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 2ja6_1_K DATA FIRST_RESID 1 DATA SEQUENCE MNAPDRFELF LLGEGESKLK IDPDTKAPNA VVITFEKEDH TLGNLIRAEL DATA SEQUENCE LNDRKVLFAA YKVEHPFFAR FKLRIQTTEG YDPKDALKNA CNSIINKLGA DATA SEQUENCE LKTNFETEWN LQTL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.275 176.300 -0.041 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.031 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 2 N N 1.909 120.583 118.700 -0.043 0.000 2.512 2 N HA 0.155 4.895 4.740 0.000 0.000 0.183 2 N C 0.245 175.705 175.510 -0.084 0.000 1.073 2 N CA 0.928 53.946 53.050 -0.053 0.000 0.911 2 N CB -0.179 38.282 38.487 -0.043 0.000 0.964 2 N HN 0.501 nan 8.380 nan 0.000 0.447 3 A N 3.552 126.319 122.820 -0.087 0.000 2.573 3 A HA 0.054 4.374 4.320 0.000 0.000 0.250 3 A C -1.323 176.185 177.584 -0.126 0.000 1.049 3 A CA -0.670 51.301 52.037 -0.111 0.000 0.767 3 A CB -0.270 18.677 19.000 -0.087 0.000 0.965 3 A HN 0.154 nan 8.150 nan 0.000 0.514 4 P HA 0.114 nan 4.420 nan 0.000 0.280 4 P C -0.685 176.473 177.300 -0.237 0.000 1.278 4 P CA -0.381 62.611 63.100 -0.179 0.000 0.787 4 P CB 0.531 32.127 31.700 -0.173 0.000 1.163 5 D N 0.716 120.892 120.400 -0.372 0.000 2.347 5 D HA 0.077 4.717 4.640 0.000 0.000 0.235 5 D C 1.545 177.454 176.300 -0.651 0.000 1.149 5 D CA -0.344 53.282 54.000 -0.623 0.000 0.850 5 D CB 0.738 40.871 40.800 -1.111 0.000 1.061 5 D HN 0.153 nan 8.370 nan 0.000 0.487 6 R N 2.277 122.573 120.500 -0.340 0.000 2.224 6 R HA -0.246 4.094 4.340 0.000 0.000 0.251 6 R C 1.836 178.139 176.300 0.005 0.000 1.123 6 R CA 1.438 57.475 56.100 -0.104 0.000 0.944 6 R CB -1.184 29.136 30.300 0.033 0.000 0.910 6 R HN 0.609 nan 8.270 nan 0.000 0.440 7 F N 1.029 121.040 119.950 0.103 0.000 2.706 7 F HA 0.007 4.534 4.527 0.000 0.000 0.295 7 F C 0.947 176.534 175.800 -0.355 0.000 1.228 7 F CA 0.344 58.267 58.000 -0.128 0.000 1.474 7 F CB -0.818 38.036 39.000 -0.244 0.000 1.120 7 F HN 0.078 nan 8.300 nan 0.000 0.605 8 E N 0.313 120.463 120.200 -0.084 0.000 2.474 8 E HA 0.136 4.486 4.350 0.000 0.000 0.195 8 E C 1.776 178.400 176.600 0.040 0.000 1.039 8 E CA -0.035 56.343 56.400 -0.036 0.000 0.881 8 E CB -0.000 29.622 29.700 -0.128 0.000 0.970 8 E HN 0.563 nan 8.360 nan 0.000 0.486 9 L N -0.209 121.135 121.223 0.202 0.000 2.418 9 L HA 0.060 4.400 4.340 0.000 0.000 0.218 9 L C 1.539 178.686 176.870 0.462 0.000 1.125 9 L CA 0.813 55.856 54.840 0.339 0.000 0.835 9 L CB -0.130 42.157 42.059 0.380 0.000 0.953 9 L HN 0.245 nan 8.230 nan 0.000 0.454 10 F N -3.856 116.151 119.950 0.095 0.000 2.938 10 F HA 0.338 4.865 4.527 0.000 0.000 0.370 10 F C 0.354 176.195 175.800 0.069 0.000 0.981 10 F CA -0.653 57.396 58.000 0.081 0.000 1.108 10 F CB 0.410 39.455 39.000 0.076 0.000 1.086 10 F HN -0.333 nan 8.300 nan 0.000 0.569 11 L N 4.354 125.372 121.223 -0.342 0.000 2.255 11 L HA 0.401 4.741 4.340 0.000 0.000 0.289 11 L C -0.263 176.544 176.870 -0.105 0.000 1.046 11 L CA -0.549 54.147 54.840 -0.241 0.000 0.816 11 L CB 1.021 42.861 42.059 -0.366 0.000 1.197 11 L HN 0.126 nan 8.230 nan 0.000 0.427 12 L N 2.909 124.096 121.223 -0.060 0.000 2.483 12 L HA 0.343 4.683 4.340 0.000 0.000 0.275 12 L C 1.189 178.025 176.870 -0.056 0.000 1.220 12 L CA 0.541 55.353 54.840 -0.046 0.000 0.833 12 L CB 0.044 42.081 42.059 -0.037 0.000 1.102 12 L HN 0.647 nan 8.230 nan 0.000 0.490 13 G N 0.154 108.925 108.800 -0.049 0.000 2.857 13 G HA2 0.342 4.303 3.960 0.000 0.000 0.217 13 G HA3 0.342 4.303 3.960 0.000 0.000 0.217 13 G C -0.702 174.171 174.900 -0.045 0.000 1.357 13 G CA -0.696 44.377 45.100 -0.045 0.000 1.033 13 G HN 0.582 nan 8.290 nan 0.000 0.571 14 E N 0.307 120.482 120.200 -0.040 0.000 2.606 14 E HA 0.324 4.675 4.350 0.000 0.000 0.248 14 E C 0.745 177.322 176.600 -0.038 0.000 1.005 14 E CA 0.961 57.339 56.400 -0.037 0.000 0.946 14 E CB 0.001 29.682 29.700 -0.033 0.000 0.928 14 E HN 0.974 nan 8.360 nan 0.000 0.494 15 G N 4.079 112.857 108.800 -0.037 0.000 2.434 15 G HA2 -0.281 3.679 3.960 0.000 0.000 0.224 15 G HA3 -0.281 3.679 3.960 0.000 0.000 0.224 15 G C -0.427 174.449 174.900 -0.040 0.000 0.807 15 G CA 0.353 45.431 45.100 -0.036 0.000 1.113 15 G HN 0.593 nan 8.290 nan 0.000 0.327 16 E N 0.303 120.478 120.200 -0.043 0.000 2.552 16 E HA 0.392 4.742 4.350 0.000 0.000 0.297 16 E C -0.758 175.811 176.600 -0.051 0.000 1.038 16 E CA -0.667 55.704 56.400 -0.048 0.000 0.856 16 E CB 1.432 31.102 29.700 -0.049 0.000 1.222 16 E HN 0.384 nan 8.360 nan 0.000 0.422 17 S N 1.352 117.015 115.700 -0.062 0.000 2.621 17 S HA 0.280 4.750 4.470 0.000 0.000 0.302 17 S C 0.796 175.343 174.600 -0.089 0.000 1.093 17 S CA -0.788 57.370 58.200 -0.070 0.000 1.017 17 S CB 1.452 64.605 63.200 -0.080 0.000 1.077 17 S HN 0.367 nan 8.310 nan 0.000 0.517 18 K N 0.643 120.992 120.400 -0.085 0.000 2.097 18 K HA 0.087 4.407 4.320 0.000 0.000 0.206 18 K C 0.223 176.691 176.600 -0.220 0.000 1.049 18 K CA 1.153 57.382 56.287 -0.097 0.000 0.933 18 K CB -0.232 32.237 32.500 -0.052 0.000 0.717 18 K HN 0.482 nan 8.250 nan 0.000 0.442 19 L N 0.382 121.464 121.223 -0.234 0.000 2.354 19 L HA 0.398 4.738 4.340 0.000 0.000 0.269 19 L C -0.278 176.459 176.870 -0.222 0.000 1.005 19 L CA -0.729 53.908 54.840 -0.339 0.000 0.819 19 L CB 2.110 43.945 42.059 -0.373 0.000 1.311 19 L HN -0.188 nan 8.230 nan 0.000 0.423 20 K N 3.573 123.835 120.400 -0.229 0.000 2.652 20 K HA 0.514 4.834 4.320 0.000 0.000 0.249 20 K C -1.653 174.869 176.600 -0.131 0.000 0.986 20 K CA -0.405 55.798 56.287 -0.139 0.000 0.867 20 K CB 1.721 34.158 32.500 -0.105 0.000 1.201 20 K HN 0.526 nan 8.250 nan 0.000 0.450 21 I N 3.859 124.371 120.570 -0.097 0.000 2.330 21 I HA 0.223 4.393 4.170 0.000 0.000 0.289 21 I C -0.649 175.447 176.117 -0.035 0.000 1.001 21 I CA -0.632 60.627 61.300 -0.068 0.000 1.193 21 I CB 1.385 39.346 38.000 -0.064 0.000 1.345 21 I HN 0.420 nan 8.210 nan 0.000 0.461 22 D N 8.605 128.995 120.400 -0.016 0.000 2.278 22 D HA 0.305 4.945 4.640 0.000 0.000 0.245 22 D C -2.387 173.919 176.300 0.009 0.000 1.052 22 D CA -1.335 52.663 54.000 -0.003 0.000 0.834 22 D CB 1.989 42.791 40.800 0.003 0.000 1.194 22 D HN 0.241 nan 8.370 nan 0.000 0.481 23 P HA 0.041 nan 4.420 nan 0.000 0.274 23 P C -0.176 177.135 177.300 0.018 0.000 1.291 23 P CA -0.306 62.801 63.100 0.012 0.000 0.815 23 P CB 0.837 32.541 31.700 0.007 0.000 0.897 24 D N 3.236 123.653 120.400 0.027 0.000 2.425 24 D HA 0.012 4.652 4.640 0.000 0.000 0.247 24 D C 0.863 177.174 176.300 0.017 0.000 1.147 24 D CA 0.395 54.412 54.000 0.028 0.000 0.879 24 D CB 1.001 41.827 40.800 0.042 0.000 1.179 24 D HN 0.285 nan 8.370 nan 0.000 0.456 25 T N 1.642 116.203 114.554 0.012 0.000 3.023 25 T HA 0.010 4.360 4.350 0.000 0.000 0.249 25 T C 1.701 176.402 174.700 0.001 0.000 1.050 25 T CA -0.197 61.906 62.100 0.006 0.000 1.088 25 T CB 0.324 69.195 68.868 0.005 0.000 0.946 25 T HN 0.316 nan 8.240 nan 0.000 0.480 26 K N 2.239 122.638 120.400 -0.002 0.000 2.144 26 K HA 0.015 4.335 4.320 0.000 0.000 0.209 26 K C 0.939 177.528 176.600 -0.018 0.000 1.047 26 K CA 1.285 57.565 56.287 -0.012 0.000 0.927 26 K CB -0.357 32.132 32.500 -0.019 0.000 0.716 26 K HN 0.568 nan 8.250 nan 0.000 0.454 27 A N 1.374 124.186 122.820 -0.013 0.000 2.488 27 A HA 0.423 4.743 4.320 0.000 0.000 0.298 27 A C -2.672 174.912 177.584 0.000 0.000 1.044 27 A CA -1.463 50.565 52.037 -0.014 0.000 0.693 27 A CB 1.425 20.405 19.000 -0.033 0.000 1.272 27 A HN -0.133 nan 8.150 nan 0.000 0.402 28 P HA -0.001 nan 4.420 nan 0.000 0.265 28 P C -0.151 177.158 177.300 0.016 0.000 1.187 28 P CA 0.238 63.344 63.100 0.010 0.000 0.766 28 P CB 0.343 32.050 31.700 0.010 0.000 0.820 29 N N 0.915 119.625 118.700 0.018 0.000 2.473 29 N HA -0.155 4.586 4.740 0.000 0.000 0.298 29 N C -1.113 174.411 175.510 0.024 0.000 1.390 29 N CA 1.389 54.450 53.050 0.018 0.000 0.659 29 N CB -1.017 37.483 38.487 0.021 0.000 0.968 29 N HN 0.811 nan 8.380 nan 0.000 0.508 30 A N 1.315 124.152 122.820 0.027 0.000 2.550 30 A HA 0.642 4.962 4.320 0.000 0.000 0.295 30 A C -1.216 176.398 177.584 0.049 0.000 1.001 30 A CA -0.170 51.898 52.037 0.052 0.000 0.660 30 A CB 1.338 20.383 19.000 0.075 0.000 1.308 30 A HN 0.491 nan 8.150 nan 0.000 0.426 31 V N -0.510 119.445 119.914 0.068 0.000 3.181 31 V HA 0.757 4.877 4.120 0.000 0.000 0.308 31 V C -0.881 175.268 176.094 0.092 0.000 1.214 31 V CA -0.725 61.611 62.300 0.060 0.000 1.053 31 V CB 2.227 34.071 31.823 0.034 0.000 1.069 31 V HN 1.111 nan 8.190 nan 0.000 0.441 32 V N 2.964 122.924 119.914 0.076 0.000 2.380 32 V HA 0.517 4.637 4.120 0.000 0.000 0.286 32 V C -0.563 175.573 176.094 0.070 0.000 1.015 32 V CA -0.201 62.158 62.300 0.098 0.000 0.834 32 V CB 1.379 33.252 31.823 0.084 0.000 1.009 32 V HN 0.634 nan 8.190 nan 0.000 0.428 33 I N 3.472 124.108 120.570 0.111 0.000 2.336 33 I HA 0.360 4.530 4.170 0.000 0.000 0.292 33 I C 0.316 176.450 176.117 0.029 0.000 0.991 33 I CA -0.129 61.177 61.300 0.010 0.000 1.227 33 I CB 1.895 39.888 38.000 -0.011 0.000 1.366 33 I HN 0.448 nan 8.210 nan 0.000 0.466 34 T N 6.850 121.336 114.554 -0.114 0.000 2.811 34 T HA 0.381 4.731 4.350 0.000 0.000 0.309 34 T C -0.308 174.232 174.700 -0.268 0.000 1.005 34 T CA -0.236 61.809 62.100 -0.092 0.000 0.955 34 T CB -0.254 68.578 68.868 -0.059 0.000 0.970 34 T HN 0.096 nan 8.240 nan 0.000 0.496 35 F N 3.130 122.808 119.950 -0.453 0.000 2.445 35 F HA 0.294 4.821 4.527 0.000 0.000 0.359 35 F C 1.153 176.716 175.800 -0.396 0.000 1.101 35 F CA -0.753 56.907 58.000 -0.566 0.000 1.177 35 F CB 0.606 38.851 39.000 -1.259 0.000 1.110 35 F HN 0.319 nan 8.300 nan 0.000 0.522 36 E N 3.450 123.590 120.200 -0.100 0.000 2.242 36 E HA 0.185 4.535 4.350 0.000 0.000 0.275 36 E C -0.038 176.571 176.600 0.015 0.000 1.002 36 E CA -0.630 55.745 56.400 -0.041 0.000 0.841 36 E CB 1.040 30.710 29.700 -0.050 0.000 1.109 36 E HN 0.309 nan 8.360 nan 0.000 0.394 37 K N 1.663 122.090 120.400 0.046 0.000 3.451 37 K HA -0.197 4.123 4.320 0.000 0.000 0.273 37 K C -0.127 176.559 176.600 0.143 0.000 0.944 37 K CA 0.912 57.258 56.287 0.098 0.000 0.734 37 K CB -1.121 31.427 32.500 0.080 0.000 1.437 37 K HN 0.490 nan 8.250 nan 0.000 0.454 38 E N 0.060 120.354 120.200 0.156 0.000 2.435 38 E HA 0.501 4.851 4.350 0.000 0.000 0.272 38 E C -0.225 176.563 176.600 0.313 0.000 1.031 38 E CA -0.408 56.129 56.400 0.228 0.000 0.872 38 E CB 1.801 31.632 29.700 0.218 0.000 1.588 38 E HN 0.310 nan 8.360 nan 0.000 0.460 39 D N -1.773 118.870 120.400 0.405 0.000 2.992 39 D HA 0.088 4.728 4.640 0.000 0.000 0.349 39 D C 0.889 177.243 176.300 0.090 0.000 1.393 39 D CA -0.377 53.778 54.000 0.260 0.000 0.887 39 D CB -0.062 40.831 40.800 0.155 0.000 1.447 39 D HN 0.362 nan 8.370 nan 0.000 0.524 40 H N 0.137 119.236 119.070 0.049 0.000 2.297 40 H HA -0.168 4.388 4.556 0.000 0.000 0.289 40 H C 1.597 176.914 175.328 -0.017 0.000 1.105 40 H CA 2.688 58.762 56.048 0.042 0.000 1.219 40 H CB -0.764 29.026 29.762 0.048 0.000 1.351 40 H HN 0.494 nan 8.280 nan 0.000 0.481 41 T N 1.075 115.722 114.554 0.155 0.000 2.567 41 T HA -0.244 4.106 4.350 0.000 0.000 0.261 41 T C 2.192 176.905 174.700 0.022 0.000 1.123 41 T CA 2.152 64.295 62.100 0.071 0.000 1.166 41 T CB -0.578 68.337 68.868 0.078 0.000 0.860 41 T HN 0.255 nan 8.240 nan 0.000 0.436 42 L N -0.365 120.891 121.223 0.054 0.000 2.477 42 L HA 0.320 4.660 4.340 0.000 0.000 0.220 42 L C 2.248 179.050 176.870 -0.114 0.000 1.106 42 L CA 0.819 55.675 54.840 0.027 0.000 0.851 42 L CB -0.447 41.694 42.059 0.136 0.000 0.994 42 L HN 0.330 nan 8.230 nan 0.000 0.462 43 G N -0.031 108.578 108.800 -0.318 0.000 2.556 43 G HA2 -0.330 3.630 3.960 0.000 0.000 0.215 43 G HA3 -0.330 3.630 3.960 0.000 0.000 0.215 43 G C 1.224 175.638 174.900 -0.810 0.000 1.258 43 G CA 0.770 45.347 45.100 -0.871 0.000 0.811 43 G HN 0.404 nan 8.290 nan 0.000 0.557 44 N N 0.153 118.324 118.700 -0.880 0.000 2.111 44 N HA -0.176 4.564 4.740 0.000 0.000 0.197 44 N C 2.112 177.332 175.510 -0.483 0.000 1.011 44 N CA 1.565 54.121 53.050 -0.824 0.000 0.880 44 N CB -0.456 37.810 38.487 -0.368 0.000 1.031 44 N HN 0.222 nan 8.380 nan 0.000 0.444 45 L N 0.817 121.853 121.223 -0.311 0.000 1.989 45 L HA 0.008 4.348 4.340 0.000 0.000 0.211 45 L C 1.875 178.636 176.870 -0.182 0.000 1.071 45 L CA 1.572 56.295 54.840 -0.194 0.000 0.749 45 L CB -0.614 41.373 42.059 -0.121 0.000 0.890 45 L HN 0.297 nan 8.230 nan 0.000 0.431 46 I N -0.832 119.622 120.570 -0.193 0.000 3.334 46 I HA -0.134 4.036 4.170 0.000 0.000 0.282 46 I C 2.317 178.333 176.117 -0.168 0.000 1.313 46 I CA 0.206 61.430 61.300 -0.127 0.000 1.396 46 I CB -0.470 37.482 38.000 -0.080 0.000 1.054 46 I HN 0.309 nan 8.210 nan 0.000 0.495 47 R N 1.560 121.886 120.500 -0.290 0.000 2.074 47 R HA 0.125 4.465 4.340 0.000 0.000 0.218 47 R C 2.268 178.431 176.300 -0.230 0.000 1.137 47 R CA 1.432 57.346 56.100 -0.308 0.000 0.998 47 R CB -0.458 29.519 30.300 -0.539 0.000 0.895 47 R HN 0.242 nan 8.270 nan 0.000 0.442 48 A N 1.823 124.507 122.820 -0.226 0.000 1.851 48 A HA -0.140 4.180 4.320 0.000 0.000 0.216 48 A C 1.962 179.481 177.584 -0.109 0.000 1.195 48 A CA 1.494 53.437 52.037 -0.156 0.000 0.622 48 A CB -0.609 18.306 19.000 -0.143 0.000 0.831 48 A HN 0.321 nan 8.150 nan 0.000 0.444 49 E N -0.377 119.766 120.200 -0.095 0.000 2.209 49 E HA -0.151 4.200 4.350 0.000 0.000 0.196 49 E C 1.834 178.407 176.600 -0.045 0.000 0.993 49 E CA 0.688 57.053 56.400 -0.057 0.000 0.819 49 E CB -0.298 29.375 29.700 -0.044 0.000 0.745 49 E HN 0.642 nan 8.360 nan 0.000 0.477 50 L N 0.279 121.464 121.223 -0.064 0.000 2.395 50 L HA -0.065 4.275 4.340 0.000 0.000 0.218 50 L C 1.826 178.661 176.870 -0.057 0.000 1.130 50 L CA 0.151 54.962 54.840 -0.049 0.000 0.826 50 L CB 0.123 42.145 42.059 -0.061 0.000 0.941 50 L HN 0.092 nan 8.230 nan 0.000 0.451 51 L N -0.322 120.856 121.223 -0.075 0.000 2.591 51 L HA 0.055 4.395 4.340 0.000 0.000 0.228 51 L C 1.562 178.412 176.870 -0.033 0.000 1.133 51 L CA 0.896 55.694 54.840 -0.069 0.000 0.880 51 L CB -0.624 41.379 42.059 -0.092 0.000 1.033 51 L HN 0.187 nan 8.230 nan 0.000 0.450 52 N N -0.774 117.914 118.700 -0.020 0.000 2.305 52 N HA -0.063 4.677 4.740 0.000 0.000 0.179 52 N C 0.316 175.837 175.510 0.019 0.000 1.019 52 N CA 0.340 53.388 53.050 -0.003 0.000 0.869 52 N CB -0.240 38.244 38.487 -0.004 0.000 1.000 52 N HN 0.244 nan 8.380 nan 0.000 0.431 53 D N 2.282 122.702 120.400 0.033 0.000 2.518 53 D HA -0.095 4.545 4.640 0.000 0.000 0.270 53 D C 0.659 177.005 176.300 0.076 0.000 1.338 53 D CA 0.090 54.134 54.000 0.073 0.000 0.983 53 D CB 0.354 41.221 40.800 0.112 0.000 1.126 53 D HN -0.010 nan 8.370 nan 0.000 0.543 54 R N 3.174 123.713 120.500 0.064 0.000 2.355 54 R HA -0.109 4.231 4.340 0.000 0.000 0.219 54 R C 1.308 177.660 176.300 0.087 0.000 1.107 54 R CA 0.491 56.626 56.100 0.059 0.000 1.021 54 R CB 0.079 30.403 30.300 0.040 0.000 0.852 54 R HN 0.443 nan 8.270 nan 0.000 0.475 55 K N 0.109 120.595 120.400 0.144 0.000 2.356 55 K HA 0.126 4.446 4.320 0.000 0.000 0.195 55 K C 0.305 177.016 176.600 0.185 0.000 1.037 55 K CA 0.127 56.550 56.287 0.228 0.000 1.014 55 K CB 0.628 33.400 32.500 0.454 0.000 0.815 55 K HN -0.089 nan 8.250 nan 0.000 0.507 56 V N 3.211 123.192 119.914 0.112 0.000 2.372 56 V HA 0.065 4.185 4.120 0.000 0.000 0.261 56 V C 1.599 177.727 176.094 0.057 0.000 1.055 56 V CA 0.053 62.377 62.300 0.040 0.000 0.930 56 V CB 0.630 32.453 31.823 -0.002 0.000 1.031 56 V HN 0.151 nan 8.190 nan 0.000 0.479 57 L N 5.034 126.305 121.223 0.080 0.000 2.275 57 L HA 0.116 4.456 4.340 0.000 0.000 0.215 57 L C 0.399 177.394 176.870 0.208 0.000 1.119 57 L CA 1.350 56.261 54.840 0.118 0.000 0.790 57 L CB -0.065 42.059 42.059 0.110 0.000 0.919 57 L HN 0.598 nan 8.230 nan 0.000 0.443 58 F N -0.467 119.487 119.950 0.007 0.000 2.669 58 F HA 0.605 5.132 4.527 0.000 0.000 0.315 58 F C -1.561 174.247 175.800 0.013 0.000 1.109 58 F CA -0.909 57.097 58.000 0.010 0.000 1.028 58 F CB 1.066 40.074 39.000 0.014 0.000 1.287 58 F HN -0.317 nan 8.300 nan 0.000 0.452 59 A N 4.106 126.202 122.820 -1.208 0.000 2.500 59 A HA 0.933 5.254 4.320 0.000 0.000 0.291 59 A C -1.828 175.278 177.584 -0.797 0.000 1.048 59 A CA 0.135 51.643 52.037 -0.882 0.000 0.791 59 A CB 0.789 19.571 19.000 -0.363 0.000 1.309 59 A HN 2.021 nan 8.150 nan 0.000 0.397 60 A N 1.609 124.068 122.820 -0.603 0.000 2.602 60 A HA 0.991 5.311 4.320 0.000 0.000 0.290 60 A C -0.980 176.648 177.584 0.073 0.000 1.114 60 A CA -0.192 51.726 52.037 -0.198 0.000 0.683 60 A CB 0.943 19.913 19.000 -0.050 0.000 1.281 60 A HN 2.146 nan 8.150 nan 0.000 0.416 61 Y N -0.505 119.748 120.300 -0.078 0.000 2.715 61 Y HA 0.862 5.412 4.550 0.000 0.000 0.331 61 Y C -0.975 174.911 175.900 -0.024 0.000 1.197 61 Y CA -1.081 56.997 58.100 -0.037 0.000 1.079 61 Y CB 1.648 39.992 38.460 -0.193 0.000 1.298 61 Y HN 0.931 nan 8.280 nan 0.000 0.477 62 K N 0.269 120.386 120.400 -0.471 0.000 2.610 62 K HA 0.484 4.804 4.320 0.000 0.000 0.267 62 K C -2.003 174.372 176.600 -0.376 0.000 0.943 62 K CA -0.937 55.056 56.287 -0.490 0.000 0.862 62 K CB 2.015 34.440 32.500 -0.125 0.000 1.376 62 K HN 0.836 nan 8.250 nan 0.000 0.412 63 V N 0.346 120.029 119.914 -0.385 0.000 2.368 63 V HA 0.246 4.366 4.120 0.000 0.000 0.266 63 V C 1.141 177.186 176.094 -0.082 0.000 1.045 63 V CA -0.334 61.842 62.300 -0.208 0.000 0.899 63 V CB 1.116 32.769 31.823 -0.284 0.000 1.006 63 V HN 0.892 nan 8.190 nan 0.000 0.470 64 E N 2.760 122.956 120.200 -0.006 0.000 2.086 64 E HA -0.195 4.155 4.350 0.000 0.000 0.200 64 E C 0.558 177.162 176.600 0.006 0.000 1.012 64 E CA 2.406 58.811 56.400 0.007 0.000 0.812 64 E CB -0.029 29.697 29.700 0.043 0.000 0.743 64 E HN 1.059 nan 8.360 nan 0.000 0.453 65 H N -2.081 116.896 119.070 -0.156 0.000 3.159 65 H HA 0.053 4.609 4.556 0.000 0.000 0.313 65 H C -2.130 173.085 175.328 -0.188 0.000 1.071 65 H CA -0.853 55.044 56.048 -0.252 0.000 1.451 65 H CB 1.759 31.259 29.762 -0.437 0.000 2.075 65 H HN -0.226 nan 8.280 nan 0.000 0.443 66 P HA -0.295 nan 4.420 nan 0.000 0.222 66 P C 1.290 178.862 177.300 0.455 0.000 1.154 66 P CA 1.566 64.780 63.100 0.189 0.000 0.874 66 P CB -0.067 31.652 31.700 0.033 0.000 0.787 67 F N -1.288 118.895 119.950 0.389 0.000 2.250 67 F HA -0.057 4.470 4.527 0.000 0.000 0.301 67 F C 1.547 177.675 175.800 0.547 0.000 1.077 67 F CA 0.064 58.221 58.000 0.262 0.000 1.348 67 F CB -0.210 38.762 39.000 -0.047 0.000 1.040 67 F HN -0.168 nan 8.300 nan 0.000 0.509 68 F N -0.038 120.068 119.950 0.261 0.000 2.443 68 F HA 0.545 5.072 4.527 0.000 0.000 0.335 68 F C 0.231 176.104 175.800 0.122 0.000 1.104 68 F CA -1.570 56.512 58.000 0.137 0.000 1.013 68 F CB 1.177 40.226 39.000 0.080 0.000 1.136 68 F HN -0.369 nan 8.300 nan 0.000 0.470 69 A N 5.166 128.152 122.820 0.277 0.000 2.310 69 A HA 0.742 5.062 4.320 0.000 0.000 0.300 69 A C -0.269 177.419 177.584 0.173 0.000 1.269 69 A CA -0.325 51.835 52.037 0.206 0.000 0.909 69 A CB 0.014 19.123 19.000 0.182 0.000 1.144 69 A HN 0.996 nan 8.150 nan 0.000 0.540 70 R N 0.840 121.447 120.500 0.179 0.000 3.343 70 R HA 0.522 4.862 4.340 0.000 0.000 0.282 70 R C -1.335 175.073 176.300 0.179 0.000 0.974 70 R CA -0.788 55.379 56.100 0.112 0.000 0.857 70 R CB 0.092 30.446 30.300 0.091 0.000 1.322 70 R HN 1.287 nan 8.270 nan 0.000 0.537 71 F N -1.595 118.403 119.950 0.080 0.000 2.703 71 F HA 0.638 5.165 4.527 0.000 0.000 0.308 71 F C -1.704 174.173 175.800 0.127 0.000 1.126 71 F CA -1.219 56.777 58.000 -0.007 0.000 0.959 71 F CB 1.763 40.644 39.000 -0.198 0.000 1.297 71 F HN 0.508 nan 8.300 nan 0.000 0.441 72 K N 2.146 122.757 120.400 0.352 0.000 2.185 72 K HA 0.677 4.997 4.320 0.000 0.000 0.269 72 K C -1.730 175.136 176.600 0.444 0.000 0.987 72 K CA -0.991 55.484 56.287 0.314 0.000 0.865 72 K CB 2.174 34.779 32.500 0.175 0.000 1.090 72 K HN 0.698 nan 8.250 nan 0.000 0.450 73 L N 3.176 124.687 121.223 0.479 0.000 2.333 73 L HA 0.417 4.757 4.340 0.000 0.000 0.280 73 L C -0.898 176.138 176.870 0.277 0.000 1.004 73 L CA -0.355 54.744 54.840 0.431 0.000 0.820 73 L CB 1.450 43.863 42.059 0.590 0.000 1.247 73 L HN 0.540 nan 8.230 nan 0.000 0.416 74 R N 5.752 126.376 120.500 0.207 0.000 2.338 74 R HA 0.714 5.054 4.340 0.000 0.000 0.317 74 R C -1.487 174.885 176.300 0.120 0.000 0.968 74 R CA -0.501 55.722 56.100 0.206 0.000 0.849 74 R CB 0.826 31.331 30.300 0.341 0.000 1.128 74 R HN 0.780 nan 8.270 nan 0.000 0.448 75 I N 3.612 124.256 120.570 0.123 0.000 2.466 75 I HA 0.280 4.450 4.170 0.000 0.000 0.289 75 I C -0.583 175.590 176.117 0.093 0.000 1.026 75 I CA -0.709 60.626 61.300 0.058 0.000 1.078 75 I CB 2.103 40.113 38.000 0.017 0.000 1.249 75 I HN 0.515 nan 8.210 nan 0.000 0.429 76 Q N 5.028 124.902 119.800 0.124 0.000 2.353 76 Q HA 0.649 4.989 4.340 0.000 0.000 0.268 76 Q C -0.937 175.087 176.000 0.039 0.000 1.045 76 Q CA -0.525 55.347 55.803 0.114 0.000 0.811 76 Q CB 2.498 31.366 28.738 0.217 0.000 1.305 76 Q HN 0.831 nan 8.270 nan 0.000 0.447 77 T N -0.823 113.725 114.554 -0.010 0.000 2.831 77 T HA 0.525 4.875 4.350 0.000 0.000 0.287 77 T C -0.258 174.469 174.700 0.045 0.000 1.070 77 T CA -0.734 61.346 62.100 -0.034 0.000 1.010 77 T CB 1.321 70.034 68.868 -0.260 0.000 1.264 77 T HN 0.469 nan 8.240 nan 0.000 0.532 78 T N 1.582 116.208 114.554 0.120 0.000 2.901 78 T HA 0.269 4.619 4.350 0.000 0.000 0.301 78 T C 0.373 175.153 174.700 0.134 0.000 1.012 78 T CA -0.535 61.644 62.100 0.132 0.000 1.135 78 T CB 0.501 69.466 68.868 0.162 0.000 0.936 78 T HN 0.827 nan 8.240 nan 0.000 0.539 79 E N 1.373 121.627 120.200 0.090 0.000 2.604 79 E HA 0.123 4.473 4.350 0.000 0.000 0.267 79 E C 1.331 177.991 176.600 0.102 0.000 0.970 79 E CA 0.903 57.350 56.400 0.078 0.000 0.956 79 E CB -0.308 29.424 29.700 0.054 0.000 0.939 79 E HN 0.982 nan 8.360 nan 0.000 0.465 80 G N 3.401 112.258 108.800 0.095 0.000 2.148 80 G HA2 -0.330 3.630 3.960 0.000 0.000 0.254 80 G HA3 -0.330 3.630 3.960 0.000 0.000 0.254 80 G C -0.378 174.624 174.900 0.170 0.000 0.981 80 G CA 0.542 45.702 45.100 0.100 0.000 0.670 80 G HN 0.656 nan 8.290 nan 0.000 0.528 81 Y N 0.971 121.283 120.300 0.020 0.000 2.402 81 Y HA 0.460 5.010 4.550 0.000 0.000 0.325 81 Y C -0.472 175.442 175.900 0.024 0.000 1.009 81 Y CA -1.319 56.793 58.100 0.021 0.000 1.278 81 Y CB 1.137 39.611 38.460 0.022 0.000 1.105 81 Y HN 0.116 nan 8.280 nan 0.000 0.476 82 D N 8.770 129.284 120.400 0.191 0.000 2.401 82 D HA 0.021 4.661 4.640 0.000 0.000 0.254 82 D C -1.608 174.574 176.300 -0.196 0.000 1.192 82 D CA -1.587 52.415 54.000 0.004 0.000 0.885 82 D CB 1.859 42.690 40.800 0.053 0.000 1.147 82 D HN 0.377 nan 8.370 nan 0.000 0.478 83 P HA -0.152 nan 4.420 nan 0.000 0.218 83 P C 0.961 178.178 177.300 -0.139 0.000 1.149 83 P CA 1.010 63.934 63.100 -0.294 0.000 0.817 83 P CB 0.441 32.039 31.700 -0.169 0.000 0.785 84 K N -0.056 120.307 120.400 -0.062 0.000 2.044 84 K HA -0.181 4.139 4.320 0.000 0.000 0.210 84 K C 1.981 178.586 176.600 0.009 0.000 1.049 84 K CA 1.725 58.004 56.287 -0.014 0.000 0.927 84 K CB -0.590 31.908 32.500 -0.004 0.000 0.713 84 K HN 0.137 nan 8.250 nan 0.000 0.443 85 D N 0.600 121.018 120.400 0.030 0.000 2.087 85 D HA -0.182 4.458 4.640 0.000 0.000 0.192 85 D C 2.006 178.372 176.300 0.111 0.000 0.993 85 D CA 1.623 55.688 54.000 0.108 0.000 0.828 85 D CB -0.335 40.611 40.800 0.242 0.000 0.968 85 D HN 0.217 nan 8.370 nan 0.000 0.448 86 A N 1.087 123.931 122.820 0.040 0.000 1.915 86 A HA -0.241 4.079 4.320 0.000 0.000 0.220 86 A C 2.228 179.839 177.584 0.045 0.000 1.198 86 A CA 1.688 53.751 52.037 0.042 0.000 0.647 86 A CB -0.964 17.913 19.000 -0.204 0.000 0.825 86 A HN 0.281 nan 8.150 nan 0.000 0.456 87 L N -0.305 120.932 121.223 0.023 0.000 1.990 87 L HA -0.208 4.132 4.340 0.000 0.000 0.213 87 L C 2.250 179.163 176.870 0.071 0.000 1.072 87 L CA 2.540 57.416 54.840 0.059 0.000 0.755 87 L CB -0.717 41.387 42.059 0.076 0.000 0.889 87 L HN 0.420 nan 8.230 nan 0.000 0.432 88 K N -0.429 120.011 120.400 0.067 0.000 1.981 88 K HA -0.253 4.067 4.320 0.000 0.000 0.228 88 K C 1.880 178.519 176.600 0.065 0.000 1.050 88 K CA 1.998 58.325 56.287 0.065 0.000 1.001 88 K CB -0.602 31.936 32.500 0.062 0.000 0.738 88 K HN 0.430 nan 8.250 nan 0.000 0.447 89 N N 0.691 119.435 118.700 0.074 0.000 2.106 89 N HA -0.294 4.446 4.740 0.000 0.000 0.200 89 N C 1.820 177.363 175.510 0.055 0.000 1.014 89 N CA 1.950 55.041 53.050 0.067 0.000 0.891 89 N CB -0.806 37.735 38.487 0.090 0.000 1.069 89 N HN 0.365 nan 8.380 nan 0.000 0.490 90 A N 0.887 123.741 122.820 0.057 0.000 1.971 90 A HA -0.237 4.084 4.320 0.000 0.000 0.222 90 A C 2.777 180.380 177.584 0.032 0.000 1.182 90 A CA 1.940 54.000 52.037 0.038 0.000 0.649 90 A CB -1.066 17.952 19.000 0.031 0.000 0.818 90 A HN 0.557 nan 8.150 nan 0.000 0.458 91 C N -0.893 118.435 119.300 0.046 0.000 2.489 91 C HA -0.041 4.419 4.460 0.000 0.000 0.279 91 C C 2.636 177.647 174.990 0.035 0.000 1.266 91 C CA 0.692 59.738 59.018 0.046 0.000 1.707 91 C CB -1.521 26.259 27.740 0.066 0.000 2.059 91 C HN 0.662 nan 8.230 nan 0.000 0.481 92 N N 1.186 119.908 118.700 0.037 0.000 2.021 92 N HA -0.192 4.548 4.740 0.000 0.000 0.198 92 N C 1.944 177.467 175.510 0.023 0.000 1.041 92 N CA 1.945 55.013 53.050 0.030 0.000 0.862 92 N CB -0.802 37.704 38.487 0.031 0.000 1.048 92 N HN 0.491 nan 8.380 nan 0.000 0.427 93 S N 0.963 116.677 115.700 0.023 0.000 2.381 93 S HA -0.160 4.310 4.470 0.000 0.000 0.230 93 S C 2.106 176.712 174.600 0.009 0.000 1.052 93 S CA 1.158 59.368 58.200 0.016 0.000 1.068 93 S CB -0.341 62.868 63.200 0.016 0.000 0.918 93 S HN 0.261 nan 8.310 nan 0.000 0.448 94 I N 1.049 121.623 120.570 0.008 0.000 2.127 94 I HA -0.227 3.943 4.170 0.000 0.000 0.241 94 I C 2.253 178.372 176.117 0.003 0.000 1.075 94 I CA 1.653 62.953 61.300 0.001 0.000 1.334 94 I CB -0.539 37.461 38.000 -0.001 0.000 1.040 94 I HN 0.369 nan 8.210 nan 0.000 0.405 95 I N 0.816 121.392 120.570 0.010 0.000 2.069 95 I HA -0.360 3.810 4.170 0.000 0.000 0.237 95 I C 2.306 178.428 176.117 0.008 0.000 1.053 95 I CA 1.602 62.908 61.300 0.010 0.000 1.311 95 I CB -0.856 37.153 38.000 0.016 0.000 1.030 95 I HN 0.304 nan 8.210 nan 0.000 0.398 96 N N 1.308 120.015 118.700 0.011 0.000 2.111 96 N HA -0.240 4.500 4.740 0.000 0.000 0.197 96 N C 1.681 177.197 175.510 0.010 0.000 1.011 96 N CA 1.609 54.666 53.050 0.012 0.000 0.880 96 N CB -0.427 38.068 38.487 0.013 0.000 1.031 96 N HN 0.447 nan 8.380 nan 0.000 0.444 97 K N 0.438 120.842 120.400 0.006 0.000 2.026 97 K HA -0.019 4.301 4.320 0.000 0.000 0.208 97 K C 2.240 178.842 176.600 0.003 0.000 1.048 97 K CA 0.755 57.045 56.287 0.004 0.000 0.929 97 K CB -0.258 32.242 32.500 -0.001 0.000 0.713 97 K HN 0.150 nan 8.250 nan 0.000 0.439 98 L N 0.313 121.535 121.223 -0.002 0.000 1.994 98 L HA -0.140 4.200 4.340 0.000 0.000 0.208 98 L C 2.636 179.506 176.870 0.001 0.000 1.071 98 L CA 1.517 56.352 54.840 -0.008 0.000 0.745 98 L CB -1.132 40.918 42.059 -0.015 0.000 0.892 98 L HN 0.364 nan 8.230 nan 0.000 0.431 99 G N -0.316 108.488 108.800 0.006 0.000 2.545 99 G HA2 -0.350 3.610 3.960 0.000 0.000 0.222 99 G HA3 -0.350 3.610 3.960 0.000 0.000 0.222 99 G C 1.680 176.592 174.900 0.021 0.000 1.126 99 G CA 1.186 46.294 45.100 0.012 0.000 0.754 99 G HN 0.519 nan 8.290 nan 0.000 0.583 100 A N 0.284 123.116 122.820 0.021 0.000 1.854 100 A HA 0.202 4.522 4.320 0.000 0.000 0.214 100 A C 2.401 180.010 177.584 0.043 0.000 1.192 100 A CA 1.336 53.391 52.037 0.030 0.000 0.611 100 A CB -0.541 18.474 19.000 0.025 0.000 0.832 100 A HN 0.390 nan 8.150 nan 0.000 0.442 101 L N -0.117 121.126 121.223 0.035 0.000 2.013 101 L HA -0.276 4.064 4.340 0.000 0.000 0.212 101 L C 2.606 179.521 176.870 0.075 0.000 1.073 101 L CA 2.447 57.316 54.840 0.048 0.000 0.753 101 L CB -0.292 41.773 42.059 0.011 0.000 0.890 101 L HN 0.528 nan 8.230 nan 0.000 0.432 102 K N -1.122 119.302 120.400 0.040 0.000 2.044 102 K HA -0.227 4.093 4.320 0.000 0.000 0.210 102 K C 1.856 178.531 176.600 0.126 0.000 1.049 102 K CA 2.296 58.614 56.287 0.052 0.000 0.927 102 K CB -0.229 32.283 32.500 0.020 0.000 0.713 102 K HN 0.381 nan 8.250 nan 0.000 0.443 103 T N 1.331 115.942 114.554 0.094 0.000 2.612 103 T HA -0.091 4.260 4.350 0.000 0.000 0.259 103 T C 1.477 176.245 174.700 0.113 0.000 1.065 103 T CA 1.552 63.708 62.100 0.093 0.000 1.167 103 T CB -0.470 68.434 68.868 0.061 0.000 0.863 103 T HN 0.306 nan 8.240 nan 0.000 0.407 104 N N 0.704 119.464 118.700 0.101 0.000 2.586 104 N HA -0.043 4.697 4.740 0.000 0.000 0.191 104 N C 1.096 176.688 175.510 0.137 0.000 1.085 104 N CA 0.468 53.575 53.050 0.095 0.000 0.921 104 N CB -0.363 38.171 38.487 0.077 0.000 0.954 104 N HN 0.420 nan 8.380 nan 0.000 0.448 105 F N 1.205 121.175 119.950 0.033 0.000 2.208 105 F HA 0.117 4.644 4.527 0.000 0.000 0.282 105 F C 1.932 177.785 175.800 0.089 0.000 1.071 105 F CA 0.732 58.759 58.000 0.044 0.000 1.228 105 F CB -0.269 38.733 39.000 0.003 0.000 1.088 105 F HN -0.075 nan 8.300 nan 0.000 0.512 106 E N 0.018 120.319 120.200 0.168 0.000 2.187 106 E HA -0.227 4.123 4.350 0.000 0.000 0.199 106 E C 1.976 178.605 176.600 0.049 0.000 1.004 106 E CA 1.940 58.401 56.400 0.102 0.000 0.813 106 E CB -0.450 29.351 29.700 0.168 0.000 0.736 106 E HN 0.454 nan 8.360 nan 0.000 0.468 107 T N 1.349 115.922 114.554 0.031 0.000 2.607 107 T HA -0.199 4.151 4.350 0.000 0.000 0.267 107 T C 1.653 176.339 174.700 -0.023 0.000 1.049 107 T CA 1.346 63.454 62.100 0.013 0.000 1.162 107 T CB -0.207 68.671 68.868 0.017 0.000 0.863 107 T HN 0.171 nan 8.240 nan 0.000 0.424 108 E N -0.006 120.154 120.200 -0.065 0.000 2.106 108 E HA -0.113 4.237 4.350 0.000 0.000 0.192 108 E C 1.929 178.466 176.600 -0.106 0.000 0.984 108 E CA 0.560 56.905 56.400 -0.092 0.000 0.806 108 E CB -0.305 29.329 29.700 -0.109 0.000 0.750 108 E HN 0.664 nan 8.360 nan 0.000 0.458 109 W N 2.669 123.748 121.300 -0.369 0.000 2.332 109 W HA -0.171 4.489 4.660 0.000 0.000 0.321 109 W C 0.558 176.982 176.519 -0.157 0.000 1.219 109 W CA 1.033 58.185 57.345 -0.322 0.000 1.277 109 W CB -0.245 28.983 29.460 -0.386 0.000 1.161 109 W HN -0.027 nan 8.180 nan 0.000 0.476 110 N N 1.968 120.614 118.700 -0.091 0.000 2.961 110 N HA -0.100 4.640 4.740 0.000 0.000 0.319 110 N C -0.623 174.766 175.510 -0.202 0.000 1.277 110 N CA 1.187 54.149 53.050 -0.146 0.000 1.125 110 N CB -1.259 37.219 38.487 -0.016 0.000 1.406 110 N HN 0.336 nan 8.380 nan 0.000 0.572 111 L N -0.213 120.820 121.223 -0.317 0.000 2.363 111 L HA 0.204 4.544 4.340 0.000 0.000 0.266 111 L C -0.856 175.874 176.870 -0.234 0.000 1.494 111 L CA -0.604 54.100 54.840 -0.226 0.000 0.704 111 L CB 0.199 42.164 42.059 -0.156 0.000 0.916 111 L HN 0.052 nan 8.230 nan 0.000 0.527 112 Q N -0.463 119.188 119.800 -0.250 0.000 2.960 112 Q HA 0.574 4.914 4.340 0.000 0.000 0.206 112 Q C -1.299 174.595 176.000 -0.176 0.000 0.959 112 Q CA -0.525 55.157 55.803 -0.201 0.000 1.181 112 Q CB 1.502 30.109 28.738 -0.218 0.000 1.778 112 Q HN 0.227 nan 8.270 nan 0.000 0.567 113 T N -0.124 114.361 114.554 -0.115 0.000 2.648 113 T HA 0.771 5.121 4.350 0.000 0.000 0.304 113 T C -0.501 174.167 174.700 -0.055 0.000 1.312 113 T CA -0.666 61.383 62.100 -0.085 0.000 1.023 113 T CB 1.306 70.128 68.868 -0.076 0.000 1.612 113 T HN 1.008 nan 8.240 nan 0.000 0.487 114 L N 0.000 121.198 121.223 -0.041 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 114 L CB 0.000 42.044 42.059 -0.025 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502