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_C 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 0.000 174.616 174.600 0.027 0.000 1.055 420 S CA 0.000 58.215 58.200 0.025 0.000 1.107 420 S CB 0.000 63.211 63.200 0.018 0.000 0.593 421 L N 3.028 124.266 121.223 0.024 0.000 2.017 421 L HA 0.189 4.529 4.340 0.000 0.000 0.208 421 L C 2.083 178.973 176.870 0.033 0.000 1.073 421 L CA 3.072 57.925 54.840 0.023 0.000 0.745 421 L CB -1.023 41.046 42.059 0.016 0.000 0.894 421 L HN 0.465 nan 8.230 nan 0.000 0.432 422 S N 0.518 116.240 115.700 0.037 0.000 2.359 422 S HA -0.277 4.194 4.470 0.000 0.000 0.222 422 S C 2.142 176.795 174.600 0.088 0.000 1.038 422 S CA 1.486 59.714 58.200 0.047 0.000 1.051 422 S CB -1.150 62.078 63.200 0.047 0.000 0.944 422 S HN 0.700 nan 8.310 nan 0.000 0.433 423 A N 1.915 124.793 122.820 0.096 0.000 1.892 423 A HA -0.029 4.291 4.320 0.000 0.000 0.218 423 A C 2.436 180.077 177.584 0.094 0.000 1.188 423 A CA 2.111 54.214 52.037 0.109 0.000 0.631 423 A CB -1.349 17.688 19.000 0.061 0.000 0.822 423 A HN 0.594 nan 8.150 nan 0.000 0.447 424 A N 0.102 122.958 122.820 0.060 0.000 1.933 424 A HA -0.042 4.278 4.320 0.000 0.000 0.218 424 A C 1.952 179.569 177.584 0.055 0.000 1.175 424 A CA 1.624 53.688 52.037 0.045 0.000 0.628 424 A CB -0.663 18.353 19.000 0.027 0.000 0.814 424 A HN 1.145 nan 8.150 nan 0.000 0.444 425 I N -5.207 115.399 120.570 0.061 0.000 3.976 425 I HA 0.218 4.389 4.170 0.000 0.000 0.337 425 I C 1.678 177.836 176.117 0.069 0.000 1.359 425 I CA 0.256 61.584 61.300 0.046 0.000 1.098 425 I CB -0.299 37.711 38.000 0.016 0.000 1.027 425 I HN 0.273 nan 8.210 nan 0.000 0.394 426 H N 3.568 122.649 119.070 0.017 0.000 2.400 426 H HA -0.127 4.429 4.556 0.000 0.000 0.295 426 H C 1.078 176.427 175.328 0.036 0.000 1.118 426 H CA 1.839 57.905 56.048 0.029 0.000 1.256 426 H CB 0.159 29.937 29.762 0.026 0.000 1.365 426 H HN 0.487 nan 8.280 nan 0.000 0.502 427 R N 0.889 121.510 120.500 0.202 0.000 2.633 427 R HA 0.114 4.455 4.340 0.000 0.000 0.348 427 R C 0.082 176.416 176.300 0.057 0.000 1.100 427 R CA 0.318 56.510 56.100 0.154 0.000 1.068 427 R CB 0.612 31.005 30.300 0.155 0.000 1.351 427 R HN 0.265 nan 8.270 nan 0.000 0.575 428 T N -1.427 113.140 114.554 0.021 0.000 2.907 428 T HA 0.284 4.634 4.350 0.000 0.000 0.284 428 T C 0.154 174.801 174.700 -0.087 0.000 1.004 428 T CA -0.821 61.256 62.100 -0.039 0.000 1.063 428 T CB 2.074 70.917 68.868 -0.041 0.000 0.992 428 T HN -0.145 nan 8.240 nan 0.000 0.483 429 Q N 2.819 122.488 119.800 -0.218 0.000 2.560 429 Q HA 0.343 4.683 4.340 0.000 0.000 0.238 429 Q C 0.892 176.479 176.000 -0.688 0.000 1.079 429 Q CA -0.267 55.236 55.803 -0.499 0.000 0.866 429 Q CB 1.022 29.346 28.738 -0.689 0.000 1.153 429 Q HN 0.752 nan 8.270 nan 0.000 0.530 430 L N 0.392 121.379 121.223 -0.392 0.000 2.465 430 L HA -0.060 4.280 4.340 0.000 0.000 0.224 430 L C 1.817 178.583 176.870 -0.174 0.000 1.145 430 L CA 0.681 55.378 54.840 -0.240 0.000 0.834 430 L CB -0.297 41.704 42.059 -0.097 0.000 0.944 430 L HN 0.593 nan 8.230 nan 0.000 0.451 431 W N -1.114 120.218 121.300 0.052 0.000 2.678 431 W HA -0.024 4.636 4.660 0.000 0.000 0.256 431 W C 0.745 177.417 176.519 0.254 0.000 1.280 431 W CA -0.576 56.775 57.345 0.010 0.000 1.345 431 W CB -0.774 28.614 29.460 -0.119 0.000 1.118 431 W HN -0.060 nan 8.180 nan 0.000 0.629 432 F N 2.745 122.533 119.950 -0.270 0.000 2.420 432 F HA 0.246 4.773 4.527 0.000 0.000 0.352 432 F C 1.274 177.124 175.800 0.084 0.000 1.108 432 F CA -0.447 57.516 58.000 -0.063 0.000 1.162 432 F CB 0.523 39.214 39.000 -0.514 0.000 1.118 432 F HN -0.088 nan 8.300 nan 0.000 0.510 433 H N 4.154 122.713 119.070 -0.851 0.000 2.755 433 H HA 0.224 4.781 4.556 0.000 0.000 0.273 433 H C 1.446 176.363 175.328 -0.686 0.000 1.055 433 H CA 0.186 55.886 56.048 -0.582 0.000 1.191 433 H CB 0.524 30.129 29.762 -0.261 0.000 1.536 433 H HN 0.923 nan 8.280 nan 0.000 0.529 434 G N 2.190 110.249 108.800 -1.235 0.000 2.566 434 G HA2 -0.374 3.586 3.960 0.000 0.000 0.280 434 G HA3 -0.374 3.586 3.960 0.000 0.000 0.280 434 G C 0.203 175.009 174.900 -0.157 0.000 1.225 434 G CA 0.010 44.803 45.100 -0.511 0.000 0.966 434 G HN 0.427 nan 8.290 nan 0.000 0.560 435 R N 1.163 121.635 120.500 -0.046 0.000 3.266 435 R HA 0.470 4.811 4.340 0.000 0.000 0.224 435 R C 0.563 176.852 176.300 -0.018 0.000 1.525 435 R CA 0.152 56.246 56.100 -0.009 0.000 1.364 435 R CB -1.016 29.290 30.300 0.011 0.000 1.276 435 R HN 0.639 nan 8.270 nan 0.000 0.660 436 I N -0.883 119.679 120.570 -0.015 0.000 2.846 436 I HA 0.538 4.708 4.170 0.000 0.000 0.307 436 I C 0.030 176.143 176.117 -0.007 0.000 1.053 436 I CA -1.012 60.287 61.300 -0.002 0.000 1.050 436 I CB 2.163 40.179 38.000 0.026 0.000 1.239 436 I HN 0.219 nan 8.210 nan 0.000 0.439 437 S N 3.465 119.157 115.700 -0.012 0.000 2.645 437 S HA 0.342 4.812 4.470 0.000 0.000 0.266 437 S C 1.065 175.638 174.600 -0.046 0.000 1.258 437 S CA -0.309 57.873 58.200 -0.030 0.000 0.990 437 S CB 1.446 64.629 63.200 -0.029 0.000 0.967 437 S HN 0.943 nan 8.310 nan 0.000 0.556 438 R N 0.557 120.997 120.500 -0.100 0.000 2.083 438 R HA -0.149 4.191 4.340 0.000 0.000 0.237 438 R C 1.794 178.040 176.300 -0.091 0.000 1.137 438 R CA 2.150 58.131 56.100 -0.198 0.000 0.951 438 R CB -0.515 29.601 30.300 -0.307 0.000 0.851 438 R HN 0.818 nan 8.270 nan 0.000 0.434 439 E N 0.379 120.546 120.200 -0.054 0.000 2.047 439 E HA -0.161 4.189 4.350 0.000 0.000 0.191 439 E C 1.913 178.518 176.600 0.008 0.000 0.987 439 E CA 1.112 57.504 56.400 -0.013 0.000 0.799 439 E CB -0.146 29.545 29.700 -0.016 0.000 0.752 439 E HN 0.290 nan 8.360 nan 0.000 0.449 440 E N 0.309 120.511 120.200 0.003 0.000 2.097 440 E HA -0.227 4.124 4.350 0.000 0.000 0.196 440 E C 2.179 178.794 176.600 0.025 0.000 1.000 440 E CA 1.696 58.104 56.400 0.015 0.000 0.804 440 E CB -0.206 29.502 29.700 0.014 0.000 0.740 440 E HN 0.328 nan 8.360 nan 0.000 0.454 441 S N 0.219 115.937 115.700 0.031 0.000 2.383 441 S HA -0.183 4.287 4.470 0.000 0.000 0.227 441 S C 1.941 176.580 174.600 0.065 0.000 1.026 441 S CA 1.075 59.298 58.200 0.039 0.000 0.981 441 S CB -0.298 62.959 63.200 0.094 0.000 0.818 441 S HN 0.241 nan 8.310 nan 0.000 0.472 442 Q N 0.623 120.482 119.800 0.098 0.000 2.167 442 Q HA 0.010 4.350 4.340 0.000 0.000 0.202 442 Q C 2.475 178.502 176.000 0.045 0.000 0.970 442 Q CA 1.152 57.006 55.803 0.085 0.000 0.855 442 Q CB -0.173 28.630 28.738 0.108 0.000 0.911 442 Q HN 0.628 nan 8.270 nan 0.000 0.438 443 R N 0.802 121.323 120.500 0.035 0.000 2.061 443 R HA -0.114 4.226 4.340 0.000 0.000 0.230 443 R C 2.196 178.508 176.300 0.021 0.000 1.140 443 R CA 1.081 57.195 56.100 0.023 0.000 0.940 443 R CB -0.282 30.029 30.300 0.019 0.000 0.839 443 R HN 0.214 nan 8.270 nan 0.000 0.429 444 L N 0.628 121.865 121.223 0.023 0.000 2.043 444 L HA -0.246 4.095 4.340 0.000 0.000 0.212 444 L C 2.555 179.433 176.870 0.014 0.000 1.075 444 L CA 1.460 56.313 54.840 0.023 0.000 0.752 444 L CB -0.431 41.649 42.059 0.034 0.000 0.891 444 L HN 0.319 nan 8.230 nan 0.000 0.432 445 I N -0.392 120.185 120.570 0.010 0.000 2.202 445 I HA -0.173 3.997 4.170 0.000 0.000 0.242 445 I C 2.677 178.803 176.117 0.014 0.000 1.091 445 I CA 1.316 62.622 61.300 0.011 0.000 1.368 445 I CB -0.833 37.177 38.000 0.017 0.000 1.058 445 I HN 0.261 nan 8.210 nan 0.000 0.410 446 G N 0.819 109.629 108.800 0.017 0.000 2.469 446 G HA2 -0.314 3.646 3.960 0.000 0.000 0.220 446 G HA3 -0.314 3.646 3.960 0.000 0.000 0.220 446 G C 1.467 176.372 174.900 0.008 0.000 1.136 446 G CA 1.093 46.201 45.100 0.013 0.000 0.759 446 G HN 0.621 nan 8.290 nan 0.000 0.562 447 Q N -0.700 119.105 119.800 0.008 0.000 2.360 447 Q HA 0.195 4.535 4.340 0.000 0.000 0.202 447 Q C 1.604 177.604 176.000 0.000 0.000 0.915 447 Q CA 0.218 56.023 55.803 0.004 0.000 0.943 447 Q CB 0.135 28.876 28.738 0.006 0.000 1.064 447 Q HN 0.475 nan 8.270 nan 0.000 0.511 448 Q N -0.013 119.787 119.800 -0.000 0.000 2.204 448 Q HA 0.213 4.553 4.340 0.000 0.000 0.209 448 Q C 0.141 176.132 176.000 -0.015 0.000 0.861 448 Q CA 0.290 56.089 55.803 -0.008 0.000 0.971 448 Q CB 1.016 29.751 28.738 -0.005 0.000 1.095 448 Q HN 0.680 nan 8.270 nan 0.000 0.486 449 G N 0.564 109.359 108.800 -0.009 0.000 2.179 449 G HA2 -0.279 3.681 3.960 0.000 0.000 0.220 449 G HA3 -0.279 3.681 3.960 0.000 0.000 0.220 449 G C 0.448 175.345 174.900 -0.004 0.000 0.990 449 G CA -0.168 44.925 45.100 -0.012 0.000 0.646 449 G HN 0.391 nan 8.290 nan 0.000 0.517 450 L N -1.138 120.088 121.223 0.005 0.000 3.634 450 L HA -0.191 4.149 4.340 0.000 0.000 0.423 450 L C 0.888 177.772 176.870 0.023 0.000 1.253 450 L CA 0.328 55.177 54.840 0.015 0.000 0.885 450 L CB -1.709 40.355 42.059 0.007 0.000 1.789 450 L HN 0.286 nan 8.230 nan 0.000 0.904 451 V N 0.134 120.064 119.914 0.027 0.000 2.529 451 V HA -0.029 4.091 4.120 0.000 0.000 0.292 451 V C 1.224 177.386 176.094 0.113 0.000 1.028 451 V CA 0.049 62.374 62.300 0.041 0.000 1.074 451 V CB 0.962 32.776 31.823 -0.016 0.000 0.958 451 V HN 0.219 nan 8.190 nan 0.000 0.481 452 D N 4.001 124.474 120.400 0.122 0.000 2.520 452 D HA 0.138 4.778 4.640 0.000 0.000 0.243 452 D C 1.159 177.597 176.300 0.230 0.000 1.160 452 D CA 1.547 55.651 54.000 0.174 0.000 0.877 452 D CB 0.894 41.787 40.800 0.155 0.000 1.150 452 D HN 1.011 nan 8.370 nan 0.000 0.494 453 G N 2.921 111.848 108.800 0.212 0.000 2.176 453 G HA2 -0.275 3.685 3.960 0.000 0.000 0.253 453 G HA3 -0.275 3.685 3.960 0.000 0.000 0.253 453 G C 0.275 175.346 174.900 0.286 0.000 0.979 453 G CA 0.159 45.363 45.100 0.174 0.000 0.641 453 G HN 0.516 nan 8.290 nan 0.000 0.530 454 L N 1.517 122.913 121.223 0.288 0.000 2.380 454 L HA 0.777 5.117 4.340 0.000 0.000 0.273 454 L C 0.082 177.126 176.870 0.290 0.000 1.138 454 L CA -0.673 54.329 54.840 0.270 0.000 0.832 454 L CB 0.250 42.399 42.059 0.150 0.000 1.124 454 L HN 0.667 nan 8.230 nan 0.000 0.454 455 F N 4.587 124.574 119.950 0.062 0.000 2.693 455 F HA 0.749 5.277 4.527 0.000 0.000 0.309 455 F C -1.956 173.878 175.800 0.057 0.000 1.129 455 F CA -1.496 56.523 58.000 0.031 0.000 0.948 455 F CB 0.775 39.768 39.000 -0.012 0.000 1.315 455 F HN 0.466 nan 8.300 nan 0.000 0.447 456 L N 0.557 121.812 121.223 0.054 0.000 2.409 456 L HA 0.969 5.309 4.340 0.000 0.000 0.255 456 L C -1.719 175.329 176.870 0.297 0.000 1.027 456 L CA -1.309 53.548 54.840 0.029 0.000 0.834 456 L CB 1.578 43.401 42.059 -0.393 0.000 1.426 456 L HN 0.601 nan 8.230 nan 0.000 0.411 457 V N 0.980 121.176 119.914 0.468 0.000 2.581 457 V HA 0.883 5.003 4.120 0.000 0.000 0.303 457 V C -0.140 176.179 176.094 0.375 0.000 1.041 457 V CA -0.418 62.182 62.300 0.501 0.000 0.907 457 V CB 1.615 33.854 31.823 0.693 0.000 0.994 457 V HN 1.035 nan 8.190 nan 0.000 0.442 458 R N 1.987 122.689 120.500 0.336 0.000 2.795 458 R HA 0.660 5.001 4.340 0.000 0.000 0.268 458 R C -1.118 175.411 176.300 0.382 0.000 1.041 458 R CA -1.049 55.165 56.100 0.190 0.000 0.927 458 R CB 1.850 32.193 30.300 0.072 0.000 1.235 458 R HN 0.542 nan 8.270 nan 0.000 0.463 459 E N 0.937 121.281 120.200 0.240 0.000 2.354 459 E HA 0.105 4.455 4.350 0.000 0.000 0.269 459 E C -0.580 176.018 176.600 -0.004 0.000 1.036 459 E CA -0.339 56.101 56.400 0.066 0.000 0.876 459 E CB 1.416 31.116 29.700 0.000 0.000 1.009 459 E HN 0.436 nan 8.360 nan 0.000 0.416 460 S N 1.908 117.557 115.700 -0.085 0.000 2.565 460 S HA 0.007 4.477 4.470 0.000 0.000 0.276 460 S C 0.801 175.365 174.600 -0.060 0.000 1.326 460 S CA -0.156 58.017 58.200 -0.045 0.000 1.045 460 S CB 1.003 64.181 63.200 -0.037 0.000 0.918 460 S HN 0.514 nan 8.310 nan 0.000 0.505 461 Q N 3.106 122.877 119.800 -0.048 0.000 2.036 461 Q HA 0.042 4.382 4.340 0.000 0.000 0.195 461 Q C 2.249 178.224 176.000 -0.042 0.000 0.971 461 Q CA 0.905 56.680 55.803 -0.046 0.000 0.826 461 Q CB -0.114 28.594 28.738 -0.050 0.000 0.896 461 Q HN 0.715 nan 8.270 nan 0.000 0.449 462 R N 0.699 121.175 120.500 -0.041 0.000 2.127 462 R HA -0.032 4.309 4.340 0.000 0.000 0.238 462 R C 0.183 176.467 176.300 -0.027 0.000 1.134 462 R CA 0.849 56.930 56.100 -0.032 0.000 0.975 462 R CB -0.002 30.280 30.300 -0.029 0.000 0.865 462 R HN 0.256 nan 8.270 nan 0.000 0.447 463 N N 0.172 118.853 118.700 -0.032 0.000 2.690 463 N HA 0.147 4.887 4.740 0.000 0.000 0.255 463 N C -2.501 172.969 175.510 -0.066 0.000 1.195 463 N CA -1.167 51.863 53.050 -0.034 0.000 0.790 463 N CB 1.906 40.384 38.487 -0.014 0.000 1.216 463 N HN -0.107 nan 8.380 nan 0.000 0.528 464 P HA -0.050 nan 4.420 nan 0.000 0.230 464 P C 1.180 178.397 177.300 -0.137 0.000 1.158 464 P CA 0.957 63.998 63.100 -0.099 0.000 0.769 464 P CB 0.476 32.141 31.700 -0.059 0.000 0.807 465 Q N -0.754 118.985 119.800 -0.102 0.000 2.435 465 Q HA 0.140 4.480 4.340 0.000 0.000 0.207 465 Q C 1.252 177.165 176.000 -0.145 0.000 0.956 465 Q CA 0.599 56.349 55.803 -0.089 0.000 0.917 465 Q CB -0.251 28.470 28.738 -0.028 0.000 0.997 465 Q HN 0.210 nan 8.270 nan 0.000 0.497 466 G N -0.857 107.821 108.800 -0.202 0.000 2.820 466 G HA2 0.606 4.566 3.960 0.000 0.000 0.291 466 G HA3 0.606 4.566 3.960 0.000 0.000 0.291 466 G C -1.025 173.555 174.900 -0.533 0.000 1.323 466 G CA -0.499 44.502 45.100 -0.164 0.000 1.055 466 G HN 0.014 nan 8.290 nan 0.000 0.520 467 F N -1.906 118.155 119.950 0.184 0.000 2.631 467 F HA 0.678 5.205 4.527 0.000 0.000 0.328 467 F C -0.104 175.796 175.800 0.168 0.000 1.067 467 F CA -0.892 57.220 58.000 0.186 0.000 0.969 467 F CB 2.579 41.699 39.000 0.199 0.000 1.332 467 F HN 0.230 nan 8.300 nan 0.000 0.490 468 V N 2.339 122.468 119.914 0.358 0.000 2.577 468 V HA 0.361 4.482 4.120 0.000 0.000 0.303 468 V C -1.201 175.069 176.094 0.294 0.000 1.042 468 V CA -0.735 61.730 62.300 0.276 0.000 0.872 468 V CB 2.040 33.984 31.823 0.203 0.000 0.998 468 V HN 0.549 nan 8.190 nan 0.000 0.423 469 L N 4.891 126.279 121.223 0.275 0.000 2.278 469 L HA 0.572 4.912 4.340 0.000 0.000 0.287 469 L C 0.220 177.267 176.870 0.294 0.000 1.072 469 L CA 0.850 55.836 54.840 0.242 0.000 0.819 469 L CB 1.149 43.269 42.059 0.103 0.000 1.176 469 L HN 0.657 nan 8.230 nan 0.000 0.435 470 S N 6.228 122.077 115.700 0.248 0.000 2.442 470 S HA 0.716 5.187 4.470 0.000 0.000 0.297 470 S C -0.862 173.818 174.600 0.133 0.000 1.131 470 S CA -0.452 57.837 58.200 0.149 0.000 1.092 470 S CB 1.236 64.552 63.200 0.193 0.000 0.998 470 S HN 0.584 nan 8.310 nan 0.000 0.478 471 L N 3.411 124.681 121.223 0.077 0.000 2.438 471 L HA 0.585 4.925 4.340 0.000 0.000 0.270 471 L C -0.938 175.990 176.870 0.096 0.000 0.972 471 L CA -0.468 54.455 54.840 0.138 0.000 0.831 471 L CB 1.413 43.562 42.059 0.150 0.000 1.273 471 L HN 0.759 nan 8.230 nan 0.000 0.405 472 C N 4.533 123.905 119.300 0.120 0.000 2.394 472 C HA 0.690 5.151 4.460 0.000 0.000 0.362 472 C C -0.527 174.573 174.990 0.183 0.000 1.268 472 C CA 0.021 59.107 59.018 0.112 0.000 1.828 472 C CB -1.067 26.730 27.740 0.095 0.000 2.442 472 C HN 0.911 nan 8.230 nan 0.000 0.549 473 H N 3.963 123.057 119.070 0.040 0.000 2.865 473 H HA 0.410 4.966 4.556 0.000 0.000 0.362 473 H C 0.180 175.525 175.328 0.028 0.000 1.114 473 H CA -0.778 55.293 56.048 0.037 0.000 1.208 473 H CB 0.808 30.593 29.762 0.038 0.000 1.727 473 H HN 0.761 nan 8.280 nan 0.000 0.534 474 L N 5.104 126.042 121.223 -0.475 0.000 3.739 474 L HA -0.359 3.981 4.340 0.000 0.000 0.442 474 L C 0.019 176.806 176.870 -0.138 0.000 1.241 474 L CA 1.218 55.843 54.840 -0.359 0.000 0.819 474 L CB -1.257 40.537 42.059 -0.443 0.000 1.679 474 L HN 0.930 nan 8.230 nan 0.000 0.889 475 Q N -3.515 116.243 119.800 -0.070 0.000 2.450 475 Q HA -0.239 4.101 4.340 0.000 0.000 0.255 475 Q C 0.033 176.024 176.000 -0.016 0.000 1.003 475 Q CA 1.501 57.288 55.803 -0.027 0.000 1.097 475 Q CB -0.866 27.855 28.738 -0.028 0.000 1.544 475 Q HN 0.519 nan 8.270 nan 0.000 0.531 476 K N 0.108 120.502 120.400 -0.010 0.000 2.203 476 K HA 0.653 4.974 4.320 0.000 0.000 0.251 476 K C -0.385 176.218 176.600 0.006 0.000 0.944 476 K CA -0.764 55.524 56.287 0.002 0.000 0.829 476 K CB 2.049 34.551 32.500 0.004 0.000 1.125 476 K HN -0.036 nan 8.250 nan 0.000 0.430 477 V N 2.763 122.663 119.914 -0.022 0.000 2.398 477 V HA 0.438 4.558 4.120 0.000 0.000 0.286 477 V C -0.333 175.631 176.094 -0.217 0.000 1.026 477 V CA -0.765 61.480 62.300 -0.090 0.000 0.868 477 V CB 1.223 33.001 31.823 -0.075 0.000 0.982 477 V HN 0.544 nan 8.190 nan 0.000 0.443 478 K N 3.559 123.787 120.400 -0.287 0.000 2.318 478 K HA 0.645 4.965 4.320 0.000 0.000 0.249 478 K C -1.219 174.998 176.600 -0.638 0.000 0.942 478 K CA -0.930 55.128 56.287 -0.382 0.000 0.808 478 K CB 2.034 34.437 32.500 -0.161 0.000 1.189 478 K HN 0.697 nan 8.250 nan 0.000 0.428 479 H N 1.653 120.540 119.070 -0.306 0.000 2.529 479 H HA 0.268 4.825 4.556 0.000 0.000 0.348 479 H C -1.155 173.903 175.328 -0.451 0.000 1.079 479 H CA -0.530 55.392 56.048 -0.211 0.000 1.198 479 H CB 1.070 30.776 29.762 -0.093 0.000 1.521 479 H HN 0.487 nan 8.280 nan 0.000 0.514 480 Y N 2.034 122.409 120.300 0.126 0.000 2.326 480 Y HA 0.148 4.699 4.550 0.000 0.000 0.331 480 Y C 0.037 176.002 175.900 0.109 0.000 0.962 480 Y CA -0.864 57.285 58.100 0.082 0.000 1.167 480 Y CB 1.463 39.933 38.460 0.017 0.000 1.148 480 Y HN 0.423 nan 8.280 nan 0.000 0.463 481 L N 5.264 126.607 121.223 0.200 0.000 2.367 481 L HA 0.432 4.772 4.340 0.000 0.000 0.275 481 L C -0.766 176.235 176.870 0.219 0.000 1.129 481 L CA 0.087 55.036 54.840 0.181 0.000 0.839 481 L CB 0.055 42.185 42.059 0.119 0.000 1.133 481 L HN 0.521 nan 8.230 nan 0.000 0.453 482 I N 6.610 127.338 120.570 0.265 0.000 2.355 482 I HA 0.333 4.503 4.170 0.000 0.000 0.288 482 I C -0.664 175.675 176.117 0.369 0.000 0.999 482 I CA -0.313 61.185 61.300 0.330 0.000 1.163 482 I CB 1.052 39.276 38.000 0.373 0.000 1.316 482 I HN 0.467 nan 8.210 nan 0.000 0.454 483 L N 8.282 129.687 121.223 0.303 0.000 2.346 483 L HA 0.601 4.941 4.340 0.000 0.000 0.274 483 L C -2.363 174.586 176.870 0.132 0.000 1.007 483 L CA -1.912 53.054 54.840 0.211 0.000 0.818 483 L CB 2.083 44.205 42.059 0.105 0.000 1.284 483 L HN 0.306 nan 8.230 nan 0.000 0.424 484 P HA 0.322 nan 4.420 nan 0.000 0.284 484 P C -1.060 175.982 177.300 -0.430 0.000 1.253 484 P CA -0.290 62.552 63.100 -0.430 0.000 0.800 484 P CB 1.895 33.386 31.700 -0.349 0.000 0.961 485 S N 0.615 115.860 115.700 -0.759 0.000 2.806 485 S HA 0.614 5.084 4.470 0.000 0.000 0.306 485 S C -0.991 173.127 174.600 -0.803 0.000 1.167 485 S CA -0.501 57.270 58.200 -0.715 0.000 0.847 485 S CB 1.632 64.391 63.200 -0.734 0.000 1.216 485 S HN 0.485 nan 8.310 nan 0.000 0.532 486 E N 0.512 120.440 120.200 -0.454 0.000 2.314 486 E HA 0.609 4.959 4.350 0.000 0.000 0.272 486 E C -1.636 174.979 176.600 0.026 0.000 0.884 486 E CA -0.419 55.859 56.400 -0.203 0.000 0.753 486 E CB 1.825 31.448 29.700 -0.129 0.000 1.213 486 E HN 0.551 nan 8.360 nan 0.000 0.432 487 E N 2.560 122.842 120.200 0.137 0.000 2.321 487 E HA 0.203 4.554 4.350 0.000 0.000 0.278 487 E C -1.062 175.582 176.600 0.073 0.000 0.902 487 E CA -0.404 56.078 56.400 0.137 0.000 0.758 487 E CB 0.948 30.771 29.700 0.205 0.000 1.213 487 E HN 0.613 nan 8.360 nan 0.000 0.426 488 E N 2.473 122.696 120.200 0.038 0.000 2.202 488 E HA -0.329 4.021 4.350 0.000 0.000 0.214 488 E C 0.538 177.150 176.600 0.020 0.000 1.303 488 E CA 0.712 57.124 56.400 0.021 0.000 0.714 488 E CB -1.565 28.143 29.700 0.013 0.000 1.130 488 E HN 1.026 nan 8.360 nan 0.000 0.356 489 G N -0.118 108.693 108.800 0.018 0.000 2.179 489 G HA2 -0.365 3.595 3.960 0.000 0.000 0.260 489 G HA3 -0.365 3.595 3.960 0.000 0.000 0.260 489 G C 0.240 175.150 174.900 0.016 0.000 0.977 489 G CA 0.556 45.663 45.100 0.012 0.000 0.641 489 G HN 0.299 nan 8.290 nan 0.000 0.533 490 R N -0.701 119.818 120.500 0.031 0.000 2.599 490 R HA 0.756 5.097 4.340 0.000 0.000 0.295 490 R C -0.161 176.162 176.300 0.038 0.000 0.963 490 R CA -0.766 55.359 56.100 0.042 0.000 0.883 490 R CB 1.229 31.565 30.300 0.059 0.000 1.171 490 R HN 0.220 nan 8.270 nan 0.000 0.450 491 L N 4.649 125.869 121.223 -0.005 0.000 2.371 491 L HA 0.416 4.756 4.340 0.000 0.000 0.272 491 L C -1.080 175.754 176.870 -0.060 0.000 1.124 491 L CA 0.068 54.830 54.840 -0.129 0.000 0.816 491 L CB 0.398 42.361 42.059 -0.160 0.000 1.129 491 L HN 0.686 nan 8.230 nan 0.000 0.448 492 Y N 1.734 121.887 120.300 -0.245 0.000 2.638 492 Y HA 0.757 5.307 4.550 0.000 0.000 0.339 492 Y C -1.604 174.047 175.900 -0.415 0.000 1.084 492 Y CA -1.751 56.242 58.100 -0.178 0.000 1.068 492 Y CB 0.900 39.320 38.460 -0.067 0.000 1.294 492 Y HN 0.322 nan 8.280 nan 0.000 0.480 493 F N 0.746 120.869 119.950 0.288 0.000 2.546 493 F HA 0.732 5.259 4.527 0.000 0.000 0.320 493 F C 0.015 176.027 175.800 0.354 0.000 1.076 493 F CA -0.800 57.346 58.000 0.243 0.000 0.928 493 F CB 2.416 41.541 39.000 0.208 0.000 1.189 493 F HN 0.611 nan 8.300 nan 0.000 0.465 494 S N 2.760 118.727 115.700 0.445 0.000 2.566 494 S HA 0.455 4.925 4.470 0.000 0.000 0.273 494 S C -0.057 174.714 174.600 0.285 0.000 1.157 494 S CA -0.759 57.653 58.200 0.353 0.000 0.938 494 S CB 1.040 64.414 63.200 0.290 0.000 1.087 494 S HN 0.727 nan 8.310 nan 0.000 0.474 495 M N 2.007 121.759 119.600 0.255 0.000 2.431 495 M HA 0.417 4.897 4.480 0.000 0.000 0.237 495 M C -0.233 176.170 176.300 0.172 0.000 1.130 495 M CA -0.018 55.405 55.300 0.205 0.000 1.002 495 M CB -0.380 32.328 32.600 0.180 0.000 1.524 495 M HN 0.411 nan 8.290 nan 0.000 0.482 496 D N -0.796 119.695 120.400 0.152 0.000 2.804 496 D HA 0.124 4.764 4.640 0.000 0.000 0.308 496 D C -0.718 175.638 176.300 0.093 0.000 1.371 496 D CA -0.379 53.691 54.000 0.116 0.000 0.823 496 D CB -0.362 40.498 40.800 0.100 0.000 1.126 496 D HN 0.185 nan 8.370 nan 0.000 0.467 497 D N 0.188 120.651 120.400 0.105 0.000 2.837 497 D HA -0.149 4.491 4.640 0.000 0.000 0.230 497 D C 1.288 177.643 176.300 0.092 0.000 1.152 497 D CA 1.471 55.525 54.000 0.090 0.000 0.736 497 D CB -1.524 39.316 40.800 0.066 0.000 1.084 497 D HN 0.741 nan 8.370 nan 0.000 0.429 498 G N -0.220 108.650 108.800 0.117 0.000 2.176 498 G HA2 -0.414 3.547 3.960 0.000 0.000 0.232 498 G HA3 -0.414 3.547 3.960 0.000 0.000 0.232 498 G C 0.720 175.605 174.900 -0.026 0.000 0.986 498 G CA 0.878 46.041 45.100 0.106 0.000 0.643 498 G HN 0.518 nan 8.290 nan 0.000 0.522 499 Q N -0.074 119.716 119.800 -0.017 0.000 2.079 499 Q HA 0.090 4.430 4.340 0.000 0.000 0.200 499 Q C 0.612 176.533 176.000 -0.130 0.000 0.974 499 Q CA 1.797 57.566 55.803 -0.057 0.000 0.840 499 Q CB 0.122 28.851 28.738 -0.014 0.000 0.898 499 Q HN 0.513 nan 8.270 nan 0.000 0.430 500 T N 1.150 115.625 114.554 -0.132 0.000 2.812 500 T HA 0.566 4.916 4.350 0.000 0.000 0.282 500 T C -1.055 173.411 174.700 -0.389 0.000 0.990 500 T CA -0.676 61.247 62.100 -0.296 0.000 0.960 500 T CB 1.625 70.376 68.868 -0.196 0.000 0.948 500 T HN 0.103 nan 8.240 nan 0.000 0.438 501 R N 1.831 121.907 120.500 -0.706 0.000 2.599 501 R HA 0.728 5.068 4.340 0.000 0.000 0.295 501 R C -1.396 174.391 176.300 -0.855 0.000 0.963 501 R CA -0.728 55.029 56.100 -0.571 0.000 0.883 501 R CB 1.658 31.568 30.300 -0.650 0.000 1.171 501 R HN 0.459 nan 8.270 nan 0.000 0.450 502 F N -0.757 119.264 119.950 0.119 0.000 2.588 502 F HA 0.255 4.782 4.527 0.000 0.000 0.314 502 F C 1.525 177.483 175.800 0.263 0.000 1.069 502 F CA -0.871 57.206 58.000 0.129 0.000 0.931 502 F CB 2.164 41.228 39.000 0.107 0.000 1.260 502 F HN 0.586 nan 8.300 nan 0.000 0.465 503 T N -3.070 111.711 114.554 0.379 0.000 3.014 503 T HA 0.143 4.493 4.350 0.000 0.000 0.263 503 T C -0.112 174.826 174.700 0.397 0.000 1.078 503 T CA 1.126 63.424 62.100 0.330 0.000 1.135 503 T CB -0.382 68.604 68.868 0.196 0.000 0.895 503 T HN 0.637 nan 8.240 nan 0.000 0.480 504 D N -0.798 119.768 120.400 0.276 0.000 2.692 504 D HA 0.276 4.917 4.640 0.000 0.000 0.303 504 D C 0.782 176.988 176.300 -0.157 0.000 1.278 504 D CA -0.956 53.047 54.000 0.005 0.000 0.852 504 D CB 0.456 41.247 40.800 -0.014 0.000 1.375 504 D HN 0.043 nan 8.370 nan 0.000 0.453 505 L N -0.346 120.650 121.223 -0.379 0.000 2.141 505 L HA -0.051 4.289 4.340 0.000 0.000 0.209 505 L C 2.274 179.033 176.870 -0.185 0.000 1.094 505 L CA 0.678 55.329 54.840 -0.315 0.000 0.763 505 L CB -0.459 41.419 42.059 -0.302 0.000 0.908 505 L HN 0.363 nan 8.230 nan 0.000 0.437 506 L N -0.129 121.101 121.223 0.013 0.000 2.012 506 L HA -0.261 4.079 4.340 0.000 0.000 0.210 506 L C 2.593 179.426 176.870 -0.060 0.000 1.073 506 L CA 1.815 56.711 54.840 0.093 0.000 0.748 506 L CB -0.708 41.457 42.059 0.177 0.000 0.891 506 L HN 0.271 nan 8.230 nan 0.000 0.431 507 Q N -0.716 119.063 119.800 -0.035 0.000 2.096 507 Q HA -0.257 4.083 4.340 0.000 0.000 0.204 507 Q C 2.401 178.206 176.000 -0.325 0.000 0.982 507 Q CA 2.284 58.079 55.803 -0.013 0.000 0.850 507 Q CB -0.286 28.559 28.738 0.179 0.000 0.901 507 Q HN 0.660 nan 8.270 nan 0.000 0.422 508 L N -0.138 120.705 121.223 -0.633 0.000 1.994 508 L HA -0.199 4.141 4.340 0.000 0.000 0.208 508 L C 2.252 178.766 176.870 -0.594 0.000 1.071 508 L CA 1.157 55.272 54.840 -1.208 0.000 0.745 508 L CB -0.259 41.351 42.059 -0.749 0.000 0.892 508 L HN 0.073 nan 8.230 nan 0.000 0.431 509 V N 0.154 119.752 119.914 -0.527 0.000 2.295 509 V HA -0.284 3.836 4.120 0.000 0.000 0.246 509 V C 2.420 178.295 176.094 -0.365 0.000 1.049 509 V CA 2.180 64.135 62.300 -0.575 0.000 1.024 509 V CB -0.632 30.592 31.823 -0.997 0.000 0.648 509 V HN 0.508 nan 8.190 nan 0.000 0.447 510 E N -0.533 119.527 120.200 -0.235 0.000 2.085 510 E HA -0.274 4.076 4.350 0.000 0.000 0.194 510 E C 2.049 178.579 176.600 -0.117 0.000 0.994 510 E CA 1.698 58.022 56.400 -0.127 0.000 0.801 510 E CB -0.286 29.394 29.700 -0.033 0.000 0.743 510 E HN 0.643 nan 8.360 nan 0.000 0.453 511 F N 0.953 120.739 119.950 -0.273 0.000 2.171 511 F HA -0.167 4.360 4.527 0.000 0.000 0.300 511 F C 1.790 177.345 175.800 -0.407 0.000 1.090 511 F CA 1.677 59.508 58.000 -0.283 0.000 1.293 511 F CB -0.025 38.843 39.000 -0.220 0.000 1.013 511 F HN 0.015 nan 8.300 nan 0.000 0.486 512 H N -1.005 117.908 119.070 -0.261 0.000 2.548 512 H HA 0.100 4.657 4.556 0.000 0.000 0.265 512 H C 1.884 176.960 175.328 -0.419 0.000 0.969 512 H CA 0.515 56.347 56.048 -0.360 0.000 1.155 512 H CB -0.032 29.530 29.762 -0.333 0.000 1.394 512 H HN 0.388 nan 8.280 nan 0.000 0.570 513 Q N -0.123 119.488 119.800 -0.315 0.000 2.230 513 Q HA -0.006 4.334 4.340 0.000 0.000 0.202 513 Q C 1.271 177.115 176.000 -0.260 0.000 0.963 513 Q CA 0.884 56.520 55.803 -0.279 0.000 0.866 513 Q CB 0.387 28.999 28.738 -0.210 0.000 0.931 513 Q HN 0.506 nan 8.270 nan 0.000 0.452 514 L N -0.572 120.453 121.223 -0.330 0.000 2.642 514 L HA 0.184 4.524 4.340 0.000 0.000 0.233 514 L C -0.021 176.612 176.870 -0.395 0.000 1.077 514 L CA 0.001 54.650 54.840 -0.319 0.000 0.879 514 L CB 0.483 42.366 42.059 -0.293 0.000 1.151 514 L HN 0.085 nan 8.230 nan 0.000 0.495 515 N N -0.234 118.110 118.700 -0.592 0.000 2.249 515 N HA 0.297 5.037 4.740 0.000 0.000 0.296 515 N C 0.124 175.387 175.510 -0.411 0.000 1.051 515 N CA -0.506 52.180 53.050 -0.607 0.000 0.815 515 N CB 2.297 40.088 38.487 -1.161 0.000 1.487 515 N HN -0.071 nan 8.380 nan 0.000 0.475 516 R N 1.266 121.639 120.500 -0.211 0.000 2.075 516 R HA -0.028 4.313 4.340 0.000 0.000 0.232 516 R C 1.475 177.819 176.300 0.073 0.000 1.126 516 R CA 1.321 57.370 56.100 -0.086 0.000 0.963 516 R CB -0.371 29.872 30.300 -0.095 0.000 0.858 516 R HN 0.880 nan 8.270 nan 0.000 0.435 517 G N 1.681 110.532 108.800 0.084 0.000 2.665 517 G HA2 -0.394 3.566 3.960 0.000 0.000 0.326 517 G HA3 -0.394 3.566 3.960 0.000 0.000 0.326 517 G C 0.847 175.810 174.900 0.106 0.000 1.231 517 G CA 0.776 45.996 45.100 0.200 0.000 0.992 517 G HN 0.497 nan 8.290 nan 0.000 0.549 518 I N -0.133 120.497 120.570 0.101 0.000 3.428 518 I HA 0.455 4.625 4.170 0.000 0.000 0.286 518 I C 1.051 177.133 176.117 -0.060 0.000 1.287 518 I CA -0.038 61.279 61.300 0.028 0.000 1.396 518 I CB -0.266 37.764 38.000 0.050 0.000 1.062 518 I HN 0.239 nan 8.210 nan 0.000 0.471 519 L N 2.381 123.511 121.223 -0.155 0.000 2.418 519 L HA 0.322 4.662 4.340 0.000 0.000 0.265 519 L C -1.153 175.613 176.870 -0.173 0.000 1.143 519 L CA -1.590 53.080 54.840 -0.284 0.000 0.809 519 L CB 0.152 41.975 42.059 -0.392 0.000 1.124 519 L HN -0.077 nan 8.230 nan 0.000 0.456 520 P HA 0.004 nan 4.420 nan 0.000 0.245 520 P C -0.236 176.764 177.300 -0.500 0.000 1.212 520 P CA 0.273 63.217 63.100 -0.261 0.000 0.774 520 P CB 0.021 31.607 31.700 -0.190 0.000 0.999 521 C N -3.326 115.737 119.300 -0.396 0.000 3.259 521 C HA 0.532 4.992 4.460 0.000 0.000 0.344 521 C C -0.518 174.333 174.990 -0.232 0.000 1.401 521 C CA -1.520 57.297 59.018 -0.335 0.000 1.219 521 C CB 0.371 27.872 27.740 -0.397 0.000 1.521 521 C HN -0.025 nan 8.230 nan 0.000 0.455 522 L N 1.226 122.335 121.223 -0.190 0.000 2.453 522 L HA 0.414 4.754 4.340 0.000 0.000 0.261 522 L C 0.017 176.746 176.870 -0.235 0.000 1.179 522 L CA -0.441 54.274 54.840 -0.208 0.000 0.813 522 L CB 0.353 42.300 42.059 -0.188 0.000 1.110 522 L HN 0.592 nan 8.230 nan 0.000 0.466 523 L N 2.611 123.622 121.223 -0.353 0.000 2.342 523 L HA 0.240 4.580 4.340 0.000 0.000 0.285 523 L C 0.980 177.701 176.870 -0.247 0.000 1.095 523 L CA 0.091 54.610 54.840 -0.534 0.000 0.843 523 L CB 0.473 41.820 42.059 -1.187 0.000 1.201 523 L HN 0.652 nan 8.230 nan 0.000 0.445 524 R N 0.742 121.201 120.500 -0.069 0.000 2.191 524 R HA 0.204 4.544 4.340 0.000 0.000 0.196 524 R C -0.100 175.989 176.300 -0.351 0.000 0.991 524 R CA 0.105 56.049 56.100 -0.260 0.000 1.075 524 R CB 0.635 30.683 30.300 -0.419 0.000 1.040 524 R HN 0.535 nan 8.270 nan 0.000 0.526 525 H N -0.838 118.404 119.070 0.287 0.000 2.823 525 H HA 0.140 4.696 4.556 0.000 0.000 0.332 525 H C -1.012 174.318 175.328 0.004 0.000 0.980 525 H CA -1.201 54.941 56.048 0.157 0.000 1.286 525 H CB 1.548 31.364 29.762 0.089 0.000 1.541 525 H HN 0.067 nan 8.280 nan 0.000 0.521 526 C N 3.845 123.143 119.300 -0.003 0.000 2.648 526 C HA 0.157 4.617 4.460 0.000 0.000 0.415 526 C C 1.191 176.085 174.990 -0.159 0.000 1.366 526 C CA -0.343 58.488 59.018 -0.312 0.000 1.756 526 C CB -1.243 26.463 27.740 -0.056 0.000 2.549 526 C HN 0.875 nan 8.230 nan 0.000 0.597 527 C N 7.422 126.582 119.300 -0.233 0.000 2.265 527 C HA 0.690 5.150 4.460 0.000 0.000 0.332 527 C C 0.462 175.501 174.990 0.082 0.000 1.248 527 C CA 0.190 59.166 59.018 -0.070 0.000 1.727 527 C CB -0.641 27.039 27.740 -0.100 0.000 2.348 527 C HN 1.037 nan 8.230 nan 0.000 0.519 528 T N 3.574 118.194 114.554 0.110 0.000 2.887 528 T HA 0.599 4.949 4.350 0.000 0.000 0.292 528 T C -0.124 174.613 174.700 0.062 0.000 1.087 528 T CA -0.693 61.490 62.100 0.138 0.000 1.009 528 T CB 1.002 69.874 68.868 0.007 0.000 1.203 528 T HN 0.786 nan 8.240 nan 0.000 0.518 529 R N 1.606 122.066 120.500 -0.066 0.000 2.997 529 R HA 0.651 4.991 4.340 0.000 0.000 0.358 529 R C -1.279 174.967 176.300 -0.090 0.000 1.191 529 R CA -0.530 55.534 56.100 -0.060 0.000 1.113 529 R CB -0.005 30.264 30.300 -0.052 0.000 1.433 529 R HN 0.233 nan 8.270 nan 0.000 0.584 530 V N 0.922 120.791 119.914 -0.075 0.000 2.604 530 V HA 0.663 4.783 4.120 0.000 0.000 0.305 530 V C -0.114 175.955 176.094 -0.041 0.000 1.043 530 V CA -0.945 61.315 62.300 -0.068 0.000 0.888 530 V CB 1.800 33.575 31.823 -0.081 0.000 0.995 530 V HN 0.558 nan 8.190 nan 0.000 0.429 531 A N 6.077 128.877 122.820 -0.034 0.000 2.276 531 A HA 0.796 5.116 4.320 0.000 0.000 0.300 531 A C -0.427 177.144 177.584 -0.020 0.000 1.235 531 A CA -0.298 51.726 52.037 -0.023 0.000 0.867 531 A CB 0.204 19.193 19.000 -0.020 0.000 1.137 531 A HN 0.788 nan 8.150 nan 0.000 0.527 532 L N 0.000 121.214 121.223 -0.015 0.000 2.949 532 L HA 0.000 4.340 4.340 0.000 0.000 0.249 532 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 532 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 532 L HN 0.000 nan 8.230 nan 0.000 0.502