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 3hoy_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 0.000 176.283 176.300 -0.028 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.016 0.000 1.302 2 N N 0.943 119.619 118.700 -0.039 0.000 2.143 2 N HA 0.333 5.074 4.740 0.000 0.000 0.229 2 N C -0.186 175.283 175.510 -0.069 0.000 1.294 2 N CA 0.308 53.334 53.050 -0.040 0.000 0.883 2 N CB 1.572 40.045 38.487 -0.024 0.000 1.148 2 N HN 0.344 nan 8.380 nan 0.000 0.511 3 A N 2.960 125.731 122.820 -0.081 0.000 2.438 3 A HA 0.300 4.621 4.320 0.000 0.000 0.280 3 A C -1.631 175.875 177.584 -0.130 0.000 1.160 3 A CA -0.708 51.262 52.037 -0.112 0.000 0.821 3 A CB -0.316 18.626 19.000 -0.098 0.000 1.101 3 A HN 0.049 nan 8.150 nan 0.000 0.515 4 P HA 0.098 nan 4.420 nan 0.000 0.268 4 P C -0.757 176.371 177.300 -0.285 0.000 1.205 4 P CA -0.338 62.646 63.100 -0.194 0.000 0.771 4 P CB 0.632 32.231 31.700 -0.167 0.000 0.858 5 D N 3.266 123.407 120.400 -0.432 0.000 2.451 5 D HA -0.045 4.595 4.640 0.000 0.000 0.254 5 D C 1.660 177.499 176.300 -0.769 0.000 1.204 5 D CA 0.051 53.625 54.000 -0.711 0.000 0.896 5 D CB 0.679 40.647 40.800 -1.387 0.000 1.136 5 D HN 0.245 nan 8.370 nan 0.000 0.499 6 R N 2.437 122.665 120.500 -0.454 0.000 2.153 6 R HA -0.210 4.130 4.340 0.000 0.000 0.252 6 R C 1.971 177.997 176.300 -0.457 0.000 1.158 6 R CA 1.129 57.047 56.100 -0.304 0.000 0.975 6 R CB -0.635 29.607 30.300 -0.095 0.000 0.871 6 R HN 0.593 nan 8.270 nan 0.000 0.450 7 F N 0.534 120.259 119.950 -0.375 0.000 2.641 7 F HA 0.042 4.569 4.527 0.000 0.000 0.298 7 F C 1.321 176.634 175.800 -0.813 0.000 1.146 7 F CA 0.293 57.794 58.000 -0.831 0.000 1.464 7 F CB -0.682 38.122 39.000 -0.326 0.000 1.101 7 F HN -0.043 nan 8.300 nan 0.000 0.585 8 E N 1.039 120.896 120.200 -0.572 0.000 2.418 8 E HA -0.035 4.315 4.350 0.000 0.000 0.197 8 E C 2.008 178.448 176.600 -0.267 0.000 1.026 8 E CA 0.473 56.689 56.400 -0.306 0.000 0.862 8 E CB -0.183 29.322 29.700 -0.325 0.000 0.799 8 E HN 0.564 nan 8.360 nan 0.000 0.518 9 L N -0.134 120.863 121.223 -0.377 0.000 2.313 9 L HA -0.034 4.306 4.340 0.000 0.000 0.214 9 L C 1.676 178.539 176.870 -0.012 0.000 1.119 9 L CA 0.761 55.514 54.840 -0.146 0.000 0.809 9 L CB -0.236 41.799 42.059 -0.040 0.000 0.933 9 L HN 0.240 nan 8.230 nan 0.000 0.449 10 F N -2.524 117.483 119.950 0.095 0.000 2.876 10 F HA 0.391 4.918 4.527 0.000 0.000 0.344 10 F C 0.340 176.188 175.800 0.081 0.000 1.029 10 F CA -0.916 57.135 58.000 0.086 0.000 1.154 10 F CB -0.274 38.774 39.000 0.080 0.000 1.040 10 F HN -0.293 nan 8.300 nan 0.000 0.576 11 L N 3.087 124.411 121.223 0.168 0.000 2.272 11 L HA 0.446 4.786 4.340 0.000 0.000 0.289 11 L C -0.486 176.436 176.870 0.087 0.000 1.032 11 L CA -1.003 53.946 54.840 0.180 0.000 0.810 11 L CB 1.385 43.534 42.059 0.149 0.000 1.205 11 L HN -0.027 nan 8.230 nan 0.000 0.422 12 L N 2.754 124.017 121.223 0.067 0.000 2.485 12 L HA 0.192 4.532 4.340 0.000 0.000 0.275 12 L C 1.117 178.000 176.870 0.021 0.000 1.207 12 L CA 0.758 55.615 54.840 0.029 0.000 0.855 12 L CB 0.319 42.386 42.059 0.013 0.000 1.114 12 L HN 0.643 nan 8.230 nan 0.000 0.485 13 G N 1.282 110.086 108.800 0.006 0.000 2.543 13 G HA2 0.263 4.223 3.960 0.000 0.000 0.290 13 G HA3 0.263 4.223 3.960 0.000 0.000 0.290 13 G C -0.538 174.359 174.900 -0.005 0.000 1.310 13 G CA -0.701 44.404 45.100 0.007 0.000 1.025 13 G HN 0.647 nan 8.290 nan 0.000 0.502 14 E N -0.228 119.969 120.200 -0.006 0.000 2.694 14 E HA 0.245 4.595 4.350 0.000 0.000 0.250 14 E C 1.232 177.823 176.600 -0.016 0.000 0.963 14 E CA 0.984 57.378 56.400 -0.011 0.000 0.949 14 E CB 0.175 29.869 29.700 -0.010 0.000 0.911 14 E HN 0.920 nan 8.360 nan 0.000 0.500 15 G N 3.411 112.202 108.800 -0.016 0.000 2.321 15 G HA2 -0.334 3.626 3.960 0.000 0.000 0.287 15 G HA3 -0.334 3.626 3.960 0.000 0.000 0.287 15 G C -0.054 174.832 174.900 -0.023 0.000 1.018 15 G CA 0.538 45.627 45.100 -0.019 0.000 0.855 15 G HN 0.567 nan 8.290 nan 0.000 0.507 16 E N -0.514 119.671 120.200 -0.024 0.000 2.239 16 E HA 0.676 5.026 4.350 0.000 0.000 0.261 16 E C -0.289 176.290 176.600 -0.034 0.000 1.016 16 E CA -0.543 55.839 56.400 -0.030 0.000 0.882 16 E CB 1.438 31.120 29.700 -0.031 0.000 1.190 16 E HN 0.180 nan 8.360 nan 0.000 0.415 17 S N 0.896 116.568 115.700 -0.046 0.000 2.536 17 S HA 0.190 4.660 4.470 0.000 0.000 0.287 17 S C 0.546 175.096 174.600 -0.084 0.000 1.101 17 S CA -0.892 57.271 58.200 -0.060 0.000 0.950 17 S CB 1.882 65.042 63.200 -0.067 0.000 1.056 17 S HN 0.364 nan 8.310 nan 0.000 0.481 18 K N 1.099 121.444 120.400 -0.092 0.000 2.015 18 K HA -0.030 4.290 4.320 0.000 0.000 0.216 18 K C 0.511 176.968 176.600 -0.239 0.000 1.052 18 K CA 1.491 57.701 56.287 -0.128 0.000 0.937 18 K CB -0.332 32.095 32.500 -0.122 0.000 0.719 18 K HN 0.551 nan 8.250 nan 0.000 0.446 19 L N 0.514 121.576 121.223 -0.270 0.000 2.334 19 L HA 0.384 4.724 4.340 0.000 0.000 0.272 19 L C 0.051 176.802 176.870 -0.199 0.000 1.020 19 L CA -0.678 53.953 54.840 -0.350 0.000 0.812 19 L CB 1.609 43.426 42.059 -0.403 0.000 1.264 19 L HN -0.022 nan 8.230 nan 0.000 0.439 20 K N 2.873 123.169 120.400 -0.173 0.000 2.553 20 K HA 0.566 4.886 4.320 0.000 0.000 0.250 20 K C -1.828 174.730 176.600 -0.071 0.000 0.953 20 K CA -0.470 55.762 56.287 -0.093 0.000 0.800 20 K CB 2.165 34.628 32.500 -0.062 0.000 1.243 20 K HN 0.537 nan 8.250 nan 0.000 0.435 21 I N 3.500 124.041 120.570 -0.048 0.000 2.418 21 I HA 0.308 4.478 4.170 0.000 0.000 0.287 21 I C -0.948 175.166 176.117 -0.005 0.000 1.008 21 I CA -0.787 60.499 61.300 -0.022 0.000 1.104 21 I CB 1.859 39.842 38.000 -0.028 0.000 1.264 21 I HN 0.409 nan 8.210 nan 0.000 0.438 22 D N 7.897 128.304 120.400 0.012 0.000 2.498 22 D HA 0.353 4.993 4.640 0.000 0.000 0.247 22 D C -2.592 173.719 176.300 0.020 0.000 1.070 22 D CA -1.216 52.792 54.000 0.013 0.000 0.842 22 D CB 2.670 43.480 40.800 0.016 0.000 1.361 22 D HN 0.208 nan 8.370 nan 0.000 0.484 23 P HA 0.063 nan 4.420 nan 0.000 0.282 23 P C -0.309 176.999 177.300 0.012 0.000 1.262 23 P CA -0.306 62.802 63.100 0.013 0.000 0.773 23 P CB 1.162 32.866 31.700 0.007 0.000 0.879 24 D N 2.898 123.306 120.400 0.013 0.000 2.371 24 D HA 0.030 4.670 4.640 0.000 0.000 0.256 24 D C 0.966 177.263 176.300 -0.005 0.000 1.193 24 D CA 0.185 54.187 54.000 0.004 0.000 0.881 24 D CB 0.803 41.603 40.800 -0.000 0.000 1.143 24 D HN 0.259 nan 8.370 nan 0.000 0.473 25 T N 2.662 117.212 114.554 -0.007 0.000 2.978 25 T HA -0.077 4.273 4.350 0.000 0.000 0.262 25 T C 1.793 176.483 174.700 -0.017 0.000 1.063 25 T CA 0.248 62.343 62.100 -0.009 0.000 1.140 25 T CB 0.203 69.067 68.868 -0.007 0.000 0.886 25 T HN 0.339 nan 8.240 nan 0.000 0.470 26 K N 2.258 122.643 120.400 -0.024 0.000 2.071 26 K HA -0.056 4.264 4.320 0.000 0.000 0.217 26 K C 1.178 177.755 176.600 -0.039 0.000 1.054 26 K CA 1.597 57.863 56.287 -0.035 0.000 0.937 26 K CB -0.580 31.890 32.500 -0.051 0.000 0.719 26 K HN 0.546 nan 8.250 nan 0.000 0.454 27 A N 1.521 124.314 122.820 -0.045 0.000 2.380 27 A HA 0.494 4.815 4.320 0.000 0.000 0.315 27 A C -2.530 175.040 177.584 -0.023 0.000 1.101 27 A CA -1.631 50.381 52.037 -0.042 0.000 0.771 27 A CB 1.374 20.331 19.000 -0.070 0.000 1.287 27 A HN -0.054 nan 8.150 nan 0.000 0.436 28 P HA 0.043 nan 4.420 nan 0.000 0.275 28 P C -0.236 177.066 177.300 0.004 0.000 1.228 28 P CA -0.073 63.026 63.100 -0.002 0.000 0.786 28 P CB 0.495 32.196 31.700 0.003 0.000 0.927 29 N N 0.796 119.500 118.700 0.007 0.000 2.629 29 N HA -0.199 4.541 4.740 0.000 0.000 0.278 29 N C -1.283 174.232 175.510 0.008 0.000 1.102 29 N CA 1.082 54.137 53.050 0.008 0.000 0.759 29 N CB -1.095 37.401 38.487 0.016 0.000 0.911 29 N HN 0.700 nan 8.380 nan 0.000 0.553 30 A N 0.796 123.622 122.820 0.009 0.000 2.604 30 A HA 0.775 5.095 4.320 0.000 0.000 0.295 30 A C -0.795 176.806 177.584 0.028 0.000 1.067 30 A CA -0.282 51.769 52.037 0.024 0.000 0.683 30 A CB 2.054 21.064 19.000 0.015 0.000 1.281 30 A HN 0.338 nan 8.150 nan 0.000 0.407 31 V N -0.551 119.394 119.914 0.052 0.000 3.181 31 V HA 0.773 4.893 4.120 0.000 0.000 0.308 31 V C -0.833 175.315 176.094 0.090 0.000 1.214 31 V CA -0.827 61.506 62.300 0.055 0.000 1.053 31 V CB 1.996 33.844 31.823 0.042 0.000 1.069 31 V HN 1.003 nan 8.190 nan 0.000 0.441 32 V N 2.004 121.969 119.914 0.085 0.000 2.443 32 V HA 0.581 4.702 4.120 0.000 0.000 0.293 32 V C -0.625 175.540 176.094 0.117 0.000 1.021 32 V CA -0.302 62.068 62.300 0.117 0.000 0.848 32 V CB 1.407 33.286 31.823 0.095 0.000 0.998 32 V HN 0.687 nan 8.190 nan 0.000 0.424 33 I N 3.013 123.696 120.570 0.188 0.000 2.354 33 I HA 0.416 4.586 4.170 0.000 0.000 0.292 33 I C 0.240 176.514 176.117 0.263 0.000 0.989 33 I CA -0.182 61.227 61.300 0.181 0.000 1.188 33 I CB 1.976 40.128 38.000 0.253 0.000 1.342 33 I HN 0.487 nan 8.210 nan 0.000 0.457 34 T N 6.591 121.205 114.554 0.099 0.000 2.738 34 T HA 0.427 4.777 4.350 0.000 0.000 0.298 34 T C -0.424 174.265 174.700 -0.018 0.000 0.962 34 T CA -0.216 61.935 62.100 0.085 0.000 0.972 34 T CB -0.086 68.797 68.868 0.026 0.000 0.928 34 T HN 0.085 nan 8.240 nan 0.000 0.474 35 F N 3.010 122.693 119.950 -0.445 0.000 2.411 35 F HA 0.351 4.878 4.527 0.000 0.000 0.355 35 F C 1.043 176.629 175.800 -0.357 0.000 1.117 35 F CA -1.173 56.523 58.000 -0.507 0.000 1.139 35 F CB 0.720 39.102 39.000 -1.031 0.000 1.120 35 F HN 0.330 nan 8.300 nan 0.000 0.493 36 E N 3.849 124.006 120.200 -0.071 0.000 2.216 36 E HA 0.209 4.559 4.350 0.000 0.000 0.279 36 E C -0.344 176.266 176.600 0.018 0.000 0.997 36 E CA -0.645 55.738 56.400 -0.028 0.000 0.817 36 E CB 1.223 30.901 29.700 -0.037 0.000 1.096 36 E HN 0.330 nan 8.360 nan 0.000 0.393 37 K N 2.355 122.783 120.400 0.047 0.000 4.868 37 K HA -0.178 4.142 4.320 0.000 0.000 0.324 37 K C -0.500 176.183 176.600 0.139 0.000 0.971 37 K CA 0.735 57.077 56.287 0.092 0.000 1.034 37 K CB -1.080 31.477 32.500 0.095 0.000 1.672 37 K HN 0.565 nan 8.250 nan 0.000 0.426 38 E N 0.550 120.855 120.200 0.175 0.000 2.472 38 E HA 0.170 4.521 4.350 0.000 0.000 0.290 38 E C -0.517 176.289 176.600 0.343 0.000 1.059 38 E CA -0.492 56.062 56.400 0.257 0.000 0.861 38 E CB 1.468 31.343 29.700 0.292 0.000 1.213 38 E HN 0.406 nan 8.360 nan 0.000 0.425 39 D N -0.203 120.357 120.400 0.267 0.000 2.636 39 D HA 0.299 4.939 4.640 0.000 0.000 0.236 39 D C 1.262 177.540 176.300 -0.037 0.000 1.176 39 D CA -0.283 53.795 54.000 0.130 0.000 1.081 39 D CB 0.075 40.920 40.800 0.075 0.000 1.213 39 D HN 0.336 nan 8.370 nan 0.000 0.633 40 H N -0.320 118.776 119.070 0.044 0.000 2.289 40 H HA -0.138 4.418 4.556 0.000 0.000 0.296 40 H C 1.729 176.953 175.328 -0.173 0.000 1.091 40 H CA 2.255 58.259 56.048 -0.073 0.000 1.274 40 H CB -0.811 28.964 29.762 0.021 0.000 1.364 40 H HN 0.407 nan 8.280 nan 0.000 0.490 41 T N 1.262 115.855 114.554 0.066 0.000 2.656 41 T HA -0.246 4.104 4.350 0.000 0.000 0.262 41 T C 2.140 176.809 174.700 -0.052 0.000 1.070 41 T CA 2.026 64.133 62.100 0.011 0.000 1.160 41 T CB -0.528 68.368 68.868 0.046 0.000 0.855 41 T HN 0.225 nan 8.240 nan 0.000 0.456 42 L N -0.487 120.713 121.223 -0.038 0.000 2.554 42 L HA 0.326 4.666 4.340 0.000 0.000 0.225 42 L C 2.306 179.029 176.870 -0.244 0.000 1.104 42 L CA 0.524 55.343 54.840 -0.033 0.000 0.866 42 L CB -0.146 41.999 42.059 0.144 0.000 1.047 42 L HN 0.341 nan 8.230 nan 0.000 0.468 43 G N -0.303 108.099 108.800 -0.663 0.000 2.417 43 G HA2 -0.267 3.693 3.960 0.000 0.000 0.212 43 G HA3 -0.267 3.693 3.960 0.000 0.000 0.212 43 G C 1.231 175.237 174.900 -1.489 0.000 1.187 43 G CA 0.592 44.762 45.100 -1.552 0.000 0.804 43 G HN 0.398 nan 8.290 nan 0.000 0.534 44 N N -0.124 117.846 118.700 -1.217 0.000 2.381 44 N HA -0.041 4.699 4.740 0.000 0.000 0.182 44 N C 1.951 177.213 175.510 -0.413 0.000 1.025 44 N CA 0.632 53.227 53.050 -0.759 0.000 0.888 44 N CB -0.142 38.175 38.487 -0.284 0.000 0.965 44 N HN 0.234 nan 8.380 nan 0.000 0.438 45 L N 0.389 121.407 121.223 -0.342 0.000 2.034 45 L HA 0.177 4.517 4.340 0.000 0.000 0.203 45 L C 1.944 178.710 176.870 -0.174 0.000 1.074 45 L CA 1.322 56.046 54.840 -0.193 0.000 0.748 45 L CB -0.560 41.422 42.059 -0.129 0.000 0.905 45 L HN 0.213 nan 8.230 nan 0.000 0.439 46 I N -0.729 119.722 120.570 -0.198 0.000 2.454 46 I HA -0.251 3.919 4.170 0.000 0.000 0.254 46 I C 2.572 178.604 176.117 -0.143 0.000 1.156 46 I CA 0.681 61.910 61.300 -0.118 0.000 1.433 46 I CB -0.416 37.545 38.000 -0.065 0.000 1.082 46 I HN 0.323 nan 8.210 nan 0.000 0.432 47 R N 1.435 121.780 120.500 -0.258 0.000 2.073 47 R HA -0.088 4.252 4.340 0.000 0.000 0.229 47 R C 2.249 178.469 176.300 -0.133 0.000 1.120 47 R CA 1.668 57.650 56.100 -0.197 0.000 0.967 47 R CB -0.477 29.674 30.300 -0.249 0.000 0.862 47 R HN 0.329 nan 8.270 nan 0.000 0.436 48 A N 1.709 124.448 122.820 -0.135 0.000 1.834 48 A HA -0.181 4.139 4.320 0.000 0.000 0.216 48 A C 2.016 179.563 177.584 -0.062 0.000 1.203 48 A CA 1.580 53.563 52.037 -0.089 0.000 0.621 48 A CB -0.673 18.276 19.000 -0.084 0.000 0.841 48 A HN 0.313 nan 8.150 nan 0.000 0.446 49 E N -0.061 120.108 120.200 -0.052 0.000 2.068 49 E HA -0.243 4.107 4.350 0.000 0.000 0.207 49 E C 2.018 178.610 176.600 -0.014 0.000 1.032 49 E CA 1.438 57.823 56.400 -0.024 0.000 0.839 49 E CB -0.788 28.905 29.700 -0.012 0.000 0.758 49 E HN 0.617 nan 8.360 nan 0.000 0.457 50 L N 0.187 121.400 121.223 -0.017 0.000 2.211 50 L HA -0.237 4.103 4.340 0.000 0.000 0.216 50 L C 2.123 178.985 176.870 -0.015 0.000 1.092 50 L CA 0.528 55.364 54.840 -0.007 0.000 0.767 50 L CB -0.297 41.751 42.059 -0.020 0.000 0.894 50 L HN 0.126 nan 8.230 nan 0.000 0.437 51 L N -0.318 120.883 121.223 -0.036 0.000 2.650 51 L HA -0.050 4.290 4.340 0.000 0.000 0.235 51 L C 1.658 178.520 176.870 -0.014 0.000 1.149 51 L CA 1.059 55.876 54.840 -0.039 0.000 0.887 51 L CB -0.889 41.135 42.059 -0.059 0.000 1.021 51 L HN 0.282 nan 8.230 nan 0.000 0.441 52 N N -1.549 117.152 118.700 0.002 0.000 2.571 52 N HA -0.026 4.714 4.740 0.000 0.000 0.195 52 N C 0.430 175.959 175.510 0.032 0.000 1.040 52 N CA 0.086 53.144 53.050 0.012 0.000 0.890 52 N CB 0.071 38.563 38.487 0.009 0.000 1.233 52 N HN 0.176 nan 8.380 nan 0.000 0.435 53 D N 2.083 122.513 120.400 0.050 0.000 2.479 53 D HA -0.089 4.551 4.640 0.000 0.000 0.257 53 D C 0.960 177.316 176.300 0.093 0.000 1.230 53 D CA 0.234 54.288 54.000 0.090 0.000 0.912 53 D CB 0.532 41.418 40.800 0.143 0.000 1.130 53 D HN 0.076 nan 8.370 nan 0.000 0.515 54 R N 3.482 124.028 120.500 0.077 0.000 2.307 54 R HA -0.013 4.327 4.340 0.000 0.000 0.199 54 R C 1.182 177.546 176.300 0.107 0.000 1.000 54 R CA 0.369 56.512 56.100 0.071 0.000 1.023 54 R CB 0.231 30.559 30.300 0.046 0.000 0.908 54 R HN 0.298 nan 8.270 nan 0.000 0.473 55 K N 0.441 120.946 120.400 0.175 0.000 2.546 55 K HA 0.095 4.415 4.320 0.000 0.000 0.198 55 K C -0.691 176.073 176.600 0.273 0.000 1.028 55 K CA 0.012 56.460 56.287 0.269 0.000 1.150 55 K CB 0.675 33.386 32.500 0.351 0.000 0.876 55 K HN -0.048 nan 8.250 nan 0.000 0.508 56 V N 2.213 122.221 119.914 0.156 0.000 2.311 56 V HA 0.107 4.227 4.120 0.000 0.000 0.275 56 V C 0.995 177.134 176.094 0.074 0.000 1.022 56 V CA -0.197 62.148 62.300 0.075 0.000 0.830 56 V CB 1.306 33.155 31.823 0.044 0.000 1.012 56 V HN 0.260 nan 8.190 nan 0.000 0.452 57 L N 4.937 126.215 121.223 0.092 0.000 2.109 57 L HA 0.184 4.525 4.340 0.000 0.000 0.207 57 L C 0.421 177.405 176.870 0.190 0.000 1.086 57 L CA 1.485 56.397 54.840 0.121 0.000 0.760 57 L CB -0.010 42.120 42.059 0.118 0.000 0.910 57 L HN 0.550 nan 8.230 nan 0.000 0.437 58 F N -0.565 119.394 119.950 0.015 0.000 2.641 58 F HA 0.655 5.182 4.527 0.000 0.000 0.308 58 F C -1.490 174.323 175.800 0.022 0.000 1.105 58 F CA -0.780 57.231 58.000 0.019 0.000 0.964 58 F CB 1.554 40.564 39.000 0.018 0.000 1.294 58 F HN -0.304 nan 8.300 nan 0.000 0.442 59 A N 3.851 126.067 122.820 -1.007 0.000 2.511 59 A HA 0.841 5.161 4.320 0.000 0.000 0.292 59 A C -1.817 175.416 177.584 -0.586 0.000 1.045 59 A CA 0.178 51.889 52.037 -0.544 0.000 0.870 59 A CB 0.468 19.346 19.000 -0.204 0.000 1.361 59 A HN 1.830 nan 8.150 nan 0.000 0.396 60 A N 1.431 124.067 122.820 -0.308 0.000 2.552 60 A HA 1.076 5.396 4.320 0.000 0.000 0.288 60 A C -1.040 176.644 177.584 0.166 0.000 1.193 60 A CA -0.210 51.784 52.037 -0.071 0.000 0.713 60 A CB 1.216 20.200 19.000 -0.027 0.000 1.305 60 A HN 2.246 nan 8.150 nan 0.000 0.424 61 Y N -0.886 119.390 120.300 -0.041 0.000 2.641 61 Y HA 0.703 5.253 4.550 0.000 0.000 0.333 61 Y C -1.175 174.709 175.900 -0.027 0.000 1.174 61 Y CA -0.848 57.234 58.100 -0.029 0.000 1.057 61 Y CB 1.263 39.606 38.460 -0.195 0.000 1.322 61 Y HN 0.961 nan 8.280 nan 0.000 0.457 62 K N 1.339 121.466 120.400 -0.454 0.000 2.556 62 K HA 0.681 5.001 4.320 0.000 0.000 0.274 62 K C -1.754 174.740 176.600 -0.176 0.000 0.966 62 K CA -0.967 55.031 56.287 -0.480 0.000 0.865 62 K CB 2.704 35.089 32.500 -0.192 0.000 1.444 62 K HN 0.993 nan 8.250 nan 0.000 0.433 63 V N -0.079 119.744 119.914 -0.151 0.000 2.239 63 V HA 0.234 4.354 4.120 0.000 0.000 0.267 63 V C 1.036 177.140 176.094 0.016 0.000 1.056 63 V CA -0.498 61.796 62.300 -0.010 0.000 0.830 63 V CB 0.569 32.351 31.823 -0.069 0.000 1.090 63 V HN 0.886 nan 8.190 nan 0.000 0.459 64 E N 2.042 122.275 120.200 0.056 0.000 2.196 64 E HA -0.291 4.059 4.350 0.000 0.000 0.222 64 E C 0.507 177.136 176.600 0.048 0.000 1.072 64 E CA 2.761 59.193 56.400 0.052 0.000 0.902 64 E CB -0.055 29.698 29.700 0.089 0.000 0.780 64 E HN 1.019 nan 8.360 nan 0.000 0.467 65 H N -1.941 117.080 119.070 -0.081 0.000 3.038 65 H HA 0.122 4.678 4.556 0.000 0.000 0.362 65 H C -2.117 173.144 175.328 -0.111 0.000 1.167 65 H CA -1.172 54.759 56.048 -0.194 0.000 1.197 65 H CB 2.229 31.743 29.762 -0.414 0.000 1.840 65 H HN -0.260 nan 8.280 nan 0.000 0.540 66 P HA -0.122 nan 4.420 nan 0.000 0.219 66 P C 1.282 178.721 177.300 0.232 0.000 1.150 66 P CA 1.164 64.209 63.100 -0.093 0.000 0.814 66 P CB 0.155 31.772 31.700 -0.140 0.000 0.787 67 F N -0.543 119.463 119.950 0.094 0.000 2.192 67 F HA -0.103 4.424 4.527 0.000 0.000 0.301 67 F C 1.415 177.522 175.800 0.512 0.000 1.079 67 F CA 0.178 58.327 58.000 0.247 0.000 1.303 67 F CB -0.400 38.706 39.000 0.178 0.000 1.024 67 F HN -0.187 nan 8.300 nan 0.000 0.494 68 F N 0.022 120.186 119.950 0.357 0.000 2.410 68 F HA 0.399 4.926 4.527 0.000 0.000 0.349 68 F C 0.742 176.623 175.800 0.134 0.000 1.117 68 F CA -1.289 56.826 58.000 0.192 0.000 1.104 68 F CB 1.102 40.197 39.000 0.158 0.000 1.122 68 F HN -0.302 nan 8.300 nan 0.000 0.483 69 A N 5.203 128.181 122.820 0.263 0.000 2.711 69 A HA 0.178 4.498 4.320 0.000 0.000 0.242 69 A C 0.376 178.056 177.584 0.160 0.000 1.607 69 A CA -0.091 52.049 52.037 0.172 0.000 1.370 69 A CB -0.958 18.101 19.000 0.099 0.000 0.934 69 A HN 0.896 nan 8.150 nan 0.000 0.628 70 R N -1.502 119.115 120.500 0.196 0.000 2.795 70 R HA 0.854 5.194 4.340 0.000 0.000 0.268 70 R C -0.826 175.613 176.300 0.233 0.000 1.041 70 R CA -0.742 55.445 56.100 0.145 0.000 0.927 70 R CB 1.104 31.457 30.300 0.089 0.000 1.235 70 R HN 0.514 nan 8.270 nan 0.000 0.463 71 F N -2.068 117.961 119.950 0.132 0.000 2.741 71 F HA 0.634 5.161 4.527 0.000 0.000 0.313 71 F C -1.829 174.059 175.800 0.146 0.000 1.153 71 F CA -1.286 56.772 58.000 0.097 0.000 0.931 71 F CB 1.558 40.600 39.000 0.071 0.000 1.335 71 F HN 0.424 nan 8.300 nan 0.000 0.460 72 K N 1.464 122.152 120.400 0.480 0.000 2.259 72 K HA 0.742 5.062 4.320 0.000 0.000 0.249 72 K C -2.010 174.875 176.600 0.474 0.000 0.942 72 K CA -1.053 55.450 56.287 0.360 0.000 0.816 72 K CB 2.730 35.362 32.500 0.221 0.000 1.155 72 K HN 0.708 nan 8.250 nan 0.000 0.428 73 L N 2.002 123.464 121.223 0.399 0.000 2.381 73 L HA 0.445 4.785 4.340 0.000 0.000 0.274 73 L C -1.085 175.952 176.870 0.279 0.000 0.988 73 L CA -0.368 54.679 54.840 0.345 0.000 0.824 73 L CB 1.653 43.911 42.059 0.332 0.000 1.263 73 L HN 0.571 nan 8.230 nan 0.000 0.410 74 R N 5.487 126.144 120.500 0.262 0.000 2.387 74 R HA 0.741 5.081 4.340 0.000 0.000 0.314 74 R C -1.519 174.949 176.300 0.280 0.000 0.958 74 R CA -0.518 55.746 56.100 0.273 0.000 0.846 74 R CB 0.993 31.492 30.300 0.332 0.000 1.147 74 R HN 0.762 nan 8.270 nan 0.000 0.447 75 I N 3.154 123.851 120.570 0.211 0.000 2.509 75 I HA 0.327 4.497 4.170 0.000 0.000 0.293 75 I C -0.655 175.546 176.117 0.140 0.000 1.020 75 I CA -0.745 60.648 61.300 0.155 0.000 1.088 75 I CB 2.221 40.267 38.000 0.077 0.000 1.267 75 I HN 0.534 nan 8.210 nan 0.000 0.430 76 Q N 4.559 124.449 119.800 0.151 0.000 2.331 76 Q HA 0.621 4.961 4.340 0.000 0.000 0.272 76 Q C -1.346 174.681 176.000 0.045 0.000 1.062 76 Q CA -0.582 55.282 55.803 0.102 0.000 0.806 76 Q CB 2.646 31.478 28.738 0.157 0.000 1.312 76 Q HN 0.815 nan 8.270 nan 0.000 0.431 77 T N -0.933 113.613 114.554 -0.013 0.000 2.916 77 T HA 0.505 4.855 4.350 0.000 0.000 0.292 77 T C -0.045 174.687 174.700 0.054 0.000 1.064 77 T CA -0.613 61.471 62.100 -0.026 0.000 1.011 77 T CB 1.315 70.020 68.868 -0.273 0.000 1.152 77 T HN 0.630 nan 8.240 nan 0.000 0.510 78 T N -0.172 114.459 114.554 0.129 0.000 2.829 78 T HA 0.195 4.545 4.350 0.000 0.000 0.293 78 T C 0.389 175.169 174.700 0.134 0.000 0.970 78 T CA -0.489 61.689 62.100 0.129 0.000 1.168 78 T CB -0.136 68.821 68.868 0.148 0.000 0.911 78 T HN 0.985 nan 8.240 nan 0.000 0.535 79 E N 2.597 122.850 120.200 0.088 0.000 2.785 79 E HA 0.055 4.405 4.350 0.000 0.000 0.285 79 E C 1.578 178.240 176.600 0.103 0.000 1.006 79 E CA 1.241 57.688 56.400 0.078 0.000 0.996 79 E CB -0.728 29.005 29.700 0.054 0.000 1.025 79 E HN 1.130 nan 8.360 nan 0.000 0.467 80 G N 3.068 111.923 108.800 0.091 0.000 2.708 80 G HA2 -0.394 3.566 3.960 0.000 0.000 0.229 80 G HA3 -0.394 3.566 3.960 0.000 0.000 0.229 80 G C 0.084 175.082 174.900 0.162 0.000 1.236 80 G CA 0.381 45.540 45.100 0.098 0.000 0.749 80 G HN 0.796 nan 8.290 nan 0.000 0.515 81 Y N 3.354 123.667 120.300 0.022 0.000 2.496 81 Y HA 0.399 4.949 4.550 0.000 0.000 0.334 81 Y C 0.124 176.041 175.900 0.027 0.000 1.080 81 Y CA -0.358 57.756 58.100 0.024 0.000 1.355 81 Y CB 0.508 38.983 38.460 0.026 0.000 1.193 81 Y HN 0.312 nan 8.280 nan 0.000 0.523 82 D N 9.466 129.996 120.400 0.217 0.000 2.277 82 D HA 0.087 4.727 4.640 0.000 0.000 0.249 82 D C -1.763 174.400 176.300 -0.228 0.000 1.134 82 D CA -2.134 51.863 54.000 -0.006 0.000 0.863 82 D CB 1.975 42.805 40.800 0.051 0.000 1.143 82 D HN 0.373 nan 8.370 nan 0.000 0.458 83 P HA -0.169 nan 4.420 nan 0.000 0.216 83 P C 0.953 178.176 177.300 -0.129 0.000 1.150 83 P CA 1.128 64.075 63.100 -0.256 0.000 0.837 83 P CB 0.448 32.072 31.700 -0.126 0.000 0.786 84 K N -0.199 120.167 120.400 -0.056 0.000 2.113 84 K HA -0.166 4.154 4.320 0.000 0.000 0.208 84 K C 1.936 178.540 176.600 0.006 0.000 1.047 84 K CA 1.671 57.950 56.287 -0.012 0.000 0.928 84 K CB -0.485 32.014 32.500 -0.003 0.000 0.716 84 K HN 0.234 nan 8.250 nan 0.000 0.446 85 D N 0.656 121.067 120.400 0.020 0.000 2.084 85 D HA -0.115 4.526 4.640 0.000 0.000 0.196 85 D C 2.049 178.409 176.300 0.100 0.000 0.985 85 D CA 1.292 55.350 54.000 0.096 0.000 0.826 85 D CB -0.198 40.732 40.800 0.216 0.000 0.978 85 D HN 0.181 nan 8.370 nan 0.000 0.456 86 A N 1.444 124.266 122.820 0.004 0.000 1.940 86 A HA -0.234 4.086 4.320 0.000 0.000 0.221 86 A C 2.204 179.814 177.584 0.044 0.000 1.190 86 A CA 1.528 53.569 52.037 0.006 0.000 0.647 86 A CB -0.861 17.967 19.000 -0.286 0.000 0.821 86 A HN 0.262 nan 8.150 nan 0.000 0.457 87 L N -0.527 120.712 121.223 0.027 0.000 2.027 87 L HA -0.113 4.227 4.340 0.000 0.000 0.206 87 L C 2.214 179.127 176.870 0.072 0.000 1.074 87 L CA 2.391 57.270 54.840 0.065 0.000 0.745 87 L CB -0.631 41.478 42.059 0.083 0.000 0.898 87 L HN 0.364 nan 8.230 nan 0.000 0.433 88 K N -0.406 120.031 120.400 0.062 0.000 2.032 88 K HA -0.186 4.134 4.320 0.000 0.000 0.209 88 K C 1.939 178.577 176.600 0.064 0.000 1.048 88 K CA 1.665 57.987 56.287 0.058 0.000 0.927 88 K CB -0.238 32.294 32.500 0.053 0.000 0.712 88 K HN 0.469 nan 8.250 nan 0.000 0.441 89 N N 0.838 119.587 118.700 0.081 0.000 2.004 89 N HA -0.194 4.546 4.740 0.000 0.000 0.196 89 N C 1.876 177.425 175.510 0.064 0.000 1.064 89 N CA 1.552 54.650 53.050 0.079 0.000 0.855 89 N CB -0.745 37.810 38.487 0.114 0.000 1.056 89 N HN 0.173 nan 8.380 nan 0.000 0.423 90 A N 1.017 123.878 122.820 0.068 0.000 2.023 90 A HA -0.267 4.053 4.320 0.000 0.000 0.223 90 A C 2.775 180.385 177.584 0.043 0.000 1.180 90 A CA 1.879 53.946 52.037 0.049 0.000 0.659 90 A CB -1.280 17.746 19.000 0.044 0.000 0.817 90 A HN 0.523 nan 8.150 nan 0.000 0.466 91 C N -0.833 118.500 119.300 0.054 0.000 2.473 91 C HA -0.082 4.378 4.460 0.000 0.000 0.279 91 C C 2.742 177.755 174.990 0.040 0.000 1.250 91 C CA 1.070 60.120 59.018 0.053 0.000 1.713 91 C CB -1.414 26.365 27.740 0.064 0.000 2.066 91 C HN 0.707 nan 8.230 nan 0.000 0.474 92 N N 0.828 119.551 118.700 0.039 0.000 2.036 92 N HA -0.157 4.583 4.740 0.000 0.000 0.195 92 N C 1.923 177.448 175.510 0.025 0.000 1.037 92 N CA 1.813 54.882 53.050 0.030 0.000 0.855 92 N CB -0.936 37.569 38.487 0.031 0.000 1.033 92 N HN 0.555 nan 8.380 nan 0.000 0.423 93 S N 1.276 116.992 115.700 0.027 0.000 2.380 93 S HA -0.163 4.308 4.470 0.000 0.000 0.229 93 S C 2.097 176.706 174.600 0.015 0.000 1.050 93 S CA 1.160 59.372 58.200 0.020 0.000 1.100 93 S CB -0.460 62.753 63.200 0.021 0.000 0.984 93 S HN 0.274 nan 8.310 nan 0.000 0.434 94 I N 1.318 121.896 120.570 0.014 0.000 2.113 94 I HA -0.276 3.894 4.170 0.000 0.000 0.242 94 I C 2.353 178.474 176.117 0.008 0.000 1.057 94 I CA 2.120 63.425 61.300 0.007 0.000 1.314 94 I CB -0.605 37.400 38.000 0.008 0.000 1.022 94 I HN 0.424 nan 8.210 nan 0.000 0.408 95 I N 0.588 121.166 120.570 0.013 0.000 2.127 95 I HA -0.325 3.845 4.170 0.000 0.000 0.241 95 I C 2.314 178.438 176.117 0.011 0.000 1.075 95 I CA 1.472 62.779 61.300 0.011 0.000 1.334 95 I CB -0.800 37.209 38.000 0.015 0.000 1.040 95 I HN 0.333 nan 8.210 nan 0.000 0.405 96 N N 1.697 120.404 118.700 0.013 0.000 2.021 96 N HA -0.226 4.514 4.740 0.000 0.000 0.198 96 N C 1.714 177.231 175.510 0.012 0.000 1.041 96 N CA 1.593 54.651 53.050 0.013 0.000 0.862 96 N CB -0.563 37.932 38.487 0.013 0.000 1.048 96 N HN 0.391 nan 8.380 nan 0.000 0.427 97 K N 0.654 121.060 120.400 0.010 0.000 2.113 97 K HA -0.078 4.242 4.320 0.000 0.000 0.208 97 K C 2.149 178.753 176.600 0.007 0.000 1.047 97 K CA 0.844 57.136 56.287 0.008 0.000 0.928 97 K CB -0.252 32.250 32.500 0.004 0.000 0.716 97 K HN 0.196 nan 8.250 nan 0.000 0.446 98 L N -0.226 120.999 121.223 0.004 0.000 2.109 98 L HA -0.085 4.255 4.340 0.000 0.000 0.207 98 L C 2.543 179.417 176.870 0.007 0.000 1.086 98 L CA 1.136 55.975 54.840 -0.000 0.000 0.760 98 L CB -0.745 41.311 42.059 -0.005 0.000 0.910 98 L HN 0.346 nan 8.230 nan 0.000 0.437 99 G N -0.210 108.597 108.800 0.011 0.000 2.414 99 G HA2 -0.240 3.720 3.960 0.000 0.000 0.215 99 G HA3 -0.240 3.720 3.960 0.000 0.000 0.215 99 G C 1.795 176.710 174.900 0.026 0.000 1.188 99 G CA 0.820 45.930 45.100 0.017 0.000 0.783 99 G HN 0.436 nan 8.290 nan 0.000 0.537 100 A N 0.780 123.615 122.820 0.024 0.000 1.859 100 A HA -0.101 4.219 4.320 0.000 0.000 0.217 100 A C 2.436 180.045 177.584 0.043 0.000 1.198 100 A CA 1.841 53.897 52.037 0.031 0.000 0.629 100 A CB -0.798 18.217 19.000 0.025 0.000 0.830 100 A HN 0.475 nan 8.150 nan 0.000 0.446 101 L N -0.201 121.044 121.223 0.037 0.000 1.997 101 L HA -0.303 4.037 4.340 0.000 0.000 0.216 101 L C 2.568 179.486 176.870 0.080 0.000 1.074 101 L CA 2.832 57.701 54.840 0.048 0.000 0.763 101 L CB -0.377 41.691 42.059 0.015 0.000 0.890 101 L HN 0.584 nan 8.230 nan 0.000 0.434 102 K N -1.139 119.295 120.400 0.057 0.000 1.987 102 K HA -0.240 4.080 4.320 0.000 0.000 0.216 102 K C 1.865 178.540 176.600 0.126 0.000 1.051 102 K CA 2.523 58.860 56.287 0.083 0.000 0.942 102 K CB -0.556 31.972 32.500 0.046 0.000 0.722 102 K HN 0.401 nan 8.250 nan 0.000 0.444 103 T N 1.264 115.868 114.554 0.083 0.000 2.493 103 T HA -0.235 4.115 4.350 0.000 0.000 0.256 103 T C 1.554 176.310 174.700 0.094 0.000 1.195 103 T CA 2.394 64.539 62.100 0.075 0.000 1.183 103 T CB -0.892 68.007 68.868 0.052 0.000 0.863 103 T HN 0.438 nan 8.240 nan 0.000 0.418 104 N N 0.520 119.276 118.700 0.093 0.000 2.182 104 N HA -0.124 4.616 4.740 0.000 0.000 0.192 104 N C 1.388 176.980 175.510 0.137 0.000 1.007 104 N CA 1.142 54.251 53.050 0.097 0.000 0.873 104 N CB -0.423 38.120 38.487 0.094 0.000 0.998 104 N HN 0.403 nan 8.380 nan 0.000 0.436 105 F N 1.074 121.049 119.950 0.042 0.000 2.367 105 F HA 0.081 4.608 4.527 0.000 0.000 0.298 105 F C 1.854 177.718 175.800 0.106 0.000 1.094 105 F CA 0.865 58.899 58.000 0.058 0.000 1.409 105 F CB 0.107 39.114 39.000 0.010 0.000 1.064 105 F HN 0.032 nan 8.300 nan 0.000 0.528 106 E N -0.761 119.467 120.200 0.047 0.000 2.060 106 E HA -0.110 4.240 4.350 0.000 0.000 0.189 106 E C 2.109 178.729 176.600 0.034 0.000 0.974 106 E CA 1.429 57.844 56.400 0.025 0.000 0.808 106 E CB -0.366 29.383 29.700 0.081 0.000 0.768 106 E HN 0.219 nan 8.360 nan 0.000 0.453 107 T N 1.337 115.908 114.554 0.028 0.000 2.570 107 T HA -0.212 4.138 4.350 0.000 0.000 0.266 107 T C 1.706 176.398 174.700 -0.013 0.000 1.071 107 T CA 1.384 63.493 62.100 0.014 0.000 1.172 107 T CB -0.247 68.633 68.868 0.020 0.000 0.864 107 T HN 0.093 nan 8.240 nan 0.000 0.421 108 E N -0.096 120.086 120.200 -0.030 0.000 2.160 108 E HA -0.133 4.217 4.350 0.000 0.000 0.195 108 E C 1.860 178.405 176.600 -0.091 0.000 0.991 108 E CA 0.728 57.094 56.400 -0.056 0.000 0.810 108 E CB -0.245 29.431 29.700 -0.041 0.000 0.742 108 E HN 0.688 nan 8.360 nan 0.000 0.466 109 W N 1.652 122.741 121.300 -0.353 0.000 2.407 109 W HA -0.157 4.503 4.660 0.000 0.000 0.305 109 W C 1.501 177.907 176.519 -0.189 0.000 1.196 109 W CA 0.938 58.065 57.345 -0.363 0.000 1.311 109 W CB -0.233 28.926 29.460 -0.501 0.000 1.135 109 W HN 0.051 nan 8.180 nan 0.000 0.514 110 N N 1.515 120.160 118.700 -0.091 0.000 2.061 110 N HA -0.205 4.535 4.740 0.000 0.000 0.193 110 N C 1.451 176.830 175.510 -0.219 0.000 1.030 110 N CA 1.901 54.862 53.050 -0.149 0.000 0.856 110 N CB -1.121 37.346 38.487 -0.035 0.000 1.023 110 N HN 0.266 nan 8.380 nan 0.000 0.424 111 L N 1.173 122.295 121.223 -0.169 0.000 3.168 111 L HA 0.057 4.398 4.340 0.000 0.000 0.253 111 L C 0.298 177.040 176.870 -0.213 0.000 1.384 111 L CA 0.368 55.117 54.840 -0.152 0.000 1.131 111 L CB -0.648 41.352 42.059 -0.099 0.000 1.552 111 L HN 0.032 nan 8.230 nan 0.000 0.431 112 Q N 0.177 119.784 119.800 -0.323 0.000 2.496 112 Q HA 0.623 4.963 4.340 0.000 0.000 0.286 112 Q C -0.539 175.270 176.000 -0.317 0.000 1.103 112 Q CA -0.389 55.187 55.803 -0.378 0.000 0.813 112 Q CB 2.875 31.209 28.738 -0.675 0.000 1.444 112 Q HN 0.062 nan 8.270 nan 0.000 0.443 113 T N 0.913 115.310 114.554 -0.261 0.000 2.991 113 T HA 0.738 5.088 4.350 0.000 0.000 0.303 113 T C -0.461 174.141 174.700 -0.163 0.000 1.015 113 T CA -0.449 61.541 62.100 -0.184 0.000 1.007 113 T CB 0.811 69.607 68.868 -0.120 0.000 1.034 113 T HN 0.552 nan 8.240 nan 0.000 0.446 114 L N 0.000 121.141 121.223 -0.137 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.790 54.840 -0.083 0.000 0.813 114 L CB 0.000 42.020 42.059 -0.064 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502