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 2uzq_1_E DATA FIRST_RESID 374 DATA SEQUENCE GILELIGDYS KAFLLQTVDG KHQDLKYISP ETMVALLTGK FSNIVDKFVI DATA SEQUENCE VDCRYPYEYE GGHIKTAVNL PLERDAESFL LKSPIAPCSL DKRVILIFHC DATA SEQUENCE EFSSERGPRM CRFIRERDRA VNDYPSLYYP EMYILKGGYK EFFPQHPNFC DATA SEQUENCE EPQDYRPMNH EAFKDELKTF RL 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 374 G HA2 0.000 nan 3.960 nan 0.000 0.244 374 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 374 G C 0.000 174.957 174.900 0.095 0.000 0.946 374 G CA 0.000 45.139 45.100 0.066 0.000 0.502 375 I N 0.745 121.378 120.570 0.106 0.000 3.176 375 I HA 0.210 4.379 4.170 -0.001 0.000 0.275 375 I C 1.995 178.238 176.117 0.210 0.000 1.298 375 I CA 0.713 62.120 61.300 0.179 0.000 1.445 375 I CB -0.322 37.781 38.000 0.171 0.000 1.075 375 I HN 0.238 nan 8.210 nan 0.000 0.482 376 L N 0.924 122.241 121.223 0.156 0.000 2.141 376 L HA -0.052 4.287 4.340 -0.001 0.000 0.209 376 L C 1.986 178.970 176.870 0.191 0.000 1.094 376 L CA 0.935 55.867 54.840 0.153 0.000 0.763 376 L CB -0.513 41.608 42.059 0.104 0.000 0.908 376 L HN 0.270 nan 8.230 nan 0.000 0.437 377 E N 0.245 120.557 120.200 0.186 0.000 2.465 377 E HA 0.244 4.593 4.350 -0.001 0.000 0.191 377 E C 0.220 176.977 176.600 0.263 0.000 1.053 377 E CA 0.168 56.712 56.400 0.239 0.000 0.869 377 E CB 0.118 29.914 29.700 0.160 0.000 0.977 377 E HN 0.394 nan 8.360 nan 0.000 0.483 378 L N 1.476 122.808 121.223 0.183 0.000 2.334 378 L HA 0.457 4.797 4.340 -0.001 0.000 0.275 378 L C 0.921 177.624 176.870 -0.279 0.000 1.036 378 L CA -1.127 53.703 54.840 -0.017 0.000 0.807 378 L CB 1.199 43.305 42.059 0.077 0.000 1.231 378 L HN -0.044 nan 8.230 nan 0.000 0.438 379 I N -1.167 119.007 120.570 -0.660 0.000 3.211 379 I HA 0.293 4.462 4.170 -0.001 0.000 0.297 379 I C 1.562 177.294 176.117 -0.641 0.000 1.095 379 I CA -0.138 60.615 61.300 -0.911 0.000 1.239 379 I CB 0.355 37.843 38.000 -0.853 0.000 1.455 379 I HN 0.698 nan 8.210 nan 0.000 0.630 380 G N 1.843 110.333 108.800 -0.516 0.000 2.597 380 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.222 380 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.222 380 G C 0.810 175.294 174.900 -0.693 0.000 1.135 380 G CA 1.492 46.288 45.100 -0.507 0.000 0.759 380 G HN 0.977 nan 8.290 nan 0.000 0.595 381 D N -2.043 118.044 120.400 -0.521 0.000 2.342 381 D HA 0.124 4.764 4.640 -0.001 0.000 0.221 381 D C 0.444 176.606 176.300 -0.229 0.000 1.101 381 D CA -0.946 52.825 54.000 -0.382 0.000 0.837 381 D CB -0.538 40.113 40.800 -0.249 0.000 0.938 381 D HN 0.445 nan 8.370 nan 0.000 0.508 382 Y N -0.147 120.051 120.300 -0.171 0.000 4.469 382 Y HA -0.344 4.205 4.550 -0.001 0.000 0.220 382 Y C 1.952 177.788 175.900 -0.107 0.000 1.078 382 Y CA 0.667 58.695 58.100 -0.121 0.000 1.881 382 Y CB -2.708 35.697 38.460 -0.092 0.000 1.608 382 Y HN 0.318 nan 8.280 nan 0.000 0.634 383 S N -0.540 115.124 115.700 -0.060 0.000 2.425 383 S HA 0.087 4.557 4.470 -0.001 0.000 0.225 383 S C 0.686 175.254 174.600 -0.053 0.000 1.024 383 S CA 0.894 59.064 58.200 -0.050 0.000 0.951 383 S CB 0.400 63.552 63.200 -0.080 0.000 0.796 383 S HN 0.591 nan 8.310 nan 0.000 0.498 384 K N -0.712 119.631 120.400 -0.095 0.000 2.617 384 K HA 0.714 5.034 4.320 -0.001 0.000 0.293 384 K C -1.100 175.425 176.600 -0.126 0.000 1.034 384 K CA -0.778 55.461 56.287 -0.080 0.000 0.884 384 K CB 0.935 33.393 32.500 -0.070 0.000 1.541 384 K HN 0.063 nan 8.250 nan 0.000 0.409 385 A N 0.776 123.559 122.820 -0.061 0.000 2.346 385 A HA 0.515 4.834 4.320 -0.001 0.000 0.252 385 A C -0.685 176.857 177.584 -0.071 0.000 1.089 385 A CA -0.431 51.591 52.037 -0.025 0.000 0.797 385 A CB -0.311 18.726 19.000 0.063 0.000 1.047 385 A HN 0.448 nan 8.150 nan 0.000 0.494 386 F N 0.485 120.445 119.950 0.016 0.000 2.529 386 F HA 0.122 4.648 4.527 -0.001 0.000 0.365 386 F C 1.345 177.189 175.800 0.073 0.000 1.102 386 F CA 0.215 58.243 58.000 0.047 0.000 1.271 386 F CB 0.722 39.765 39.000 0.071 0.000 1.120 386 F HN 0.550 nan 8.300 nan 0.000 0.579 387 L N 4.321 125.675 121.223 0.218 0.000 2.044 387 L HA 0.052 4.392 4.340 -0.001 0.000 0.205 387 L C 0.458 177.320 176.870 -0.014 0.000 1.075 387 L CA 1.603 56.484 54.840 0.067 0.000 0.747 387 L CB -0.352 41.689 42.059 -0.030 0.000 0.903 387 L HN 0.363 nan 8.230 nan 0.000 0.435 388 L N 0.581 121.779 121.223 -0.042 0.000 2.395 388 L HA 0.187 4.526 4.340 -0.001 0.000 0.269 388 L C 0.455 177.295 176.870 -0.050 0.000 1.133 388 L CA -0.307 54.383 54.840 -0.250 0.000 0.812 388 L CB 0.278 41.952 42.059 -0.640 0.000 1.125 388 L HN 0.189 nan 8.230 nan 0.000 0.452 389 Q N 1.206 120.979 119.800 -0.045 0.000 2.364 389 Q HA 0.188 4.528 4.340 -0.001 0.000 0.267 389 Q C -0.062 175.936 176.000 -0.005 0.000 0.999 389 Q CA 0.047 55.858 55.803 0.014 0.000 0.886 389 Q CB 1.204 29.960 28.738 0.030 0.000 1.243 389 Q HN 0.741 nan 8.270 nan 0.000 0.415 390 T N -1.936 112.637 114.554 0.032 0.000 2.927 390 T HA 0.766 5.116 4.350 -0.001 0.000 0.286 390 T C -0.172 174.553 174.700 0.042 0.000 1.040 390 T CA -0.843 61.286 62.100 0.047 0.000 1.010 390 T CB 1.394 70.299 68.868 0.063 0.000 1.177 390 T HN 0.451 nan 8.240 nan 0.000 0.546 391 V N -2.155 117.796 119.914 0.062 0.000 3.102 391 V HA 0.642 4.762 4.120 -0.001 0.000 0.312 391 V C -1.258 174.829 176.094 -0.012 0.000 1.135 391 V CA -1.331 60.983 62.300 0.024 0.000 1.022 391 V CB 1.658 33.494 31.823 0.022 0.000 1.056 391 V HN 0.856 nan 8.190 nan 0.000 0.436 392 D N 1.748 122.106 120.400 -0.069 0.000 2.458 392 D HA 0.540 5.179 4.640 -0.001 0.000 0.243 392 D C 0.358 176.448 176.300 -0.350 0.000 1.146 392 D CA 1.242 55.154 54.000 -0.146 0.000 0.877 392 D CB 1.263 41.995 40.800 -0.113 0.000 1.176 392 D HN 1.125 nan 8.370 nan 0.000 0.461 393 G N 0.730 109.171 108.800 -0.597 0.000 2.658 393 G HA2 0.270 4.230 3.960 -0.001 0.000 0.292 393 G HA3 0.270 4.230 3.960 -0.001 0.000 0.292 393 G C 0.667 175.144 174.900 -0.705 0.000 1.320 393 G CA -0.651 43.627 45.100 -1.370 0.000 0.933 393 G HN 0.348 nan 8.290 nan 0.000 0.476 394 K N -0.651 119.412 120.400 -0.562 0.000 1.978 394 K HA -0.090 4.229 4.320 -0.001 0.000 0.214 394 K C 0.272 176.731 176.600 -0.236 0.000 1.049 394 K CA 0.822 56.911 56.287 -0.330 0.000 0.939 394 K CB -0.284 31.987 32.500 -0.383 0.000 0.721 394 K HN 0.542 nan 8.250 nan 0.000 0.441 395 H N 1.739 120.918 119.070 0.182 0.000 2.878 395 H HA 0.009 4.565 4.556 -0.001 0.000 0.290 395 H C 0.853 176.288 175.328 0.177 0.000 1.065 395 H CA -0.108 56.048 56.048 0.179 0.000 1.477 395 H CB 1.522 31.398 29.762 0.191 0.000 1.484 395 H HN 0.337 nan 8.280 nan 0.000 0.504 396 Q N 1.976 121.881 119.800 0.174 0.000 2.291 396 Q HA -0.103 4.236 4.340 -0.001 0.000 0.205 396 Q C 1.178 177.248 176.000 0.116 0.000 0.970 396 Q CA 0.892 56.765 55.803 0.117 0.000 0.876 396 Q CB 0.047 28.826 28.738 0.068 0.000 0.935 396 Q HN 0.750 nan 8.270 nan 0.000 0.455 397 D N -0.742 119.734 120.400 0.127 0.000 2.355 397 D HA -0.033 4.606 4.640 -0.001 0.000 0.218 397 D C 0.524 176.853 176.300 0.049 0.000 1.004 397 D CA 0.143 54.191 54.000 0.080 0.000 0.880 397 D CB 0.213 41.051 40.800 0.065 0.000 0.911 397 D HN 0.173 nan 8.370 nan 0.000 0.528 398 L N -0.010 121.264 121.223 0.085 0.000 2.333 398 L HA 0.412 4.752 4.340 -0.001 0.000 0.269 398 L C 0.244 177.110 176.870 -0.007 0.000 1.010 398 L CA -1.152 53.679 54.840 -0.016 0.000 0.818 398 L CB 1.897 43.905 42.059 -0.085 0.000 1.306 398 L HN -0.342 nan 8.230 nan 0.000 0.430 399 K N 1.422 121.709 120.400 -0.188 0.000 2.159 399 K HA 0.483 4.803 4.320 -0.001 0.000 0.266 399 K C -1.272 175.335 176.600 0.011 0.000 0.975 399 K CA -0.446 55.751 56.287 -0.149 0.000 0.865 399 K CB 1.582 33.717 32.500 -0.607 0.000 1.087 399 K HN 0.257 nan 8.250 nan 0.000 0.446 400 Y N 1.853 122.187 120.300 0.057 0.000 2.468 400 Y HA 0.502 5.051 4.550 -0.001 0.000 0.342 400 Y C 0.648 176.584 175.900 0.061 0.000 1.021 400 Y CA -1.109 57.045 58.100 0.091 0.000 1.079 400 Y CB 1.345 39.839 38.460 0.057 0.000 1.226 400 Y HN 0.421 nan 8.280 nan 0.000 0.460 401 I N -0.792 119.875 120.570 0.162 0.000 2.740 401 I HA 0.815 4.985 4.170 -0.001 0.000 0.303 401 I C -0.263 175.887 176.117 0.055 0.000 1.044 401 I CA -1.055 60.256 61.300 0.018 0.000 1.064 401 I CB 2.262 40.154 38.000 -0.180 0.000 1.249 401 I HN 0.535 nan 8.210 nan 0.000 0.433 402 S N 2.313 118.030 115.700 0.027 0.000 2.669 402 S HA 0.505 4.974 4.470 -0.001 0.000 0.270 402 S C -2.023 172.615 174.600 0.063 0.000 1.225 402 S CA -1.085 57.147 58.200 0.054 0.000 0.991 402 S CB 1.103 64.327 63.200 0.040 0.000 0.987 402 S HN 0.581 nan 8.310 nan 0.000 0.552 403 P HA -0.088 nan 4.420 nan 0.000 0.217 403 P C 1.429 178.787 177.300 0.096 0.000 1.150 403 P CA 1.171 64.421 63.100 0.250 0.000 0.832 403 P CB 0.050 31.909 31.700 0.266 0.000 0.787 404 E N -0.851 119.384 120.200 0.057 0.000 2.077 404 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 404 E C 1.483 178.036 176.600 -0.077 0.000 0.989 404 E CA 1.666 58.053 56.400 -0.022 0.000 0.800 404 E CB -0.419 29.294 29.700 0.021 0.000 0.746 404 E HN 0.109 nan 8.360 nan 0.000 0.452 405 T N 0.772 115.301 114.554 -0.042 0.000 2.821 405 T HA -0.166 4.183 4.350 -0.001 0.000 0.267 405 T C 1.649 176.287 174.700 -0.103 0.000 1.046 405 T CA 1.385 63.458 62.100 -0.045 0.000 1.139 405 T CB -0.196 68.626 68.868 -0.077 0.000 0.871 405 T HN 0.183 nan 8.240 nan 0.000 0.454 406 M N 1.069 120.591 119.600 -0.129 0.000 2.159 406 M HA -0.016 4.463 4.480 -0.001 0.000 0.263 406 M C 2.003 178.146 176.300 -0.261 0.000 1.063 406 M CA 1.318 56.497 55.300 -0.201 0.000 1.110 406 M CB -0.501 31.997 32.600 -0.170 0.000 1.374 406 M HN 0.037 nan 8.290 nan 0.000 0.411 407 V N 0.274 120.003 119.914 -0.309 0.000 2.379 407 V HA -0.177 3.942 4.120 -0.001 0.000 0.245 407 V C 2.560 178.420 176.094 -0.389 0.000 1.044 407 V CA 1.632 63.586 62.300 -0.577 0.000 1.036 407 V CB -1.514 29.818 31.823 -0.820 0.000 0.664 407 V HN 0.626 nan 8.190 nan 0.000 0.453 408 A N -0.126 122.557 122.820 -0.229 0.000 1.908 408 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 408 A C 2.161 179.675 177.584 -0.118 0.000 1.181 408 A CA 2.176 54.113 52.037 -0.166 0.000 0.627 408 A CB -0.568 18.377 19.000 -0.090 0.000 0.818 408 A HN 0.448 nan 8.150 nan 0.000 0.445 409 L N -0.401 120.799 121.223 -0.039 0.000 2.056 409 L HA -0.035 4.305 4.340 -0.001 0.000 0.207 409 L C 2.238 178.970 176.870 -0.230 0.000 1.078 409 L CA 1.576 56.363 54.840 -0.089 0.000 0.749 409 L CB -0.478 41.352 42.059 -0.382 0.000 0.901 409 L HN 0.390 nan 8.230 nan 0.000 0.433 410 L N -0.747 120.331 121.223 -0.242 0.000 2.201 410 L HA -0.144 4.195 4.340 -0.001 0.000 0.212 410 L C 1.833 178.765 176.870 0.103 0.000 1.105 410 L CA 1.527 56.353 54.840 -0.023 0.000 0.775 410 L CB -0.811 41.203 42.059 -0.074 0.000 0.913 410 L HN 0.496 nan 8.230 nan 0.000 0.440 411 T N -3.815 110.739 114.554 0.000 0.000 3.188 411 T HA 0.294 4.643 4.350 -0.001 0.000 0.250 411 T C 1.312 176.035 174.700 0.037 0.000 1.077 411 T CA 0.295 62.435 62.100 0.066 0.000 0.967 411 T CB 0.425 69.313 68.868 0.034 0.000 1.006 411 T HN 0.436 nan 8.240 nan 0.000 0.552 412 G N 2.242 111.072 108.800 0.050 0.000 2.148 412 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.254 412 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.254 412 G C 0.939 175.803 174.900 -0.061 0.000 0.981 412 G CA 0.199 45.328 45.100 0.049 0.000 0.670 412 G HN 0.473 nan 8.290 nan 0.000 0.528 413 K N -0.569 119.697 120.400 -0.222 0.000 2.442 413 K HA 0.070 4.389 4.320 -0.001 0.000 0.198 413 K C 0.973 177.177 176.600 -0.661 0.000 1.044 413 K CA 0.891 56.888 56.287 -0.484 0.000 0.948 413 K CB -0.202 31.864 32.500 -0.723 0.000 0.762 413 K HN 0.568 nan 8.250 nan 0.000 0.472 414 F N -0.017 119.930 119.950 -0.004 0.000 2.791 414 F HA 0.104 4.630 4.527 -0.001 0.000 0.316 414 F C 1.606 177.434 175.800 0.047 0.000 1.134 414 F CA -0.410 57.596 58.000 0.011 0.000 1.222 414 F CB -0.020 38.975 39.000 -0.009 0.000 1.034 414 F HN -0.125 nan 8.300 nan 0.000 0.516 415 S N 0.264 116.052 115.700 0.146 0.000 2.400 415 S HA -0.236 4.233 4.470 -0.001 0.000 0.232 415 S C 1.817 176.484 174.600 0.113 0.000 1.025 415 S CA 1.605 59.886 58.200 0.136 0.000 0.993 415 S CB -0.588 62.666 63.200 0.090 0.000 0.808 415 S HN 0.550 nan 8.310 nan 0.000 0.478 416 N N 1.836 120.593 118.700 0.095 0.000 2.354 416 N HA 0.051 4.790 4.740 -0.001 0.000 0.179 416 N C 1.665 177.229 175.510 0.090 0.000 1.021 416 N CA 1.117 54.213 53.050 0.077 0.000 0.887 416 N CB -0.331 38.190 38.487 0.058 0.000 0.974 416 N HN 0.522 nan 8.380 nan 0.000 0.437 417 I N 0.470 121.116 120.570 0.127 0.000 2.947 417 I HA 0.059 4.228 4.170 -0.001 0.000 0.263 417 I C 0.240 176.427 176.117 0.117 0.000 1.130 417 I CA 0.176 61.546 61.300 0.117 0.000 1.448 417 I CB 0.306 38.388 38.000 0.137 0.000 1.222 417 I HN -0.202 nan 8.210 nan 0.000 0.453 418 V N 2.535 122.546 119.914 0.160 0.000 2.408 418 V HA -0.007 4.113 4.120 -0.001 0.000 0.267 418 V C 0.657 176.850 176.094 0.164 0.000 1.047 418 V CA 0.239 62.637 62.300 0.164 0.000 0.937 418 V CB 1.140 33.087 31.823 0.208 0.000 0.999 418 V HN 0.238 nan 8.190 nan 0.000 0.472 419 D N 4.081 124.555 120.400 0.122 0.000 2.137 419 D HA 0.028 4.667 4.640 -0.001 0.000 0.202 419 D C 0.650 177.000 176.300 0.082 0.000 0.970 419 D CA 1.370 55.424 54.000 0.091 0.000 0.837 419 D CB 0.398 41.235 40.800 0.061 0.000 0.981 419 D HN 0.572 nan 8.370 nan 0.000 0.475 420 K N -1.160 119.301 120.400 0.101 0.000 2.546 420 K HA 0.390 4.709 4.320 -0.001 0.000 0.264 420 K C -1.459 175.225 176.600 0.140 0.000 0.937 420 K CA -0.871 55.436 56.287 0.034 0.000 0.833 420 K CB 2.443 34.943 32.500 0.001 0.000 1.378 420 K HN 0.048 nan 8.250 nan 0.000 0.432 421 F N -1.402 118.579 119.950 0.051 0.000 2.591 421 F HA 0.726 5.252 4.527 -0.001 0.000 0.309 421 F C -1.320 174.484 175.800 0.007 0.000 1.098 421 F CA -1.170 56.848 58.000 0.031 0.000 0.937 421 F CB 1.186 40.200 39.000 0.023 0.000 1.250 421 F HN 0.076 nan 8.300 nan 0.000 0.447 422 V N 4.117 124.125 119.914 0.157 0.000 2.540 422 V HA 0.468 4.587 4.120 -0.001 0.000 0.302 422 V C -0.238 175.858 176.094 0.003 0.000 1.035 422 V CA -0.783 61.534 62.300 0.028 0.000 0.873 422 V CB 1.960 33.753 31.823 -0.050 0.000 0.992 422 V HN 0.761 nan 8.190 nan 0.000 0.428 423 I N 4.533 125.109 120.570 0.010 0.000 2.312 423 I HA 0.386 4.555 4.170 -0.001 0.000 0.290 423 I C -0.527 175.479 176.117 -0.185 0.000 1.008 423 I CA -0.671 60.604 61.300 -0.042 0.000 1.226 423 I CB 1.767 39.810 38.000 0.072 0.000 1.371 423 I HN 0.278 nan 8.210 nan 0.000 0.468 424 V N 5.396 125.103 119.914 -0.346 0.000 2.318 424 V HA 0.157 4.277 4.120 -0.001 0.000 0.271 424 V C 0.037 175.887 176.094 -0.407 0.000 1.030 424 V CA -0.520 61.525 62.300 -0.424 0.000 0.844 424 V CB 1.280 32.736 31.823 -0.611 0.000 1.015 424 V HN 0.622 nan 8.190 nan 0.000 0.460 425 D N 3.877 124.016 120.400 -0.435 0.000 2.339 425 D HA 0.141 4.780 4.640 -0.001 0.000 0.241 425 D C 0.601 176.638 176.300 -0.439 0.000 1.183 425 D CA -0.246 53.399 54.000 -0.592 0.000 0.859 425 D CB 1.420 42.042 40.800 -0.297 0.000 1.067 425 D HN 0.610 nan 8.370 nan 0.000 0.484 426 C N 4.540 123.611 119.300 -0.382 0.000 2.673 426 C HA 0.209 4.668 4.460 -0.001 0.000 0.274 426 C C 1.341 176.152 174.990 -0.299 0.000 1.276 426 C CA -0.507 58.368 59.018 -0.239 0.000 1.701 426 C CB -1.296 26.375 27.740 -0.114 0.000 1.836 426 C HN 0.438 nan 8.230 nan 0.000 0.596 427 R N -0.081 120.191 120.500 -0.379 0.000 2.652 427 R HA 0.305 4.644 4.340 -0.001 0.000 0.271 427 R C -0.563 175.438 176.300 -0.499 0.000 1.129 427 R CA -0.230 55.561 56.100 -0.514 0.000 1.200 427 R CB 0.238 30.272 30.300 -0.443 0.000 1.146 427 R HN 0.247 nan 8.270 nan 0.000 0.581 428 Y N 0.383 120.423 120.300 -0.433 0.000 2.326 428 Y HA 0.112 4.661 4.550 -0.001 0.000 0.333 428 Y C -1.359 174.157 175.900 -0.640 0.000 1.240 428 Y CA -2.419 55.295 58.100 -0.643 0.000 1.365 428 Y CB -0.211 37.867 38.460 -0.636 0.000 1.289 428 Y HN 0.449 nan 8.280 nan 0.000 0.548 429 P HA -0.285 nan 4.420 nan 0.000 0.217 429 P C 1.312 178.541 177.300 -0.118 0.000 1.162 429 P CA 2.497 65.459 63.100 -0.231 0.000 0.901 429 P CB -0.241 31.346 31.700 -0.188 0.000 0.793 430 Y N -0.114 120.093 120.300 -0.156 0.000 2.274 430 Y HA -0.124 4.425 4.550 -0.001 0.000 0.290 430 Y C 1.842 177.550 175.900 -0.320 0.000 1.145 430 Y CA 1.013 58.989 58.100 -0.205 0.000 1.203 430 Y CB -1.755 36.596 38.460 -0.181 0.000 0.984 430 Y HN 0.060 nan 8.280 nan 0.000 0.533 431 E N -0.220 119.459 120.200 -0.870 0.000 2.047 431 E HA -0.208 4.141 4.350 -0.001 0.000 0.191 431 E C 1.908 178.293 176.600 -0.358 0.000 0.987 431 E CA 1.374 57.394 56.400 -0.634 0.000 0.799 431 E CB -0.562 28.744 29.700 -0.656 0.000 0.752 431 E HN 0.590 nan 8.360 nan 0.000 0.449 432 Y N 2.201 122.259 120.300 -0.403 0.000 2.114 432 Y HA -0.263 4.287 4.550 -0.001 0.000 0.282 432 Y C 1.899 177.748 175.900 -0.085 0.000 1.165 432 Y CA 1.964 59.900 58.100 -0.274 0.000 1.148 432 Y CB -0.054 38.222 38.460 -0.307 0.000 0.972 432 Y HN -0.014 nan 8.280 nan 0.000 0.504 433 E N -0.827 119.350 120.200 -0.039 0.000 2.204 433 E HA -0.144 4.206 4.350 -0.001 0.000 0.195 433 E C 2.143 178.664 176.600 -0.132 0.000 0.990 433 E CA 0.807 57.175 56.400 -0.052 0.000 0.821 433 E CB -0.423 29.296 29.700 0.030 0.000 0.750 433 E HN 0.629 nan 8.360 nan 0.000 0.477 434 G N 0.202 108.881 108.800 -0.201 0.000 2.920 434 G HA2 0.228 4.188 3.960 -0.001 0.000 0.208 434 G HA3 0.228 4.188 3.960 -0.001 0.000 0.208 434 G C 0.424 175.197 174.900 -0.211 0.000 1.159 434 G CA 0.345 45.325 45.100 -0.199 0.000 0.784 434 G HN 0.339 nan 8.290 nan 0.000 0.535 435 G N 0.399 109.013 108.800 -0.309 0.000 2.404 435 G HA2 0.396 4.355 3.960 -0.001 0.000 0.230 435 G HA3 0.396 4.355 3.960 -0.001 0.000 0.230 435 G C -0.892 173.650 174.900 -0.598 0.000 1.516 435 G CA -0.422 44.459 45.100 -0.365 0.000 1.026 435 G HN 0.735 nan 8.290 nan 0.000 0.660 436 H N 0.952 119.772 119.070 -0.418 0.000 2.960 436 H HA 0.681 5.236 4.556 -0.001 0.000 0.338 436 H C -0.394 174.976 175.328 0.069 0.000 1.261 436 H CA -1.139 54.664 56.048 -0.408 0.000 1.136 436 H CB 1.542 30.947 29.762 -0.595 0.000 1.875 436 H HN 0.438 nan 8.280 nan 0.000 0.550 437 I N 1.471 122.249 120.570 0.346 0.000 2.696 437 I HA 0.036 4.206 4.170 -0.001 0.000 0.284 437 I C 0.568 176.866 176.117 0.301 0.000 1.129 437 I CA -0.230 61.243 61.300 0.289 0.000 1.410 437 I CB 0.545 38.571 38.000 0.042 0.000 1.399 437 I HN 0.275 nan 8.210 nan 0.000 0.579 438 K N 3.596 124.154 120.400 0.263 0.000 2.451 438 K HA 0.057 4.377 4.320 -0.001 0.000 0.280 438 K C 0.911 177.653 176.600 0.237 0.000 1.020 438 K CA 1.027 57.454 56.287 0.234 0.000 1.008 438 K CB 0.300 32.932 32.500 0.220 0.000 0.917 438 K HN 0.987 nan 8.250 nan 0.000 0.478 439 T N -1.909 112.772 114.554 0.212 0.000 6.424 439 T HA -0.245 4.104 4.350 -0.001 0.000 0.279 439 T C 0.333 175.107 174.700 0.123 0.000 2.176 439 T CA 0.533 62.723 62.100 0.150 0.000 3.628 439 T CB -1.660 67.284 68.868 0.126 0.000 1.165 439 T HN 0.757 nan 8.240 nan 0.000 1.080 440 A N 1.370 124.293 122.820 0.172 0.000 2.483 440 A HA 0.607 4.927 4.320 -0.001 0.000 0.238 440 A C 0.831 178.413 177.584 -0.002 0.000 1.070 440 A CA 0.058 52.154 52.037 0.099 0.000 0.770 440 A CB 0.324 19.440 19.000 0.194 0.000 1.008 440 A HN 1.866 nan 8.150 nan 0.000 0.497 441 V N 1.055 120.848 119.914 -0.201 0.000 2.547 441 V HA 0.476 4.596 4.120 -0.001 0.000 0.299 441 V C 0.092 175.799 176.094 -0.645 0.000 1.040 441 V CA -1.005 61.033 62.300 -0.436 0.000 0.913 441 V CB 1.549 32.979 31.823 -0.655 0.000 0.992 441 V HN 0.885 nan 8.190 nan 0.000 0.449 442 N N 3.647 121.754 118.700 -0.988 0.000 2.420 442 N HA 0.497 5.236 4.740 -0.001 0.000 0.249 442 N C -1.036 174.120 175.510 -0.590 0.000 1.033 442 N CA -0.558 51.878 53.050 -1.024 0.000 0.944 442 N CB 0.703 38.212 38.487 -1.629 0.000 1.113 442 N HN 0.777 nan 8.380 nan 0.000 0.502 443 L N 6.589 127.561 121.223 -0.418 0.000 2.488 443 L HA 0.349 4.688 4.340 -0.001 0.000 0.250 443 L C -1.605 175.194 176.870 -0.118 0.000 1.280 443 L CA -1.312 53.383 54.840 -0.240 0.000 0.929 443 L CB 1.598 43.520 42.059 -0.228 0.000 1.200 443 L HN 0.463 nan 8.230 nan 0.000 0.495 444 P HA -0.088 nan 4.420 nan 0.000 0.216 444 P C 0.501 177.875 177.300 0.123 0.000 1.153 444 P CA 0.896 64.040 63.100 0.072 0.000 0.844 444 P CB 0.668 32.509 31.700 0.235 0.000 0.787 445 L N 0.347 121.634 121.223 0.107 0.000 2.357 445 L HA 0.212 4.551 4.340 -0.001 0.000 0.273 445 L C 1.921 178.769 176.870 -0.036 0.000 1.080 445 L CA -0.557 54.300 54.840 0.027 0.000 0.803 445 L CB 0.654 42.717 42.059 0.007 0.000 1.174 445 L HN -0.147 nan 8.230 nan 0.000 0.443 446 E N 1.767 121.868 120.200 -0.165 0.000 2.153 446 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 446 E C 1.924 178.512 176.600 -0.020 0.000 0.988 446 E CA 1.364 57.572 56.400 -0.321 0.000 0.811 446 E CB -0.001 29.080 29.700 -1.032 0.000 0.746 446 E HN 0.582 nan 8.360 nan 0.000 0.466 447 R N 1.182 121.674 120.500 -0.013 0.000 2.092 447 R HA -0.109 4.230 4.340 -0.001 0.000 0.231 447 R C 1.429 177.790 176.300 0.101 0.000 1.119 447 R CA 1.567 57.711 56.100 0.074 0.000 0.970 447 R CB -0.204 30.114 30.300 0.030 0.000 0.864 447 R HN 0.018 nan 8.270 nan 0.000 0.440 448 D N 1.613 122.056 120.400 0.071 0.000 2.097 448 D HA -0.107 4.532 4.640 -0.001 0.000 0.195 448 D C 2.084 178.460 176.300 0.128 0.000 0.989 448 D CA 1.790 55.837 54.000 0.078 0.000 0.827 448 D CB -0.318 40.501 40.800 0.031 0.000 0.966 448 D HN 0.411 nan 8.370 nan 0.000 0.456 449 A N 1.159 124.060 122.820 0.134 0.000 1.883 449 A HA -0.244 4.076 4.320 -0.001 0.000 0.217 449 A C 2.152 179.891 177.584 0.258 0.000 1.186 449 A CA 2.021 54.172 52.037 0.191 0.000 0.624 449 A CB -0.720 18.428 19.000 0.246 0.000 0.822 449 A HN 0.295 nan 8.150 nan 0.000 0.444 450 E N -0.480 119.906 120.200 0.309 0.000 2.051 450 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 450 E C 2.220 178.924 176.600 0.172 0.000 0.991 450 E CA 1.419 57.970 56.400 0.252 0.000 0.799 450 E CB -0.211 29.675 29.700 0.311 0.000 0.748 450 E HN 0.554 nan 8.360 nan 0.000 0.449 451 S N -0.600 115.197 115.700 0.162 0.000 2.348 451 S HA -0.194 4.275 4.470 -0.001 0.000 0.221 451 S C 1.737 176.406 174.600 0.114 0.000 1.033 451 S CA 1.354 59.623 58.200 0.115 0.000 1.010 451 S CB -0.544 62.720 63.200 0.106 0.000 0.891 451 S HN 0.485 nan 8.310 nan 0.000 0.442 452 F N 1.356 121.316 119.950 0.017 0.000 2.234 452 F HA 0.131 4.658 4.527 -0.001 0.000 0.299 452 F C 1.688 177.487 175.800 -0.001 0.000 1.087 452 F CA 1.336 59.332 58.000 -0.008 0.000 1.340 452 F CB -0.049 38.932 39.000 -0.033 0.000 1.031 452 F HN 0.212 nan 8.300 nan 0.000 0.500 453 L N -1.087 120.269 121.223 0.221 0.000 2.357 453 L HA 0.055 4.394 4.340 -0.001 0.000 0.211 453 L C 1.673 178.661 176.870 0.197 0.000 1.075 453 L CA 0.420 55.371 54.840 0.185 0.000 0.830 453 L CB -0.078 42.065 42.059 0.140 0.000 0.996 453 L HN 0.106 nan 8.230 nan 0.000 0.467 454 L N -0.953 120.338 121.223 0.112 0.000 2.672 454 L HA 0.101 4.440 4.340 -0.001 0.000 0.236 454 L C 2.214 179.047 176.870 -0.062 0.000 1.092 454 L CA 0.105 54.960 54.840 0.025 0.000 0.887 454 L CB 0.124 42.235 42.059 0.088 0.000 1.168 454 L HN 0.101 nan 8.230 nan 0.000 0.502 455 K N 0.264 120.640 120.400 -0.040 0.000 2.148 455 K HA -0.074 4.246 4.320 -0.001 0.000 0.204 455 K C 0.752 177.288 176.600 -0.107 0.000 1.050 455 K CA 1.009 57.265 56.287 -0.053 0.000 0.942 455 K CB 0.245 32.726 32.500 -0.030 0.000 0.724 455 K HN 0.065 nan 8.250 nan 0.000 0.446 456 S N 1.208 116.815 115.700 -0.153 0.000 2.386 456 S HA 0.318 4.787 4.470 -0.001 0.000 0.152 456 S C -2.768 171.689 174.600 -0.238 0.000 1.511 456 S CA -1.462 56.626 58.200 -0.187 0.000 1.246 456 S CB 0.876 63.981 63.200 -0.160 0.000 1.338 456 S HN 0.025 nan 8.310 nan 0.000 0.409 457 P HA 0.001 nan 4.420 nan 0.000 0.259 457 P C -0.579 176.566 177.300 -0.258 0.000 1.155 457 P CA 0.445 63.264 63.100 -0.469 0.000 0.759 457 P CB 0.074 31.116 31.700 -1.097 0.000 0.753 458 I N 2.767 123.284 120.570 -0.088 0.000 2.293 458 I HA 0.185 4.354 4.170 -0.001 0.000 0.299 458 I C 1.038 177.147 176.117 -0.013 0.000 1.153 458 I CA -0.286 61.005 61.300 -0.015 0.000 1.302 458 I CB -0.097 37.959 38.000 0.094 0.000 1.460 458 I HN 0.361 nan 8.210 nan 0.000 0.552 459 A N 8.359 131.144 122.820 -0.058 0.000 2.287 459 A HA 0.684 5.003 4.320 -0.001 0.000 0.273 459 A C -2.243 175.339 177.584 -0.003 0.000 1.091 459 A CA -1.138 50.880 52.037 -0.032 0.000 0.817 459 A CB 0.023 19.002 19.000 -0.035 0.000 1.069 459 A HN 0.372 nan 8.150 nan 0.000 0.492 460 P HA 0.248 nan 4.420 nan 0.000 0.277 460 P C 0.662 177.966 177.300 0.006 0.000 1.276 460 P CA -0.216 62.894 63.100 0.016 0.000 0.788 460 P CB 0.378 32.090 31.700 0.019 0.000 1.114 461 C N -3.474 115.832 119.300 0.010 0.000 3.065 461 C HA 0.487 4.946 4.460 -0.001 0.000 0.285 461 C C 0.710 175.704 174.990 0.007 0.000 1.257 461 C CA -0.075 58.946 59.018 0.006 0.000 1.691 461 C CB -0.955 26.789 27.740 0.007 0.000 2.089 461 C HN 0.486 nan 8.230 nan 0.000 0.630 462 S N -0.348 115.358 115.700 0.011 0.000 2.572 462 S HA 0.565 5.035 4.470 -0.001 0.000 0.274 462 S C 0.319 174.924 174.600 0.008 0.000 1.150 462 S CA -0.641 57.565 58.200 0.010 0.000 0.944 462 S CB 0.871 64.080 63.200 0.015 0.000 1.071 462 S HN 0.395 nan 8.310 nan 0.000 0.479 463 L N 2.605 123.829 121.223 0.002 0.000 2.127 463 L HA -0.067 4.272 4.340 -0.001 0.000 0.211 463 L C 1.752 178.620 176.870 -0.003 0.000 1.089 463 L CA 1.495 56.333 54.840 -0.004 0.000 0.757 463 L CB -0.407 41.647 42.059 -0.009 0.000 0.899 463 L HN 0.768 nan 8.230 nan 0.000 0.434 464 D N -1.147 119.255 120.400 0.003 0.000 2.340 464 D HA -0.022 4.618 4.640 -0.001 0.000 0.220 464 D C 0.666 176.975 176.300 0.015 0.000 1.039 464 D CA 0.205 54.209 54.000 0.006 0.000 0.866 464 D CB 0.219 41.024 40.800 0.008 0.000 0.913 464 D HN 0.141 nan 8.370 nan 0.000 0.523 465 K N 0.953 121.365 120.400 0.020 0.000 2.106 465 K HA 0.461 4.781 4.320 -0.001 0.000 0.246 465 K C 0.437 177.057 176.600 0.033 0.000 0.987 465 K CA -0.558 55.749 56.287 0.034 0.000 0.904 465 K CB 2.036 34.559 32.500 0.039 0.000 1.071 465 K HN 0.003 nan 8.250 nan 0.000 0.453 466 R N 0.136 120.666 120.500 0.052 0.000 2.732 466 R HA 0.544 4.883 4.340 -0.001 0.000 0.278 466 R C -0.676 175.678 176.300 0.090 0.000 0.976 466 R CA -1.017 55.116 56.100 0.055 0.000 0.963 466 R CB 1.537 31.867 30.300 0.050 0.000 1.150 466 R HN 0.169 nan 8.270 nan 0.000 0.478 467 V N 3.769 123.744 119.914 0.103 0.000 2.448 467 V HA 0.474 4.593 4.120 -0.001 0.000 0.295 467 V C -0.217 175.994 176.094 0.194 0.000 1.025 467 V CA -0.543 61.851 62.300 0.157 0.000 0.859 467 V CB 1.612 33.541 31.823 0.177 0.000 0.988 467 V HN 0.568 nan 8.190 nan 0.000 0.431 468 I N 5.473 126.172 120.570 0.216 0.000 2.569 468 I HA 0.524 4.693 4.170 -0.001 0.000 0.296 468 I C -0.820 175.407 176.117 0.183 0.000 1.028 468 I CA -0.648 60.786 61.300 0.222 0.000 1.082 468 I CB 2.215 40.356 38.000 0.235 0.000 1.264 468 I HN 0.305 nan 8.210 nan 0.000 0.429 469 L N 6.333 127.636 121.223 0.132 0.000 2.346 469 L HA 0.632 4.971 4.340 -0.001 0.000 0.274 469 L C -0.823 176.056 176.870 0.015 0.000 1.007 469 L CA -0.740 54.072 54.840 -0.047 0.000 0.818 469 L CB 2.311 44.241 42.059 -0.215 0.000 1.284 469 L HN 0.442 nan 8.230 nan 0.000 0.424 470 I N 2.208 122.693 120.570 -0.143 0.000 2.478 470 I HA 0.368 4.537 4.170 -0.001 0.000 0.287 470 I C -0.995 175.004 176.117 -0.197 0.000 1.042 470 I CA -0.272 61.011 61.300 -0.028 0.000 1.067 470 I CB 1.828 39.826 38.000 -0.004 0.000 1.233 470 I HN 0.299 nan 8.210 nan 0.000 0.431 471 F N 4.494 124.451 119.950 0.012 0.000 2.470 471 F HA 0.645 5.172 4.527 -0.001 0.000 0.329 471 F C 0.235 176.060 175.800 0.042 0.000 1.072 471 F CA -0.369 57.612 58.000 -0.032 0.000 0.989 471 F CB 1.371 40.333 39.000 -0.063 0.000 1.193 471 F HN 0.550 nan 8.300 nan 0.000 0.481 472 H N -0.808 118.335 119.070 0.123 0.000 3.024 472 H HA 0.621 5.176 4.556 -0.001 0.000 0.324 472 H C -1.194 174.145 175.328 0.018 0.000 1.347 472 H CA -1.671 54.415 56.048 0.063 0.000 1.182 472 H CB 0.712 30.490 29.762 0.027 0.000 1.889 472 H HN 0.806 nan 8.280 nan 0.000 0.528 473 C N 0.735 120.129 119.300 0.157 0.000 3.955 473 C HA 0.551 5.010 4.460 -0.001 0.000 0.320 473 C C 1.600 176.658 174.990 0.113 0.000 4.237 473 C CA 0.049 59.068 59.018 0.001 0.000 1.624 473 C CB 0.935 28.639 27.740 -0.060 0.000 4.845 473 C HN 1.085 nan 8.230 nan 0.000 0.538 474 E N -0.295 119.835 120.200 -0.118 0.000 2.072 474 E HA 0.003 4.352 4.350 -0.001 0.000 0.190 474 E C 1.022 177.430 176.600 -0.320 0.000 0.982 474 E CA 1.554 57.776 56.400 -0.297 0.000 0.803 474 E CB -0.068 29.249 29.700 -0.639 0.000 0.755 474 E HN 0.679 nan 8.360 nan 0.000 0.453 475 F N -0.402 119.640 119.950 0.153 0.000 2.706 475 F HA 0.362 4.888 4.527 -0.001 0.000 0.313 475 F C 0.610 176.503 175.800 0.156 0.000 1.096 475 F CA -0.186 57.901 58.000 0.145 0.000 1.219 475 F CB 0.685 39.759 39.000 0.123 0.000 1.051 475 F HN -0.243 nan 8.300 nan 0.000 0.568 476 S N 0.596 116.465 115.700 0.283 0.000 3.706 476 S HA -0.204 4.266 4.470 -0.001 0.000 0.363 476 S C 1.354 176.134 174.600 0.300 0.000 0.999 476 S CA 0.788 59.146 58.200 0.263 0.000 1.143 476 S CB -1.410 61.953 63.200 0.272 0.000 0.902 476 S HN 0.615 nan 8.310 nan 0.000 0.476 477 S N -1.610 114.261 115.700 0.286 0.000 2.619 477 S HA 0.336 4.805 4.470 -0.001 0.000 0.238 477 S C 1.030 175.807 174.600 0.295 0.000 1.068 477 S CA 0.212 58.590 58.200 0.297 0.000 0.926 477 S CB 0.483 63.822 63.200 0.233 0.000 0.864 477 S HN 0.549 nan 8.310 nan 0.000 0.493 478 E N 1.164 121.486 120.200 0.203 0.000 2.592 478 E HA 0.282 4.632 4.350 -0.001 0.000 0.184 478 E C 2.048 178.682 176.600 0.056 0.000 1.056 478 E CA -0.329 56.154 56.400 0.138 0.000 1.151 478 E CB 0.214 29.992 29.700 0.130 0.000 1.435 478 E HN 0.235 nan 8.360 nan 0.000 0.496 479 R N 0.510 121.026 120.500 0.027 0.000 2.083 479 R HA -0.093 4.246 4.340 -0.001 0.000 0.237 479 R C 2.344 178.623 176.300 -0.035 0.000 1.137 479 R CA 1.426 57.511 56.100 -0.024 0.000 0.951 479 R CB -0.578 29.669 30.300 -0.089 0.000 0.851 479 R HN 0.287 nan 8.270 nan 0.000 0.434 480 G N 1.713 110.508 108.800 -0.008 0.000 2.545 480 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.217 480 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.217 480 G C -0.947 173.885 174.900 -0.112 0.000 1.218 480 G CA 0.721 45.824 45.100 0.005 0.000 0.787 480 G HN 0.254 nan 8.290 nan 0.000 0.571 481 P HA -0.110 nan 4.420 nan 0.000 0.216 481 P C 1.967 179.103 177.300 -0.273 0.000 1.153 481 P CA 1.299 64.254 63.100 -0.242 0.000 0.858 481 P CB -0.068 31.456 31.700 -0.293 0.000 0.789 482 R N -1.221 119.170 120.500 -0.182 0.000 2.073 482 R HA -0.122 4.217 4.340 -0.001 0.000 0.234 482 R C 2.192 178.420 176.300 -0.119 0.000 1.134 482 R CA 1.666 57.688 56.100 -0.129 0.000 0.952 482 R CB -0.734 29.523 30.300 -0.072 0.000 0.850 482 R HN 0.068 nan 8.270 nan 0.000 0.433 483 M N 0.205 119.715 119.600 -0.149 0.000 2.117 483 M HA -0.194 4.285 4.480 -0.001 0.000 0.262 483 M C 2.354 178.403 176.300 -0.419 0.000 1.065 483 M CA 1.545 56.773 55.300 -0.119 0.000 1.114 483 M CB -0.696 31.887 32.600 -0.027 0.000 1.361 483 M HN 0.306 nan 8.290 nan 0.000 0.408 484 C N 0.127 118.883 119.300 -0.906 0.000 2.425 484 C HA -0.125 4.335 4.460 -0.001 0.000 0.277 484 C C 2.736 177.439 174.990 -0.479 0.000 1.280 484 C CA 1.244 59.527 59.018 -1.226 0.000 1.744 484 C CB -0.973 26.164 27.740 -1.005 0.000 1.989 484 C HN 0.599 nan 8.230 nan 0.000 0.491 485 R N -1.041 119.290 120.500 -0.282 0.000 2.093 485 R HA -0.008 4.332 4.340 -0.001 0.000 0.224 485 R C 2.066 178.337 176.300 -0.049 0.000 1.101 485 R CA 1.602 57.621 56.100 -0.135 0.000 0.979 485 R CB -0.621 29.618 30.300 -0.102 0.000 0.877 485 R HN 0.646 nan 8.270 nan 0.000 0.441 486 F N 1.730 121.596 119.950 -0.141 0.000 2.069 486 F HA -0.214 4.312 4.527 -0.001 0.000 0.298 486 F C 1.891 177.674 175.800 -0.028 0.000 1.113 486 F CA 1.383 59.342 58.000 -0.069 0.000 1.214 486 F CB -0.186 38.779 39.000 -0.059 0.000 0.978 486 F HN -0.145 nan 8.300 nan 0.000 0.474 487 I N 0.650 121.083 120.570 -0.228 0.000 2.264 487 I HA -0.252 3.917 4.170 -0.001 0.000 0.248 487 I C 2.466 178.502 176.117 -0.135 0.000 1.111 487 I CA 1.307 62.480 61.300 -0.212 0.000 1.382 487 I CB -1.353 36.696 38.000 0.083 0.000 1.060 487 I HN 0.201 nan 8.210 nan 0.000 0.418 488 R N 1.525 121.965 120.500 -0.100 0.000 2.120 488 R HA -0.145 4.195 4.340 -0.001 0.000 0.234 488 R C 2.010 178.268 176.300 -0.070 0.000 1.123 488 R CA 1.428 57.499 56.100 -0.049 0.000 0.975 488 R CB -0.390 29.882 30.300 -0.047 0.000 0.866 488 R HN 0.422 nan 8.270 nan 0.000 0.446 489 E N -0.345 119.780 120.200 -0.124 0.000 2.028 489 E HA -0.143 4.207 4.350 -0.001 0.000 0.191 489 E C 1.955 178.475 176.600 -0.133 0.000 0.988 489 E CA 0.970 57.306 56.400 -0.107 0.000 0.799 489 E CB -0.052 29.586 29.700 -0.103 0.000 0.755 489 E HN 0.150 nan 8.360 nan 0.000 0.447 490 R N 1.089 121.427 120.500 -0.270 0.000 2.127 490 R HA -0.130 4.209 4.340 -0.001 0.000 0.238 490 R C 1.833 178.095 176.300 -0.062 0.000 1.134 490 R CA 1.065 57.040 56.100 -0.207 0.000 0.975 490 R CB -0.727 29.355 30.300 -0.363 0.000 0.865 490 R HN 0.245 nan 8.270 nan 0.000 0.447 491 D N 0.487 120.870 120.400 -0.028 0.000 2.117 491 D HA -0.098 4.541 4.640 -0.001 0.000 0.198 491 D C 1.842 178.135 176.300 -0.013 0.000 0.982 491 D CA 0.853 54.879 54.000 0.043 0.000 0.828 491 D CB 0.159 41.011 40.800 0.086 0.000 0.967 491 D HN -0.060 nan 8.370 nan 0.000 0.464 492 R N 0.424 120.915 120.500 -0.015 0.000 2.081 492 R HA -0.015 4.324 4.340 -0.001 0.000 0.235 492 R C 2.211 178.516 176.300 0.009 0.000 1.131 492 R CA 1.060 57.164 56.100 0.007 0.000 0.960 492 R CB -1.021 29.305 30.300 0.043 0.000 0.856 492 R HN 0.205 nan 8.270 nan 0.000 0.436 493 A N 0.884 123.704 122.820 -0.001 0.000 1.908 493 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 493 A C 1.888 179.477 177.584 0.009 0.000 1.181 493 A CA 1.840 53.880 52.037 0.004 0.000 0.627 493 A CB -0.389 18.609 19.000 -0.004 0.000 0.818 493 A HN 0.221 nan 8.150 nan 0.000 0.445 494 V N -3.066 116.856 119.914 0.013 0.000 3.110 494 V HA 0.376 4.495 4.120 -0.001 0.000 0.368 494 V C -0.253 175.820 176.094 -0.035 0.000 1.332 494 V CA -0.605 61.710 62.300 0.026 0.000 1.287 494 V CB -1.113 30.770 31.823 0.100 0.000 1.277 494 V HN 0.395 nan 8.190 nan 0.000 0.502 495 N N 0.331 118.989 118.700 -0.069 0.000 2.525 495 N HA 0.404 5.143 4.740 -0.001 0.000 0.270 495 N C -1.627 173.848 175.510 -0.059 0.000 1.321 495 N CA -0.530 52.439 53.050 -0.135 0.000 0.797 495 N CB 2.397 40.743 38.487 -0.235 0.000 1.529 495 N HN 0.244 nan 8.380 nan 0.000 0.491 496 D N 1.475 121.834 120.400 -0.068 0.000 2.428 496 D HA 0.091 4.731 4.640 -0.001 0.000 0.221 496 D C -0.128 176.185 176.300 0.023 0.000 1.123 496 D CA -0.037 53.959 54.000 -0.005 0.000 0.869 496 D CB 0.161 40.950 40.800 -0.018 0.000 1.032 496 D HN 0.351 nan 8.370 nan 0.000 0.506 497 Y N 3.668 123.942 120.300 -0.043 0.000 3.073 497 Y HA -0.113 4.436 4.550 -0.001 0.000 0.343 497 Y C -1.220 174.673 175.900 -0.010 0.000 1.274 497 Y CA -0.326 57.763 58.100 -0.019 0.000 1.554 497 Y CB 0.650 39.109 38.460 -0.000 0.000 1.250 497 Y HN 0.333 nan 8.280 nan 0.000 0.622 498 P HA 0.061 nan 4.420 nan 0.000 0.251 498 P C -0.228 176.824 177.300 -0.413 0.000 1.223 498 P CA 0.384 62.995 63.100 -0.814 0.000 0.796 498 P CB 0.358 31.763 31.700 -0.491 0.000 1.068 499 S N 0.369 115.911 115.700 -0.263 0.000 2.561 499 S HA 0.106 4.575 4.470 -0.001 0.000 0.294 499 S C 0.161 174.592 174.600 -0.281 0.000 1.294 499 S CA 0.571 58.624 58.200 -0.246 0.000 1.055 499 S CB -0.209 62.858 63.200 -0.221 0.000 0.819 499 S HN 0.022 nan 8.310 nan 0.000 0.503 500 L N 1.650 122.696 121.223 -0.296 0.000 2.466 500 L HA 0.357 4.696 4.340 -0.001 0.000 0.258 500 L C -0.313 176.367 176.870 -0.316 0.000 0.973 500 L CA -0.788 53.879 54.840 -0.287 0.000 0.826 500 L CB 1.385 43.335 42.059 -0.181 0.000 1.372 500 L HN 0.586 nan 8.230 nan 0.000 0.409 501 Y N 0.314 120.455 120.300 -0.264 0.000 2.337 501 Y HA -0.009 4.540 4.550 -0.001 0.000 0.293 501 Y C 0.320 175.817 175.900 -0.672 0.000 1.123 501 Y CA 0.805 58.596 58.100 -0.515 0.000 1.201 501 Y CB 0.091 38.125 38.460 -0.709 0.000 1.011 501 Y HN 0.321 nan 8.280 nan 0.000 0.545 502 Y N 0.256 120.621 120.300 0.107 0.000 2.511 502 Y HA 0.321 4.870 4.550 -0.001 0.000 0.356 502 Y C -1.779 174.115 175.900 -0.011 0.000 1.002 502 Y CA -3.467 54.669 58.100 0.060 0.000 1.127 502 Y CB 0.264 38.785 38.460 0.102 0.000 1.137 502 Y HN -0.048 nan 8.280 nan 0.000 0.652 503 P HA -0.165 nan 4.420 nan 0.000 0.222 503 P C 0.125 177.337 177.300 -0.146 0.000 1.147 503 P CA 1.132 64.164 63.100 -0.114 0.000 0.790 503 P CB 0.808 32.396 31.700 -0.187 0.000 0.780 504 E N 0.313 120.476 120.200 -0.061 0.000 2.145 504 E HA 0.447 4.796 4.350 -0.001 0.000 0.262 504 E C -0.742 175.873 176.600 0.025 0.000 0.883 504 E CA -0.459 55.884 56.400 -0.095 0.000 0.748 504 E CB 0.565 30.206 29.700 -0.097 0.000 1.140 504 E HN -0.040 nan 8.360 nan 0.000 0.417 505 M N 3.557 123.141 119.600 -0.026 0.000 2.446 505 M HA 0.442 4.921 4.480 -0.001 0.000 0.294 505 M C -1.413 174.794 176.300 -0.155 0.000 1.158 505 M CA -0.826 54.505 55.300 0.052 0.000 0.899 505 M CB 1.907 34.628 32.600 0.202 0.000 1.687 505 M HN 0.438 nan 8.290 nan 0.000 0.455 506 Y N 1.104 121.484 120.300 0.134 0.000 2.634 506 Y HA 0.667 5.216 4.550 -0.001 0.000 0.340 506 Y C -0.414 175.491 175.900 0.010 0.000 1.058 506 Y CA -1.121 56.986 58.100 0.011 0.000 1.081 506 Y CB 1.744 40.194 38.460 -0.017 0.000 1.295 506 Y HN 0.416 nan 8.280 nan 0.000 0.487 507 I N 2.608 123.191 120.570 0.022 0.000 2.433 507 I HA 0.202 4.372 4.170 -0.001 0.000 0.292 507 I C -0.838 175.289 176.117 0.018 0.000 1.001 507 I CA -0.834 60.417 61.300 -0.082 0.000 1.119 507 I CB 1.589 39.264 38.000 -0.542 0.000 1.289 507 I HN 0.400 nan 8.210 nan 0.000 0.438 508 L N 7.077 128.360 121.223 0.100 0.000 2.342 508 L HA 0.223 4.562 4.340 -0.001 0.000 0.285 508 L C 0.579 177.554 176.870 0.176 0.000 1.095 508 L CA 0.028 54.923 54.840 0.092 0.000 0.843 508 L CB -0.106 41.959 42.059 0.011 0.000 1.201 508 L HN 0.519 nan 8.230 nan 0.000 0.445 509 K N 4.530 125.079 120.400 0.249 0.000 2.472 509 K HA 0.322 4.641 4.320 -0.001 0.000 0.280 509 K C 1.099 177.822 176.600 0.206 0.000 1.028 509 K CA 0.987 57.462 56.287 0.313 0.000 1.045 509 K CB 0.074 32.735 32.500 0.268 0.000 0.902 509 K HN 0.957 nan 8.250 nan 0.000 0.478 510 G N 2.691 111.623 108.800 0.222 0.000 2.217 510 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.246 510 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.246 510 G C 0.660 175.689 174.900 0.215 0.000 0.990 510 G CA 0.066 45.288 45.100 0.204 0.000 0.627 510 G HN 1.407 nan 8.290 nan 0.000 0.522 511 G N -0.704 108.206 108.800 0.184 0.000 2.598 511 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.269 511 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.269 511 G C 0.560 175.487 174.900 0.046 0.000 1.289 511 G CA 0.916 46.102 45.100 0.142 0.000 0.926 511 G HN 1.438 nan 8.290 nan 0.000 0.567 512 Y N 1.375 121.602 120.300 -0.121 0.000 2.293 512 Y HA -0.030 4.520 4.550 -0.001 0.000 0.291 512 Y C 2.952 178.736 175.900 -0.193 0.000 1.137 512 Y CA 2.567 60.551 58.100 -0.194 0.000 1.202 512 Y CB -0.164 38.150 38.460 -0.244 0.000 0.990 512 Y HN 0.596 nan 8.280 nan 0.000 0.537 513 K N -0.057 120.301 120.400 -0.070 0.000 2.103 513 K HA -0.199 4.120 4.320 -0.001 0.000 0.207 513 K C 1.653 178.281 176.600 0.048 0.000 1.048 513 K CA 1.797 58.096 56.287 0.019 0.000 0.930 513 K CB 0.034 32.769 32.500 0.392 0.000 0.716 513 K HN 0.280 nan 8.250 nan 0.000 0.444 514 E N -0.470 119.773 120.200 0.073 0.000 2.190 514 E HA -0.084 4.266 4.350 -0.001 0.000 0.191 514 E C 1.668 178.267 176.600 -0.001 0.000 0.978 514 E CA 0.463 56.895 56.400 0.053 0.000 0.839 514 E CB -0.157 29.600 29.700 0.094 0.000 0.787 514 E HN 0.283 nan 8.360 nan 0.000 0.473 515 F N 0.708 120.572 119.950 -0.143 0.000 2.128 515 F HA -0.136 4.391 4.527 -0.001 0.000 0.295 515 F C 2.127 177.815 175.800 -0.187 0.000 1.100 515 F CA 0.807 58.727 58.000 -0.133 0.000 1.260 515 F CB -0.250 38.650 39.000 -0.166 0.000 1.009 515 F HN -0.038 nan 8.300 nan 0.000 0.476 516 F N 2.883 122.532 119.950 -0.501 0.000 2.069 516 F HA -0.103 4.423 4.527 -0.001 0.000 0.298 516 F C -0.713 174.862 175.800 -0.375 0.000 1.113 516 F CA 1.446 59.092 58.000 -0.590 0.000 1.214 516 F CB -1.986 36.411 39.000 -1.005 0.000 0.978 516 F HN -0.053 nan 8.300 nan 0.000 0.474 517 P HA -0.174 nan 4.420 nan 0.000 0.221 517 P C 1.087 178.094 177.300 -0.488 0.000 1.150 517 P CA 1.674 64.470 63.100 -0.507 0.000 0.800 517 P CB -0.194 31.383 31.700 -0.205 0.000 0.787 518 Q N -1.422 118.068 119.800 -0.517 0.000 2.250 518 Q HA -0.026 4.314 4.340 -0.001 0.000 0.200 518 Q C 0.482 175.888 176.000 -0.990 0.000 0.941 518 Q CA 0.825 56.218 55.803 -0.684 0.000 0.872 518 Q CB 0.139 28.474 28.738 -0.672 0.000 0.965 518 Q HN 0.530 nan 8.270 nan 0.000 0.480 519 H N -0.655 118.074 119.070 -0.568 0.000 2.712 519 H HA 0.150 4.705 4.556 -0.001 0.000 0.226 519 H C -1.971 173.168 175.328 -0.313 0.000 1.422 519 H CA -1.444 54.344 56.048 -0.433 0.000 1.270 519 H CB 0.938 30.315 29.762 -0.642 0.000 1.891 519 H HN 0.147 nan 8.280 nan 0.000 0.518 520 P HA -0.166 nan 4.420 nan 0.000 0.221 520 P C 1.141 178.438 177.300 -0.005 0.000 1.145 520 P CA 1.021 63.986 63.100 -0.226 0.000 0.795 520 P CB 0.329 31.749 31.700 -0.467 0.000 0.775 521 N N -0.193 118.483 118.700 -0.040 0.000 2.520 521 N HA -0.133 4.607 4.740 -0.001 0.000 0.185 521 N C 0.751 176.111 175.510 -0.249 0.000 1.068 521 N CA 0.714 53.679 53.050 -0.141 0.000 0.911 521 N CB -1.280 37.072 38.487 -0.225 0.000 0.961 521 N HN 0.209 nan 8.380 nan 0.000 0.446 522 F N 0.503 120.527 119.950 0.122 0.000 2.684 522 F HA 0.349 4.875 4.527 -0.001 0.000 0.298 522 F C 0.138 176.112 175.800 0.291 0.000 1.120 522 F CA -0.656 57.473 58.000 0.216 0.000 1.332 522 F CB 0.312 39.502 39.000 0.317 0.000 0.986 522 F HN -0.048 nan 8.300 nan 0.000 0.524 523 C N 0.462 119.951 119.300 0.315 0.000 2.802 523 C HA 0.723 5.182 4.460 -0.001 0.000 0.307 523 C C -0.599 174.442 174.990 0.085 0.000 1.222 523 C CA -1.035 58.154 59.018 0.286 0.000 1.580 523 C CB 1.671 29.698 27.740 0.478 0.000 2.119 523 C HN 0.547 nan 8.230 nan 0.000 0.479 524 E N 0.923 121.051 120.200 -0.121 0.000 2.343 524 E HA 0.410 4.760 4.350 -0.001 0.000 0.286 524 E C -3.226 173.054 176.600 -0.533 0.000 0.915 524 E CA -1.552 54.716 56.400 -0.220 0.000 0.784 524 E CB 1.462 31.072 29.700 -0.149 0.000 1.251 524 E HN 0.235 nan 8.360 nan 0.000 0.407 525 P HA -0.042 nan 4.420 nan 0.000 0.270 525 P C -0.461 176.819 177.300 -0.034 0.000 1.223 525 P CA -0.216 62.810 63.100 -0.124 0.000 0.785 525 P CB 0.471 32.117 31.700 -0.091 0.000 0.923 526 Q N 1.516 121.352 119.800 0.060 0.000 3.179 526 Q HA 0.059 4.398 4.340 -0.001 0.000 0.328 526 Q C -0.618 175.574 176.000 0.319 0.000 1.336 526 Q CA 0.306 56.241 55.803 0.220 0.000 0.939 526 Q CB -0.505 28.326 28.738 0.155 0.000 1.658 526 Q HN 0.358 nan 8.270 nan 0.000 0.486 527 D N -0.154 120.318 120.400 0.120 0.000 2.781 527 D HA 0.264 4.903 4.640 -0.001 0.000 0.295 527 D C -1.686 174.339 176.300 -0.459 0.000 1.143 527 D CA -0.443 53.544 54.000 -0.021 0.000 1.076 527 D CB 1.402 42.211 40.800 0.015 0.000 1.444 527 D HN 0.095 nan 8.370 nan 0.000 0.567 528 Y N 1.237 121.273 120.300 -0.440 0.000 2.362 528 Y HA 0.349 4.898 4.550 -0.001 0.000 0.326 528 Y C -1.440 174.378 175.900 -0.138 0.000 1.083 528 Y CA -0.932 56.948 58.100 -0.367 0.000 1.073 528 Y CB 1.123 39.283 38.460 -0.500 0.000 1.211 528 Y HN 0.299 nan 8.280 nan 0.000 0.433 529 R N 8.025 128.592 120.500 0.112 0.000 2.310 529 R HA 0.527 4.866 4.340 -0.001 0.000 0.316 529 R C -2.930 173.312 176.300 -0.098 0.000 1.004 529 R CA -1.845 54.209 56.100 -0.078 0.000 0.900 529 R CB 1.258 31.420 30.300 -0.230 0.000 1.152 529 R HN 0.376 nan 8.270 nan 0.000 0.513 530 P HA -0.028 nan 4.420 nan 0.000 0.269 530 P C 0.603 177.907 177.300 0.006 0.000 1.215 530 P CA -0.127 62.882 63.100 -0.152 0.000 0.780 530 P CB 0.671 32.242 31.700 -0.214 0.000 0.898 531 M N 2.061 121.657 119.600 -0.007 0.000 2.202 531 M HA -0.195 4.284 4.480 -0.001 0.000 0.262 531 M C 0.665 177.131 176.300 0.277 0.000 1.063 531 M CA 1.859 57.209 55.300 0.084 0.000 1.097 531 M CB -0.242 32.376 32.600 0.030 0.000 1.382 531 M HN 0.236 nan 8.290 nan 0.000 0.413 532 N N -0.176 118.641 118.700 0.196 0.000 2.461 532 N HA -0.075 4.665 4.740 -0.001 0.000 0.188 532 N C 0.061 175.694 175.510 0.205 0.000 1.134 532 N CA 0.273 53.438 53.050 0.192 0.000 0.878 532 N CB -0.688 37.881 38.487 0.137 0.000 0.972 532 N HN 0.421 nan 8.380 nan 0.000 0.456 533 H N 2.496 121.654 119.070 0.147 0.000 3.192 533 H HA -0.081 4.475 4.556 -0.001 0.000 0.295 533 H C 1.271 176.718 175.328 0.199 0.000 0.943 533 H CA 0.695 56.834 56.048 0.152 0.000 1.416 533 H CB 0.732 30.583 29.762 0.148 0.000 1.434 533 H HN 0.405 nan 8.280 nan 0.000 0.565 534 E N 4.202 124.506 120.200 0.173 0.000 2.118 534 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 534 E C 1.641 178.388 176.600 0.244 0.000 0.992 534 E CA 1.139 57.638 56.400 0.165 0.000 0.804 534 E CB -0.121 29.600 29.700 0.035 0.000 0.741 534 E HN 0.576 nan 8.360 nan 0.000 0.458 535 A N 0.123 123.229 122.820 0.475 0.000 2.248 535 A HA 0.018 4.337 4.320 -0.001 0.000 0.210 535 A C 0.535 177.956 177.584 -0.271 0.000 1.174 535 A CA 0.419 52.536 52.037 0.134 0.000 0.750 535 A CB -0.412 18.686 19.000 0.163 0.000 0.780 535 A HN 0.335 nan 8.150 nan 0.000 0.478 536 F N -1.483 118.446 119.950 -0.035 0.000 2.818 536 F HA 0.333 4.860 4.527 -0.001 0.000 0.369 536 F C 1.246 176.868 175.800 -0.297 0.000 1.327 536 F CA -0.646 57.168 58.000 -0.310 0.000 1.211 536 F CB 0.614 39.210 39.000 -0.673 0.000 1.036 536 F HN -0.038 nan 8.300 nan 0.000 0.510 537 K N 0.710 121.099 120.400 -0.019 0.000 2.148 537 K HA -0.088 4.232 4.320 -0.001 0.000 0.204 537 K C 1.426 178.007 176.600 -0.033 0.000 1.050 537 K CA 1.684 57.972 56.287 0.002 0.000 0.942 537 K CB -0.016 32.494 32.500 0.016 0.000 0.724 537 K HN 0.127 nan 8.250 nan 0.000 0.446 538 D N 0.010 120.367 120.400 -0.072 0.000 2.149 538 D HA -0.076 4.563 4.640 -0.001 0.000 0.206 538 D C 1.531 177.797 176.300 -0.056 0.000 0.967 538 D CA 0.834 54.800 54.000 -0.057 0.000 0.848 538 D CB -0.030 40.732 40.800 -0.064 0.000 0.998 538 D HN 0.209 nan 8.370 nan 0.000 0.474 539 E N 0.660 120.793 120.200 -0.112 0.000 2.267 539 E HA -0.148 4.201 4.350 -0.001 0.000 0.197 539 E C 1.852 178.437 176.600 -0.024 0.000 0.998 539 E CA 0.235 56.589 56.400 -0.076 0.000 0.830 539 E CB -0.109 29.485 29.700 -0.175 0.000 0.751 539 E HN 0.124 nan 8.360 nan 0.000 0.491 540 L N 0.765 121.947 121.223 -0.069 0.000 2.072 540 L HA -0.087 4.252 4.340 -0.001 0.000 0.205 540 L C 1.617 178.519 176.870 0.053 0.000 1.079 540 L CA 1.768 56.664 54.840 0.095 0.000 0.752 540 L CB -0.108 42.046 42.059 0.159 0.000 0.906 540 L HN -0.096 nan 8.230 nan 0.000 0.436 541 K N -1.078 119.338 120.400 0.027 0.000 1.985 541 K HA -0.140 4.180 4.320 -0.001 0.000 0.210 541 K C 1.893 178.490 176.600 -0.006 0.000 1.047 541 K CA 2.073 58.368 56.287 0.013 0.000 0.932 541 K CB -0.601 31.901 32.500 0.004 0.000 0.716 541 K HN 0.333 nan 8.250 nan 0.000 0.439 542 T N 1.093 115.649 114.554 0.003 0.000 2.620 542 T HA -0.217 4.132 4.350 -0.001 0.000 0.267 542 T C 1.618 176.275 174.700 -0.072 0.000 1.044 542 T CA 1.785 63.876 62.100 -0.014 0.000 1.161 542 T CB -0.442 68.450 68.868 0.040 0.000 0.862 542 T HN 0.112 nan 8.240 nan 0.000 0.438 543 F N 0.821 120.657 119.950 -0.191 0.000 2.502 543 F HA 0.138 4.665 4.527 -0.001 0.000 0.298 543 F C 2.399 177.981 175.800 -0.362 0.000 1.111 543 F CA 0.359 58.157 58.000 -0.337 0.000 1.445 543 F CB -0.073 38.550 39.000 -0.628 0.000 1.081 543 F HN -0.110 nan 8.300 nan 0.000 0.558 544 R N 0.606 121.038 120.500 -0.113 0.000 2.061 544 R HA 0.175 4.514 4.340 -0.001 0.000 0.230 544 R C 0.279 176.548 176.300 -0.052 0.000 1.140 544 R CA 1.885 57.954 56.100 -0.052 0.000 0.940 544 R CB -0.567 29.739 30.300 0.010 0.000 0.839 544 R HN 0.078 nan 8.270 nan 0.000 0.429 545 L N 0.000 121.184 121.223 -0.065 0.000 2.949 545 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 545 L CA 0.000 nan 54.840 nan 0.000 0.813 545 L CB 0.000 nan 42.059 nan 0.000 0.961 545 L HN 0.000 nan 8.230 nan 0.000 0.502