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 3o3w_1_H DATA FIRST_RESID 17 DATA SEQUENCE NPNEAYRHYX KKLSYETDIA DLSIDIKKGY EGIIVVDVRD AEAYKECHIP DATA SEQUENCE TAISIPGNKI NEDTTKRLSK EKVIITYcWG PAcNGATKAA AKFAQLGFRV DATA SEQUENCE KELIGGIEYW RKENGL 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 17 N HA 0.000 nan 4.740 nan 0.000 0.220 17 N C 0.000 175.546 175.510 0.060 0.000 1.280 17 N CA 0.000 53.072 53.050 0.036 0.000 0.885 17 N CB 0.000 38.504 38.487 0.028 0.000 1.341 18 P HA -0.178 nan 4.420 nan 0.000 0.217 18 P C 0.558 177.933 177.300 0.125 0.000 1.158 18 P CA 1.583 64.737 63.100 0.090 0.000 0.887 18 P CB 0.185 31.915 31.700 0.051 0.000 0.792 19 N N -1.067 117.692 118.700 0.098 0.000 2.120 19 N HA -0.152 4.557 4.740 -0.052 0.000 0.188 19 N C 1.724 177.325 175.510 0.151 0.000 1.024 19 N CA 1.089 54.217 53.050 0.130 0.000 0.852 19 N CB -0.649 37.888 38.487 0.084 0.000 1.003 19 N HN 0.318 nan 8.380 nan 0.000 0.424 20 E N 0.302 120.559 120.200 0.095 0.000 2.058 20 E HA -0.173 4.146 4.350 -0.052 0.000 0.194 20 E C 1.813 178.451 176.600 0.063 0.000 0.997 20 E CA 1.157 57.594 56.400 0.062 0.000 0.801 20 E CB -0.083 29.630 29.700 0.022 0.000 0.746 20 E HN 0.380 nan 8.360 nan 0.000 0.450 21 A N 0.453 123.325 122.820 0.086 0.000 1.877 21 A HA -0.225 4.064 4.320 -0.052 0.000 0.216 21 A C 2.078 179.792 177.584 0.216 0.000 1.186 21 A CA 1.612 53.697 52.037 0.081 0.000 0.620 21 A CB -1.090 18.063 19.000 0.255 0.000 0.822 21 A HN 0.564 nan 8.150 nan 0.000 0.443 22 Y N 0.737 121.145 120.300 0.179 0.000 2.081 22 Y HA -0.273 4.245 4.550 -0.053 0.000 0.280 22 Y C 2.534 178.512 175.900 0.130 0.000 1.163 22 Y CA 2.268 60.482 58.100 0.191 0.000 1.135 22 Y CB -0.457 38.072 38.460 0.115 0.000 0.970 22 Y HN 0.281 nan 8.280 nan 0.000 0.498 23 R N -1.469 119.047 120.500 0.026 0.000 2.096 23 R HA -0.220 4.089 4.340 -0.052 0.000 0.235 23 R C 2.176 178.421 176.300 -0.091 0.000 1.127 23 R CA 1.564 57.614 56.100 -0.083 0.000 0.968 23 R CB -0.669 29.641 30.300 0.017 0.000 0.861 23 R HN 0.516 nan 8.270 nan 0.000 0.440 24 H N -0.146 118.827 119.070 -0.161 0.000 2.293 24 H HA -0.097 4.427 4.556 -0.053 0.000 0.300 24 H C 0.125 175.322 175.328 -0.218 0.000 1.082 24 H CA 1.350 57.261 56.048 -0.228 0.000 1.308 24 H CB -0.206 29.317 29.762 -0.398 0.000 1.375 24 H HN -0.014 nan 8.280 nan 0.000 0.495 28 K N 2.128 122.441 120.400 -0.144 0.000 2.044 28 K HA -0.060 4.229 4.320 -0.052 0.000 0.210 28 K C 1.859 178.457 176.600 -0.003 0.000 1.049 28 K CA 1.552 57.832 56.287 -0.012 0.000 0.927 28 K CB -0.112 32.310 32.500 -0.129 0.000 0.713 28 K HN 0.076 nan 8.250 nan 0.000 0.443 29 L N 1.016 122.206 121.223 -0.056 0.000 2.265 29 L HA -0.145 4.163 4.340 -0.052 0.000 0.215 29 L C 2.437 179.261 176.870 -0.077 0.000 1.117 29 L CA 1.368 56.185 54.840 -0.039 0.000 0.782 29 L CB -0.368 41.667 42.059 -0.041 0.000 0.914 29 L HN 0.366 nan 8.230 nan 0.000 0.441 30 S N -1.848 113.733 115.700 -0.199 0.000 2.527 30 S HA -0.061 4.378 4.470 -0.052 0.000 0.222 30 S C 1.613 176.087 174.600 -0.210 0.000 0.985 30 S CA 0.171 58.217 58.200 -0.257 0.000 0.921 30 S CB -0.210 62.741 63.200 -0.415 0.000 0.772 30 S HN 0.376 nan 8.310 nan 0.000 0.529 31 Y N 2.525 122.816 120.300 -0.014 0.000 2.503 31 Y HA 0.368 4.886 4.550 -0.053 0.000 0.277 31 Y C 1.092 176.998 175.900 0.010 0.000 1.102 31 Y CA -0.424 57.675 58.100 -0.002 0.000 1.261 31 Y CB 0.060 38.514 38.460 -0.010 0.000 1.096 31 Y HN 0.576 nan 8.280 nan 0.000 0.546 32 E N -0.963 119.332 120.200 0.158 0.000 2.359 32 E HA 0.559 4.878 4.350 -0.052 0.000 0.266 32 E C -0.926 175.721 176.600 0.079 0.000 0.920 32 E CA -0.953 55.513 56.400 0.111 0.000 0.788 32 E CB 2.611 32.376 29.700 0.108 0.000 1.279 32 E HN -0.097 nan 8.360 nan 0.000 0.438 33 T N 0.065 114.667 114.554 0.080 0.000 2.896 33 T HA 0.318 4.637 4.350 -0.052 0.000 0.297 33 T C -1.554 173.203 174.700 0.094 0.000 1.108 33 T CA -0.660 61.485 62.100 0.075 0.000 1.004 33 T CB 1.466 70.376 68.868 0.070 0.000 1.159 33 T HN 0.658 nan 8.240 nan 0.000 0.499 34 D N 2.656 123.113 120.400 0.095 0.000 2.494 34 D HA 0.310 4.918 4.640 -0.052 0.000 0.259 34 D C 1.586 177.970 176.300 0.139 0.000 1.109 34 D CA -0.815 53.256 54.000 0.119 0.000 1.040 34 D CB 0.482 41.340 40.800 0.096 0.000 1.175 34 D HN 0.343 nan 8.370 nan 0.000 0.584 35 I N 0.372 121.038 120.570 0.160 0.000 2.163 35 I HA -0.235 3.903 4.170 -0.052 0.000 0.243 35 I C 2.486 178.672 176.117 0.115 0.000 1.085 35 I CA 1.505 62.915 61.300 0.184 0.000 1.347 35 I CB -1.803 36.265 38.000 0.113 0.000 1.044 35 I HN 0.606 nan 8.210 nan 0.000 0.408 36 A N 1.234 124.084 122.820 0.051 0.000 1.841 36 A HA -0.252 4.036 4.320 -0.052 0.000 0.216 36 A C 2.030 179.645 177.584 0.052 0.000 1.199 36 A CA 2.349 54.398 52.037 0.021 0.000 0.621 36 A CB -0.930 18.073 19.000 0.005 0.000 0.835 36 A HN 0.370 nan 8.150 nan 0.000 0.445 37 D N -0.213 120.222 120.400 0.059 0.000 2.116 37 D HA -0.158 4.451 4.640 -0.052 0.000 0.193 37 D C 1.863 178.217 176.300 0.089 0.000 0.998 37 D CA 1.067 55.102 54.000 0.058 0.000 0.836 37 D CB -0.426 40.403 40.800 0.049 0.000 0.951 37 D HN 0.294 nan 8.370 nan 0.000 0.449 38 L N 0.494 121.794 121.223 0.129 0.000 2.046 38 L HA -0.149 4.159 4.340 -0.052 0.000 0.208 38 L C 2.220 179.222 176.870 0.221 0.000 1.077 38 L CA 1.535 56.471 54.840 0.160 0.000 0.747 38 L CB -0.771 41.393 42.059 0.176 0.000 0.896 38 L HN 0.024 nan 8.230 nan 0.000 0.432 39 S N 0.080 115.945 115.700 0.275 0.000 2.359 39 S HA -0.177 4.262 4.470 -0.052 0.000 0.224 39 S C 2.032 176.724 174.600 0.153 0.000 1.035 39 S CA 1.384 59.742 58.200 0.263 0.000 1.018 39 S CB -0.095 63.140 63.200 0.058 0.000 0.876 39 S HN 0.402 nan 8.310 nan 0.000 0.448 40 I N 2.423 123.050 120.570 0.094 0.000 2.208 40 I HA -0.144 3.995 4.170 -0.052 0.000 0.245 40 I C 2.156 178.322 176.117 0.082 0.000 1.097 40 I CA 1.414 62.752 61.300 0.064 0.000 1.363 40 I CB -1.665 36.355 38.000 0.033 0.000 1.051 40 I HN 0.365 nan 8.210 nan 0.000 0.413 41 D N 0.959 121.420 120.400 0.102 0.000 2.092 41 D HA -0.168 4.441 4.640 -0.052 0.000 0.193 41 D C 2.369 178.760 176.300 0.152 0.000 0.994 41 D CA 1.350 55.434 54.000 0.139 0.000 0.828 41 D CB -0.107 40.796 40.800 0.172 0.000 0.963 41 D HN 0.336 nan 8.370 nan 0.000 0.450 42 I N 0.845 121.498 120.570 0.137 0.000 2.208 42 I HA -0.261 3.877 4.170 -0.052 0.000 0.245 42 I C 2.544 178.726 176.117 0.109 0.000 1.097 42 I CA 1.063 62.433 61.300 0.118 0.000 1.363 42 I CB -0.209 37.869 38.000 0.131 0.000 1.051 42 I HN -0.062 nan 8.210 nan 0.000 0.413 43 K N 1.317 121.784 120.400 0.111 0.000 2.009 43 K HA -0.209 4.080 4.320 -0.052 0.000 0.210 43 K C 2.136 178.778 176.600 0.070 0.000 1.049 43 K CA 1.688 58.025 56.287 0.083 0.000 0.929 43 K CB -0.003 32.537 32.500 0.067 0.000 0.714 43 K HN 0.189 nan 8.250 nan 0.000 0.440 44 K N -1.562 118.883 120.400 0.075 0.000 2.063 44 K HA -0.110 4.179 4.320 -0.052 0.000 0.208 44 K C 1.262 177.912 176.600 0.084 0.000 1.048 44 K CA 1.337 57.667 56.287 0.071 0.000 0.928 44 K CB -0.032 32.512 32.500 0.072 0.000 0.713 44 K HN 0.488 nan 8.250 nan 0.000 0.442 45 G N -0.135 108.728 108.800 0.104 0.000 2.175 45 G HA2 -0.265 3.664 3.960 -0.052 0.000 0.182 45 G HA3 -0.265 3.664 3.960 -0.052 0.000 0.182 45 G C -0.373 174.598 174.900 0.117 0.000 1.003 45 G CA -0.240 44.913 45.100 0.089 0.000 0.666 45 G HN 0.288 nan 8.290 nan 0.000 0.506 46 Y N 2.685 122.996 120.300 0.018 0.000 2.834 46 Y HA 0.330 4.848 4.550 -0.053 0.000 0.355 46 Y C 1.070 176.977 175.900 0.013 0.000 1.287 46 Y CA 0.564 58.672 58.100 0.015 0.000 1.647 46 Y CB 0.126 38.595 38.460 0.015 0.000 1.221 46 Y HN 0.371 nan 8.280 nan 0.000 0.519 47 E N 3.450 123.457 120.200 -0.321 0.000 2.296 47 E HA 0.150 4.468 4.350 -0.052 0.000 0.196 47 E C 1.287 177.548 176.600 -0.564 0.000 1.143 47 E CA 0.444 56.644 56.400 -0.334 0.000 1.145 47 E CB 0.115 29.719 29.700 -0.160 0.000 1.215 47 E HN 0.883 nan 8.360 nan 0.000 0.447 48 G N 0.814 108.883 108.800 -1.218 0.000 3.159 48 G HA2 0.207 4.135 3.960 -0.052 0.000 0.232 48 G HA3 0.207 4.135 3.960 -0.052 0.000 0.232 48 G C 0.490 175.148 174.900 -0.403 0.000 1.116 48 G CA -0.211 44.314 45.100 -0.958 0.000 0.767 48 G HN 0.277 nan 8.290 nan 0.000 0.547 49 I N -2.420 117.973 120.570 -0.294 0.000 2.846 49 I HA 0.707 4.846 4.170 -0.052 0.000 0.307 49 I C -1.212 174.848 176.117 -0.096 0.000 1.053 49 I CA -1.695 59.554 61.300 -0.085 0.000 1.050 49 I CB 2.543 40.560 38.000 0.029 0.000 1.239 49 I HN -0.250 nan 8.210 nan 0.000 0.439 50 I N 4.634 125.149 120.570 -0.092 0.000 2.493 50 I HA 0.271 4.409 4.170 -0.052 0.000 0.279 50 I C -0.593 175.448 176.117 -0.126 0.000 1.045 50 I CA -0.843 60.392 61.300 -0.110 0.000 1.106 50 I CB 1.798 39.719 38.000 -0.132 0.000 1.216 50 I HN 0.329 nan 8.210 nan 0.000 0.459 51 V N 7.058 126.927 119.914 -0.076 0.000 2.439 51 V HA 0.158 4.247 4.120 -0.052 0.000 0.271 51 V C 0.310 176.371 176.094 -0.055 0.000 1.040 51 V CA -0.234 62.043 62.300 -0.038 0.000 1.002 51 V CB 1.109 32.930 31.823 -0.003 0.000 1.000 51 V HN 0.371 nan 8.190 nan 0.000 0.477 52 V N 4.291 124.137 119.914 -0.113 0.000 2.459 52 V HA 0.379 4.468 4.120 -0.052 0.000 0.295 52 V C -0.079 175.798 176.094 -0.361 0.000 1.029 52 V CA -0.701 61.485 62.300 -0.190 0.000 0.874 52 V CB 1.962 33.666 31.823 -0.200 0.000 0.985 52 V HN 0.823 nan 8.190 nan 0.000 0.438 53 D N 3.174 123.308 120.400 -0.442 0.000 2.317 53 D HA 0.262 4.871 4.640 -0.052 0.000 0.234 53 D C 0.586 176.597 176.300 -0.482 0.000 1.112 53 D CA -0.110 53.428 54.000 -0.770 0.000 0.840 53 D CB 2.154 42.745 40.800 -0.348 0.000 1.078 53 D HN 0.274 nan 8.370 nan 0.000 0.486 54 V N 4.481 124.106 119.914 -0.482 0.000 3.306 54 V HA -0.005 4.084 4.120 -0.052 0.000 0.264 54 V C 1.405 177.372 176.094 -0.212 0.000 1.149 54 V CA 0.545 62.689 62.300 -0.260 0.000 1.143 54 V CB -0.388 31.330 31.823 -0.174 0.000 0.767 54 V HN 0.411 nan 8.190 nan 0.000 0.476 55 R N 0.822 121.147 120.500 -0.293 0.000 2.893 55 R HA 0.098 4.407 4.340 -0.052 0.000 0.279 55 R C 0.056 176.312 176.300 -0.073 0.000 1.076 55 R CA -0.234 55.746 56.100 -0.200 0.000 1.203 55 R CB 0.048 30.059 30.300 -0.481 0.000 1.137 55 R HN 0.229 nan 8.270 nan 0.000 0.541 56 D N 0.006 120.437 120.400 0.051 0.000 2.378 56 D HA -0.003 4.605 4.640 -0.052 0.000 0.238 56 D C 0.993 177.320 176.300 0.045 0.000 1.180 56 D CA 0.349 54.382 54.000 0.056 0.000 0.895 56 D CB 0.753 41.622 40.800 0.115 0.000 1.192 56 D HN 0.602 nan 8.370 nan 0.000 0.438 57 A N 1.720 124.552 122.820 0.019 0.000 1.917 57 A HA -0.257 4.032 4.320 -0.052 0.000 0.219 57 A C 1.930 179.578 177.584 0.107 0.000 1.182 57 A CA 1.894 53.945 52.037 0.024 0.000 0.633 57 A CB -0.411 18.584 19.000 -0.008 0.000 0.819 57 A HN 0.571 nan 8.150 nan 0.000 0.448 58 E N 0.251 120.513 120.200 0.103 0.000 2.077 58 E HA -0.053 4.265 4.350 -0.052 0.000 0.193 58 E C 2.049 178.743 176.600 0.156 0.000 0.989 58 E CA 1.612 58.084 56.400 0.121 0.000 0.800 58 E CB -0.567 29.196 29.700 0.106 0.000 0.746 58 E HN 0.464 nan 8.360 nan 0.000 0.452 59 A N -0.318 122.613 122.820 0.184 0.000 1.902 59 A HA -0.202 4.087 4.320 -0.052 0.000 0.217 59 A C 2.273 179.925 177.584 0.113 0.000 1.181 59 A CA 1.671 53.824 52.037 0.193 0.000 0.623 59 A CB -1.088 18.035 19.000 0.205 0.000 0.818 59 A HN 0.536 nan 8.150 nan 0.000 0.443 60 Y N 0.215 120.509 120.300 -0.010 0.000 2.293 60 Y HA -0.117 4.403 4.550 -0.051 0.000 0.291 60 Y C 2.247 178.234 175.900 0.145 0.000 1.137 60 Y CA 2.158 60.270 58.100 0.020 0.000 1.202 60 Y CB -0.139 38.269 38.460 -0.086 0.000 0.990 60 Y HN 0.266 nan 8.280 nan 0.000 0.537 61 K N 0.047 120.602 120.400 0.257 0.000 2.217 61 K HA -0.123 4.165 4.320 -0.052 0.000 0.202 61 K C 1.846 178.484 176.600 0.064 0.000 1.051 61 K CA 1.303 57.697 56.287 0.178 0.000 0.952 61 K CB 0.021 32.624 32.500 0.171 0.000 0.736 61 K HN 0.427 nan 8.250 nan 0.000 0.453 62 E N -0.605 119.632 120.200 0.062 0.000 2.107 62 E HA -0.095 4.223 4.350 -0.052 0.000 0.191 62 E C 0.265 176.850 176.600 -0.026 0.000 0.982 62 E CA 0.911 57.333 56.400 0.037 0.000 0.809 62 E CB 0.175 29.925 29.700 0.083 0.000 0.756 62 E HN 0.443 nan 8.360 nan 0.000 0.459 63 C N -0.554 118.702 119.300 -0.074 0.000 3.136 63 C HA 0.574 5.003 4.460 -0.052 0.000 0.376 63 C C -1.450 173.417 174.990 -0.206 0.000 1.114 63 C CA -1.160 57.745 59.018 -0.189 0.000 1.110 63 C CB 0.398 28.087 27.740 -0.086 0.000 1.452 63 C HN 0.524 nan 8.230 nan 0.000 0.542 64 H N 0.246 119.156 119.070 -0.266 0.000 2.967 64 H HA 0.744 5.269 4.556 -0.052 0.000 0.318 64 H C -1.035 174.132 175.328 -0.268 0.000 1.375 64 H CA -1.056 54.824 56.048 -0.279 0.000 1.132 64 H CB 0.263 29.693 29.762 -0.554 0.000 1.848 64 H HN 0.837 nan 8.280 nan 0.000 0.524 65 I N 1.941 122.420 120.570 -0.152 0.000 2.710 65 I HA 0.129 4.268 4.170 -0.052 0.000 0.286 65 I C -2.054 173.980 176.117 -0.138 0.000 1.181 65 I CA -1.536 59.447 61.300 -0.528 0.000 1.430 65 I CB 0.390 37.706 38.000 -1.139 0.000 1.367 65 I HN 0.419 nan 8.210 nan 0.000 0.577 66 P HA -0.075 nan 4.420 nan 0.000 0.262 66 P C 0.532 177.844 177.300 0.020 0.000 1.182 66 P CA 0.739 63.837 63.100 -0.002 0.000 0.761 66 P CB 0.314 32.045 31.700 0.052 0.000 0.795 67 T N -0.998 113.606 114.554 0.084 0.000 6.157 67 T HA -0.255 4.064 4.350 -0.052 0.000 0.281 67 T C 0.245 174.971 174.700 0.043 0.000 2.039 67 T CA 0.674 62.809 62.100 0.059 0.000 3.312 67 T CB -2.369 66.516 68.868 0.027 0.000 1.589 67 T HN 0.632 nan 8.240 nan 0.000 1.129 68 A N 1.089 123.952 122.820 0.072 0.000 2.316 68 A HA 0.794 5.083 4.320 -0.052 0.000 0.284 68 A C 0.699 178.304 177.584 0.035 0.000 1.115 68 A CA -0.558 51.514 52.037 0.059 0.000 0.812 68 A CB 0.400 19.500 19.000 0.168 0.000 1.064 68 A HN 1.330 nan 8.150 nan 0.000 0.489 69 I N -0.525 120.017 120.570 -0.047 0.000 2.676 69 I HA 0.690 4.829 4.170 -0.052 0.000 0.309 69 I C 0.165 176.039 176.117 -0.405 0.000 0.990 69 I CA -0.554 60.639 61.300 -0.179 0.000 1.168 69 I CB 1.963 39.868 38.000 -0.158 0.000 1.343 69 I HN 0.439 nan 8.210 nan 0.000 0.482 70 S N 4.955 120.196 115.700 -0.764 0.000 2.429 70 S HA 0.657 5.096 4.470 -0.052 0.000 0.302 70 S C -0.606 173.726 174.600 -0.446 0.000 1.115 70 S CA -0.571 57.100 58.200 -0.881 0.000 1.095 70 S CB 0.014 62.340 63.200 -1.457 0.000 0.987 70 S HN 0.560 nan 8.310 nan 0.000 0.474 71 I N 6.408 126.787 120.570 -0.318 0.000 2.649 71 I HA 0.269 4.407 4.170 -0.052 0.000 0.275 71 I C -2.578 173.432 176.117 -0.178 0.000 1.180 71 I CA -1.872 59.306 61.300 -0.205 0.000 1.049 71 I CB 2.107 40.036 38.000 -0.119 0.000 1.234 71 I HN 0.421 nan 8.210 nan 0.000 0.506 72 P HA -0.036 nan 4.420 nan 0.000 0.263 72 P C 1.199 178.426 177.300 -0.122 0.000 1.175 72 P CA 0.489 63.511 63.100 -0.129 0.000 0.761 72 P CB 0.882 32.524 31.700 -0.098 0.000 0.794 73 G N 3.922 112.660 108.800 -0.103 0.000 2.599 73 G HA2 -0.313 3.615 3.960 -0.052 0.000 0.219 73 G HA3 -0.313 3.615 3.960 -0.052 0.000 0.219 73 G C 0.779 175.612 174.900 -0.111 0.000 1.193 73 G CA 0.997 46.036 45.100 -0.102 0.000 0.778 73 G HN 0.680 nan 8.290 nan 0.000 0.589 74 N N -0.164 118.488 118.700 -0.080 0.000 2.466 74 N HA 0.109 4.818 4.740 -0.052 0.000 0.211 74 N C 0.885 176.343 175.510 -0.087 0.000 1.256 74 N CA 0.533 53.538 53.050 -0.076 0.000 0.840 74 N CB 0.347 38.805 38.487 -0.048 0.000 1.079 74 N HN 0.485 nan 8.380 nan 0.000 0.466 75 K N 0.179 120.511 120.400 -0.114 0.000 2.553 75 K HA 0.276 4.564 4.320 -0.052 0.000 0.205 75 K C -0.623 175.883 176.600 -0.157 0.000 1.168 75 K CA -0.274 55.944 56.287 -0.116 0.000 1.043 75 K CB 0.500 32.938 32.500 -0.103 0.000 0.967 75 K HN 0.133 nan 8.250 nan 0.000 0.585 76 I N 3.957 124.399 120.570 -0.214 0.000 2.379 76 I HA 0.098 4.237 4.170 -0.052 0.000 0.290 76 I C -0.115 175.841 176.117 -0.269 0.000 1.063 76 I CA -0.125 60.977 61.300 -0.329 0.000 1.351 76 I CB 0.338 38.006 38.000 -0.553 0.000 1.410 76 I HN 0.310 nan 8.210 nan 0.000 0.505 77 N N 4.066 122.634 118.700 -0.220 0.000 3.364 77 N HA 0.195 4.904 4.740 -0.052 0.000 0.294 77 N C -0.123 175.337 175.510 -0.083 0.000 1.562 77 N CA -0.790 52.178 53.050 -0.135 0.000 0.862 77 N CB 1.057 39.488 38.487 -0.092 0.000 1.691 77 N HN 0.353 nan 8.380 nan 0.000 0.572 78 E N -0.290 119.893 120.200 -0.028 0.000 2.347 78 E HA -0.065 4.253 4.350 -0.052 0.000 0.196 78 E C 0.054 176.661 176.600 0.011 0.000 1.008 78 E CA 0.904 57.316 56.400 0.022 0.000 0.852 78 E CB -0.025 29.692 29.700 0.028 0.000 0.783 78 E HN 0.389 nan 8.360 nan 0.000 0.505 79 D N 0.042 120.431 120.400 -0.017 0.000 2.194 79 D HA -0.069 4.540 4.640 -0.052 0.000 0.204 79 D C 1.606 177.891 176.300 -0.026 0.000 0.964 79 D CA 1.175 55.164 54.000 -0.019 0.000 0.846 79 D CB -0.034 40.748 40.800 -0.029 0.000 0.962 79 D HN 0.139 nan 8.370 nan 0.000 0.490 80 T N -1.561 112.964 114.554 -0.048 0.000 3.060 80 T HA 0.022 4.341 4.350 -0.052 0.000 0.249 80 T C 1.525 176.198 174.700 -0.045 0.000 1.079 80 T CA 0.663 62.727 62.100 -0.062 0.000 1.013 80 T CB 0.148 68.955 68.868 -0.101 0.000 0.975 80 T HN 0.163 nan 8.240 nan 0.000 0.518 81 T N -0.396 114.152 114.554 -0.010 0.000 3.132 81 T HA 0.235 4.554 4.350 -0.052 0.000 0.274 81 T C 1.547 176.357 174.700 0.183 0.000 1.011 81 T CA -0.579 61.550 62.100 0.049 0.000 0.899 81 T CB 0.000 68.863 68.868 -0.009 0.000 1.089 81 T HN 0.484 nan 8.240 nan 0.000 0.543 82 K N 1.683 122.146 120.400 0.106 0.000 2.148 82 K HA 0.046 4.335 4.320 -0.052 0.000 0.204 82 K C 2.082 178.737 176.600 0.091 0.000 1.050 82 K CA 0.446 56.794 56.287 0.101 0.000 0.942 82 K CB -0.131 32.399 32.500 0.050 0.000 0.724 82 K HN 0.194 nan 8.250 nan 0.000 0.446 83 R N 0.798 121.338 120.500 0.066 0.000 2.299 83 R HA 0.213 4.522 4.340 -0.052 0.000 0.197 83 R C 0.179 176.519 176.300 0.068 0.000 0.971 83 R CA -0.012 56.117 56.100 0.047 0.000 1.030 83 R CB -0.093 30.216 30.300 0.016 0.000 0.932 83 R HN 0.174 nan 8.270 nan 0.000 0.477 84 L N 0.972 122.270 121.223 0.124 0.000 2.305 84 L HA 0.148 4.457 4.340 -0.052 0.000 0.281 84 L C 0.528 177.551 176.870 0.257 0.000 1.085 84 L CA -0.336 54.601 54.840 0.162 0.000 0.813 84 L CB 1.567 43.704 42.059 0.129 0.000 1.157 84 L HN -0.077 nan 8.230 nan 0.000 0.436 85 S N 2.386 118.184 115.700 0.162 0.000 2.481 85 S HA 0.099 4.537 4.470 -0.052 0.000 0.276 85 S C 0.925 175.606 174.600 0.134 0.000 1.247 85 S CA -0.467 57.797 58.200 0.107 0.000 1.053 85 S CB 0.399 63.622 63.200 0.039 0.000 0.925 85 S HN 0.608 nan 8.310 nan 0.000 0.491 86 K N 3.047 123.436 120.400 -0.018 0.000 2.589 86 K HA 0.037 4.326 4.320 -0.052 0.000 0.192 86 K C 0.902 177.466 176.600 -0.062 0.000 1.029 86 K CA 0.362 56.544 56.287 -0.176 0.000 1.031 86 K CB 0.155 32.397 32.500 -0.431 0.000 0.821 86 K HN 0.628 nan 8.250 nan 0.000 0.502 87 E N 0.764 120.955 120.200 -0.015 0.000 2.385 87 E HA 0.008 4.326 4.350 -0.052 0.000 0.194 87 E C 0.127 176.732 176.600 0.008 0.000 1.013 87 E CA 0.629 57.024 56.400 -0.009 0.000 0.866 87 E CB 0.319 30.012 29.700 -0.012 0.000 0.832 87 E HN 0.244 nan 8.360 nan 0.000 0.500 88 K N 0.600 121.014 120.400 0.022 0.000 2.139 88 K HA 0.446 4.734 4.320 -0.052 0.000 0.243 88 K C -0.364 176.261 176.600 0.042 0.000 0.983 88 K CA -0.692 55.600 56.287 0.008 0.000 0.890 88 K CB 2.281 34.763 32.500 -0.031 0.000 1.090 88 K HN -0.239 nan 8.250 nan 0.000 0.445 89 V N 2.912 122.840 119.914 0.023 0.000 2.383 89 V HA 0.165 4.253 4.120 -0.052 0.000 0.275 89 V C -0.119 175.950 176.094 -0.043 0.000 1.036 89 V CA -0.710 61.604 62.300 0.024 0.000 0.889 89 V CB 0.786 32.637 31.823 0.047 0.000 0.985 89 V HN 0.505 nan 8.190 nan 0.000 0.459 90 I N 6.069 126.574 120.570 -0.108 0.000 2.529 90 I HA 0.271 4.410 4.170 -0.052 0.000 0.284 90 I C 0.165 176.141 176.117 -0.235 0.000 1.082 90 I CA 0.436 61.551 61.300 -0.308 0.000 1.406 90 I CB 0.771 38.319 38.000 -0.753 0.000 1.405 90 I HN 0.409 nan 8.210 nan 0.000 0.548 91 I N 5.741 126.185 120.570 -0.211 0.000 2.448 91 I HA 0.217 4.356 4.170 -0.052 0.000 0.281 91 I C 0.034 176.100 176.117 -0.084 0.000 1.027 91 I CA -0.547 60.695 61.300 -0.096 0.000 1.111 91 I CB 1.291 39.278 38.000 -0.022 0.000 1.236 91 I HN 0.599 nan 8.210 nan 0.000 0.452 92 T N 2.952 117.463 114.554 -0.072 0.000 2.918 92 T HA 0.657 4.976 4.350 -0.052 0.000 0.283 92 T C -0.706 174.040 174.700 0.077 0.000 1.001 92 T CA -0.395 61.678 62.100 -0.044 0.000 1.041 92 T CB 1.642 70.509 68.868 -0.002 0.000 1.028 92 T HN 0.486 nan 8.240 nan 0.000 0.511 93 Y N -1.079 119.180 120.300 -0.068 0.000 2.474 93 Y HA 0.654 5.177 4.550 -0.046 0.000 0.326 93 Y C -0.675 175.162 175.900 -0.104 0.000 1.160 93 Y CA -1.785 56.269 58.100 -0.077 0.000 1.056 93 Y CB 0.460 38.859 38.460 -0.101 0.000 1.330 93 Y HN 1.007 nan 8.280 nan 0.000 0.447 94 c N 2.926 121.571 118.600 0.075 0.000 2.942 94 c HA 0.506 5.045 4.570 -0.052 0.000 0.353 94 c C 1.161 175.272 174.090 0.035 0.000 2.933 94 c CA -0.538 55.767 56.329 -0.041 0.000 1.840 94 c CB 0.034 42.573 42.510 0.047 0.000 2.833 94 c HN 1.100 nan 8.230 nan 0.000 0.440 95 W N 0.979 122.331 121.300 0.088 0.000 2.381 95 W HA 0.323 4.949 4.660 -0.056 0.000 0.321 95 W C 1.366 177.914 176.519 0.048 0.000 1.196 95 W CA 1.859 59.255 57.345 0.085 0.000 1.304 95 W CB -0.722 28.770 29.460 0.054 0.000 1.166 95 W HN 0.988 nan 8.180 nan 0.000 0.473 96 G N -3.304 105.644 108.800 0.246 0.000 2.650 96 G HA2 0.253 4.182 3.960 -0.052 0.000 0.310 96 G HA3 0.253 4.182 3.960 -0.052 0.000 0.310 96 G C -2.469 172.400 174.900 -0.051 0.000 1.270 96 G CA -0.540 44.583 45.100 0.038 0.000 0.810 96 G HN -0.363 nan 8.290 nan 0.000 0.493 97 P HA 0.057 nan 4.420 nan 0.000 0.220 97 P C 1.609 178.907 177.300 -0.003 0.000 1.148 97 P CA 1.842 64.886 63.100 -0.093 0.000 0.803 97 P CB 0.230 31.895 31.700 -0.058 0.000 0.782 98 A N -2.026 120.807 122.820 0.022 0.000 2.238 98 A HA 0.040 4.329 4.320 -0.052 0.000 0.208 98 A C 1.050 178.659 177.584 0.041 0.000 1.177 98 A CA 0.100 52.156 52.037 0.031 0.000 0.804 98 A CB -1.068 17.948 19.000 0.028 0.000 0.823 98 A HN 0.321 nan 8.150 nan 0.000 0.482 99 c N -0.864 117.773 118.600 0.062 0.000 2.358 99 c HA 0.499 5.038 4.570 -0.052 0.000 0.354 99 c C 1.252 175.377 174.090 0.059 0.000 1.183 99 c CA -0.548 55.833 56.329 0.086 0.000 2.150 99 c CB 0.351 42.965 42.510 0.173 0.000 2.361 99 c HN 0.636 nan 8.230 nan 0.000 0.535 100 N N 1.140 119.872 118.700 0.054 0.000 2.294 100 N HA 0.106 4.815 4.740 -0.052 0.000 0.186 100 N C 1.758 177.288 175.510 0.033 0.000 1.107 100 N CA 0.637 53.708 53.050 0.035 0.000 0.884 100 N CB 0.155 38.657 38.487 0.024 0.000 1.030 100 N HN 0.936 nan 8.380 nan 0.000 0.482 101 G N 1.763 110.590 108.800 0.046 0.000 2.649 101 G HA2 -0.401 3.528 3.960 -0.052 0.000 0.220 101 G HA3 -0.401 3.528 3.960 -0.052 0.000 0.220 101 G C 1.562 176.470 174.900 0.014 0.000 1.189 101 G CA 1.427 46.543 45.100 0.026 0.000 0.777 101 G HN 0.368 nan 8.290 nan 0.000 0.602 102 A N -0.324 122.509 122.820 0.022 0.000 1.892 102 A HA -0.078 4.211 4.320 -0.052 0.000 0.218 102 A C 2.568 180.176 177.584 0.040 0.000 1.188 102 A CA 2.814 54.869 52.037 0.030 0.000 0.631 102 A CB -1.121 17.907 19.000 0.048 0.000 0.822 102 A HN 0.372 nan 8.150 nan 0.000 0.447 103 T N -0.113 114.459 114.554 0.031 0.000 2.674 103 T HA -0.129 4.190 4.350 -0.052 0.000 0.265 103 T C 1.956 176.667 174.700 0.019 0.000 1.039 103 T CA 1.693 63.806 62.100 0.022 0.000 1.150 103 T CB -0.223 68.650 68.868 0.009 0.000 0.864 103 T HN 0.545 nan 8.240 nan 0.000 0.427 104 K N 1.224 121.631 120.400 0.011 0.000 2.009 104 K HA -0.053 4.236 4.320 -0.052 0.000 0.210 104 K C 2.716 179.316 176.600 0.001 0.000 1.049 104 K CA 1.356 57.642 56.287 -0.001 0.000 0.929 104 K CB -0.436 32.059 32.500 -0.008 0.000 0.714 104 K HN 0.276 nan 8.250 nan 0.000 0.440 105 A N 1.596 124.423 122.820 0.011 0.000 1.917 105 A HA -0.209 4.080 4.320 -0.052 0.000 0.219 105 A C 2.403 180.079 177.584 0.153 0.000 1.182 105 A CA 2.122 54.176 52.037 0.029 0.000 0.633 105 A CB -0.890 18.155 19.000 0.075 0.000 0.819 105 A HN 0.390 nan 8.150 nan 0.000 0.448 106 A N -0.269 122.646 122.820 0.159 0.000 1.940 106 A HA 0.083 4.371 4.320 -0.052 0.000 0.219 106 A C 2.496 180.172 177.584 0.155 0.000 1.176 106 A CA 2.316 54.464 52.037 0.186 0.000 0.631 106 A CB -0.995 18.066 19.000 0.101 0.000 0.814 106 A HN 1.133 nan 8.150 nan 0.000 0.446 107 A N -0.160 122.704 122.820 0.073 0.000 1.877 107 A HA -0.154 4.135 4.320 -0.052 0.000 0.216 107 A C 2.102 179.708 177.584 0.037 0.000 1.186 107 A CA 1.744 53.806 52.037 0.042 0.000 0.620 107 A CB -0.429 18.574 19.000 0.005 0.000 0.822 107 A HN 0.555 nan 8.150 nan 0.000 0.443 108 K N -1.479 118.909 120.400 -0.020 0.000 2.097 108 K HA -0.094 4.195 4.320 -0.052 0.000 0.206 108 K C 1.629 178.171 176.600 -0.098 0.000 1.049 108 K CA 1.454 57.675 56.287 -0.110 0.000 0.933 108 K CB -0.322 32.034 32.500 -0.241 0.000 0.717 108 K HN 0.462 nan 8.250 nan 0.000 0.442 109 F N 1.074 121.020 119.950 -0.006 0.000 2.128 109 F HA -0.087 4.409 4.527 -0.052 0.000 0.295 109 F C 2.538 178.434 175.800 0.161 0.000 1.100 109 F CA 1.121 59.133 58.000 0.021 0.000 1.260 109 F CB -0.657 38.303 39.000 -0.066 0.000 1.009 109 F HN -0.010 nan 8.300 nan 0.000 0.476 110 A N -0.719 122.283 122.820 0.303 0.000 1.972 110 A HA -0.260 4.028 4.320 -0.052 0.000 0.219 110 A C 2.161 179.844 177.584 0.164 0.000 1.169 110 A CA 1.765 53.933 52.037 0.218 0.000 0.635 110 A CB -0.884 18.207 19.000 0.152 0.000 0.810 110 A HN 0.482 nan 8.150 nan 0.000 0.446 111 Q N -0.683 119.193 119.800 0.125 0.000 2.230 111 Q HA 0.031 4.340 4.340 -0.052 0.000 0.202 111 Q C 1.293 177.351 176.000 0.097 0.000 0.963 111 Q CA 0.745 56.595 55.803 0.079 0.000 0.866 111 Q CB -0.103 28.656 28.738 0.034 0.000 0.931 111 Q HN 0.677 nan 8.270 nan 0.000 0.452 112 L N -0.557 120.772 121.223 0.176 0.000 2.627 112 L HA 0.196 4.505 4.340 -0.052 0.000 0.232 112 L C 0.918 177.900 176.870 0.187 0.000 1.150 112 L CA 0.414 55.389 54.840 0.226 0.000 0.917 112 L CB 0.169 42.450 42.059 0.372 0.000 1.104 112 L HN 0.442 nan 8.230 nan 0.000 0.445 113 G N -0.357 108.522 108.800 0.132 0.000 2.137 113 G HA2 -0.300 3.629 3.960 -0.052 0.000 0.237 113 G HA3 -0.300 3.629 3.960 -0.052 0.000 0.237 113 G C -0.003 174.843 174.900 -0.090 0.000 1.002 113 G CA -0.311 44.784 45.100 -0.009 0.000 0.702 113 G HN 0.189 nan 8.290 nan 0.000 0.515 114 F N -0.843 119.165 119.950 0.096 0.000 2.399 114 F HA 0.714 5.210 4.527 -0.052 0.000 0.328 114 F C 1.020 176.856 175.800 0.059 0.000 1.084 114 F CA -1.158 56.893 58.000 0.085 0.000 1.053 114 F CB 1.144 40.230 39.000 0.144 0.000 1.209 114 F HN -0.066 nan 8.300 nan 0.000 0.502 115 R N 2.021 122.651 120.500 0.217 0.000 3.266 115 R HA 0.331 4.639 4.340 -0.052 0.000 0.224 115 R C -0.955 175.406 176.300 0.101 0.000 1.525 115 R CA -0.165 56.008 56.100 0.122 0.000 1.364 115 R CB -0.407 29.938 30.300 0.075 0.000 1.276 115 R HN 0.509 nan 8.270 nan 0.000 0.660 116 V N 2.307 122.289 119.914 0.114 0.000 2.953 116 V HA 0.445 4.534 4.120 -0.052 0.000 0.304 116 V C -0.393 175.736 176.094 0.060 0.000 1.073 116 V CA -0.291 62.033 62.300 0.040 0.000 1.064 116 V CB 1.247 33.127 31.823 0.095 0.000 1.047 116 V HN 0.661 nan 8.190 nan 0.000 0.478 117 K N 3.297 123.711 120.400 0.023 0.000 2.589 117 K HA 0.325 4.613 4.320 -0.052 0.000 0.253 117 K C -0.942 175.685 176.600 0.045 0.000 0.974 117 K CA -0.549 55.774 56.287 0.059 0.000 0.835 117 K CB 1.402 33.930 32.500 0.047 0.000 1.272 117 K HN 0.900 nan 8.250 nan 0.000 0.444 118 E N 3.623 123.866 120.200 0.071 0.000 2.313 118 E HA 0.224 4.542 4.350 -0.052 0.000 0.272 118 E C -0.747 175.898 176.600 0.075 0.000 1.038 118 E CA -0.883 55.556 56.400 0.065 0.000 0.863 118 E CB 1.260 30.999 29.700 0.064 0.000 1.060 118 E HN 0.261 nan 8.360 nan 0.000 0.402 119 L N 4.928 126.202 121.223 0.085 0.000 2.282 119 L HA 0.269 4.578 4.340 -0.052 0.000 0.287 119 L C -0.365 176.551 176.870 0.077 0.000 1.075 119 L CA -0.529 54.366 54.840 0.091 0.000 0.839 119 L CB 0.288 42.407 42.059 0.101 0.000 1.219 119 L HN 0.599 nan 8.230 nan 0.000 0.434 120 I N 2.998 123.614 120.570 0.076 0.000 2.598 120 I HA 0.547 4.686 4.170 -0.052 0.000 0.284 120 I C 1.037 177.153 176.117 -0.002 0.000 1.140 120 I CA 0.542 61.868 61.300 0.044 0.000 1.420 120 I CB 0.149 38.199 38.000 0.084 0.000 1.387 120 I HN 0.818 nan 8.210 nan 0.000 0.553 121 G N 3.327 111.978 108.800 -0.247 0.000 2.491 121 G HA2 0.061 3.990 3.960 -0.052 0.000 0.203 121 G HA3 0.061 3.990 3.960 -0.052 0.000 0.203 121 G C 0.776 175.451 174.900 -0.376 0.000 1.052 121 G CA -0.121 44.516 45.100 -0.772 0.000 0.675 121 G HN 2.010 nan 8.290 nan 0.000 0.504 122 G N 0.411 109.173 108.800 -0.064 0.000 2.645 122 G HA2 -0.092 3.837 3.960 -0.052 0.000 0.246 122 G HA3 -0.092 3.837 3.960 -0.052 0.000 0.246 122 G C 0.933 175.873 174.900 0.066 0.000 1.322 122 G CA 0.244 45.375 45.100 0.052 0.000 0.898 122 G HN 1.034 nan 8.290 nan 0.000 0.573 123 I N 0.952 121.574 120.570 0.087 0.000 2.248 123 I HA -0.145 3.993 4.170 -0.052 0.000 0.248 123 I C 2.580 178.839 176.117 0.237 0.000 1.107 123 I CA 2.527 63.889 61.300 0.105 0.000 1.373 123 I CB -1.077 36.977 38.000 0.091 0.000 1.055 123 I HN 0.841 nan 8.210 nan 0.000 0.418 124 E N 0.347 120.694 120.200 0.246 0.000 2.049 124 E HA -0.270 4.049 4.350 -0.052 0.000 0.198 124 E C 2.326 179.155 176.600 0.381 0.000 1.007 124 E CA 1.712 58.283 56.400 0.286 0.000 0.809 124 E CB -0.094 29.762 29.700 0.260 0.000 0.749 124 E HN 0.373 nan 8.360 nan 0.000 0.450 125 Y N -0.442 119.938 120.300 0.133 0.000 2.242 125 Y HA -0.207 4.321 4.550 -0.037 0.000 0.291 125 Y C 2.058 178.010 175.900 0.086 0.000 1.137 125 Y CA 0.639 58.796 58.100 0.094 0.000 1.181 125 Y CB -1.097 37.419 38.460 0.093 0.000 0.989 125 Y HN 0.388 nan 8.280 nan 0.000 0.527 126 W N 1.813 123.189 121.300 0.125 0.000 2.335 126 W HA -0.231 4.417 4.660 -0.019 0.000 0.311 126 W C 1.990 178.516 176.519 0.011 0.000 1.213 126 W CA 1.973 59.327 57.345 0.015 0.000 1.274 126 W CB -0.315 29.089 29.460 -0.093 0.000 1.148 126 W HN 0.084 nan 8.180 nan 0.000 0.498 127 R N 0.374 120.986 120.500 0.186 0.000 2.096 127 R HA -0.208 4.100 4.340 -0.052 0.000 0.240 127 R C 2.292 178.566 176.300 -0.043 0.000 1.139 127 R CA 2.242 58.391 56.100 0.080 0.000 0.952 127 R CB -0.625 29.759 30.300 0.139 0.000 0.854 127 R HN 0.158 nan 8.270 nan 0.000 0.436 128 K N 0.084 120.475 120.400 -0.015 0.000 2.160 128 K HA -0.166 4.123 4.320 -0.052 0.000 0.206 128 K C 1.922 178.444 176.600 -0.131 0.000 1.047 128 K CA 1.338 57.590 56.287 -0.057 0.000 0.930 128 K CB 0.070 32.541 32.500 -0.048 0.000 0.720 128 K HN 0.274 nan 8.250 nan 0.000 0.450 129 E N 0.397 120.466 120.200 -0.219 0.000 2.052 129 E HA 0.036 4.355 4.350 -0.052 0.000 0.192 129 E C 0.827 177.211 176.600 -0.360 0.000 0.958 129 E CA 0.601 56.828 56.400 -0.288 0.000 0.835 129 E CB -0.116 29.369 29.700 -0.358 0.000 0.811 129 E HN 0.290 nan 8.360 nan 0.000 0.462 130 N N 0.416 118.742 118.700 -0.624 0.000 2.752 130 N HA 0.432 5.140 4.740 -0.052 0.000 0.316 130 N C 0.284 175.582 175.510 -0.354 0.000 1.343 130 N CA -0.248 52.441 53.050 -0.601 0.000 0.875 130 N CB 0.158 38.006 38.487 -1.066 0.000 1.120 130 N HN 0.101 nan 8.380 nan 0.000 0.562 131 G N -0.456 108.267 108.800 -0.130 0.000 2.563 131 G HA2 0.642 4.571 3.960 -0.052 0.000 0.302 131 G HA3 0.642 4.571 3.960 -0.052 0.000 0.302 131 G C -0.559 174.523 174.900 0.302 0.000 1.301 131 G CA -0.529 44.614 45.100 0.071 0.000 0.965 131 G HN 0.254 nan 8.290 nan 0.000 0.480 132 L N 0.000 121.342 121.223 0.198 0.000 2.949 132 L HA 0.000 4.309 4.340 -0.052 0.000 0.249 132 L CA 0.000 54.902 54.840 0.103 0.000 0.813 132 L CB 0.000 42.089 42.059 0.050 0.000 0.961 132 L HN 0.000 nan 8.230 nan 0.000 0.502