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 2qms_1_D DATA FIRST_RESID 420 DATA SEQUENCE SLSAAIHRTQ LWFHGRISRE ESQRLIGQQG LVDGLFLVRE SQRNPQGFVL DATA SEQUENCE SLCHLQKVKH YLILPSEEEG RLYFSMDDGQ TRFTDLLQLV EFHQLNRGIL DATA SEQUENCE PCLLRHCCTR VAL 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 420 S HA 0.000 nan 4.470 nan 0.000 0.327 420 S C 0.000 174.611 174.600 0.018 0.000 1.055 420 S CA 0.000 58.207 58.200 0.011 0.000 1.107 420 S CB 0.000 63.205 63.200 0.009 0.000 0.593 421 L N 3.328 124.562 121.223 0.019 0.000 1.989 421 L HA 0.013 4.353 4.340 0.001 0.000 0.211 421 L C 2.314 179.207 176.870 0.037 0.000 1.071 421 L CA 3.359 58.214 54.840 0.024 0.000 0.749 421 L CB -0.939 41.132 42.059 0.020 0.000 0.890 421 L HN 0.630 nan 8.230 nan 0.000 0.431 422 S N -0.537 115.187 115.700 0.040 0.000 2.402 422 S HA -0.088 4.382 4.470 0.001 0.000 0.229 422 S C 2.089 176.737 174.600 0.080 0.000 1.021 422 S CA 0.779 59.015 58.200 0.059 0.000 0.974 422 S CB -1.054 62.177 63.200 0.052 0.000 0.800 422 S HN 0.558 nan 8.310 nan 0.000 0.484 423 A N 2.287 125.135 122.820 0.046 0.000 1.898 423 A HA 0.328 4.648 4.320 0.001 0.000 0.216 423 A C 2.539 180.172 177.584 0.082 0.000 1.181 423 A CA 1.615 53.672 52.037 0.034 0.000 0.620 423 A CB -1.471 17.528 19.000 -0.001 0.000 0.819 423 A HN 0.753 nan 8.150 nan 0.000 0.442 424 A N 0.530 123.386 122.820 0.061 0.000 1.883 424 A HA -0.100 4.220 4.320 0.001 0.000 0.217 424 A C 2.010 179.638 177.584 0.073 0.000 1.186 424 A CA 1.705 53.777 52.037 0.058 0.000 0.624 424 A CB -0.666 18.355 19.000 0.034 0.000 0.822 424 A HN 1.107 nan 8.150 nan 0.000 0.444 425 I N -2.501 118.111 120.570 0.071 0.000 3.928 425 I HA 0.167 4.338 4.170 0.001 0.000 0.335 425 I C 1.706 177.851 176.117 0.048 0.000 1.325 425 I CA 0.889 62.214 61.300 0.042 0.000 1.107 425 I CB -0.673 37.339 38.000 0.021 0.000 1.014 425 I HN 0.523 nan 8.210 nan 0.000 0.400 426 H N 2.115 121.194 119.070 0.016 0.000 2.400 426 H HA -0.252 4.305 4.556 0.001 0.000 0.295 426 H C 1.967 177.314 175.328 0.033 0.000 1.118 426 H CA 2.146 58.211 56.048 0.027 0.000 1.256 426 H CB -0.238 29.540 29.762 0.027 0.000 1.365 426 H HN 0.345 nan 8.280 nan 0.000 0.502 427 R N 1.036 121.249 120.500 -0.478 0.000 2.334 427 R HA 0.193 4.533 4.340 0.001 0.000 0.216 427 R C -0.350 175.842 176.300 -0.180 0.000 0.905 427 R CA 0.235 56.087 56.100 -0.414 0.000 1.064 427 R CB -0.065 29.996 30.300 -0.398 0.000 1.046 427 R HN 0.302 nan 8.270 nan 0.000 0.508 428 T N 1.462 115.942 114.554 -0.123 0.000 2.897 428 T HA 0.208 4.558 4.350 0.001 0.000 0.294 428 T C -0.434 174.190 174.700 -0.126 0.000 1.004 428 T CA -0.159 61.874 62.100 -0.111 0.000 1.106 428 T CB 1.169 69.989 68.868 -0.081 0.000 0.949 428 T HN 0.028 nan 8.240 nan 0.000 0.520 429 Q N 3.331 122.987 119.800 -0.240 0.000 2.571 429 Q HA 0.307 4.647 4.340 0.001 0.000 0.243 429 Q C 0.672 176.252 176.000 -0.699 0.000 1.055 429 Q CA -0.148 55.366 55.803 -0.482 0.000 0.815 429 Q CB 0.802 29.161 28.738 -0.632 0.000 1.151 429 Q HN 0.649 nan 8.270 nan 0.000 0.519 430 L N 0.304 121.294 121.223 -0.389 0.000 2.552 430 L HA 0.004 4.345 4.340 0.001 0.000 0.227 430 L C 1.762 178.555 176.870 -0.130 0.000 1.146 430 L CA 0.387 55.094 54.840 -0.222 0.000 0.858 430 L CB -0.257 41.754 42.059 -0.080 0.000 0.969 430 L HN 0.570 nan 8.230 nan 0.000 0.451 431 W N -1.140 120.195 121.300 0.057 0.000 2.678 431 W HA 0.001 4.661 4.660 0.001 0.000 0.256 431 W C 0.717 177.399 176.519 0.272 0.000 1.280 431 W CA -0.532 56.830 57.345 0.027 0.000 1.345 431 W CB -0.704 28.720 29.460 -0.060 0.000 1.118 431 W HN -0.059 nan 8.180 nan 0.000 0.629 432 F N 2.762 122.639 119.950 -0.122 0.000 2.424 432 F HA 0.235 4.763 4.527 0.000 0.000 0.356 432 F C 1.334 177.180 175.800 0.077 0.000 1.110 432 F CA -0.318 57.694 58.000 0.021 0.000 1.161 432 F CB 0.498 39.276 39.000 -0.369 0.000 1.115 432 F HN -0.088 nan 8.300 nan 0.000 0.507 433 H N 4.174 122.825 119.070 -0.699 0.000 2.755 433 H HA 0.224 4.780 4.556 0.001 0.000 0.273 433 H C 1.437 176.403 175.328 -0.603 0.000 1.055 433 H CA 0.268 56.026 56.048 -0.483 0.000 1.191 433 H CB 0.490 30.109 29.762 -0.239 0.000 1.536 433 H HN 0.919 nan 8.280 nan 0.000 0.529 434 G N 2.089 110.218 108.800 -1.120 0.000 2.566 434 G HA2 -0.365 3.596 3.960 0.001 0.000 0.280 434 G HA3 -0.365 3.596 3.960 0.001 0.000 0.280 434 G C 0.155 174.937 174.900 -0.196 0.000 1.225 434 G CA -0.158 44.636 45.100 -0.509 0.000 0.966 434 G HN 0.410 nan 8.290 nan 0.000 0.560 435 R N 1.108 121.564 120.500 -0.073 0.000 2.893 435 R HA 0.438 4.778 4.340 0.001 0.000 0.243 435 R C 0.478 176.755 176.300 -0.038 0.000 1.481 435 R CA 0.357 56.432 56.100 -0.042 0.000 1.250 435 R CB -1.019 29.270 30.300 -0.019 0.000 1.213 435 R HN 0.619 nan 8.270 nan 0.000 0.609 436 I N -0.865 119.683 120.570 -0.036 0.000 2.892 436 I HA 0.531 4.701 4.170 0.001 0.000 0.306 436 I C 0.019 176.121 176.117 -0.025 0.000 1.078 436 I CA -0.932 60.358 61.300 -0.017 0.000 1.032 436 I CB 2.234 40.243 38.000 0.015 0.000 1.229 436 I HN 0.200 nan 8.210 nan 0.000 0.435 437 S N 3.678 119.363 115.700 -0.025 0.000 2.645 437 S HA 0.372 4.842 4.470 0.001 0.000 0.266 437 S C 1.025 175.593 174.600 -0.054 0.000 1.258 437 S CA -0.379 57.797 58.200 -0.041 0.000 0.990 437 S CB 1.419 64.596 63.200 -0.039 0.000 0.967 437 S HN 0.944 nan 8.310 nan 0.000 0.556 438 R N 0.446 120.883 120.500 -0.105 0.000 2.083 438 R HA -0.141 4.199 4.340 0.001 0.000 0.237 438 R C 1.676 177.922 176.300 -0.091 0.000 1.137 438 R CA 2.007 57.989 56.100 -0.197 0.000 0.951 438 R CB -0.532 29.569 30.300 -0.331 0.000 0.851 438 R HN 0.775 nan 8.270 nan 0.000 0.434 439 E N 0.458 120.619 120.200 -0.065 0.000 2.058 439 E HA -0.231 4.119 4.350 0.001 0.000 0.194 439 E C 1.738 178.337 176.600 -0.002 0.000 0.997 439 E CA 1.755 58.141 56.400 -0.025 0.000 0.801 439 E CB -0.245 29.439 29.700 -0.026 0.000 0.746 439 E HN 0.523 nan 8.360 nan 0.000 0.450 440 E N 0.511 120.708 120.200 -0.006 0.000 2.072 440 E HA -0.176 4.175 4.350 0.001 0.000 0.191 440 E C 1.949 178.555 176.600 0.010 0.000 0.985 440 E CA 1.483 57.886 56.400 0.005 0.000 0.801 440 E CB -0.095 29.609 29.700 0.007 0.000 0.750 440 E HN 0.251 nan 8.360 nan 0.000 0.452 441 S N 0.221 115.927 115.700 0.010 0.000 2.374 441 S HA -0.292 4.178 4.470 0.001 0.000 0.227 441 S C 2.115 176.743 174.600 0.046 0.000 1.037 441 S CA 1.358 59.567 58.200 0.014 0.000 1.024 441 S CB -0.458 62.791 63.200 0.082 0.000 0.861 441 S HN 0.249 nan 8.310 nan 0.000 0.456 442 Q N 1.459 121.308 119.800 0.082 0.000 2.079 442 Q HA -0.013 4.328 4.340 0.001 0.000 0.200 442 Q C 2.438 178.461 176.000 0.037 0.000 0.974 442 Q CA 1.458 57.306 55.803 0.076 0.000 0.840 442 Q CB -0.448 28.344 28.738 0.090 0.000 0.898 442 Q HN 0.721 nan 8.270 nan 0.000 0.430 443 R N -0.215 120.301 120.500 0.027 0.000 2.096 443 R HA -0.138 4.202 4.340 0.001 0.000 0.240 443 R C 2.520 178.830 176.300 0.016 0.000 1.139 443 R CA 1.484 57.595 56.100 0.018 0.000 0.952 443 R CB -0.239 30.069 30.300 0.013 0.000 0.854 443 R HN 0.226 nan 8.270 nan 0.000 0.436 444 L N 0.290 121.522 121.223 0.015 0.000 2.056 444 L HA -0.176 4.164 4.340 0.001 0.000 0.207 444 L C 2.340 179.215 176.870 0.008 0.000 1.078 444 L CA 0.662 55.510 54.840 0.013 0.000 0.749 444 L CB -0.392 41.676 42.059 0.016 0.000 0.901 444 L HN 0.214 nan 8.230 nan 0.000 0.433 445 I N 0.445 121.018 120.570 0.004 0.000 2.208 445 I HA -0.226 3.945 4.170 0.001 0.000 0.245 445 I C 2.678 178.803 176.117 0.013 0.000 1.097 445 I CA 1.832 63.138 61.300 0.010 0.000 1.363 445 I CB -2.082 35.927 38.000 0.016 0.000 1.051 445 I HN 0.280 nan 8.210 nan 0.000 0.413 446 G N 0.125 108.933 108.800 0.014 0.000 2.446 446 G HA2 -0.273 3.687 3.960 0.001 0.000 0.217 446 G HA3 -0.273 3.687 3.960 0.001 0.000 0.217 446 G C 1.586 176.490 174.900 0.007 0.000 1.168 446 G CA 0.403 45.510 45.100 0.011 0.000 0.771 446 G HN 0.448 nan 8.290 nan 0.000 0.551 447 Q N -0.442 119.362 119.800 0.007 0.000 2.291 447 Q HA -0.010 4.331 4.340 0.001 0.000 0.205 447 Q C 1.685 177.686 176.000 0.001 0.000 0.970 447 Q CA 0.667 56.473 55.803 0.005 0.000 0.876 447 Q CB 0.100 28.843 28.738 0.008 0.000 0.935 447 Q HN 0.554 nan 8.270 nan 0.000 0.455 448 Q N -1.114 118.687 119.800 0.002 0.000 2.225 448 Q HA 0.187 4.527 4.340 0.001 0.000 0.259 448 Q C 0.245 176.238 176.000 -0.011 0.000 0.872 448 Q CA 0.188 55.987 55.803 -0.005 0.000 1.042 448 Q CB 1.013 29.750 28.738 -0.002 0.000 1.142 448 Q HN 0.466 nan 8.270 nan 0.000 0.463 449 G N 0.643 109.439 108.800 -0.007 0.000 2.157 449 G HA2 -0.319 3.641 3.960 0.001 0.000 0.248 449 G HA3 -0.319 3.641 3.960 0.001 0.000 0.248 449 G C 0.468 175.367 174.900 -0.002 0.000 0.979 449 G CA -0.045 45.049 45.100 -0.010 0.000 0.650 449 G HN 0.495 nan 8.290 nan 0.000 0.529 450 L N -1.534 119.694 121.223 0.008 0.000 3.742 450 L HA -0.210 4.130 4.340 0.001 0.000 0.431 450 L C 0.982 177.869 176.870 0.027 0.000 1.220 450 L CA 0.463 55.314 54.840 0.018 0.000 0.863 450 L CB -1.721 40.344 42.059 0.010 0.000 1.751 450 L HN 0.275 nan 8.230 nan 0.000 0.922 451 V N -0.299 119.635 119.914 0.032 0.000 2.655 451 V HA 0.008 4.129 4.120 0.001 0.000 0.300 451 V C 1.194 177.363 176.094 0.125 0.000 1.044 451 V CA -0.163 62.166 62.300 0.049 0.000 1.095 451 V CB 0.982 32.797 31.823 -0.013 0.000 0.952 451 V HN 0.199 nan 8.190 nan 0.000 0.485 452 D N 3.493 123.973 120.400 0.134 0.000 2.533 452 D HA 0.133 4.773 4.640 0.001 0.000 0.236 452 D C 1.204 177.648 176.300 0.240 0.000 1.137 452 D CA 1.694 55.799 54.000 0.176 0.000 0.867 452 D CB 1.018 41.915 40.800 0.160 0.000 1.170 452 D HN 1.022 nan 8.370 nan 0.000 0.474 453 G N 2.756 111.679 108.800 0.205 0.000 2.162 453 G HA2 -0.293 3.667 3.960 0.001 0.000 0.260 453 G HA3 -0.293 3.667 3.960 0.001 0.000 0.260 453 G C 0.366 175.429 174.900 0.271 0.000 0.976 453 G CA 0.340 45.534 45.100 0.156 0.000 0.655 453 G HN 0.518 nan 8.290 nan 0.000 0.533 454 L N 1.371 122.775 121.223 0.303 0.000 2.367 454 L HA 0.736 5.076 4.340 0.001 0.000 0.275 454 L C 0.179 177.218 176.870 0.281 0.000 1.129 454 L CA -0.434 54.577 54.840 0.284 0.000 0.839 454 L CB 0.181 42.342 42.059 0.170 0.000 1.133 454 L HN 0.577 nan 8.230 nan 0.000 0.453 455 F N 4.632 124.624 119.950 0.071 0.000 2.711 455 F HA 0.826 5.354 4.527 0.000 0.000 0.313 455 F C -1.781 174.062 175.800 0.072 0.000 1.141 455 F CA -1.411 56.612 58.000 0.038 0.000 0.941 455 F CB 1.028 40.021 39.000 -0.013 0.000 1.349 455 F HN 0.503 nan 8.300 nan 0.000 0.464 456 L N 0.106 121.404 121.223 0.126 0.000 2.671 456 L HA 0.938 5.279 4.340 0.001 0.000 0.259 456 L C -1.997 175.060 176.870 0.312 0.000 1.021 456 L CA -1.110 53.786 54.840 0.094 0.000 0.871 456 L CB 1.802 43.710 42.059 -0.251 0.000 1.472 456 L HN 0.625 nan 8.230 nan 0.000 0.410 457 V N 1.094 121.280 119.914 0.453 0.000 2.604 457 V HA 0.891 5.011 4.120 0.001 0.000 0.305 457 V C -0.221 176.090 176.094 0.360 0.000 1.043 457 V CA -0.383 62.218 62.300 0.501 0.000 0.888 457 V CB 1.665 33.925 31.823 0.727 0.000 0.995 457 V HN 1.054 nan 8.190 nan 0.000 0.429 458 R N 2.079 122.764 120.500 0.308 0.000 2.810 458 R HA 0.687 5.027 4.340 0.001 0.000 0.266 458 R C -1.110 175.356 176.300 0.276 0.000 1.061 458 R CA -1.065 55.100 56.100 0.108 0.000 0.943 458 R CB 1.892 32.204 30.300 0.021 0.000 1.237 458 R HN 0.520 nan 8.270 nan 0.000 0.459 459 E N 0.929 121.179 120.200 0.082 0.000 2.313 459 E HA 0.128 4.478 4.350 0.001 0.000 0.276 459 E C -0.695 175.856 176.600 -0.082 0.000 1.031 459 E CA -0.387 55.952 56.400 -0.103 0.000 0.857 459 E CB 1.623 31.240 29.700 -0.138 0.000 1.040 459 E HN 0.407 nan 8.360 nan 0.000 0.408 460 S N 1.799 117.420 115.700 -0.132 0.000 2.549 460 S HA -0.026 4.444 4.470 0.001 0.000 0.279 460 S C 0.975 175.527 174.600 -0.079 0.000 1.321 460 S CA -0.235 57.925 58.200 -0.067 0.000 1.054 460 S CB 0.648 63.823 63.200 -0.042 0.000 0.899 460 S HN 0.545 nan 8.310 nan 0.000 0.497 461 Q N 4.356 124.120 119.800 -0.060 0.000 2.165 461 Q HA 0.091 4.431 4.340 0.001 0.000 0.197 461 Q C 1.850 177.822 176.000 -0.047 0.000 0.952 461 Q CA 0.326 56.096 55.803 -0.055 0.000 0.848 461 Q CB -0.184 28.521 28.738 -0.054 0.000 0.931 461 Q HN 0.672 nan 8.270 nan 0.000 0.470 462 R N 0.876 121.349 120.500 -0.044 0.000 2.148 462 R HA 0.080 4.420 4.340 0.001 0.000 0.223 462 R C 0.102 176.387 176.300 -0.025 0.000 1.088 462 R CA 0.881 56.961 56.100 -0.033 0.000 0.985 462 R CB 0.173 30.453 30.300 -0.033 0.000 0.880 462 R HN 0.266 nan 8.270 nan 0.000 0.451 463 N N -0.193 118.490 118.700 -0.028 0.000 2.725 463 N HA 0.134 4.875 4.740 0.001 0.000 0.248 463 N C -2.503 172.978 175.510 -0.048 0.000 1.402 463 N CA -1.044 51.993 53.050 -0.021 0.000 0.766 463 N CB 1.775 40.264 38.487 0.003 0.000 1.223 463 N HN -0.122 nan 8.380 nan 0.000 0.515 464 P HA -0.075 nan 4.420 nan 0.000 0.225 464 P C 1.261 178.491 177.300 -0.117 0.000 1.148 464 P CA 1.084 64.131 63.100 -0.090 0.000 0.779 464 P CB 0.499 32.166 31.700 -0.054 0.000 0.780 465 Q N -0.829 118.931 119.800 -0.066 0.000 2.435 465 Q HA 0.120 4.460 4.340 0.001 0.000 0.207 465 Q C 1.270 177.248 176.000 -0.037 0.000 0.956 465 Q CA 0.645 56.430 55.803 -0.030 0.000 0.917 465 Q CB -0.338 28.411 28.738 0.017 0.000 0.997 465 Q HN 0.214 nan 8.270 nan 0.000 0.497 466 G N -0.790 107.950 108.800 -0.100 0.000 2.705 466 G HA2 0.599 4.559 3.960 0.001 0.000 0.299 466 G HA3 0.599 4.559 3.960 0.001 0.000 0.299 466 G C -1.012 173.679 174.900 -0.349 0.000 1.315 466 G CA -0.464 44.631 45.100 -0.008 0.000 1.045 466 G HN 0.032 nan 8.290 nan 0.000 0.517 467 F N -1.990 118.069 119.950 0.182 0.000 2.620 467 F HA 0.632 5.159 4.527 0.000 0.000 0.320 467 F C -0.224 175.681 175.800 0.174 0.000 1.069 467 F CA -0.797 57.317 58.000 0.190 0.000 0.953 467 F CB 2.719 41.841 39.000 0.204 0.000 1.322 467 F HN 0.255 nan 8.300 nan 0.000 0.479 468 V N 2.532 122.660 119.914 0.358 0.000 2.638 468 V HA 0.387 4.507 4.120 0.001 0.000 0.306 468 V C -1.195 175.079 176.094 0.300 0.000 1.052 468 V CA -0.752 61.716 62.300 0.280 0.000 0.885 468 V CB 2.048 33.998 31.823 0.210 0.000 0.999 468 V HN 0.547 nan 8.190 nan 0.000 0.424 469 L N 4.506 125.897 121.223 0.280 0.000 2.260 469 L HA 0.595 4.935 4.340 0.001 0.000 0.289 469 L C 0.191 177.233 176.870 0.288 0.000 1.057 469 L CA 0.825 55.813 54.840 0.246 0.000 0.811 469 L CB 1.193 43.321 42.059 0.114 0.000 1.184 469 L HN 0.666 nan 8.230 nan 0.000 0.429 470 S N 6.304 122.139 115.700 0.225 0.000 2.433 470 S HA 0.737 5.207 4.470 0.001 0.000 0.310 470 S C -0.900 173.765 174.600 0.107 0.000 1.097 470 S CA -0.447 57.807 58.200 0.091 0.000 1.103 470 S CB 1.156 64.426 63.200 0.117 0.000 0.992 470 S HN 0.598 nan 8.310 nan 0.000 0.469 471 L N 3.414 124.681 121.223 0.074 0.000 2.436 471 L HA 0.661 5.001 4.340 0.001 0.000 0.268 471 L C -0.986 175.945 176.870 0.102 0.000 0.974 471 L CA -0.430 54.494 54.840 0.141 0.000 0.826 471 L CB 1.501 43.646 42.059 0.144 0.000 1.291 471 L HN 0.735 nan 8.230 nan 0.000 0.406 472 C N 4.017 123.389 119.300 0.120 0.000 2.350 472 C HA 0.827 5.288 4.460 0.001 0.000 0.348 472 C C -0.742 174.357 174.990 0.183 0.000 1.260 472 C CA 0.073 59.159 59.018 0.112 0.000 1.966 472 C CB -0.347 27.447 27.740 0.091 0.000 2.380 472 C HN 0.987 nan 8.230 nan 0.000 0.535 473 H N 3.726 122.823 119.070 0.045 0.000 3.137 473 H HA 0.359 4.915 4.556 0.001 0.000 0.336 473 H C 0.039 175.386 175.328 0.032 0.000 1.055 473 H CA -0.682 55.390 56.048 0.041 0.000 1.349 473 H CB 0.512 30.298 29.762 0.040 0.000 1.939 473 H HN 0.810 nan 8.280 nan 0.000 0.487 474 L N 5.232 126.148 121.223 -0.511 0.000 3.717 474 L HA -0.362 3.979 4.340 0.001 0.000 0.414 474 L C 0.211 176.999 176.870 -0.136 0.000 1.228 474 L CA 1.216 55.849 54.840 -0.345 0.000 0.918 474 L CB -1.498 40.336 42.059 -0.375 0.000 1.865 474 L HN 0.948 nan 8.230 nan 0.000 0.922 475 Q N -2.837 116.919 119.800 -0.074 0.000 2.481 475 Q HA -0.202 4.138 4.340 0.001 0.000 0.258 475 Q C 0.041 176.033 176.000 -0.014 0.000 0.961 475 Q CA 1.379 57.165 55.803 -0.028 0.000 1.121 475 Q CB -0.657 28.064 28.738 -0.028 0.000 1.503 475 Q HN 0.505 nan 8.270 nan 0.000 0.544 476 K N 0.742 121.137 120.400 -0.008 0.000 2.270 476 K HA 0.535 4.855 4.320 0.001 0.000 0.255 476 K C -0.243 176.364 176.600 0.013 0.000 0.936 476 K CA -0.678 55.612 56.287 0.006 0.000 0.809 476 K CB 2.182 34.688 32.500 0.009 0.000 1.131 476 K HN -0.089 nan 8.250 nan 0.000 0.427 477 V N 3.705 123.612 119.914 -0.011 0.000 2.432 477 V HA 0.303 4.424 4.120 0.001 0.000 0.275 477 V C 0.322 176.310 176.094 -0.177 0.000 1.043 477 V CA -0.516 61.737 62.300 -0.079 0.000 0.925 477 V CB 0.931 32.711 31.823 -0.072 0.000 0.985 477 V HN 0.486 nan 8.190 nan 0.000 0.466 478 K N 3.221 123.468 120.400 -0.255 0.000 2.328 478 K HA 0.588 4.908 4.320 0.001 0.000 0.246 478 K C -1.061 175.132 176.600 -0.680 0.000 0.955 478 K CA -0.829 55.236 56.287 -0.370 0.000 0.817 478 K CB 2.241 34.592 32.500 -0.248 0.000 1.208 478 K HN 0.707 nan 8.250 nan 0.000 0.432 479 H N 1.519 120.351 119.070 -0.396 0.000 2.529 479 H HA 0.305 4.862 4.556 0.001 0.000 0.348 479 H C -1.002 174.045 175.328 -0.469 0.000 1.079 479 H CA -0.476 55.413 56.048 -0.266 0.000 1.198 479 H CB 1.143 30.839 29.762 -0.109 0.000 1.521 479 H HN 0.441 nan 8.280 nan 0.000 0.514 480 Y N 1.939 122.311 120.300 0.119 0.000 2.326 480 Y HA 0.163 4.713 4.550 0.000 0.000 0.331 480 Y C -0.088 175.879 175.900 0.111 0.000 0.962 480 Y CA -0.865 57.283 58.100 0.081 0.000 1.167 480 Y CB 1.510 39.979 38.460 0.015 0.000 1.148 480 Y HN 0.408 nan 8.280 nan 0.000 0.463 481 L N 5.451 126.804 121.223 0.218 0.000 2.315 481 L HA 0.461 4.801 4.340 0.001 0.000 0.283 481 L C -0.766 176.241 176.870 0.228 0.000 1.089 481 L CA -0.034 54.923 54.840 0.195 0.000 0.833 481 L CB -0.059 42.080 42.059 0.133 0.000 1.170 481 L HN 0.505 nan 8.230 nan 0.000 0.442 482 I N 6.541 127.276 120.570 0.276 0.000 2.312 482 I HA 0.311 4.481 4.170 0.001 0.000 0.290 482 I C -0.482 175.862 176.117 0.379 0.000 1.008 482 I CA -0.202 61.297 61.300 0.331 0.000 1.226 482 I CB 0.791 39.002 38.000 0.352 0.000 1.371 482 I HN 0.434 nan 8.210 nan 0.000 0.468 483 L N 8.318 129.731 121.223 0.317 0.000 2.346 483 L HA 0.582 4.923 4.340 0.001 0.000 0.274 483 L C -2.309 174.665 176.870 0.172 0.000 1.007 483 L CA -1.932 53.053 54.840 0.242 0.000 0.818 483 L CB 2.145 44.283 42.059 0.131 0.000 1.284 483 L HN 0.327 nan 8.230 nan 0.000 0.424 484 P HA 0.270 nan 4.420 nan 0.000 0.279 484 P C -1.017 176.052 177.300 -0.385 0.000 1.239 484 P CA -0.258 62.620 63.100 -0.370 0.000 0.789 484 P CB 1.823 33.320 31.700 -0.338 0.000 0.933 485 S N 0.796 116.072 115.700 -0.705 0.000 2.697 485 S HA 0.567 5.037 4.470 0.001 0.000 0.289 485 S C -0.923 173.188 174.600 -0.815 0.000 1.149 485 S CA -0.497 57.285 58.200 -0.696 0.000 0.850 485 S CB 1.789 64.538 63.200 -0.751 0.000 1.151 485 S HN 0.460 nan 8.310 nan 0.000 0.491 486 E N 0.518 120.451 120.200 -0.444 0.000 2.288 486 E HA 0.631 4.981 4.350 0.001 0.000 0.268 486 E C -1.507 175.103 176.600 0.017 0.000 0.885 486 E CA -0.462 55.804 56.400 -0.222 0.000 0.767 486 E CB 1.819 31.438 29.700 -0.135 0.000 1.220 486 E HN 0.543 nan 8.360 nan 0.000 0.427 487 E N 2.071 122.347 120.200 0.127 0.000 2.335 487 E HA 0.196 4.547 4.350 0.001 0.000 0.280 487 E C -1.116 175.526 176.600 0.070 0.000 0.918 487 E CA -0.330 56.154 56.400 0.140 0.000 0.765 487 E CB 1.002 30.838 29.700 0.226 0.000 1.218 487 E HN 0.606 nan 8.360 nan 0.000 0.425 488 E N 2.368 122.589 120.200 0.035 0.000 2.294 488 E HA -0.336 4.014 4.350 0.001 0.000 0.228 488 E C 0.596 177.205 176.600 0.016 0.000 1.253 488 E CA 0.908 57.318 56.400 0.017 0.000 0.716 488 E CB -1.382 28.323 29.700 0.008 0.000 1.184 488 E HN 0.996 nan 8.360 nan 0.000 0.374 489 G N -0.298 108.511 108.800 0.014 0.000 2.199 489 G HA2 -0.369 3.592 3.960 0.001 0.000 0.254 489 G HA3 -0.369 3.592 3.960 0.001 0.000 0.254 489 G C 0.189 175.094 174.900 0.009 0.000 0.982 489 G CA 0.471 45.576 45.100 0.007 0.000 0.632 489 G HN 0.296 nan 8.290 nan 0.000 0.529 490 R N -0.376 120.139 120.500 0.026 0.000 2.445 490 R HA 0.644 4.985 4.340 0.001 0.000 0.308 490 R C -0.064 176.252 176.300 0.026 0.000 0.961 490 R CA -0.879 55.242 56.100 0.035 0.000 0.862 490 R CB 1.938 32.270 30.300 0.054 0.000 1.144 490 R HN 0.195 nan 8.270 nan 0.000 0.447 491 L N 4.210 125.414 121.223 -0.031 0.000 2.416 491 L HA 0.208 4.548 4.340 0.001 0.000 0.272 491 L C -0.873 175.928 176.870 -0.115 0.000 1.161 491 L CA 0.071 54.811 54.840 -0.167 0.000 0.845 491 L CB 0.167 42.116 42.059 -0.184 0.000 1.119 491 L HN 0.584 nan 8.230 nan 0.000 0.464 492 Y N 2.075 122.207 120.300 -0.280 0.000 2.615 492 Y HA 0.697 5.248 4.550 0.001 0.000 0.341 492 Y C -1.626 174.042 175.900 -0.387 0.000 1.089 492 Y CA -1.795 56.177 58.100 -0.214 0.000 1.049 492 Y CB 0.899 39.303 38.460 -0.093 0.000 1.296 492 Y HN 0.262 nan 8.280 nan 0.000 0.470 493 F N 1.089 121.207 119.950 0.280 0.000 2.508 493 F HA 0.725 5.252 4.527 0.000 0.000 0.325 493 F C 0.122 176.133 175.800 0.352 0.000 1.090 493 F CA -0.713 57.428 58.000 0.234 0.000 0.945 493 F CB 2.358 41.467 39.000 0.182 0.000 1.156 493 F HN 0.632 nan 8.300 nan 0.000 0.463 494 S N 3.353 119.322 115.700 0.449 0.000 2.543 494 S HA 0.517 4.987 4.470 0.001 0.000 0.271 494 S C -0.124 174.652 174.600 0.294 0.000 1.148 494 S CA -0.770 57.648 58.200 0.363 0.000 0.914 494 S CB 1.159 64.534 63.200 0.291 0.000 1.096 494 S HN 0.744 nan 8.310 nan 0.000 0.471 495 M N 1.875 121.634 119.600 0.266 0.000 2.405 495 M HA 0.466 4.946 4.480 0.001 0.000 0.292 495 M C -0.452 175.955 176.300 0.179 0.000 1.111 495 M CA -0.209 55.219 55.300 0.214 0.000 0.979 495 M CB -0.150 32.563 32.600 0.189 0.000 1.426 495 M HN 0.407 nan 8.290 nan 0.000 0.509 496 D N -0.955 119.541 120.400 0.161 0.000 2.895 496 D HA 0.166 4.807 4.640 0.001 0.000 0.350 496 D C -0.782 175.578 176.300 0.099 0.000 1.389 496 D CA -0.368 53.706 54.000 0.123 0.000 0.812 496 D CB -0.241 40.623 40.800 0.107 0.000 1.164 496 D HN 0.148 nan 8.370 nan 0.000 0.455 497 D N 0.111 120.577 120.400 0.111 0.000 2.870 497 D HA -0.111 4.529 4.640 0.001 0.000 0.228 497 D C 1.389 177.745 176.300 0.094 0.000 1.147 497 D CA 1.619 55.676 54.000 0.095 0.000 0.757 497 D CB -1.465 39.377 40.800 0.071 0.000 1.091 497 D HN 0.736 nan 8.370 nan 0.000 0.429 498 G N -0.863 108.009 108.800 0.120 0.000 2.175 498 G HA2 -0.413 3.548 3.960 0.001 0.000 0.244 498 G HA3 -0.413 3.548 3.960 0.001 0.000 0.244 498 G C 0.973 175.857 174.900 -0.027 0.000 0.982 498 G CA 0.613 45.776 45.100 0.104 0.000 0.641 498 G HN 0.457 nan 8.290 nan 0.000 0.527 499 Q N -0.152 119.639 119.800 -0.015 0.000 2.124 499 Q HA -0.005 4.335 4.340 0.001 0.000 0.202 499 Q C 0.474 176.397 176.000 -0.128 0.000 0.977 499 Q CA 1.662 57.432 55.803 -0.055 0.000 0.850 499 Q CB 0.032 28.763 28.738 -0.013 0.000 0.901 499 Q HN 0.568 nan 8.270 nan 0.000 0.429 500 T N 0.970 115.443 114.554 -0.136 0.000 2.841 500 T HA 0.545 4.896 4.350 0.001 0.000 0.285 500 T C -0.710 173.728 174.700 -0.437 0.000 0.991 500 T CA -0.631 61.284 62.100 -0.308 0.000 0.966 500 T CB 1.764 70.528 68.868 -0.174 0.000 0.962 500 T HN 0.021 nan 8.240 nan 0.000 0.438 501 R N 1.715 121.735 120.500 -0.800 0.000 2.621 501 R HA 0.723 5.063 4.340 0.001 0.000 0.292 501 R C -1.487 174.217 176.300 -0.993 0.000 0.969 501 R CA -0.750 54.959 56.100 -0.652 0.000 0.887 501 R CB 1.708 31.591 30.300 -0.696 0.000 1.180 501 R HN 0.459 nan 8.270 nan 0.000 0.450 502 F N -0.549 119.460 119.950 0.099 0.000 2.565 502 F HA 0.229 4.756 4.527 0.000 0.000 0.313 502 F C 1.586 177.534 175.800 0.247 0.000 1.091 502 F CA -0.923 57.142 58.000 0.107 0.000 0.915 502 F CB 2.143 41.194 39.000 0.084 0.000 1.208 502 F HN 0.615 nan 8.300 nan 0.000 0.453 503 T N -2.492 112.268 114.554 0.344 0.000 2.867 503 T HA 0.030 4.380 4.350 0.001 0.000 0.268 503 T C 0.041 174.988 174.700 0.413 0.000 1.057 503 T CA 1.682 63.966 62.100 0.307 0.000 1.136 503 T CB -0.455 68.521 68.868 0.179 0.000 0.874 503 T HN 0.669 nan 8.240 nan 0.000 0.466 504 D N -1.115 119.460 120.400 0.292 0.000 2.692 504 D HA 0.308 4.948 4.640 0.001 0.000 0.303 504 D C 0.905 177.108 176.300 -0.161 0.000 1.278 504 D CA -0.917 53.095 54.000 0.020 0.000 0.852 504 D CB 0.366 41.161 40.800 -0.009 0.000 1.375 504 D HN 0.053 nan 8.370 nan 0.000 0.453 505 L N -0.426 120.555 121.223 -0.403 0.000 2.042 505 L HA -0.099 4.242 4.340 0.001 0.000 0.210 505 L C 2.320 179.098 176.870 -0.153 0.000 1.076 505 L CA 0.978 55.633 54.840 -0.308 0.000 0.749 505 L CB -0.534 41.354 42.059 -0.284 0.000 0.893 505 L HN 0.393 nan 8.230 nan 0.000 0.432 506 L N -0.096 121.149 121.223 0.036 0.000 2.042 506 L HA -0.263 4.077 4.340 0.001 0.000 0.210 506 L C 2.609 179.449 176.870 -0.050 0.000 1.076 506 L CA 1.784 56.693 54.840 0.114 0.000 0.749 506 L CB -0.664 41.505 42.059 0.184 0.000 0.893 506 L HN 0.277 nan 8.230 nan 0.000 0.432 507 Q N -0.759 119.025 119.800 -0.028 0.000 2.124 507 Q HA -0.249 4.092 4.340 0.001 0.000 0.202 507 Q C 2.372 178.214 176.000 -0.263 0.000 0.977 507 Q CA 2.157 57.960 55.803 0.001 0.000 0.850 507 Q CB -0.251 28.590 28.738 0.171 0.000 0.901 507 Q HN 0.669 nan 8.270 nan 0.000 0.429 508 L N -0.249 120.648 121.223 -0.543 0.000 2.017 508 L HA -0.172 4.169 4.340 0.001 0.000 0.208 508 L C 2.205 178.715 176.870 -0.601 0.000 1.073 508 L CA 1.079 55.240 54.840 -1.131 0.000 0.745 508 L CB -0.225 41.380 42.059 -0.756 0.000 0.894 508 L HN 0.076 nan 8.230 nan 0.000 0.432 509 V N 0.067 119.660 119.914 -0.535 0.000 2.358 509 V HA -0.259 3.862 4.120 0.001 0.000 0.246 509 V C 2.436 178.294 176.094 -0.394 0.000 1.047 509 V CA 2.067 64.004 62.300 -0.605 0.000 1.035 509 V CB -0.551 30.632 31.823 -1.068 0.000 0.658 509 V HN 0.492 nan 8.190 nan 0.000 0.452 510 E N -0.694 119.356 120.200 -0.250 0.000 2.110 510 E HA -0.247 4.104 4.350 0.001 0.000 0.193 510 E C 2.051 178.581 176.600 -0.117 0.000 0.988 510 E CA 1.524 57.846 56.400 -0.130 0.000 0.804 510 E CB -0.221 29.459 29.700 -0.032 0.000 0.745 510 E HN 0.624 nan 8.360 nan 0.000 0.458 511 F N 1.286 121.071 119.950 -0.275 0.000 2.102 511 F HA -0.200 4.327 4.527 0.001 0.000 0.298 511 F C 2.194 177.764 175.800 -0.384 0.000 1.105 511 F CA 1.603 59.432 58.000 -0.284 0.000 1.239 511 F CB -0.023 38.819 39.000 -0.264 0.000 0.991 511 F HN 0.072 nan 8.300 nan 0.000 0.474 512 H N -0.376 118.535 119.070 -0.264 0.000 2.548 512 H HA 0.020 4.576 4.556 0.001 0.000 0.268 512 H C 1.956 177.030 175.328 -0.423 0.000 0.975 512 H CA 0.851 56.680 56.048 -0.365 0.000 1.195 512 H CB -0.128 29.424 29.762 -0.350 0.000 1.397 512 H HN 0.505 nan 8.280 nan 0.000 0.572 513 Q N 0.165 119.776 119.800 -0.316 0.000 2.226 513 Q HA -0.054 4.286 4.340 0.001 0.000 0.204 513 Q C 1.712 177.559 176.000 -0.254 0.000 0.975 513 Q CA 0.862 56.498 55.803 -0.278 0.000 0.866 513 Q CB 0.350 28.963 28.738 -0.208 0.000 0.915 513 Q HN 0.432 nan 8.270 nan 0.000 0.440 514 L N -0.798 120.228 121.223 -0.328 0.000 2.642 514 L HA 0.178 4.518 4.340 0.001 0.000 0.233 514 L C -0.036 176.598 176.870 -0.394 0.000 1.077 514 L CA -0.050 54.598 54.840 -0.319 0.000 0.879 514 L CB 0.523 42.404 42.059 -0.298 0.000 1.151 514 L HN 0.061 nan 8.230 nan 0.000 0.495 515 N N -0.150 118.200 118.700 -0.584 0.000 2.295 515 N HA 0.299 5.039 4.740 0.001 0.000 0.293 515 N C 0.096 175.384 175.510 -0.371 0.000 1.040 515 N CA -0.532 52.156 53.050 -0.603 0.000 0.840 515 N CB 2.369 40.158 38.487 -1.163 0.000 1.468 515 N HN -0.055 nan 8.380 nan 0.000 0.478 516 R N 1.350 121.748 120.500 -0.170 0.000 2.062 516 R HA 0.008 4.348 4.340 0.001 0.000 0.229 516 R C 1.410 177.791 176.300 0.134 0.000 1.128 516 R CA 1.186 57.266 56.100 -0.032 0.000 0.960 516 R CB -0.395 29.859 30.300 -0.076 0.000 0.855 516 R HN 0.868 nan 8.270 nan 0.000 0.432 517 G N 1.863 110.739 108.800 0.127 0.000 2.672 517 G HA2 -0.385 3.575 3.960 0.001 0.000 0.324 517 G HA3 -0.385 3.575 3.960 0.001 0.000 0.324 517 G C 0.932 175.898 174.900 0.110 0.000 1.286 517 G CA 0.804 46.028 45.100 0.207 0.000 1.004 517 G HN 0.476 nan 8.290 nan 0.000 0.548 518 I N -0.153 120.480 120.570 0.105 0.000 2.830 518 I HA 0.298 4.468 4.170 0.001 0.000 0.263 518 I C 1.290 177.363 176.117 -0.074 0.000 1.230 518 I CA 0.332 61.647 61.300 0.025 0.000 1.480 518 I CB -0.434 37.595 38.000 0.048 0.000 1.095 518 I HN 0.276 nan 8.210 nan 0.000 0.455 519 L N 2.579 123.690 121.223 -0.186 0.000 2.439 519 L HA 0.206 4.546 4.340 0.001 0.000 0.269 519 L C -0.989 175.761 176.870 -0.200 0.000 1.179 519 L CA -1.401 53.241 54.840 -0.329 0.000 0.828 519 L CB -0.155 41.644 42.059 -0.434 0.000 1.106 519 L HN -0.036 nan 8.230 nan 0.000 0.467 520 P HA -0.027 nan 4.420 nan 0.000 0.233 520 P C -0.006 176.987 177.300 -0.512 0.000 1.167 520 P CA 0.424 63.347 63.100 -0.296 0.000 0.770 520 P CB 0.111 31.670 31.700 -0.234 0.000 0.837 521 C N -3.174 115.902 119.300 -0.374 0.000 3.295 521 C HA 0.587 5.048 4.460 0.001 0.000 0.341 521 C C -0.476 174.391 174.990 -0.204 0.000 1.418 521 C CA -1.540 57.306 59.018 -0.287 0.000 1.240 521 C CB 0.435 28.021 27.740 -0.256 0.000 1.562 521 C HN -0.027 nan 8.230 nan 0.000 0.457 522 L N 1.336 122.457 121.223 -0.170 0.000 2.453 522 L HA 0.400 4.741 4.340 0.001 0.000 0.261 522 L C 0.068 176.799 176.870 -0.230 0.000 1.179 522 L CA -0.453 54.269 54.840 -0.197 0.000 0.813 522 L CB 0.382 42.332 42.059 -0.181 0.000 1.110 522 L HN 0.584 nan 8.230 nan 0.000 0.466 523 L N 2.991 124.001 121.223 -0.355 0.000 2.433 523 L HA 0.191 4.531 4.340 0.001 0.000 0.284 523 L C 1.036 177.756 176.870 -0.250 0.000 1.120 523 L CA 0.140 54.660 54.840 -0.535 0.000 0.879 523 L CB 0.100 41.411 42.059 -1.246 0.000 1.232 523 L HN 0.672 nan 8.230 nan 0.000 0.454 524 R N 1.035 121.470 120.500 -0.107 0.000 2.191 524 R HA 0.202 4.542 4.340 0.001 0.000 0.196 524 R C -0.068 176.029 176.300 -0.337 0.000 0.991 524 R CA 0.124 56.039 56.100 -0.308 0.000 1.075 524 R CB 0.561 30.504 30.300 -0.595 0.000 1.040 524 R HN 0.564 nan 8.270 nan 0.000 0.526 525 H N -0.463 118.785 119.070 0.298 0.000 2.744 525 H HA 0.238 4.794 4.556 0.001 0.000 0.339 525 H C -0.540 174.780 175.328 -0.013 0.000 1.004 525 H CA -1.156 54.990 56.048 0.163 0.000 1.257 525 H CB 1.325 31.142 29.762 0.092 0.000 1.552 525 H HN 0.052 nan 8.280 nan 0.000 0.522 526 C N 2.249 121.534 119.300 -0.024 0.000 2.653 526 C HA 0.062 4.523 4.460 0.001 0.000 0.421 526 C C 1.417 176.323 174.990 -0.140 0.000 1.334 526 C CA -0.390 58.441 59.018 -0.311 0.000 1.885 526 C CB -0.550 27.140 27.740 -0.084 0.000 2.645 526 C HN 0.808 nan 8.230 nan 0.000 0.601 527 C N 5.130 124.316 119.300 -0.191 0.000 2.273 527 C HA 0.738 5.198 4.460 0.001 0.000 0.328 527 C C 0.212 175.264 174.990 0.104 0.000 1.275 527 C CA 0.180 59.173 59.018 -0.043 0.000 1.704 527 C CB -1.022 26.675 27.740 -0.071 0.000 2.326 527 C HN 1.008 nan 8.230 nan 0.000 0.517 528 T N 4.602 119.226 114.554 0.116 0.000 2.903 528 T HA 0.405 4.756 4.350 0.001 0.000 0.299 528 T C -0.083 174.649 174.700 0.052 0.000 1.093 528 T CA -0.580 61.592 62.100 0.120 0.000 1.002 528 T CB 1.642 70.525 68.868 0.025 0.000 1.127 528 T HN 0.609 nan 8.240 nan 0.000 0.488 529 R N 1.179 121.635 120.500 -0.073 0.000 2.791 529 R HA 0.561 4.901 4.340 0.001 0.000 0.357 529 R C -1.189 175.055 176.300 -0.093 0.000 1.173 529 R CA 0.012 56.064 56.100 -0.080 0.000 1.060 529 R CB -0.122 30.088 30.300 -0.150 0.000 1.406 529 R HN 0.430 nan 8.270 nan 0.000 0.580 530 V N 0.714 120.586 119.914 -0.070 0.000 2.623 530 V HA 0.566 4.687 4.120 0.001 0.000 0.304 530 V C -0.448 175.624 176.094 -0.037 0.000 1.054 530 V CA -1.214 61.048 62.300 -0.064 0.000 0.882 530 V CB 1.775 33.550 31.823 -0.079 0.000 1.002 530 V HN 0.304 nan 8.190 nan 0.000 0.424 531 A N 6.173 128.975 122.820 -0.030 0.000 2.354 531 A HA 0.761 5.081 4.320 0.001 0.000 0.281 531 A C -0.312 177.263 177.584 -0.016 0.000 1.174 531 A CA -0.120 51.906 52.037 -0.019 0.000 0.828 531 A CB 0.174 19.164 19.000 -0.016 0.000 1.099 531 A HN 0.800 nan 8.150 nan 0.000 0.516 532 L N 0.000 121.218 121.223 -0.009 0.000 2.949 532 L HA 0.000 4.340 4.340 0.001 0.000 0.249 532 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 532 L CB 0.000 42.060 42.059 0.002 0.000 0.961 532 L HN 0.000 nan 8.230 nan 0.000 0.502