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_B 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 0.012 0.000 1.107 420 S CB 0.000 63.206 63.200 0.010 0.000 0.593 421 L N 3.424 124.658 121.223 0.018 0.000 1.971 421 L HA -0.071 4.269 4.340 0.001 0.000 0.215 421 L C 2.380 179.270 176.870 0.034 0.000 1.072 421 L CA 3.001 57.855 54.840 0.022 0.000 0.758 421 L CB -1.128 40.943 42.059 0.020 0.000 0.889 421 L HN 0.501 nan 8.230 nan 0.000 0.433 422 S N -0.431 115.290 115.700 0.035 0.000 2.382 422 S HA -0.155 4.315 4.470 0.001 0.000 0.228 422 S C 2.130 176.768 174.600 0.064 0.000 1.027 422 S CA 1.084 59.314 58.200 0.051 0.000 0.991 422 S CB -1.113 62.112 63.200 0.041 0.000 0.823 422 S HN 0.585 nan 8.310 nan 0.000 0.469 423 A N 2.299 125.141 122.820 0.037 0.000 1.908 423 A HA 0.216 4.537 4.320 0.001 0.000 0.218 423 A C 2.601 180.236 177.584 0.085 0.000 1.181 423 A CA 2.021 54.081 52.037 0.038 0.000 0.627 423 A CB -1.596 17.411 19.000 0.012 0.000 0.818 423 A HN 0.954 nan 8.150 nan 0.000 0.445 424 A N 0.422 123.279 122.820 0.061 0.000 1.877 424 A HA -0.055 4.265 4.320 0.001 0.000 0.216 424 A C 1.932 179.553 177.584 0.062 0.000 1.186 424 A CA 1.582 53.650 52.037 0.053 0.000 0.620 424 A CB -0.695 18.324 19.000 0.031 0.000 0.822 424 A HN 1.085 nan 8.150 nan 0.000 0.443 425 I N -3.677 116.935 120.570 0.069 0.000 3.904 425 I HA 0.203 4.373 4.170 0.001 0.000 0.333 425 I C 0.689 176.854 176.117 0.079 0.000 1.361 425 I CA -0.452 60.877 61.300 0.049 0.000 1.116 425 I CB -0.403 37.615 38.000 0.031 0.000 1.028 425 I HN 0.362 nan 8.210 nan 0.000 0.398 426 H N 3.502 122.584 119.070 0.020 0.000 2.886 426 H HA 0.183 4.739 4.556 0.001 0.000 0.329 426 H C 0.249 175.593 175.328 0.028 0.000 1.044 426 H CA 0.372 56.438 56.048 0.031 0.000 1.456 426 H CB 0.521 30.300 29.762 0.028 0.000 1.464 426 H HN 0.436 nan 8.280 nan 0.000 0.573 427 R N 2.009 122.296 120.500 -0.355 0.000 3.804 427 R HA -0.166 4.174 4.340 0.001 0.000 0.459 427 R C 1.243 177.464 176.300 -0.132 0.000 1.009 427 R CA 1.039 56.959 56.100 -0.299 0.000 1.210 427 R CB -1.862 28.195 30.300 -0.405 0.000 1.860 427 R HN 0.685 nan 8.270 nan 0.000 0.526 428 T N 0.260 114.765 114.554 -0.082 0.000 3.054 428 T HA -0.034 4.317 4.350 0.001 0.000 0.259 428 T C 0.023 174.629 174.700 -0.157 0.000 1.092 428 T CA 0.880 62.925 62.100 -0.092 0.000 1.121 428 T CB 0.114 68.946 68.868 -0.059 0.000 0.912 428 T HN 0.297 nan 8.240 nan 0.000 0.489 429 Q N 0.727 120.438 119.800 -0.148 0.000 2.454 429 Q HA -0.155 4.185 4.340 0.001 0.000 0.341 429 Q C 0.624 176.216 176.000 -0.680 0.000 1.437 429 Q CA 0.302 55.828 55.803 -0.463 0.000 0.935 429 Q CB -2.461 25.932 28.738 -0.575 0.000 1.164 429 Q HN 0.534 nan 8.270 nan 0.000 0.373 430 L N -0.953 120.063 121.223 -0.346 0.000 2.610 430 L HA -0.044 4.296 4.340 0.001 0.000 0.232 430 L C 2.154 178.917 176.870 -0.178 0.000 1.149 430 L CA 0.519 55.211 54.840 -0.247 0.000 0.872 430 L CB -0.463 41.528 42.059 -0.112 0.000 0.992 430 L HN 0.580 nan 8.230 nan 0.000 0.447 431 W N -1.243 120.079 121.300 0.038 0.000 2.595 431 W HA -0.020 4.641 4.660 0.002 0.000 0.257 431 W C 0.696 177.378 176.519 0.272 0.000 1.267 431 W CA -0.525 56.834 57.345 0.023 0.000 1.300 431 W CB -0.734 28.652 29.460 -0.124 0.000 1.120 431 W HN -0.020 nan 8.180 nan 0.000 0.618 432 F N 2.617 122.408 119.950 -0.264 0.000 2.410 432 F HA 0.265 4.793 4.527 0.000 0.000 0.348 432 F C 1.188 177.009 175.800 0.035 0.000 1.106 432 F CA -0.426 57.527 58.000 -0.078 0.000 1.163 432 F CB 0.618 39.338 39.000 -0.466 0.000 1.129 432 F HN -0.093 nan 8.300 nan 0.000 0.516 433 H N 4.066 122.679 119.070 -0.762 0.000 3.058 433 H HA 0.242 4.799 4.556 0.001 0.000 0.266 433 H C 1.263 176.208 175.328 -0.639 0.000 1.135 433 H CA 0.164 55.902 56.048 -0.516 0.000 1.174 433 H CB 0.573 30.191 29.762 -0.239 0.000 1.581 433 H HN 0.921 nan 8.280 nan 0.000 0.553 434 G N 2.200 110.306 108.800 -1.157 0.000 2.575 434 G HA2 -0.347 3.614 3.960 0.001 0.000 0.267 434 G HA3 -0.347 3.614 3.960 0.001 0.000 0.267 434 G C -0.078 174.693 174.900 -0.216 0.000 1.264 434 G CA -0.212 44.556 45.100 -0.553 0.000 0.935 434 G HN 0.418 nan 8.290 nan 0.000 0.568 435 R N 0.706 121.158 120.500 -0.080 0.000 2.242 435 R HA 0.540 4.880 4.340 0.001 0.000 0.334 435 R C 0.536 176.812 176.300 -0.039 0.000 1.071 435 R CA 0.167 56.241 56.100 -0.043 0.000 0.922 435 R CB -0.452 29.833 30.300 -0.025 0.000 1.023 435 R HN 0.798 nan 8.270 nan 0.000 0.458 436 I N 0.446 120.998 120.570 -0.030 0.000 2.865 436 I HA 0.462 4.632 4.170 0.001 0.000 0.302 436 I C -0.211 175.895 176.117 -0.019 0.000 1.140 436 I CA -1.123 60.166 61.300 -0.017 0.000 1.021 436 I CB 2.289 40.288 38.000 -0.001 0.000 1.233 436 I HN 0.531 nan 8.210 nan 0.000 0.427 437 S N 3.296 118.984 115.700 -0.019 0.000 2.584 437 S HA 0.231 4.701 4.470 0.001 0.000 0.270 437 S C 1.081 175.662 174.600 -0.032 0.000 1.346 437 S CA -0.146 58.036 58.200 -0.030 0.000 1.018 437 S CB 1.370 64.553 63.200 -0.028 0.000 0.899 437 S HN 0.970 nan 8.310 nan 0.000 0.542 438 R N 1.042 121.499 120.500 -0.072 0.000 2.096 438 R HA -0.194 4.146 4.340 0.001 0.000 0.240 438 R C 1.815 178.095 176.300 -0.032 0.000 1.139 438 R CA 2.280 58.308 56.100 -0.120 0.000 0.952 438 R CB -0.587 29.555 30.300 -0.264 0.000 0.854 438 R HN 0.868 nan 8.270 nan 0.000 0.436 439 E N 0.157 120.339 120.200 -0.031 0.000 2.118 439 E HA -0.231 4.119 4.350 0.001 0.000 0.195 439 E C 1.804 178.411 176.600 0.012 0.000 0.992 439 E CA 1.596 57.995 56.400 -0.003 0.000 0.804 439 E CB -0.140 29.553 29.700 -0.011 0.000 0.741 439 E HN 0.405 nan 8.360 nan 0.000 0.458 440 E N 0.560 120.763 120.200 0.005 0.000 2.106 440 E HA -0.148 4.202 4.350 0.001 0.000 0.192 440 E C 1.882 178.489 176.600 0.012 0.000 0.984 440 E CA 1.454 57.860 56.400 0.009 0.000 0.806 440 E CB -0.189 29.515 29.700 0.006 0.000 0.750 440 E HN 0.258 nan 8.360 nan 0.000 0.458 441 S N -0.132 115.579 115.700 0.019 0.000 2.355 441 S HA -0.247 4.224 4.470 0.001 0.000 0.222 441 S C 2.076 176.691 174.600 0.025 0.000 1.031 441 S CA 1.134 59.337 58.200 0.006 0.000 0.993 441 S CB -0.556 62.681 63.200 0.063 0.000 0.859 441 S HN 0.326 nan 8.310 nan 0.000 0.453 442 Q N 1.089 120.933 119.800 0.073 0.000 2.045 442 Q HA -0.165 4.176 4.340 0.001 0.000 0.206 442 Q C 2.523 178.539 176.000 0.027 0.000 0.991 442 Q CA 1.810 57.648 55.803 0.057 0.000 0.851 442 Q CB -0.322 28.466 28.738 0.084 0.000 0.911 442 Q HN 0.611 nan 8.270 nan 0.000 0.418 443 R N 0.668 121.182 120.500 0.023 0.000 2.112 443 R HA -0.218 4.123 4.340 0.001 0.000 0.242 443 R C 2.198 178.506 176.300 0.013 0.000 1.137 443 R CA 1.670 57.780 56.100 0.015 0.000 0.944 443 R CB -0.378 29.930 30.300 0.013 0.000 0.857 443 R HN 0.257 nan 8.270 nan 0.000 0.435 444 L N 0.246 121.476 121.223 0.012 0.000 2.046 444 L HA -0.178 4.162 4.340 0.001 0.000 0.208 444 L C 2.527 179.401 176.870 0.007 0.000 1.077 444 L CA 1.193 56.043 54.840 0.016 0.000 0.747 444 L CB -0.323 41.751 42.059 0.025 0.000 0.896 444 L HN 0.278 nan 8.230 nan 0.000 0.432 445 I N -0.277 120.290 120.570 -0.005 0.000 2.226 445 I HA -0.204 3.967 4.170 0.001 0.000 0.245 445 I C 2.632 178.753 176.117 0.006 0.000 1.100 445 I CA 1.379 62.678 61.300 -0.002 0.000 1.374 445 I CB -0.851 37.146 38.000 -0.004 0.000 1.057 445 I HN 0.290 nan 8.210 nan 0.000 0.413 446 G N -0.225 108.580 108.800 0.008 0.000 2.440 446 G HA2 -0.311 3.649 3.960 0.001 0.000 0.218 446 G HA3 -0.311 3.649 3.960 0.001 0.000 0.218 446 G C 1.572 176.475 174.900 0.004 0.000 1.154 446 G CA 0.543 45.648 45.100 0.007 0.000 0.767 446 G HN 0.380 nan 8.290 nan 0.000 0.552 447 Q N -0.433 119.371 119.800 0.006 0.000 2.170 447 Q HA -0.075 4.266 4.340 0.001 0.000 0.203 447 Q C 2.395 178.396 176.000 0.002 0.000 0.976 447 Q CA 1.037 56.843 55.803 0.005 0.000 0.858 447 Q CB -0.047 28.697 28.738 0.010 0.000 0.907 447 Q HN 0.561 nan 8.270 nan 0.000 0.433 448 Q N -1.892 117.910 119.800 0.003 0.000 2.403 448 Q HA 0.084 4.425 4.340 0.001 0.000 0.203 448 Q C 0.610 176.600 176.000 -0.016 0.000 0.932 448 Q CA 0.559 56.360 55.803 -0.003 0.000 0.945 448 Q CB 1.078 29.819 28.738 0.004 0.000 1.045 448 Q HN 0.573 nan 8.270 nan 0.000 0.511 449 G N 0.307 109.100 108.800 -0.012 0.000 2.260 449 G HA2 -0.226 3.734 3.960 0.001 0.000 0.179 449 G HA3 -0.226 3.734 3.960 0.001 0.000 0.179 449 G C 0.405 175.297 174.900 -0.014 0.000 1.002 449 G CA -0.214 44.874 45.100 -0.019 0.000 0.677 449 G HN 0.299 nan 8.290 nan 0.000 0.486 450 L N -0.539 120.682 121.223 -0.003 0.000 3.737 450 L HA -0.197 4.144 4.340 0.001 0.000 0.418 450 L C 0.755 177.630 176.870 0.008 0.000 1.216 450 L CA 0.301 55.145 54.840 0.007 0.000 0.915 450 L CB -1.239 40.822 42.059 0.003 0.000 1.834 450 L HN 0.287 nan 8.230 nan 0.000 0.943 451 V N -0.407 119.507 119.914 0.000 0.000 2.686 451 V HA 0.072 4.192 4.120 0.001 0.000 0.295 451 V C 0.974 177.118 176.094 0.082 0.000 1.055 451 V CA -0.260 62.038 62.300 -0.003 0.000 1.050 451 V CB 1.327 33.075 31.823 -0.124 0.000 0.984 451 V HN 0.163 nan 8.190 nan 0.000 0.482 452 D N 2.939 123.402 120.400 0.105 0.000 2.493 452 D HA 0.189 4.830 4.640 0.001 0.000 0.240 452 D C 1.170 177.615 176.300 0.242 0.000 1.142 452 D CA 1.582 55.682 54.000 0.167 0.000 0.872 452 D CB 1.096 41.987 40.800 0.152 0.000 1.173 452 D HN 0.974 nan 8.370 nan 0.000 0.467 453 G N 2.929 111.862 108.800 0.222 0.000 2.184 453 G HA2 -0.292 3.669 3.960 0.001 0.000 0.264 453 G HA3 -0.292 3.669 3.960 0.001 0.000 0.264 453 G C 0.416 175.501 174.900 0.309 0.000 0.975 453 G CA 0.354 45.572 45.100 0.196 0.000 0.642 453 G HN 0.542 nan 8.290 nan 0.000 0.536 454 L N 1.575 122.987 121.223 0.314 0.000 2.462 454 L HA 0.664 5.005 4.340 0.001 0.000 0.272 454 L C 0.189 177.227 176.870 0.279 0.000 1.166 454 L CA -0.392 54.620 54.840 0.286 0.000 0.880 454 L CB -0.073 42.077 42.059 0.153 0.000 1.142 454 L HN 0.543 nan 8.230 nan 0.000 0.473 455 F N 5.100 125.097 119.950 0.077 0.000 2.631 455 F HA 0.804 5.332 4.527 0.001 0.000 0.308 455 F C -1.684 174.164 175.800 0.080 0.000 1.097 455 F CA -1.479 56.547 58.000 0.044 0.000 0.952 455 F CB 1.042 40.041 39.000 -0.002 0.000 1.307 455 F HN 0.466 nan 8.300 nan 0.000 0.450 456 L N 0.882 122.139 121.223 0.056 0.000 2.415 456 L HA 0.950 5.290 4.340 0.001 0.000 0.256 456 L C -1.922 175.104 176.870 0.259 0.000 1.010 456 L CA -1.181 53.670 54.840 0.019 0.000 0.826 456 L CB 1.862 43.729 42.059 -0.320 0.000 1.405 456 L HN 0.593 nan 8.230 nan 0.000 0.410 457 V N 1.646 121.808 119.914 0.413 0.000 2.459 457 V HA 0.800 4.921 4.120 0.001 0.000 0.295 457 V C -0.182 176.110 176.094 0.330 0.000 1.029 457 V CA -0.419 62.156 62.300 0.459 0.000 0.874 457 V CB 1.522 33.762 31.823 0.695 0.000 0.985 457 V HN 1.006 nan 8.190 nan 0.000 0.438 458 R N 2.452 123.115 120.500 0.272 0.000 2.867 458 R HA 0.721 5.062 4.340 0.001 0.000 0.268 458 R C -0.964 175.513 176.300 0.295 0.000 1.014 458 R CA -1.008 55.171 56.100 0.132 0.000 0.946 458 R CB 2.067 32.389 30.300 0.037 0.000 1.208 458 R HN 0.557 nan 8.270 nan 0.000 0.477 459 E N 1.029 121.327 120.200 0.164 0.000 2.338 459 E HA 0.066 4.417 4.350 0.001 0.000 0.272 459 E C -0.429 176.150 176.600 -0.034 0.000 1.029 459 E CA -0.317 56.090 56.400 0.010 0.000 0.872 459 E CB 1.346 31.017 29.700 -0.048 0.000 1.015 459 E HN 0.467 nan 8.360 nan 0.000 0.417 460 S N 2.080 117.731 115.700 -0.082 0.000 2.558 460 S HA -0.099 4.371 4.470 0.001 0.000 0.288 460 S C 0.961 175.525 174.600 -0.061 0.000 1.318 460 S CA 0.155 58.323 58.200 -0.054 0.000 1.056 460 S CB 0.675 63.839 63.200 -0.061 0.000 0.853 460 S HN 0.532 nan 8.310 nan 0.000 0.505 461 Q N 2.934 122.706 119.800 -0.046 0.000 2.187 461 Q HA 0.018 4.358 4.340 0.001 0.000 0.199 461 Q C 2.161 178.137 176.000 -0.040 0.000 0.957 461 Q CA 0.919 56.697 55.803 -0.042 0.000 0.857 461 Q CB 0.065 28.780 28.738 -0.039 0.000 0.929 461 Q HN 0.689 nan 8.270 nan 0.000 0.453 462 R N 0.143 120.619 120.500 -0.040 0.000 2.112 462 R HA 0.052 4.392 4.340 0.001 0.000 0.216 462 R C 0.761 177.041 176.300 -0.034 0.000 1.080 462 R CA 0.272 56.352 56.100 -0.034 0.000 0.996 462 R CB 0.074 30.355 30.300 -0.031 0.000 0.902 462 R HN 0.001 nan 8.270 nan 0.000 0.449 463 N N 1.510 120.186 118.700 -0.041 0.000 2.462 463 N HA 0.119 4.860 4.740 0.001 0.000 0.242 463 N C -2.173 173.293 175.510 -0.073 0.000 1.010 463 N CA -2.150 50.873 53.050 -0.045 0.000 0.939 463 N CB 1.620 40.087 38.487 -0.033 0.000 1.127 463 N HN -0.177 nan 8.380 nan 0.000 0.509 464 P HA -0.060 nan 4.420 nan 0.000 0.226 464 P C 0.425 177.670 177.300 -0.092 0.000 1.146 464 P CA 1.098 64.160 63.100 -0.064 0.000 0.773 464 P CB 0.488 32.169 31.700 -0.032 0.000 0.772 465 Q N -2.037 117.709 119.800 -0.090 0.000 2.189 465 Q HA 0.271 4.611 4.340 0.001 0.000 0.223 465 Q C 1.000 176.931 176.000 -0.115 0.000 0.828 465 Q CA 0.183 55.942 55.803 -0.073 0.000 0.967 465 Q CB 0.659 29.398 28.738 0.002 0.000 1.139 465 Q HN 0.114 nan 8.270 nan 0.000 0.497 466 G N -0.024 108.674 108.800 -0.170 0.000 2.437 466 G HA2 0.588 4.548 3.960 0.001 0.000 0.319 466 G HA3 0.588 4.548 3.960 0.001 0.000 0.319 466 G C -0.901 173.797 174.900 -0.337 0.000 1.158 466 G CA -0.245 44.800 45.100 -0.091 0.000 0.899 466 G HN -0.062 nan 8.290 nan 0.000 0.502 467 F N -0.843 119.211 119.950 0.173 0.000 2.594 467 F HA 0.687 5.214 4.527 0.000 0.000 0.335 467 F C 0.093 175.992 175.800 0.165 0.000 1.058 467 F CA -0.887 57.221 58.000 0.180 0.000 0.981 467 F CB 2.514 41.634 39.000 0.200 0.000 1.289 467 F HN 0.263 nan 8.300 nan 0.000 0.490 468 V N 2.165 122.298 119.914 0.365 0.000 2.686 468 V HA 0.370 4.490 4.120 0.001 0.000 0.306 468 V C -1.275 174.995 176.094 0.294 0.000 1.065 468 V CA -0.750 61.718 62.300 0.280 0.000 0.894 468 V CB 2.003 33.957 31.823 0.218 0.000 1.004 468 V HN 0.550 nan 8.190 nan 0.000 0.424 469 L N 4.226 125.614 121.223 0.275 0.000 2.257 469 L HA 0.637 4.977 4.340 0.001 0.000 0.290 469 L C 0.162 177.180 176.870 0.247 0.000 1.044 469 L CA 0.665 55.650 54.840 0.241 0.000 0.810 469 L CB 1.240 43.386 42.059 0.146 0.000 1.193 469 L HN 0.685 nan 8.230 nan 0.000 0.425 470 S N 6.478 122.290 115.700 0.186 0.000 2.433 470 S HA 0.706 5.176 4.470 0.001 0.000 0.310 470 S C -0.759 173.881 174.600 0.067 0.000 1.097 470 S CA -0.465 57.756 58.200 0.035 0.000 1.103 470 S CB 1.135 64.352 63.200 0.027 0.000 0.992 470 S HN 0.604 nan 8.310 nan 0.000 0.469 471 L N 3.203 124.451 121.223 0.041 0.000 2.401 471 L HA 0.733 5.073 4.340 0.001 0.000 0.266 471 L C -0.955 175.970 176.870 0.092 0.000 0.991 471 L CA -0.496 54.419 54.840 0.124 0.000 0.818 471 L CB 1.638 43.785 42.059 0.145 0.000 1.321 471 L HN 0.750 nan 8.230 nan 0.000 0.413 472 C N 3.881 123.256 119.300 0.124 0.000 2.319 472 C HA 0.830 5.291 4.460 0.001 0.000 0.335 472 C C -0.914 174.194 174.990 0.197 0.000 1.274 472 C CA -0.028 59.061 59.018 0.119 0.000 1.806 472 C CB -0.228 27.565 27.740 0.088 0.000 2.329 472 C HN 0.980 nan 8.230 nan 0.000 0.524 473 H N 4.215 123.313 119.070 0.047 0.000 3.128 473 H HA 0.383 4.939 4.556 0.001 0.000 0.336 473 H C -0.094 175.256 175.328 0.036 0.000 1.026 473 H CA -0.669 55.407 56.048 0.047 0.000 1.376 473 H CB 0.498 30.292 29.762 0.053 0.000 1.882 473 H HN 0.857 nan 8.280 nan 0.000 0.479 474 L N 4.849 125.869 121.223 -0.338 0.000 3.677 474 L HA -0.342 3.998 4.340 0.001 0.000 0.464 474 L C -0.009 176.794 176.870 -0.113 0.000 1.278 474 L CA 0.907 55.583 54.840 -0.274 0.000 0.806 474 L CB -1.470 40.348 42.059 -0.402 0.000 1.610 474 L HN 0.875 nan 8.230 nan 0.000 0.867 475 Q N -2.865 116.903 119.800 -0.053 0.000 2.406 475 Q HA -0.199 4.141 4.340 0.001 0.000 0.236 475 Q C -0.071 175.924 176.000 -0.008 0.000 0.799 475 Q CA 2.084 57.875 55.803 -0.021 0.000 1.286 475 Q CB -0.903 27.821 28.738 -0.024 0.000 1.615 475 Q HN 0.736 nan 8.270 nan 0.000 0.621 476 K N -0.137 120.262 120.400 -0.002 0.000 2.378 476 K HA 0.633 4.953 4.320 0.001 0.000 0.252 476 K C -0.643 175.970 176.600 0.022 0.000 0.931 476 K CA -0.898 55.396 56.287 0.012 0.000 0.794 476 K CB 2.465 34.973 32.500 0.013 0.000 1.181 476 K HN -0.135 nan 8.250 nan 0.000 0.425 477 V N 3.956 123.870 119.914 0.000 0.000 2.461 477 V HA 0.202 4.323 4.120 0.001 0.000 0.275 477 V C 0.028 176.041 176.094 -0.135 0.000 1.047 477 V CA -0.444 61.816 62.300 -0.067 0.000 0.955 477 V CB 0.695 32.461 31.823 -0.095 0.000 0.988 477 V HN 0.592 nan 8.190 nan 0.000 0.471 478 K N 3.515 123.811 120.400 -0.173 0.000 2.208 478 K HA 0.585 4.906 4.320 0.001 0.000 0.247 478 K C -0.733 175.586 176.600 -0.468 0.000 0.953 478 K CA -0.673 55.470 56.287 -0.239 0.000 0.837 478 K CB 1.840 34.279 32.500 -0.101 0.000 1.131 478 K HN 0.687 nan 8.250 nan 0.000 0.431 479 H N 1.610 120.500 119.070 -0.300 0.000 2.547 479 H HA 0.313 4.870 4.556 0.001 0.000 0.342 479 H C -0.898 174.171 175.328 -0.431 0.000 1.048 479 H CA -0.502 55.427 56.048 -0.199 0.000 1.204 479 H CB 1.118 30.825 29.762 -0.092 0.000 1.493 479 H HN 0.422 nan 8.280 nan 0.000 0.511 480 Y N 2.251 122.625 120.300 0.123 0.000 2.328 480 Y HA 0.244 4.795 4.550 0.001 0.000 0.336 480 Y C 0.334 176.302 175.900 0.114 0.000 0.960 480 Y CA -0.815 57.338 58.100 0.088 0.000 1.134 480 Y CB 1.398 39.875 38.460 0.027 0.000 1.166 480 Y HN 0.365 nan 8.280 nan 0.000 0.464 481 L N 5.116 126.470 121.223 0.219 0.000 2.410 481 L HA 0.306 4.646 4.340 0.001 0.000 0.273 481 L C -0.392 176.618 176.870 0.232 0.000 1.152 481 L CA 0.074 55.032 54.840 0.196 0.000 0.855 481 L CB 0.279 42.419 42.059 0.135 0.000 1.129 481 L HN 0.542 nan 8.230 nan 0.000 0.463 482 I N 4.842 125.578 120.570 0.277 0.000 2.355 482 I HA 0.375 4.546 4.170 0.001 0.000 0.288 482 I C -0.383 175.968 176.117 0.390 0.000 0.999 482 I CA -0.164 61.333 61.300 0.329 0.000 1.163 482 I CB 1.304 39.509 38.000 0.342 0.000 1.316 482 I HN 0.406 nan 8.210 nan 0.000 0.454 483 L N 8.223 129.640 121.223 0.323 0.000 2.346 483 L HA 0.587 4.927 4.340 0.001 0.000 0.276 483 L C -2.366 174.602 176.870 0.164 0.000 1.006 483 L CA -1.953 53.035 54.840 0.246 0.000 0.817 483 L CB 2.052 44.183 42.059 0.120 0.000 1.272 483 L HN 0.316 nan 8.230 nan 0.000 0.421 484 P HA 0.164 nan 4.420 nan 0.000 0.280 484 P C -1.021 176.037 177.300 -0.404 0.000 1.244 484 P CA -0.290 62.592 63.100 -0.363 0.000 0.784 484 P CB 1.428 33.011 31.700 -0.194 0.000 0.913 485 S N 1.767 117.031 115.700 -0.726 0.000 2.500 485 S HA 0.341 4.812 4.470 0.001 0.000 0.301 485 S C -0.556 173.693 174.600 -0.585 0.000 1.092 485 S CA -0.581 57.210 58.200 -0.682 0.000 1.030 485 S CB 1.555 64.148 63.200 -1.013 0.000 1.031 485 S HN 0.448 nan 8.310 nan 0.000 0.483 486 E N 1.680 121.706 120.200 -0.289 0.000 2.129 486 E HA 0.291 4.641 4.350 0.001 0.000 0.268 486 E C -1.114 175.449 176.600 -0.061 0.000 0.900 486 E CA -0.240 56.066 56.400 -0.157 0.000 0.755 486 E CB 0.885 30.519 29.700 -0.109 0.000 1.117 486 E HN 0.591 nan 8.360 nan 0.000 0.410 487 E N 4.348 124.554 120.200 0.010 0.000 2.235 487 E HA 0.101 4.451 4.350 0.001 0.000 0.252 487 E C -1.015 175.607 176.600 0.037 0.000 0.886 487 E CA -0.265 56.167 56.400 0.055 0.000 0.767 487 E CB 0.600 30.390 29.700 0.151 0.000 1.205 487 E HN 0.565 nan 8.360 nan 0.000 0.421 488 E N 2.575 122.785 120.200 0.017 0.000 2.271 488 E HA -0.294 4.057 4.350 0.001 0.000 0.223 488 E C 0.553 177.159 176.600 0.010 0.000 1.223 488 E CA 0.474 56.881 56.400 0.011 0.000 0.704 488 E CB -1.534 28.173 29.700 0.011 0.000 1.194 488 E HN 1.077 nan 8.360 nan 0.000 0.375 489 G N -0.012 108.791 108.800 0.005 0.000 2.179 489 G HA2 -0.348 3.613 3.960 0.001 0.000 0.260 489 G HA3 -0.348 3.613 3.960 0.001 0.000 0.260 489 G C 0.193 175.098 174.900 0.008 0.000 0.977 489 G CA 0.504 45.606 45.100 0.005 0.000 0.641 489 G HN 0.233 nan 8.290 nan 0.000 0.533 490 R N -0.386 120.125 120.500 0.017 0.000 2.445 490 R HA 0.616 4.957 4.340 0.001 0.000 0.308 490 R C -0.914 175.405 176.300 0.032 0.000 0.961 490 R CA -0.869 55.252 56.100 0.034 0.000 0.862 490 R CB 1.914 32.245 30.300 0.051 0.000 1.144 490 R HN 0.235 nan 8.270 nan 0.000 0.447 491 L N 4.792 126.019 121.223 0.008 0.000 2.295 491 L HA 0.435 4.776 4.340 0.001 0.000 0.285 491 L C -1.148 175.700 176.870 -0.038 0.000 1.035 491 L CA -0.504 54.274 54.840 -0.103 0.000 0.806 491 L CB 0.746 42.730 42.059 -0.125 0.000 1.214 491 L HN 0.544 nan 8.230 nan 0.000 0.426 492 Y N 2.393 122.528 120.300 -0.276 0.000 2.638 492 Y HA 0.810 5.360 4.550 0.001 0.000 0.339 492 Y C -1.709 173.913 175.900 -0.464 0.000 1.084 492 Y CA -1.835 56.132 58.100 -0.221 0.000 1.068 492 Y CB 1.003 39.411 38.460 -0.088 0.000 1.294 492 Y HN 0.370 nan 8.280 nan 0.000 0.480 493 F N 0.797 120.895 119.950 0.247 0.000 2.508 493 F HA 0.726 5.253 4.527 0.000 0.000 0.325 493 F C 0.100 176.108 175.800 0.347 0.000 1.090 493 F CA -0.766 57.356 58.000 0.205 0.000 0.945 493 F CB 2.349 41.452 39.000 0.171 0.000 1.156 493 F HN 0.612 nan 8.300 nan 0.000 0.463 494 S N 2.395 118.350 115.700 0.425 0.000 2.540 494 S HA 0.548 5.018 4.470 0.001 0.000 0.275 494 S C 0.015 174.788 174.600 0.289 0.000 1.123 494 S CA -0.604 57.813 58.200 0.362 0.000 0.907 494 S CB 1.343 64.733 63.200 0.315 0.000 1.081 494 S HN 0.759 nan 8.310 nan 0.000 0.476 495 M N 1.836 121.593 119.600 0.262 0.000 2.414 495 M HA 0.177 4.658 4.480 0.001 0.000 0.251 495 M C -0.055 176.347 176.300 0.170 0.000 1.116 495 M CA 0.357 55.778 55.300 0.201 0.000 1.056 495 M CB 0.078 32.758 32.600 0.134 0.000 1.388 495 M HN 0.682 nan 8.290 nan 0.000 0.487 496 D N -1.426 119.068 120.400 0.156 0.000 2.720 496 D HA 0.116 4.756 4.640 0.001 0.000 0.285 496 D C -0.279 176.079 176.300 0.098 0.000 1.359 496 D CA -0.172 53.900 54.000 0.120 0.000 0.818 496 D CB -0.199 40.665 40.800 0.107 0.000 1.108 496 D HN 0.049 nan 8.370 nan 0.000 0.474 497 D N -0.004 120.463 120.400 0.112 0.000 2.835 497 D HA -0.130 4.511 4.640 0.001 0.000 0.230 497 D C 1.290 177.649 176.300 0.099 0.000 1.130 497 D CA 1.893 55.951 54.000 0.097 0.000 0.738 497 D CB -1.338 39.506 40.800 0.072 0.000 1.090 497 D HN 0.749 nan 8.370 nan 0.000 0.433 498 G N -1.037 107.843 108.800 0.132 0.000 2.176 498 G HA2 -0.408 3.552 3.960 0.001 0.000 0.253 498 G HA3 -0.408 3.552 3.960 0.001 0.000 0.253 498 G C 0.986 175.865 174.900 -0.034 0.000 0.979 498 G CA 0.690 45.858 45.100 0.114 0.000 0.641 498 G HN 0.499 nan 8.290 nan 0.000 0.530 499 Q N -0.132 119.657 119.800 -0.019 0.000 2.170 499 Q HA -0.021 4.320 4.340 0.001 0.000 0.203 499 Q C 0.454 176.370 176.000 -0.140 0.000 0.976 499 Q CA 1.700 57.467 55.803 -0.060 0.000 0.858 499 Q CB 0.022 28.750 28.738 -0.016 0.000 0.907 499 Q HN 0.592 nan 8.270 nan 0.000 0.433 500 T N 1.346 115.802 114.554 -0.162 0.000 2.890 500 T HA 0.503 4.853 4.350 0.001 0.000 0.295 500 T C -0.614 173.768 174.700 -0.530 0.000 0.993 500 T CA -0.596 61.282 62.100 -0.370 0.000 0.979 500 T CB 1.526 70.236 68.868 -0.263 0.000 0.967 500 T HN 0.021 nan 8.240 nan 0.000 0.441 501 R N 2.016 122.050 120.500 -0.777 0.000 2.562 501 R HA 0.750 5.091 4.340 0.001 0.000 0.298 501 R C -1.312 174.508 176.300 -0.800 0.000 0.961 501 R CA -0.735 55.008 56.100 -0.594 0.000 0.881 501 R CB 1.552 31.443 30.300 -0.683 0.000 1.159 501 R HN 0.433 nan 8.270 nan 0.000 0.450 502 F N -0.674 119.348 119.950 0.120 0.000 2.576 502 F HA 0.248 4.775 4.527 0.001 0.000 0.313 502 F C 1.520 177.467 175.800 0.246 0.000 1.078 502 F CA -0.885 57.186 58.000 0.118 0.000 0.921 502 F CB 2.142 41.203 39.000 0.101 0.000 1.232 502 F HN 0.584 nan 8.300 nan 0.000 0.459 503 T N -2.743 112.031 114.554 0.367 0.000 2.942 503 T HA 0.092 4.443 4.350 0.001 0.000 0.265 503 T C -0.032 174.912 174.700 0.407 0.000 1.062 503 T CA 1.377 63.666 62.100 0.315 0.000 1.139 503 T CB -0.416 68.563 68.868 0.185 0.000 0.883 503 T HN 0.631 nan 8.240 nan 0.000 0.468 504 D N -0.968 119.591 120.400 0.264 0.000 2.677 504 D HA 0.346 4.987 4.640 0.001 0.000 0.298 504 D C 0.920 177.120 176.300 -0.166 0.000 1.250 504 D CA -0.960 53.024 54.000 -0.026 0.000 0.888 504 D CB 0.359 41.129 40.800 -0.051 0.000 1.397 504 D HN 0.003 nan 8.370 nan 0.000 0.461 505 L N -0.509 120.493 121.223 -0.369 0.000 2.046 505 L HA -0.076 4.265 4.340 0.001 0.000 0.208 505 L C 2.255 179.042 176.870 -0.138 0.000 1.077 505 L CA 0.895 55.570 54.840 -0.274 0.000 0.747 505 L CB -0.497 41.432 42.059 -0.218 0.000 0.896 505 L HN 0.386 nan 8.230 nan 0.000 0.432 506 L N -0.139 121.112 121.223 0.048 0.000 2.046 506 L HA -0.243 4.097 4.340 0.001 0.000 0.208 506 L C 2.579 179.405 176.870 -0.073 0.000 1.077 506 L CA 1.718 56.620 54.840 0.104 0.000 0.747 506 L CB -0.677 41.501 42.059 0.200 0.000 0.896 506 L HN 0.257 nan 8.230 nan 0.000 0.432 507 Q N -0.608 119.160 119.800 -0.054 0.000 2.061 507 Q HA -0.266 4.074 4.340 0.001 0.000 0.204 507 Q C 2.405 178.199 176.000 -0.343 0.000 0.984 507 Q CA 2.433 58.212 55.803 -0.040 0.000 0.846 507 Q CB -0.349 28.479 28.738 0.150 0.000 0.902 507 Q HN 0.665 nan 8.270 nan 0.000 0.421 508 L N -0.026 120.759 121.223 -0.730 0.000 2.012 508 L HA -0.212 4.129 4.340 0.001 0.000 0.210 508 L C 2.244 178.753 176.870 -0.602 0.000 1.073 508 L CA 1.297 55.343 54.840 -1.323 0.000 0.748 508 L CB -0.280 41.261 42.059 -0.862 0.000 0.891 508 L HN 0.107 nan 8.230 nan 0.000 0.431 509 V N 0.089 119.679 119.914 -0.541 0.000 2.295 509 V HA -0.270 3.850 4.120 0.001 0.000 0.246 509 V C 2.461 178.313 176.094 -0.404 0.000 1.049 509 V CA 2.135 64.075 62.300 -0.600 0.000 1.024 509 V CB -0.628 30.561 31.823 -1.056 0.000 0.648 509 V HN 0.499 nan 8.190 nan 0.000 0.447 510 E N -0.623 119.417 120.200 -0.266 0.000 2.085 510 E HA -0.262 4.088 4.350 0.001 0.000 0.194 510 E C 2.070 178.593 176.600 -0.129 0.000 0.994 510 E CA 1.669 57.984 56.400 -0.142 0.000 0.801 510 E CB -0.260 29.412 29.700 -0.046 0.000 0.743 510 E HN 0.626 nan 8.360 nan 0.000 0.453 511 F N 1.188 120.974 119.950 -0.274 0.000 2.102 511 F HA -0.185 4.343 4.527 0.000 0.000 0.298 511 F C 1.944 177.493 175.800 -0.418 0.000 1.105 511 F CA 1.811 59.633 58.000 -0.296 0.000 1.239 511 F CB -0.155 38.700 39.000 -0.241 0.000 0.991 511 F HN 0.030 nan 8.300 nan 0.000 0.474 512 H N -0.795 118.122 119.070 -0.254 0.000 2.556 512 H HA 0.026 4.582 4.556 0.001 0.000 0.268 512 H C 1.839 176.919 175.328 -0.413 0.000 0.996 512 H CA 0.694 56.534 56.048 -0.348 0.000 1.157 512 H CB -0.127 29.443 29.762 -0.320 0.000 1.355 512 H HN 0.436 nan 8.280 nan 0.000 0.597 513 Q N -0.268 119.335 119.800 -0.329 0.000 2.311 513 Q HA 0.024 4.365 4.340 0.001 0.000 0.203 513 Q C 1.245 177.090 176.000 -0.257 0.000 0.954 513 Q CA 0.758 56.388 55.803 -0.289 0.000 0.885 513 Q CB 0.488 29.089 28.738 -0.229 0.000 0.963 513 Q HN 0.521 nan 8.270 nan 0.000 0.471 514 L N -0.751 120.277 121.223 -0.325 0.000 2.717 514 L HA 0.220 4.560 4.340 0.001 0.000 0.239 514 L C -0.053 176.595 176.870 -0.371 0.000 1.086 514 L CA 0.061 54.719 54.840 -0.304 0.000 0.897 514 L CB 0.536 42.423 42.059 -0.286 0.000 1.214 514 L HN 0.073 nan 8.230 nan 0.000 0.508 515 N N 0.139 118.507 118.700 -0.553 0.000 2.346 515 N HA 0.299 5.040 4.740 0.001 0.000 0.289 515 N C 0.276 175.559 175.510 -0.379 0.000 1.027 515 N CA -0.427 52.275 53.050 -0.581 0.000 0.864 515 N CB 2.352 40.147 38.487 -1.154 0.000 1.370 515 N HN -0.050 nan 8.380 nan 0.000 0.481 516 R N 1.421 121.811 120.500 -0.183 0.000 2.066 516 R HA -0.029 4.312 4.340 0.001 0.000 0.232 516 R C 1.355 177.713 176.300 0.096 0.000 1.131 516 R CA 1.297 57.362 56.100 -0.058 0.000 0.955 516 R CB -0.348 29.908 30.300 -0.074 0.000 0.851 516 R HN 0.855 nan 8.270 nan 0.000 0.432 517 G N 1.491 110.352 108.800 0.101 0.000 2.611 517 G HA2 -0.364 3.597 3.960 0.001 0.000 0.301 517 G HA3 -0.364 3.597 3.960 0.001 0.000 0.301 517 G C 0.781 175.745 174.900 0.108 0.000 1.233 517 G CA 0.509 45.738 45.100 0.215 0.000 0.993 517 G HN 0.482 nan 8.290 nan 0.000 0.553 518 I N -0.146 120.482 120.570 0.097 0.000 3.444 518 I HA 0.401 4.571 4.170 0.001 0.000 0.287 518 I C 0.994 177.056 176.117 -0.092 0.000 1.302 518 I CA 0.127 61.435 61.300 0.012 0.000 1.368 518 I CB -0.395 37.624 38.000 0.032 0.000 1.048 518 I HN 0.258 nan 8.210 nan 0.000 0.487 519 L N 2.805 123.931 121.223 -0.162 0.000 2.371 519 L HA 0.299 4.639 4.340 0.001 0.000 0.272 519 L C -0.959 175.789 176.870 -0.204 0.000 1.124 519 L CA -1.609 53.048 54.840 -0.305 0.000 0.816 519 L CB 0.371 42.202 42.059 -0.380 0.000 1.129 519 L HN -0.056 nan 8.230 nan 0.000 0.448 520 P HA -0.050 nan 4.420 nan 0.000 0.230 520 P C 0.034 177.041 177.300 -0.489 0.000 1.158 520 P CA 0.486 63.399 63.100 -0.312 0.000 0.769 520 P CB 0.086 31.581 31.700 -0.342 0.000 0.807 521 C N -3.423 115.641 119.300 -0.393 0.000 3.314 521 C HA 0.593 5.054 4.460 0.001 0.000 0.344 521 C C -0.476 174.395 174.990 -0.198 0.000 1.461 521 C CA -1.490 57.360 59.018 -0.280 0.000 1.249 521 C CB 0.522 28.098 27.740 -0.274 0.000 1.632 521 C HN -0.036 nan 8.230 nan 0.000 0.452 522 L N 1.298 122.428 121.223 -0.155 0.000 2.421 522 L HA 0.454 4.794 4.340 0.001 0.000 0.263 522 L C -0.057 176.685 176.870 -0.212 0.000 1.122 522 L CA -0.589 54.142 54.840 -0.182 0.000 0.804 522 L CB 0.583 42.542 42.059 -0.167 0.000 1.150 522 L HN 0.584 nan 8.230 nan 0.000 0.457 523 L N 2.514 123.534 121.223 -0.339 0.000 2.407 523 L HA 0.195 4.535 4.340 0.001 0.000 0.282 523 L C 0.981 177.680 176.870 -0.285 0.000 1.110 523 L CA 0.128 54.651 54.840 -0.528 0.000 0.863 523 L CB 0.269 41.598 42.059 -1.216 0.000 1.207 523 L HN 0.681 nan 8.230 nan 0.000 0.454 524 R N 1.119 121.567 120.500 -0.087 0.000 2.164 524 R HA 0.203 4.544 4.340 0.001 0.000 0.198 524 R C -0.015 176.087 176.300 -0.331 0.000 1.028 524 R CA 0.111 56.050 56.100 -0.268 0.000 1.083 524 R CB 0.562 30.615 30.300 -0.413 0.000 1.026 524 R HN 0.561 nan 8.270 nan 0.000 0.514 525 H N -0.312 118.946 119.070 0.312 0.000 2.823 525 H HA 0.232 4.788 4.556 0.001 0.000 0.332 525 H C -0.611 174.764 175.328 0.080 0.000 0.980 525 H CA -1.060 55.108 56.048 0.200 0.000 1.286 525 H CB 1.413 31.243 29.762 0.113 0.000 1.541 525 H HN 0.097 nan 8.280 nan 0.000 0.521 526 C N 2.582 121.914 119.300 0.055 0.000 2.633 526 C HA -0.015 4.445 4.460 0.001 0.000 0.415 526 C C 1.464 176.379 174.990 -0.126 0.000 1.393 526 C CA -0.334 58.516 59.018 -0.280 0.000 1.700 526 C CB -0.804 26.932 27.740 -0.007 0.000 2.541 526 C HN 0.788 nan 8.230 nan 0.000 0.603 527 C N 6.617 125.799 119.300 -0.197 0.000 2.256 527 C HA 0.467 4.927 4.460 0.001 0.000 0.333 527 C C 1.061 176.134 174.990 0.139 0.000 1.183 527 C CA -0.312 58.694 59.018 -0.020 0.000 1.692 527 C CB -1.474 26.228 27.740 -0.062 0.000 2.274 527 C HN 1.010 nan 8.230 nan 0.000 0.509 528 T N 2.927 117.536 114.554 0.091 0.000 2.869 528 T HA 0.245 4.596 4.350 0.001 0.000 0.295 528 T C 1.110 175.783 174.700 -0.045 0.000 0.987 528 T CA -0.653 61.466 62.100 0.033 0.000 1.109 528 T CB 0.770 69.633 68.868 -0.010 0.000 0.932 528 T HN 0.857 nan 8.240 nan 0.000 0.518 529 R N 1.344 121.603 120.500 -0.402 0.000 2.316 529 R HA 0.217 4.558 4.340 0.001 0.000 0.202 529 R C 0.603 176.738 176.300 -0.275 0.000 1.029 529 R CA 0.161 55.854 56.100 -0.679 0.000 1.018 529 R CB -0.611 29.087 30.300 -1.004 0.000 0.888 529 R HN 0.586 nan 8.270 nan 0.000 0.471 530 V N -3.417 116.398 119.914 -0.166 0.000 3.001 530 V HA 0.853 4.973 4.120 0.001 0.000 0.314 530 V C -0.192 175.869 176.094 -0.054 0.000 1.099 530 V CA -1.279 60.963 62.300 -0.096 0.000 0.989 530 V CB 1.678 33.449 31.823 -0.087 0.000 1.040 530 V HN 0.143 nan 8.190 nan 0.000 0.434 531 A N 3.232 126.030 122.820 -0.036 0.000 2.371 531 A HA 0.798 5.119 4.320 0.001 0.000 0.257 531 A C -0.295 177.278 177.584 -0.018 0.000 1.089 531 A CA -0.355 51.670 52.037 -0.020 0.000 0.794 531 A CB 0.132 19.123 19.000 -0.015 0.000 1.029 531 A HN 0.978 nan 8.150 nan 0.000 0.488 532 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