 0.000 1.313 459 L HN 0.343 8.419 8.230 -0.257 0.000 0.406 460 D N 2.013 122.391 120.400 -0.037 0.000 2.217 460 D HA 0.092 4.703 4.640 -0.048 0.000 0.248 460 D C 0.145 176.429 176.300 -0.028 0.000 1.008 460 D CA -1.033 52.946 54.000 -0.036 0.000 0.914 460 D CB 1.753 42.538 40.800 -0.025 0.000 1.182 460 D HN 0.145 8.504 8.370 -0.018 0.000 0.451 461 G N 1.530 110.313 108.800 -0.028 0.000 2.427 461 G HA2 -0.370 3.578 3.960 -0.020 0.000 0.193 461 G HA3 -0.370 3.577 3.960 -0.021 0.000 0.193 461 G C -1.987 172.896 174.900 -0.029 0.000 1.086 461 G CA 0.048 45.133 45.100 -0.024 0.000 0.818 461 G HN 0.546 8.818 8.290 -0.030 0.000 0.490 462 I N -1.655 118.896 120.570 -0.033 0.000 2.894 462 I HA 0.246 4.395 4.170 -0.035 0.000 0.302 462 I C -2.870 173.229 176.117 -0.030 0.000 1.188 462 I CA -1.668 59.610 61.300 -0.037 0.000 1.014 462 I CB 3.982 41.950 38.000 -0.053 0.000 1.242 462 I HN -0.062 8.008 8.210 -0.031 0.121 0.430 463 N N 2.584 121.268 118.700 -0.026 0.000 2.598 463 N HA 0.521 5.250 4.740 -0.018 0.000 0.263 463 N C -1.758 173.743 175.510 -0.015 0.000 1.254 463 N CA -1.448 51.592 53.050 -0.018 0.000 0.863 463 N CB 2.309 40.788 38.487 -0.014 0.000 1.586 463 N HN 0.117 8.480 8.380 -0.029 0.000 0.491 464 P HA 0.032 4.450 4.420 -0.002 0.000 0.216 464 P C -0.631 176.668 177.300 -0.002 0.000 1.156 464 P CA 1.137 64.235 63.100 -0.002 0.000 0.855 464 P CB 0.462 32.165 31.700 0.004 0.000 0.786 465 A N -0.353 122.465 122.820 -0.003 0.000 2.351 465 A HA 0.232 4.551 4.320 -0.001 0.000 0.257 465 A C -1.798 175.783 177.584 -0.006 0.000 1.087 465 A CA -2.314 49.721 52.037 -0.003 0.000 0.798 465 A CB 0.073 19.072 19.000 -0.002 0.000 1.033 465 A HN -0.357 7.791 8.150 -0.003 0.000 0.488 466 P HA 0.115 4.530 4.420 -0.008 0.000 0.231 466 P C -0.530 176.766 177.300 -0.007 0.000 1.756 466 P CA -0.302 62.794 63.100 -0.007 0.000 0.990 466 P CB -1.739 29.958 31.700 -0.005 0.000 1.973 467 R N 0.594 121.090 120.500 -0.007 0.000 2.092 467 R HA -0.120 4.216 4.340 -0.006 0.000 0.231 467 R C 1.075 177.371 176.300 -0.008 0.000 1.119 467 R CA 2.267 58.362 56.100 -0.007 0.000 0.970 467 R CB 0.129 30.424 30.300 -0.008 0.000 0.864 467 R HN 0.393 8.597 8.270 -0.008 0.061 0.440 468 G N -3.583 105.211 108.800 -0.009 0.000 4.100 468 G HA2 0.199 4.154 3.960 -0.008 0.000 0.294 468 G HA3 0.199 4.153 3.960 -0.010 0.000 0.294 468 G C -1.630 173.264 174.900 -0.010 0.000 1.040 468 G CA -0.836 44.258 45.100 -0.009 0.000 0.829 468 G HN -0.003 8.280 8.290 -0.011 0.000 0.505 469 M N -1.036 118.559 119.600 -0.010 0.000 2.460 469 M HA -0.289 4.186 4.480 -0.009 0.000 0.182 469 M C -2.136 174.156 176.300 -0.013 0.000 0.903 469 M CA 0.391 55.685 55.300 -0.010 0.000 0.555 469 M CB -1.569 31.026 32.600 -0.008 0.000 1.106 469 M HN -0.753 7.390 8.290 -0.009 0.142 0.867 470 P HA 0.082 4.490 4.420 -0.019 0.000 0.286 470 P C -1.283 176.004 177.300 -0.022 0.000 1.293 470 P CA -0.285 62.803 63.100 -0.020 0.000 0.770 470 P CB 1.175 32.861 31.700 -0.023 0.000 1.206 471 Q N -1.433 118.350 119.800 -0.028 0.000 2.483 471 Q HA 0.274 4.596 4.340 -0.029 0.000 0.245 471 Q C -2.388 173.586 176.000 -0.044 0.000 0.902 471 Q CA -0.143 55.641 55.803 -0.031 0.000 0.767 471 Q CB 2.105 30.827 28.738 -0.026 0.000 1.341 471 Q HN 0.257 8.510 8.270 -0.030 0.000 0.453 472 I N 4.743 125.282 120.570 -0.053 0.000 2.534 472 I HA 0.691 4.998 4.170 -0.079 -0.185 0.288 472 I C -2.108 173.951 176.117 -0.097 0.000 1.077 472 I CA -1.329 59.925 61.300 -0.077 0.000 1.051 472 I CB 2.685 40.638 38.000 -0.078 0.000 1.234 472 I HN 0.134 8.316 8.210 -0.047 0.000 0.425 473 E N 8.921 129.043 120.200 -0.130 0.000 2.275 473 E HA 0.314 4.568 4.350 -0.160 0.000 0.270 473 E C -2.386 174.042 176.600 -0.287 0.000 0.882 473 E CA -1.869 54.429 56.400 -0.170 0.000 0.758 473 E CB 3.867 33.495 29.700 -0.121 0.000 1.195 473 E HN -0.110 8.174 8.360 -0.126 0.000 0.419 474 V N 6.913 126.540 119.914 -0.479 0.000 2.459 474 V HA 0.614 4.542 4.120 -0.611 -0.174 0.295 474 V C -0.425 175.160 176.094 -0.848 0.000 1.029 474 V CA -1.099 60.672 62.300 -0.882 0.000 0.874 474 V CB 1.718 32.597 31.823 -1.573 0.000 0.985 474 V HN 0.242 8.174 8.190 -0.429 0.000 0.438 475 T N 7.037 121.236 114.554 -0.591 0.000 2.888 475 T HA 0.372 4.661 4.350 -0.163 -0.036 0.284 475 T C -1.051 173.522 174.700 -0.212 0.000 1.017 475 T CA -0.792 61.143 62.100 -0.276 0.000 1.022 475 T CB 1.940 70.691 68.868 -0.195 0.000 1.013 475 T HN 0.859 8.655 8.240 -0.565 0.106 0.465 476 F N 3.784 123.859 119.950 0.208 0.000 2.291 476 F HA 0.148 4.793 4.527 0.196 0.000 0.368 476 F C -1.836 174.032 175.800 0.113 0.000 1.085 476 F CA -0.991 57.124 58.000 0.191 0.000 1.165 476 F CB 0.001 39.137 39.000 0.228 0.000 1.429 476 F HN 0.834 9.290 8.300 0.259 0.000 0.503 477 D N 4.530 125.042 120.400 0.188 0.000 2.274 477 D HA 0.348 5.089 4.640 0.167 0.000 0.239 477 D C -1.587 174.825 176.300 0.186 0.000 1.104 477 D CA 0.353 54.448 54.000 0.158 0.000 0.840 477 D CB 1.867 42.739 40.800 0.121 0.000 1.100 477 D HN 0.006 8.428 8.370 0.087 0.000 0.477 478 I N 4.330 124.994 120.570 0.157 0.000 2.336 478 I HA 0.484 4.916 4.170 0.134 -0.182 0.292 478 I C -1.150 175.026 176.117 0.097 0.000 0.991 478 I CA -1.762 59.612 61.300 0.123 0.000 1.227 478 I CB 2.494 40.550 38.000 0.094 0.000 1.366 478 I HN 0.354 8.653 8.210 0.148 0.000 0.466 479 D N 8.031 128.482 120.400 0.084 0.000 2.451 479 D HA 0.119 4.795 4.640 0.060 0.000 0.259 479 D C 0.418 176.741 176.300 0.039 0.000 1.201 479 D CA -0.918 53.116 54.000 0.057 0.000 1.028 479 D CB 3.804 44.628 40.800 0.041 0.000 1.095 479 D HN 0.289 8.603 8.370 0.089 0.108 0.539 480 A N -0.554 122.282 122.820 0.026 0.000 1.902 480 A HA -0.178 4.155 4.320 0.022 0.000 0.217 480 A C 0.337 177.931 177.584 0.017 0.000 1.181 480 A CA 2.849 54.897 52.037 0.020 0.000 0.623 480 A CB -0.226 18.782 19.000 0.013 0.000 0.818 480 A HN 0.336 8.498 8.150 0.021 0.000 0.443 481 D N -4.921 115.489 120.400 0.017 0.000 2.312 481 D HA -0.102 4.545 4.640 0.011 0.000 0.211 481 D C 0.553 176.864 176.300 0.019 0.000 0.964 481 D CA 1.205 55.213 54.000 0.015 0.000 0.877 481 D CB 0.010 40.817 40.800 0.012 0.000 0.924 481 D HN -0.087 8.289 8.370 0.016 0.004 0.515 482 G N -3.299 105.517 108.800 0.027 0.000 2.131 482 G HA2 -0.364 3.671 3.960 0.036 0.000 0.201 482 G HA3 -0.364 3.611 3.960 0.024 0.000 0.201 482 G C -0.843 174.082 174.900 0.042 0.000 1.000 482 G CA -0.222 44.897 45.100 0.032 0.000 0.680 482 G HN -0.399 7.715 8.290 0.030 0.195 0.514 483 I N -0.050 120.548 120.570 0.047 0.000 2.556 483 I HA -0.352 3.956 4.170 0.055 -0.106 0.284 483 I C -0.579 175.595 176.117 0.095 0.000 1.114 483 I CA 0.737 62.073 61.300 0.059 0.000 1.418 483 I CB 0.799 38.825 38.000 0.044 0.000 1.394 483 I HN -0.576 7.658 8.210 0.040 0.000 0.552 484 L N 8.049 129.337 121.223 0.108 0.000 2.342 484 L HA 0.030 4.585 4.340 0.165 -0.116 0.285 484 L C -1.353 175.625 176.870 0.179 0.000 1.095 484 L CA -0.187 54.744 54.840 0.152 0.000 0.843 484 L CB -0.412 41.741 42.059 0.157 0.000 1.201 484 L HN 0.710 8.995 8.230 0.091 0.000 0.445 485 H N 7.951 127.062 119.070 0.067 0.000 2.908 485 H HA 0.295 5.004 4.556 -0.015 -0.162 0.269 485 H C -1.152 174.186 175.328 0.017 0.000 1.303 485 H CA -2.089 53.969 56.048 0.016 0.000 1.341 485 H CB 0.219 29.980 29.762 -0.001 0.000 1.519 485 H HN 1.003 9.431 8.280 0.247 0.000 0.505 486 V N 9.766 129.620 119.914 -0.099 0.000 2.407 486 V HA 0.312 4.522 4.120 -0.118 -0.161 0.278 486 V C -1.662 174.191 176.094 -0.403 0.000 1.037 486 V CA -0.512 61.706 62.300 -0.137 0.000 0.900 486 V CB 1.606 33.504 31.823 0.124 0.000 0.983 486 V HN 0.690 8.879 8.190 -0.003 0.000 0.459 487 S N 7.179 122.628 115.700 -0.419 0.000 2.614 487 S HA 0.379 4.540 4.470 -0.514 0.000 0.288 487 S C -2.513 171.904 174.600 -0.304 0.000 1.137 487 S CA -1.055 56.878 58.200 -0.444 0.000 0.992 487 S CB 2.080 64.962 63.200 -0.530 0.000 1.026 487 S HN -0.113 7.977 8.310 -0.366 0.000 0.486 488 A N 5.813 128.555 122.820 -0.129 0.000 2.318 488 A HA 0.475 4.649 4.320 -0.243 0.000 0.324 488 A C -2.371 175.164 177.584 -0.081 0.000 1.170 488 A CA -1.739 50.239 52.037 -0.098 0.000 0.810 488 A CB 2.856 21.891 19.000 0.059 0.000 1.198 488 A HN 0.854 8.947 8.150 -0.095 0.000 0.484 489 K N 2.742 123.074 120.400 -0.112 0.000 2.545 489 K HA 0.590 5.000 4.320 -0.055 -0.122 0.252 489 K C -1.935 174.623 176.600 -0.071 0.000 0.948 489 K CA -1.494 54.745 56.287 -0.079 0.000 0.827 489 K CB 2.170 34.620 32.500 -0.084 0.000 1.128 489 K HN -0.184 7.974 8.250 -0.153 0.000 0.429 490 D N 7.686 128.056 120.400 -0.049 0.000 2.359 490 D HA 0.407 5.180 4.640 -0.053 -0.165 0.230 490 D C 0.595 176.874 176.300 -0.035 0.000 1.118 490 D CA 0.173 54.147 54.000 -0.044 0.000 0.844 490 D CB 1.699 42.478 40.800 -0.035 0.000 1.059 490 D HN 0.536 8.786 8.370 -0.038 0.097 0.493 491 K N 3.881 124.259 120.400 -0.036 0.000 2.228 491 K HA -0.128 4.176 4.320 -0.027 0.000 0.202 491 K C 1.259 177.846 176.600 -0.023 0.000 1.051 491 K CA 1.224 57.494 56.287 -0.028 0.000 0.960 491 K CB -0.167 32.316 32.500 -0.029 0.000 0.743 491 K HN 0.280 8.506 8.250 -0.041 0.000 0.458 492 N N -1.302 117.384 118.700 -0.023 0.000 2.173 492 N HA -0.121 4.608 4.740 -0.017 0.000 0.184 492 N C 1.213 176.713 175.510 -0.017 0.000 1.025 492 N CA 2.580 55.618 53.050 -0.019 0.000 0.852 492 N CB 0.279 38.754 38.487 -0.020 0.000 0.998 492 N HN -0.568 7.773 8.380 -0.028 0.023 0.427 493 S N -2.566 113.123 115.700 -0.019 0.000 2.470 493 S HA 0.021 4.483 4.470 -0.014 0.000 0.225 493 S C 0.826 175.417 174.600 -0.014 0.000 1.006 493 S CA 0.335 58.525 58.200 -0.016 0.000 0.934 493 S CB 0.778 63.968 63.200 -0.017 0.000 0.778 493 S HN -0.201 8.095 8.310 -0.022 0.000 0.517 494 G N 0.014 108.804 108.800 -0.016 0.000 2.141 494 G HA2 -0.421 3.536 3.960 -0.016 0.000 0.242 494 G HA3 -0.421 3.532 3.960 -0.012 0.000 0.242 494 G C -0.967 173.925 174.900 -0.013 0.000 0.982 494 G CA 0.100 45.191 45.100 -0.015 0.000 0.662 494 G HN -0.259 7.894 8.290 -0.020 0.125 0.527 495 K N 0.662 121.053 120.400 -0.014 0.000 2.218 495 K HA 0.016 4.332 4.320 -0.006 0.000 0.276 495 K C -0.943 175.649 176.600 -0.013 0.000 1.022 495 K CA -0.085 56.197 56.287 -0.009 0.000 0.946 495 K CB 0.742 33.239 32.500 -0.005 0.000 1.000 495 K HN -0.524 7.668 8.250 -0.016 0.048 0.468 496 E N 2.194 122.389 120.200 -0.009 0.000 2.293 496 E HA 0.522 4.997 4.350 -0.019 -0.137 0.270 496 E C -1.370 175.229 176.600 -0.001 0.000 0.879 496 E CA -1.108 55.283 56.400 -0.014 0.000 0.756 496 E CB 3.374 33.061 29.700 -0.022 0.000 1.208 496 E HN 0.269 8.626 8.360 -0.005 0.000 0.428 497 Q N 2.243 122.043 119.800 0.000 0.000 2.295 497 Q HA 0.343 4.664 4.340 -0.031 0.000 0.268 497 Q C -2.573 173.307 176.000 -0.200 0.000 1.010 497 Q CA -0.708 55.090 55.803 -0.010 0.000 0.856 497 Q CB 4.224 33.033 28.738 0.119 0.000 1.349 497 Q HN 0.636 8.904 8.270 -0.004 0.000 0.412 498 K N 1.898 122.096 120.400 -0.336 0.000 2.551 498 K HA 0.740 4.644 4.320 -0.895 -0.121 0.269 498 K C -2.211 174.138 176.600 -0.419 0.000 0.949 498 K CA -1.640 54.353 56.287 -0.491 0.000 0.849 498 K CB 3.829 36.245 32.500 -0.141 0.000 1.411 498 K HN 0.107 8.229 8.250 -0.212 0.000 0.432 499 I N 1.481 121.800 120.570 -0.418 0.000 2.607 499 I HA 0.300 4.378 4.170 -0.152 0.000 0.290 499 I C -2.300 173.808 176.117 -0.015 0.000 1.129 499 I CA -1.249 59.909 61.300 -0.237 0.000 1.042 499 I CB 3.808 41.605 38.000 -0.338 0.000 1.242 499 I HN 0.927 8.784 8.210 -0.419 0.101 0.421 500 T N 6.532 121.098 114.554 0.019 0.000 2.779 500 T HA 0.567 5.165 4.350 0.108 -0.182 0.280 500 T C -0.826 173.901 174.700 0.045 0.000 0.987 500 T CA -1.965 60.166 62.100 0.052 0.000 0.966 500 T CB 1.053 69.919 68.868 -0.003 0.000 0.933 500 T HN 0.040 8.274 8.240 -0.010 0.000 0.442 501 I N 0.555 121.165 120.570 0.066 0.000 2.512 501 I HA 0.442 4.641 4.170 0.048 0.000 0.287 501 I C -1.561 174.591 176.117 0.058 0.000 1.069 501 I CA -1.610 59.727 61.300 0.062 0.000 1.056 501 I CB 2.958 41.005 38.000 0.078 0.000 1.229 501 I HN 0.641 8.904 8.210 0.087 0.000 0.429 502 K N 6.582 127.008 120.400 0.043 0.000 2.397 502 K HA -0.130 4.212 4.320 0.036 0.000 0.265 502 K C -0.985 175.639 176.600 0.040 0.000 0.982 502 K CA 1.026 57.335 56.287 0.037 0.000 0.931 502 K CB 0.202 32.717 32.500 0.026 0.000 0.943 502 K HN 0.333 8.605 8.250 0.036 0.000 0.501 503 A N 0.299 123.140 122.820 0.034 0.000 3.253 503 A HA 0.202 4.541 4.320 0.031 0.000 0.290 503 A C -2.450 175.146 177.584 0.020 0.000 0.950 503 A CA -0.770 51.285 52.037 0.029 0.000 0.986 503 A CB -0.553 18.465 19.000 0.031 0.000 1.104 503 A HN 0.173 8.341 8.150 0.031 0.000 0.481 504 S N -1.416 114.295 115.700 0.019 0.000 2.565 504 S HA 0.156 4.632 4.470 0.011 0.000 0.269 504 S C -1.309 173.299 174.600 0.013 0.000 1.153 504 S CA -0.605 57.603 58.200 0.014 0.000 0.835 504 S CB 2.065 65.273 63.200 0.012 0.000 1.122 504 S HN -0.663 7.660 8.310 0.021 0.000 0.462 505 S N 0.435 116.141 115.700 0.010 0.000 3.391 505 S HA -0.324 4.151 4.470 0.008 0.000 0.458 505 S C -0.957 173.650 174.600 0.011 0.000 0.812 505 S CA -0.168 58.037 58.200 0.009 0.000 1.366 505 S CB -0.421 62.785 63.200 0.009 0.000 0.943 505 S HN 0.590 8.905 8.310 0.008 0.000 0.680 506 G N 2.128 110.934 108.800 0.010 0.000 2.506 506 G HA2 0.158 4.125 3.960 0.012 0.000 0.292 506 G HA3 0.158 4.126 3.960 0.014 0.000 0.292 506 G C -2.473 172.432 174.900 0.009 0.000 1.425 506 G CA 0.056 45.163 45.100 0.011 0.000 0.788 506 G HN -0.345 7.950 8.290 0.008 0.000 0.490 507 L N 0.000 121.229 121.223 0.009 0.000 2.949 507 L HA 0.000 4.343 4.340 0.006 0.000 0.249 507 L CA 0.000 54.844 54.840 0.007 0.000 0.813 507 L CB 0.000 42.062 42.059 0.006 0.000 0.961 507 L HN 0.000 8.237 8.230 0.011 0.000 0.502