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 2wh4_1_W DATA FIRST_RESID 1 DATA SEQUENCE MEAKAIARYV RISPRKVRLV VDLIRGKSLE EARNILRYTN KRGAYFVAKV DATA SEQUENCE LESAAANAVN NHDMLEDRLY VKAAYVDEGP ALKRVLPRAR GRADIIKKRT DATA SEQUENCE SHITVILGEK HGK 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 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.323 55.300 0.038 0.000 0.988 1 M CB 0.000 32.632 32.600 0.054 0.000 1.302 2 E N 1.713 121.899 120.200 -0.024 0.000 2.392 2 E HA 0.848 5.198 4.350 0.000 0.000 0.279 2 E C -1.938 174.554 176.600 -0.179 0.000 0.964 2 E CA -1.215 55.146 56.400 -0.064 0.000 0.777 2 E CB 1.876 31.559 29.700 -0.030 0.000 1.249 2 E HN 0.928 nan 8.360 nan 0.000 0.449 3 A N 2.438 125.137 122.820 -0.202 0.000 2.335 3 A HA 0.491 4.811 4.320 0.000 0.000 0.304 3 A C -0.592 176.897 177.584 -0.158 0.000 1.118 3 A CA -0.845 51.022 52.037 -0.284 0.000 0.757 3 A CB 1.139 19.921 19.000 -0.365 0.000 1.188 3 A HN 0.493 nan 8.150 nan 0.000 0.460 4 K N 0.780 121.111 120.400 -0.116 0.000 2.138 4 K HA 0.556 4.876 4.320 0.000 0.000 0.251 4 K C 0.796 177.356 176.600 -0.067 0.000 1.015 4 K CA 0.466 56.708 56.287 -0.075 0.000 0.917 4 K CB 1.409 33.888 32.500 -0.035 0.000 1.021 4 K HN 0.778 nan 8.250 nan 0.000 0.485 5 A N 1.809 124.590 122.820 -0.066 0.000 2.039 5 A HA 0.444 4.764 4.320 0.000 0.000 0.205 5 A C -0.382 177.175 177.584 -0.045 0.000 2.297 5 A CA -0.249 51.754 52.037 -0.056 0.000 1.472 5 A CB -0.018 18.940 19.000 -0.069 0.000 1.030 5 A HN 0.760 nan 8.150 nan 0.000 0.511 6 I N -1.140 119.405 120.570 -0.042 0.000 7.754 6 I HA -0.100 4.070 4.170 0.000 0.000 0.126 6 I C -0.298 175.785 176.117 -0.056 0.000 1.845 6 I CA 0.353 61.634 61.300 -0.031 0.000 2.038 6 I CB -1.257 36.726 38.000 -0.029 0.000 3.707 6 I HN 0.750 nan 8.210 nan 0.000 0.169 7 A N 7.512 130.303 122.820 -0.048 0.000 2.431 7 A HA 0.737 5.057 4.320 0.000 0.000 0.318 7 A C 0.193 177.729 177.584 -0.081 0.000 1.330 7 A CA -0.662 51.332 52.037 -0.072 0.000 0.804 7 A CB 0.652 19.620 19.000 -0.054 0.000 1.135 7 A HN 0.611 nan 8.150 nan 0.000 0.483 8 R N 0.933 121.322 120.500 -0.185 0.000 2.560 8 R HA 0.449 4.789 4.340 0.000 0.000 0.270 8 R C -0.615 175.688 176.300 0.005 0.000 1.074 8 R CA -0.608 55.330 56.100 -0.271 0.000 1.140 8 R CB 0.345 30.236 30.300 -0.682 0.000 1.073 8 R HN 0.733 nan 8.270 nan 0.000 0.527 9 Y N -1.567 118.776 120.300 0.071 0.000 3.234 9 Y HA -0.196 4.354 4.550 0.000 0.000 0.207 9 Y C -0.381 175.492 175.900 -0.046 0.000 1.316 9 Y CA -0.706 57.438 58.100 0.073 0.000 1.309 9 Y CB -1.614 36.854 38.460 0.012 0.000 1.408 9 Y HN 0.256 nan 8.280 nan 0.000 0.544 10 V N 1.958 121.897 119.914 0.042 0.000 2.372 10 V HA 0.129 4.249 4.120 0.000 0.000 0.261 10 V C 1.061 177.016 176.094 -0.232 0.000 1.055 10 V CA -0.654 61.507 62.300 -0.233 0.000 0.930 10 V CB 1.214 32.763 31.823 -0.458 0.000 1.031 10 V HN 0.252 nan 8.190 nan 0.000 0.479 11 R N 5.413 125.805 120.500 -0.181 0.000 2.710 11 R HA 0.266 4.606 4.340 0.000 0.000 0.301 11 R C -0.639 175.603 176.300 -0.097 0.000 1.331 11 R CA 0.417 56.458 56.100 -0.099 0.000 0.996 11 R CB -0.668 29.612 30.300 -0.034 0.000 1.075 11 R HN 0.797 nan 8.270 nan 0.000 0.500 12 I N 0.582 121.102 120.570 -0.084 0.000 2.661 12 I HA -0.033 4.138 4.170 0.000 0.000 0.290 12 I C -0.919 175.183 176.117 -0.025 0.000 1.734 12 I CA -0.285 61.002 61.300 -0.021 0.000 1.018 12 I CB 1.865 39.870 38.000 0.008 0.000 1.532 12 I HN 0.349 nan 8.210 nan 0.000 0.488 13 S N 7.075 122.775 115.700 0.001 0.000 2.549 13 S HA 0.304 4.774 4.470 0.000 0.000 0.286 13 S C -1.811 172.787 174.600 -0.003 0.000 1.314 13 S CA -0.489 57.706 58.200 -0.009 0.000 1.062 13 S CB 1.162 64.362 63.200 0.000 0.000 0.865 13 S HN 0.543 nan 8.310 nan 0.000 0.498 14 P HA -0.083 nan 4.420 nan 0.000 0.213 14 P C 1.384 178.691 177.300 0.011 0.000 1.170 14 P CA 1.335 64.431 63.100 -0.006 0.000 0.898 14 P CB 0.048 31.733 31.700 -0.025 0.000 0.787 15 R N -0.205 120.298 120.500 0.006 0.000 2.153 15 R HA -0.196 4.144 4.340 0.000 0.000 0.252 15 R C 2.129 178.443 176.300 0.024 0.000 1.158 15 R CA 1.420 57.528 56.100 0.013 0.000 0.975 15 R CB -0.511 29.794 30.300 0.008 0.000 0.871 15 R HN 0.238 nan 8.270 nan 0.000 0.450 16 K N 0.193 120.611 120.400 0.030 0.000 2.002 16 K HA -0.116 4.204 4.320 0.000 0.000 0.209 16 K C 2.269 178.903 176.600 0.056 0.000 1.048 16 K CA 1.784 58.098 56.287 0.044 0.000 0.930 16 K CB -0.703 31.830 32.500 0.055 0.000 0.714 16 K HN 0.289 nan 8.250 nan 0.000 0.438 17 V N -0.527 119.425 119.914 0.063 0.000 2.488 17 V HA -0.075 4.045 4.120 0.000 0.000 0.246 17 V C 2.228 178.355 176.094 0.056 0.000 1.046 17 V CA 0.888 63.232 62.300 0.074 0.000 1.053 17 V CB -0.578 31.297 31.823 0.087 0.000 0.679 17 V HN 0.114 nan 8.190 nan 0.000 0.458 18 R N -0.137 120.390 120.500 0.046 0.000 2.133 18 R HA -0.166 4.174 4.340 0.000 0.000 0.247 18 R C 2.185 178.508 176.300 0.039 0.000 1.151 18 R CA 2.009 58.135 56.100 0.044 0.000 0.971 18 R CB -0.769 29.553 30.300 0.036 0.000 0.866 18 R HN 0.407 nan 8.270 nan 0.000 0.447 19 L N -0.047 121.198 121.223 0.037 0.000 2.127 19 L HA -0.163 4.177 4.340 0.000 0.000 0.211 19 L C 2.126 179.016 176.870 0.034 0.000 1.089 19 L CA 1.475 56.335 54.840 0.033 0.000 0.757 19 L CB -0.403 41.676 42.059 0.033 0.000 0.899 19 L HN 0.020 nan 8.230 nan 0.000 0.434 20 V N -2.197 117.741 119.914 0.040 0.000 2.331 20 V HA -0.146 3.974 4.120 0.000 0.000 0.242 20 V C 2.378 178.490 176.094 0.029 0.000 1.034 20 V CA 0.997 63.320 62.300 0.038 0.000 1.027 20 V CB -0.342 31.510 31.823 0.049 0.000 0.667 20 V HN 0.148 nan 8.190 nan 0.000 0.457 21 V N 0.906 120.837 119.914 0.029 0.000 2.250 21 V HA -0.354 3.766 4.120 0.000 0.000 0.250 21 V C 2.340 178.439 176.094 0.007 0.000 1.060 21 V CA 2.499 64.807 62.300 0.013 0.000 1.030 21 V CB -0.923 30.911 31.823 0.018 0.000 0.643 21 V HN 0.554 nan 8.190 nan 0.000 0.445 22 D N -0.236 120.175 120.400 0.018 0.000 2.203 22 D HA -0.177 4.463 4.640 0.000 0.000 0.199 22 D C 1.771 178.078 176.300 0.013 0.000 0.997 22 D CA 1.031 55.041 54.000 0.016 0.000 0.863 22 D CB -0.380 40.434 40.800 0.022 0.000 0.928 22 D HN 0.330 nan 8.370 nan 0.000 0.458 23 L N 0.448 121.681 121.223 0.016 0.000 2.551 23 L HA 0.033 4.373 4.340 0.000 0.000 0.228 23 L C 1.688 178.566 176.870 0.014 0.000 1.153 23 L CA 0.915 55.766 54.840 0.018 0.000 0.851 23 L CB -0.208 41.866 42.059 0.024 0.000 0.959 23 L HN 0.208 nan 8.230 nan 0.000 0.451 24 I N -4.960 115.612 120.570 0.003 0.000 4.557 24 I HA 0.219 4.389 4.170 0.000 0.000 0.333 24 I C 0.952 177.054 176.117 -0.025 0.000 1.332 24 I CA -0.592 60.705 61.300 -0.005 0.000 1.240 24 I CB -0.096 37.899 38.000 -0.009 0.000 1.312 24 I HN -0.112 nan 8.210 nan 0.000 0.457 25 R N 3.037 123.519 120.500 -0.031 0.000 2.494 25 R HA 0.165 4.505 4.340 0.000 0.000 0.291 25 R C 0.884 177.154 176.300 -0.051 0.000 0.953 25 R CA 1.448 57.515 56.100 -0.055 0.000 1.098 25 R CB -0.063 30.215 30.300 -0.035 0.000 0.911 25 R HN 0.611 nan 8.270 nan 0.000 0.407 26 G N 4.023 112.761 108.800 -0.104 0.000 2.351 26 G HA2 -0.301 3.659 3.960 0.000 0.000 0.297 26 G HA3 -0.301 3.659 3.960 0.000 0.000 0.297 26 G C -0.771 174.143 174.900 0.022 0.000 1.054 26 G CA 0.464 45.514 45.100 -0.085 0.000 1.123 26 G HN 0.608 nan 8.290 nan 0.000 0.512 27 K N 0.125 120.542 120.400 0.028 0.000 2.501 27 K HA 0.544 4.864 4.320 0.000 0.000 0.252 27 K C 0.516 177.188 176.600 0.121 0.000 0.934 27 K CA -0.343 55.993 56.287 0.081 0.000 0.797 27 K CB 1.830 34.356 32.500 0.043 0.000 1.270 27 K HN 0.666 nan 8.250 nan 0.000 0.431 28 S N 2.045 117.829 115.700 0.139 0.000 2.715 28 S HA -0.120 4.350 4.470 0.000 0.000 0.318 28 S C 1.288 175.946 174.600 0.098 0.000 1.242 28 S CA -0.424 57.856 58.200 0.133 0.000 1.044 28 S CB 0.231 63.480 63.200 0.082 0.000 0.760 28 S HN 0.687 nan 8.310 nan 0.000 0.501 29 L N 2.634 123.919 121.223 0.104 0.000 2.034 29 L HA -0.217 4.123 4.340 0.000 0.000 0.217 29 L C 2.461 179.360 176.870 0.048 0.000 1.077 29 L CA 2.704 57.583 54.840 0.065 0.000 0.769 29 L CB -1.259 40.835 42.059 0.060 0.000 0.890 29 L HN 1.013 nan 8.230 nan 0.000 0.435 30 E N -0.755 119.474 120.200 0.048 0.000 2.049 30 E HA -0.342 4.008 4.350 0.000 0.000 0.198 30 E C 2.063 178.688 176.600 0.042 0.000 1.007 30 E CA 1.524 57.948 56.400 0.041 0.000 0.809 30 E CB -0.253 29.470 29.700 0.039 0.000 0.749 30 E HN 0.675 nan 8.360 nan 0.000 0.450 31 E N 0.556 120.784 120.200 0.045 0.000 2.035 31 E HA -0.295 4.055 4.350 0.000 0.000 0.204 31 E C 1.864 178.490 176.600 0.043 0.000 1.025 31 E CA 2.163 58.590 56.400 0.045 0.000 0.835 31 E CB -0.647 29.080 29.700 0.045 0.000 0.764 31 E HN 0.361 nan 8.360 nan 0.000 0.457 32 A N 0.866 123.708 122.820 0.037 0.000 1.896 32 A HA -0.346 3.974 4.320 0.000 0.000 0.220 32 A C 2.275 179.876 177.584 0.028 0.000 1.206 32 A CA 2.513 54.566 52.037 0.027 0.000 0.647 32 A CB -0.881 18.128 19.000 0.016 0.000 0.828 32 A HN 0.361 nan 8.150 nan 0.000 0.455 33 R N -0.652 119.864 120.500 0.027 0.000 2.117 33 R HA -0.177 4.163 4.340 0.000 0.000 0.243 33 R C 2.097 178.414 176.300 0.028 0.000 1.143 33 R CA 1.717 57.829 56.100 0.021 0.000 0.968 33 R CB -0.607 29.705 30.300 0.020 0.000 0.863 33 R HN 0.751 nan 8.270 nan 0.000 0.444 34 N N 0.465 119.196 118.700 0.052 0.000 2.062 34 N HA -0.103 4.637 4.740 0.000 0.000 0.191 34 N C 1.978 177.556 175.510 0.112 0.000 1.042 34 N CA 0.980 54.087 53.050 0.094 0.000 0.845 34 N CB -0.093 38.451 38.487 0.094 0.000 1.024 34 N HN 0.082 nan 8.380 nan 0.000 0.424 35 I N 1.579 122.198 120.570 0.082 0.000 2.068 35 I HA -0.351 3.819 4.170 0.000 0.000 0.238 35 I C 2.188 178.344 176.117 0.066 0.000 1.046 35 I CA 1.357 62.704 61.300 0.078 0.000 1.306 35 I CB -0.532 37.499 38.000 0.051 0.000 1.023 35 I HN 0.189 nan 8.210 nan 0.000 0.399 36 L N 0.008 121.252 121.223 0.035 0.000 1.990 36 L HA -0.288 4.052 4.340 0.000 0.000 0.213 36 L C 2.749 179.608 176.870 -0.019 0.000 1.072 36 L CA 1.587 56.436 54.840 0.015 0.000 0.755 36 L CB -0.813 41.251 42.059 0.009 0.000 0.889 36 L HN 0.268 nan 8.230 nan 0.000 0.432 37 R N 0.122 120.590 120.500 -0.054 0.000 2.159 37 R HA -0.253 4.087 4.340 0.000 0.000 0.252 37 R C 1.332 177.403 176.300 -0.381 0.000 1.144 37 R CA 2.042 58.017 56.100 -0.210 0.000 0.961 37 R CB -0.508 29.673 30.300 -0.198 0.000 0.877 37 R HN 0.375 nan 8.270 nan 0.000 0.444 38 Y N -0.590 119.712 120.300 0.004 0.000 2.681 38 Y HA 0.345 4.895 4.550 0.000 0.000 0.267 38 Y C -0.287 175.615 175.900 0.003 0.000 1.166 38 Y CA -0.248 57.852 58.100 0.001 0.000 1.209 38 Y CB 0.616 39.077 38.460 0.001 0.000 1.161 38 Y HN -0.101 nan 8.280 nan 0.000 0.534 39 T N 0.737 115.346 114.554 0.091 0.000 2.817 39 T HA 0.037 4.387 4.350 0.000 0.000 0.293 39 T C 0.254 174.983 174.700 0.048 0.000 0.964 39 T CA -0.473 61.669 62.100 0.070 0.000 1.085 39 T CB 0.384 69.282 68.868 0.049 0.000 0.921 39 T HN 0.158 nan 8.240 nan 0.000 0.502 40 N N 3.996 122.726 118.700 0.050 0.000 3.298 40 N HA 0.117 4.857 4.740 0.000 0.000 0.292 40 N C -0.890 174.638 175.510 0.028 0.000 1.271 40 N CA -0.226 52.846 53.050 0.036 0.000 1.184 40 N CB -0.139 38.372 38.487 0.040 0.000 1.452 40 N HN 0.324 nan 8.380 nan 0.000 0.534 41 K N 0.735 121.150 120.400 0.025 0.000 2.542 41 K HA 0.133 4.453 4.320 0.000 0.000 0.259 41 K C 0.399 177.016 176.600 0.029 0.000 0.932 41 K CA -0.637 55.669 56.287 0.032 0.000 0.820 41 K CB 1.541 34.066 32.500 0.042 0.000 1.345 41 K HN 0.184 nan 8.250 nan 0.000 0.432 42 R N 1.279 121.802 120.500 0.037 0.000 2.139 42 R HA -0.154 4.186 4.340 0.000 0.000 0.243 42 R C 1.599 177.921 176.300 0.037 0.000 1.145 42 R CA 2.438 58.557 56.100 0.032 0.000 0.976 42 R CB -0.460 29.889 30.300 0.081 0.000 0.866 42 R HN 0.862 nan 8.270 nan 0.000 0.449 43 G N -0.172 108.689 108.800 0.102 0.000 2.422 43 G HA2 -0.280 3.680 3.960 0.000 0.000 0.218 43 G HA3 -0.280 3.680 3.960 0.000 0.000 0.218 43 G C 1.519 176.475 174.900 0.093 0.000 1.146 43 G CA 0.726 45.920 45.100 0.156 0.000 0.769 43 G HN 0.497 nan 8.290 nan 0.000 0.547 44 A N 0.569 123.419 122.820 0.050 0.000 1.884 44 A HA -0.213 4.107 4.320 0.000 0.000 0.219 44 A C 2.206 179.813 177.584 0.038 0.000 1.197 44 A CA 2.063 54.123 52.037 0.038 0.000 0.637 44 A CB -0.993 18.020 19.000 0.022 0.000 0.827 44 A HN 0.537 nan 8.150 nan 0.000 0.450 45 Y N 0.041 120.236 120.300 -0.175 0.000 2.069 45 Y HA -0.289 4.261 4.550 0.000 0.000 0.278 45 Y C 1.942 177.723 175.900 -0.197 0.000 1.175 45 Y CA 1.846 59.790 58.100 -0.260 0.000 1.134 45 Y CB -1.067 37.123 38.460 -0.450 0.000 0.965 45 Y HN 0.273 nan 8.280 nan 0.000 0.498 46 F N -0.578 119.201 119.950 -0.285 0.000 2.102 46 F HA -0.187 4.340 4.527 0.000 0.000 0.298 46 F C 2.624 178.316 175.800 -0.179 0.000 1.105 46 F CA 1.611 59.393 58.000 -0.363 0.000 1.239 46 F CB -1.428 37.441 39.000 -0.219 0.000 0.991 46 F HN -0.101 nan 8.300 nan 0.000 0.474 47 V N 0.270 120.245 119.914 0.100 0.000 2.287 47 V HA -0.336 3.784 4.120 0.000 0.000 0.248 47 V C 2.655 178.760 176.094 0.017 0.000 1.053 47 V CA 1.770 64.100 62.300 0.049 0.000 1.027 47 V CB -1.555 30.294 31.823 0.044 0.000 0.646 47 V HN 0.374 nan 8.190 nan 0.000 0.447 48 A N -0.249 122.582 122.820 0.019 0.000 1.869 48 A HA -0.315 4.006 4.320 0.000 0.000 0.218 48 A C 2.300 179.894 177.584 0.016 0.000 1.203 48 A CA 2.325 54.375 52.037 0.022 0.000 0.638 48 A CB -0.646 18.384 19.000 0.050 0.000 0.831 48 A HN 0.423 nan 8.150 nan 0.000 0.450 49 K N -0.701 119.701 120.400 0.004 0.000 2.032 49 K HA -0.203 4.117 4.320 0.000 0.000 0.218 49 K C 2.116 178.714 176.600 -0.003 0.000 1.054 49 K CA 1.858 58.145 56.287 -0.000 0.000 0.941 49 K CB -1.236 31.232 32.500 -0.054 0.000 0.720 49 K HN 0.543 nan 8.250 nan 0.000 0.449 50 V N 1.735 121.642 119.914 -0.011 0.000 2.453 50 V HA -0.122 3.998 4.120 0.000 0.000 0.247 50 V C 2.158 178.237 176.094 -0.025 0.000 1.048 50 V CA 1.295 63.583 62.300 -0.020 0.000 1.049 50 V CB -0.358 31.450 31.823 -0.025 0.000 0.672 50 V HN 0.332 nan 8.190 nan 0.000 0.457 51 L N 0.135 121.345 121.223 -0.021 0.000 2.187 51 L HA -0.154 4.186 4.340 0.000 0.000 0.213 51 L C 2.334 179.194 176.870 -0.017 0.000 1.100 51 L CA 2.702 57.526 54.840 -0.026 0.000 0.765 51 L CB -0.799 41.249 42.059 -0.018 0.000 0.904 51 L HN 0.483 nan 8.230 nan 0.000 0.437 52 E N -0.381 119.815 120.200 -0.006 0.000 2.060 52 E HA -0.144 4.206 4.350 0.000 0.000 0.189 52 E C 2.375 178.974 176.600 -0.003 0.000 0.974 52 E CA 1.297 57.697 56.400 0.000 0.000 0.808 52 E CB -0.110 29.596 29.700 0.010 0.000 0.768 52 E HN 0.398 nan 8.360 nan 0.000 0.453 53 S N -0.361 115.335 115.700 -0.005 0.000 2.400 53 S HA -0.214 4.256 4.470 0.000 0.000 0.232 53 S C 1.936 176.528 174.600 -0.014 0.000 1.025 53 S CA 1.357 59.553 58.200 -0.007 0.000 0.993 53 S CB -0.392 62.801 63.200 -0.012 0.000 0.808 53 S HN 0.367 nan 8.310 nan 0.000 0.478 54 A N 1.759 124.563 122.820 -0.027 0.000 1.841 54 A HA 0.104 4.424 4.320 0.000 0.000 0.216 54 A C 2.541 180.105 177.584 -0.033 0.000 1.199 54 A CA 2.188 54.200 52.037 -0.042 0.000 0.621 54 A CB -1.737 17.229 19.000 -0.057 0.000 0.835 54 A HN 0.822 nan 8.150 nan 0.000 0.445 55 A N -0.220 122.588 122.820 -0.020 0.000 1.869 55 A HA -0.033 4.287 4.320 0.000 0.000 0.218 55 A C 2.591 180.176 177.584 0.001 0.000 1.203 55 A CA 3.281 55.314 52.037 -0.007 0.000 0.638 55 A CB -1.459 17.542 19.000 0.003 0.000 0.831 55 A HN 1.400 nan 8.150 nan 0.000 0.450 56 A N 0.079 122.902 122.820 0.006 0.000 1.870 56 A HA -0.339 3.981 4.320 0.000 0.000 0.219 56 A C 1.921 179.521 177.584 0.028 0.000 1.224 56 A CA 2.214 54.260 52.037 0.015 0.000 0.650 56 A CB -1.320 17.688 19.000 0.013 0.000 0.836 56 A HN 0.771 nan 8.150 nan 0.000 0.454 57 N N -0.058 118.657 118.700 0.025 0.000 2.094 57 N HA -0.153 4.588 4.740 0.000 0.000 0.191 57 N C 2.017 177.574 175.510 0.078 0.000 1.023 57 N CA 1.065 54.150 53.050 0.059 0.000 0.857 57 N CB -0.313 38.195 38.487 0.035 0.000 1.013 57 N HN 0.564 nan 8.380 nan 0.000 0.426 58 A N 0.803 123.617 122.820 -0.011 0.000 1.873 58 A HA -0.142 4.178 4.320 0.000 0.000 0.218 58 A C 2.313 179.924 177.584 0.044 0.000 1.193 58 A CA 1.548 53.554 52.037 -0.052 0.000 0.629 58 A CB -0.883 18.086 19.000 -0.051 0.000 0.826 58 A HN 0.215 nan 8.150 nan 0.000 0.447 59 V N -0.266 119.676 119.914 0.047 0.000 3.235 59 V HA -0.037 4.083 4.120 0.000 0.000 0.259 59 V C 1.581 177.713 176.094 0.064 0.000 1.133 59 V CA 1.721 64.053 62.300 0.053 0.000 1.128 59 V CB -0.690 31.152 31.823 0.031 0.000 0.757 59 V HN 0.588 nan 8.190 nan 0.000 0.469 60 N N 0.440 119.185 118.700 0.075 0.000 2.402 60 N HA 0.065 4.805 4.740 0.000 0.000 0.174 60 N C 1.291 176.835 175.510 0.057 0.000 1.027 60 N CA 1.026 54.110 53.050 0.056 0.000 0.891 60 N CB -0.053 38.459 38.487 0.042 0.000 1.016 60 N HN 0.573 nan 8.380 nan 0.000 0.439 61 N N -1.032 117.746 118.700 0.129 0.000 2.184 61 N HA 0.092 4.832 4.740 0.000 0.000 0.206 61 N C -0.315 175.056 175.510 -0.232 0.000 1.151 61 N CA 0.215 53.259 53.050 -0.011 0.000 0.878 61 N CB 0.501 38.981 38.487 -0.012 0.000 1.014 61 N HN 0.256 nan 8.380 nan 0.000 0.512 62 H N -0.214 118.856 119.070 -0.000 0.000 3.394 62 H HA 0.018 4.574 4.556 0.000 0.000 0.256 62 H C -0.776 174.552 175.328 0.000 0.000 1.180 62 H CA -0.825 55.224 56.048 0.001 0.000 1.064 62 H CB -0.041 29.723 29.762 0.003 0.000 1.854 62 H HN 0.152 nan 8.280 nan 0.000 0.731 63 D N 1.288 121.753 120.400 0.108 0.000 2.859 63 D HA -0.272 4.368 4.640 0.000 0.000 0.215 63 D C 0.432 176.765 176.300 0.055 0.000 1.253 63 D CA 0.501 54.537 54.000 0.060 0.000 0.673 63 D CB -0.978 39.841 40.800 0.031 0.000 0.941 63 D HN 0.524 nan 8.370 nan 0.000 0.394 64 M N 0.188 119.824 119.600 0.059 0.000 2.561 64 M HA 0.119 4.599 4.480 0.000 0.000 0.238 64 M C 1.068 177.377 176.300 0.014 0.000 1.131 64 M CA -0.085 55.236 55.300 0.036 0.000 1.046 64 M CB 0.198 32.814 32.600 0.026 0.000 1.532 64 M HN 0.428 nan 8.290 nan 0.000 0.497 65 L N 1.448 122.679 121.223 0.015 0.000 2.794 65 L HA -0.251 4.089 4.340 0.000 0.000 0.613 65 L C 0.921 177.795 176.870 0.006 0.000 1.002 65 L CA -0.145 54.697 54.840 0.004 0.000 1.323 65 L CB -0.029 42.023 42.059 -0.012 0.000 1.787 65 L HN 0.459 nan 8.230 nan 0.000 0.859 66 E N 2.773 122.980 120.200 0.012 0.000 2.055 66 E HA -0.296 4.054 4.350 0.000 0.000 0.209 66 E C 0.996 177.607 176.600 0.018 0.000 1.036 66 E CA 2.449 58.858 56.400 0.016 0.000 0.849 66 E CB 0.018 29.727 29.700 0.016 0.000 0.767 66 E HN 0.845 nan 8.360 nan 0.000 0.461 67 D N -0.460 119.948 120.400 0.013 0.000 2.397 67 D HA -0.168 4.472 4.640 0.000 0.000 0.219 67 D C 1.417 177.725 176.300 0.014 0.000 0.975 67 D CA 0.644 54.654 54.000 0.017 0.000 0.940 67 D CB -0.007 40.801 40.800 0.013 0.000 0.884 67 D HN 0.144 nan 8.370 nan 0.000 0.505 68 R N -0.290 120.209 120.500 -0.002 0.000 2.397 68 R HA 0.215 4.555 4.340 0.000 0.000 0.241 68 R C 0.707 177.009 176.300 0.003 0.000 0.914 68 R CA -0.191 55.892 56.100 -0.029 0.000 1.071 68 R CB 0.433 30.685 30.300 -0.080 0.000 1.116 68 R HN 0.205 nan 8.270 nan 0.000 0.524 69 L N 1.467 122.725 121.223 0.057 0.000 2.467 69 L HA 0.179 4.519 4.340 0.000 0.000 0.270 69 L C 0.060 177.077 176.870 0.244 0.000 1.205 69 L CA -0.039 54.884 54.840 0.139 0.000 0.828 69 L CB 0.158 42.270 42.059 0.088 0.000 1.101 69 L HN 0.153 nan 8.230 nan 0.000 0.479 70 Y N -1.461 118.836 120.300 -0.004 0.000 2.573 70 Y HA 0.386 4.936 4.550 0.000 0.000 0.328 70 Y C -0.990 174.900 175.900 -0.016 0.000 1.170 70 Y CA -1.657 56.442 58.100 -0.002 0.000 1.078 70 Y CB 0.897 39.363 38.460 0.010 0.000 1.341 70 Y HN 0.053 nan 8.280 nan 0.000 0.459 71 V N 4.898 124.695 119.914 -0.195 0.000 2.382 71 V HA -0.051 4.069 4.120 0.000 0.000 0.250 71 V C 1.367 177.104 176.094 -0.594 0.000 1.069 71 V CA 0.593 62.710 62.300 -0.305 0.000 1.130 71 V CB -0.020 31.698 31.823 -0.175 0.000 1.165 71 V HN 0.847 nan 8.190 nan 0.000 0.483 72 K N 5.016 124.992 120.400 -0.707 0.000 2.000 72 K HA -0.084 4.236 4.320 0.000 0.000 0.218 72 K C 0.646 177.018 176.600 -0.381 0.000 1.053 72 K CA 2.024 57.894 56.287 -0.695 0.000 0.946 72 K CB -0.029 32.268 32.500 -0.339 0.000 0.723 72 K HN 0.810 nan 8.250 nan 0.000 0.446 73 A N -1.897 120.758 122.820 -0.274 0.000 2.610 73 A HA 0.790 5.110 4.320 0.000 0.000 0.291 73 A C -1.534 175.882 177.584 -0.280 0.000 1.086 73 A CA -0.470 51.447 52.037 -0.199 0.000 0.677 73 A CB 1.258 20.192 19.000 -0.110 0.000 1.278 73 A HN 0.591 nan 8.150 nan 0.000 0.414 74 A N -0.486 122.152 122.820 -0.304 0.000 2.586 74 A HA 0.989 5.309 4.320 0.000 0.000 0.290 74 A C -1.290 176.047 177.584 -0.411 0.000 1.086 74 A CA 0.059 51.806 52.037 -0.484 0.000 0.665 74 A CB 0.965 19.808 19.000 -0.262 0.000 1.279 74 A HN 2.527 nan 8.150 nan 0.000 0.423 75 Y N -3.502 116.791 120.300 -0.012 0.000 2.972 75 Y HA 0.631 5.181 4.550 0.000 0.000 0.387 75 Y C -1.391 174.513 175.900 0.007 0.000 1.212 75 Y CA -0.915 57.184 58.100 -0.003 0.000 1.147 75 Y CB 0.308 38.766 38.460 -0.004 0.000 1.561 75 Y HN 1.789 nan 8.280 nan 0.000 0.454 76 V N 1.436 121.550 119.914 0.333 0.000 2.733 76 V HA 0.707 4.827 4.120 0.000 0.000 0.306 76 V C -1.667 174.496 176.094 0.115 0.000 1.084 76 V CA -0.281 62.147 62.300 0.213 0.000 0.905 76 V CB 1.819 33.709 31.823 0.111 0.000 1.010 76 V HN 0.870 nan 8.190 nan 0.000 0.424 77 D N 3.330 123.782 120.400 0.087 0.000 2.326 77 D HA 0.405 5.046 4.640 0.000 0.000 0.248 77 D C -0.676 175.546 176.300 -0.131 0.000 1.001 77 D CA -0.247 53.735 54.000 -0.029 0.000 0.961 77 D CB 2.306 43.092 40.800 -0.022 0.000 1.183 77 D HN 0.825 nan 8.370 nan 0.000 0.502 78 E N -0.308 119.788 120.200 -0.173 0.000 2.313 78 E HA 0.473 4.823 4.350 0.000 0.000 0.276 78 E C -0.319 176.036 176.600 -0.408 0.000 1.031 78 E CA -0.408 55.857 56.400 -0.225 0.000 0.857 78 E CB 0.906 30.520 29.700 -0.143 0.000 1.040 78 E HN 0.448 nan 8.360 nan 0.000 0.408 79 G N 3.804 112.339 108.800 -0.442 0.000 2.441 79 G HA2 0.435 4.395 3.960 0.000 0.000 0.334 79 G HA3 0.435 4.395 3.960 0.000 0.000 0.334 79 G C -2.384 172.348 174.900 -0.280 0.000 1.161 79 G CA -1.812 42.981 45.100 -0.512 0.000 0.935 79 G HN 0.606 nan 8.290 nan 0.000 0.488 80 P HA 0.157 nan 4.420 nan 0.000 0.256 80 P C 0.381 177.575 177.300 -0.178 0.000 1.189 80 P CA 0.215 63.199 63.100 -0.194 0.000 0.808 80 P CB 0.332 31.907 31.700 -0.207 0.000 0.793 81 A N 5.090 127.833 122.820 -0.129 0.000 2.448 81 A HA 0.245 4.565 4.320 0.000 0.000 0.239 81 A C 0.082 177.616 177.584 -0.083 0.000 1.080 81 A CA -0.171 51.806 52.037 -0.100 0.000 0.779 81 A CB -0.108 18.846 19.000 -0.077 0.000 1.026 81 A HN 0.486 nan 8.150 nan 0.000 0.499 82 L N 1.858 123.042 121.223 -0.066 0.000 2.257 82 L HA 0.290 4.630 4.340 0.000 0.000 0.290 82 L C 0.329 177.178 176.870 -0.036 0.000 1.044 82 L CA 0.383 55.193 54.840 -0.050 0.000 0.810 82 L CB 0.947 42.982 42.059 -0.040 0.000 1.193 82 L HN 0.611 nan 8.230 nan 0.000 0.425 83 K N 5.005 125.386 120.400 -0.033 0.000 2.285 83 K HA 0.437 4.757 4.320 0.000 0.000 0.286 83 K C -0.256 176.333 176.600 -0.018 0.000 1.072 83 K CA -0.642 55.630 56.287 -0.025 0.000 0.913 83 K CB 0.987 33.472 32.500 -0.025 0.000 1.067 83 K HN 0.336 nan 8.250 nan 0.000 0.479 84 R N 1.523 122.014 120.500 -0.014 0.000 2.832 84 R HA 0.445 4.785 4.340 0.000 0.000 0.271 84 R C -0.315 175.980 176.300 -0.008 0.000 0.996 84 R CA -0.993 55.102 56.100 -0.009 0.000 0.977 84 R CB 1.583 31.879 30.300 -0.007 0.000 1.168 84 R HN 0.254 nan 8.270 nan 0.000 0.482 85 V N 2.386 122.297 119.914 -0.005 0.000 2.743 85 V HA 0.388 4.508 4.120 0.000 0.000 0.301 85 V C -0.345 175.747 176.094 -0.003 0.000 1.057 85 V CA -0.710 61.587 62.300 -0.004 0.000 1.006 85 V CB 1.490 33.311 31.823 -0.004 0.000 1.024 85 V HN 0.501 nan 8.190 nan 0.000 0.473 86 L N 6.587 127.808 121.223 -0.002 0.000 2.555 86 L HA 0.595 4.935 4.340 0.000 0.000 0.264 86 L C -2.778 174.091 176.870 -0.001 0.000 0.972 86 L CA -1.874 52.965 54.840 -0.001 0.000 0.876 86 L CB 2.104 44.162 42.059 -0.001 0.000 1.216 86 L HN 0.429 nan 8.230 nan 0.000 0.415 87 P HA 0.276 nan 4.420 nan 0.000 0.271 87 P C -0.889 176.411 177.300 -0.000 0.000 1.226 87 P CA -0.099 63.000 63.100 -0.000 0.000 0.765 87 P CB 0.974 32.674 31.700 0.000 0.000 0.835 88 R N 1.927 122.427 120.500 -0.001 0.000 2.875 88 R HA 0.664 5.004 4.340 0.000 0.000 0.251 88 R C 0.188 176.488 176.300 -0.000 0.000 1.123 88 R CA -1.202 54.898 56.100 -0.000 0.000 1.064 88 R CB 0.595 30.894 30.300 -0.001 0.000 1.205 88 R HN 0.526 nan 8.270 nan 0.000 0.503 89 A N 0.863 123.683 122.820 -0.000 0.000 2.547 89 A HA 0.063 4.383 4.320 0.000 0.000 0.233 89 A C 0.239 177.823 177.584 -0.000 0.000 1.067 89 A CA 0.302 52.339 52.037 -0.000 0.000 0.763 89 A CB -0.097 18.903 19.000 0.000 0.000 1.007 89 A HN 0.727 nan 8.150 nan 0.000 0.506 90 R N 0.023 120.523 120.500 -0.000 0.000 3.758 90 R HA -0.208 4.132 4.340 0.000 0.000 0.299 90 R C 0.969 177.269 176.300 -0.001 0.000 1.182 90 R CA 0.905 57.005 56.100 -0.000 0.000 0.809 90 R CB -2.463 27.836 30.300 -0.001 0.000 1.249 90 R HN 2.473 nan 8.270 nan 0.000 0.497 91 G N 0.514 109.313 108.800 -0.001 0.000 2.356 91 G HA2 -0.387 3.574 3.960 0.000 0.000 0.296 91 G HA3 -0.387 3.574 3.960 0.000 0.000 0.296 91 G C 0.711 175.610 174.900 -0.001 0.000 1.022 91 G CA 0.822 45.922 45.100 -0.001 0.000 0.961 91 G HN 0.571 nan 8.290 nan 0.000 0.510 92 R N 0.677 121.176 120.500 -0.001 0.000 2.055 92 R HA 0.388 4.728 4.340 0.000 0.000 0.226 92 R C 1.647 177.946 176.300 -0.002 0.000 1.135 92 R CA 1.360 57.459 56.100 -0.002 0.000 0.959 92 R CB -0.258 30.041 30.300 -0.002 0.000 0.854 92 R HN 1.873 nan 8.270 nan 0.000 0.431 93 A N 2.240 125.059 122.820 -0.002 0.000 1.641 93 A HA -0.125 4.195 4.320 0.000 0.000 0.211 93 A C -1.300 176.282 177.584 -0.003 0.000 1.300 93 A CA 0.701 52.736 52.037 -0.002 0.000 0.653 93 A CB -1.215 17.784 19.000 -0.002 0.000 1.164 93 A HN 0.519 nan 8.150 nan 0.000 0.206 94 D N 0.603 121.001 120.400 -0.003 0.000 2.268 94 D HA 0.703 5.343 4.640 0.000 0.000 0.249 94 D C 0.822 177.119 176.300 -0.005 0.000 1.008 94 D CA 0.312 54.310 54.000 -0.004 0.000 0.939 94 D CB 1.328 42.126 40.800 -0.004 0.000 1.170 94 D HN 1.031 nan 8.370 nan 0.000 0.468 95 I N -1.155 119.411 120.570 -0.007 0.000 2.354 95 I HA 0.490 4.660 4.170 0.000 0.000 0.292 95 I C -0.536 175.576 176.117 -0.009 0.000 0.989 95 I CA -0.850 60.445 61.300 -0.008 0.000 1.188 95 I CB 1.063 39.057 38.000 -0.010 0.000 1.342 95 I HN 0.042 nan 8.210 nan 0.000 0.457 96 I N 5.988 126.553 120.570 -0.009 0.000 2.713 96 I HA 0.323 4.493 4.170 0.000 0.000 0.300 96 I C 0.037 176.146 176.117 -0.013 0.000 1.009 96 I CA -0.137 61.157 61.300 -0.009 0.000 1.305 96 I CB 0.960 38.957 38.000 -0.005 0.000 1.430 96 I HN 0.568 nan 8.210 nan 0.000 0.546 97 K N 5.679 126.070 120.400 -0.015 0.000 2.521 97 K HA 0.269 4.589 4.320 0.000 0.000 0.248 97 K C -0.955 175.631 176.600 -0.022 0.000 0.978 97 K CA -0.872 55.402 56.287 -0.022 0.000 0.947 97 K CB 1.010 33.494 32.500 -0.027 0.000 1.165 97 K HN 0.271 nan 8.250 nan 0.000 0.445 98 K N 3.589 123.975 120.400 -0.023 0.000 2.166 98 K HA 0.113 4.433 4.320 0.000 0.000 0.273 98 K C 0.338 176.916 176.600 -0.037 0.000 1.095 98 K CA 0.049 56.324 56.287 -0.021 0.000 0.985 98 K CB 0.035 32.525 32.500 -0.017 0.000 1.172 98 K HN 0.339 nan 8.250 nan 0.000 0.401 99 R N 0.401 120.879 120.500 -0.037 0.000 2.738 99 R HA 0.122 4.462 4.340 0.000 0.000 0.268 99 R C 0.739 176.999 176.300 -0.066 0.000 1.062 99 R CA 0.274 56.341 56.100 -0.055 0.000 1.158 99 R CB 0.540 30.812 30.300 -0.047 0.000 1.046 99 R HN 0.395 nan 8.270 nan 0.000 0.493 100 T N -0.227 114.270 114.554 -0.095 0.000 2.907 100 T HA 0.499 4.849 4.350 0.000 0.000 0.292 100 T C -0.813 173.817 174.700 -0.116 0.000 1.043 100 T CA -0.606 61.434 62.100 -0.101 0.000 1.003 100 T CB 1.365 70.163 68.868 -0.117 0.000 1.084 100 T HN 0.481 nan 8.240 nan 0.000 0.483 101 S N 1.757 117.416 115.700 -0.068 0.000 2.600 101 S HA 0.540 5.010 4.470 0.000 0.000 0.300 101 S C -1.236 173.454 174.600 0.151 0.000 1.087 101 S CA -0.775 57.402 58.200 -0.038 0.000 0.965 101 S CB 1.023 64.202 63.200 -0.035 0.000 1.089 101 S HN 0.808 nan 8.310 nan 0.000 0.496 102 H N 1.004 120.087 119.070 0.021 0.000 2.866 102 H HA 0.381 4.937 4.556 0.000 0.000 0.287 102 H C -0.862 174.500 175.328 0.056 0.000 1.106 102 H CA -0.558 55.519 56.048 0.049 0.000 1.396 102 H CB 0.577 30.386 29.762 0.079 0.000 1.469 102 H HN 0.391 nan 8.280 nan 0.000 0.500 103 I N 3.564 124.212 120.570 0.131 0.000 2.291 103 I HA 0.134 4.304 4.170 0.000 0.000 0.292 103 I C 0.160 176.305 176.117 0.046 0.000 1.064 103 I CA -0.116 61.234 61.300 0.084 0.000 1.269 103 I CB 0.698 38.719 38.000 0.035 0.000 1.418 103 I HN 0.415 nan 8.210 nan 0.000 0.485 104 T N 5.824 120.410 114.554 0.055 0.000 2.829 104 T HA 0.533 4.883 4.350 0.000 0.000 0.282 104 T C -0.094 174.427 174.700 -0.298 0.000 0.990 104 T CA -0.444 61.615 62.100 -0.068 0.000 1.028 104 T CB 2.040 70.972 68.868 0.107 0.000 0.951 104 T HN 0.261 nan 8.240 nan 0.000 0.460 105 V N 5.236 125.013 119.914 -0.229 0.000 2.509 105 V HA 0.373 4.493 4.120 0.000 0.000 0.289 105 V C -0.098 175.876 176.094 -0.201 0.000 1.026 105 V CA -0.965 61.188 62.300 -0.245 0.000 0.872 105 V CB 1.030 32.761 31.823 -0.154 0.000 1.017 105 V HN 0.857 nan 8.190 nan 0.000 0.436 106 I N 2.564 122.994 120.570 -0.234 0.000 2.365 106 I HA 0.690 4.860 4.170 0.000 0.000 0.291 106 I C -0.803 175.211 176.117 -0.171 0.000 1.004 106 I CA -0.435 60.764 61.300 -0.168 0.000 1.311 106 I CB 1.314 39.232 38.000 -0.136 0.000 1.401 106 I HN 0.326 nan 8.210 nan 0.000 0.491 107 L N 5.298 126.441 121.223 -0.134 0.000 2.352 107 L HA 0.923 5.263 4.340 0.000 0.000 0.269 107 L C 0.392 177.231 176.870 -0.052 0.000 1.034 107 L CA 0.043 54.818 54.840 -0.109 0.000 0.806 107 L CB 1.682 43.701 42.059 -0.067 0.000 1.244 107 L HN 0.949 nan 8.230 nan 0.000 0.447 108 G N 0.877 109.716 108.800 0.065 0.000 2.727 108 G HA2 0.590 4.550 3.960 0.000 0.000 0.289 108 G HA3 0.590 4.550 3.960 0.000 0.000 0.289 108 G C -1.401 173.732 174.900 0.387 0.000 1.418 108 G CA -0.499 44.755 45.100 0.257 0.000 0.818 108 G HN 0.477 nan 8.290 nan 0.000 0.486 109 E N -0.377 119.944 120.200 0.201 0.000 2.232 109 E HA 0.476 4.826 4.350 0.000 0.000 0.265 109 E C -0.259 176.189 176.600 -0.253 0.000 1.001 109 E CA -0.716 55.686 56.400 0.003 0.000 0.870 109 E CB 2.182 31.867 29.700 -0.024 0.000 1.175 109 E HN 0.273 nan 8.360 nan 0.000 0.407 110 K N 0.662 120.885 120.400 -0.295 0.000 2.842 110 K HA 0.106 4.426 4.320 0.000 0.000 0.310 110 K C -0.039 176.478 176.600 -0.138 0.000 0.992 110 K CA -0.357 55.736 56.287 -0.323 0.000 1.207 110 K CB -0.067 32.367 32.500 -0.110 0.000 1.478 110 K HN 0.591 nan 8.250 nan 0.000 0.601 111 H N -1.237 117.731 119.070 -0.170 0.000 3.095 111 H HA 0.085 4.642 4.556 0.000 0.000 0.351 111 H C 0.258 175.543 175.328 -0.071 0.000 1.123 111 H CA 0.824 56.812 56.048 -0.100 0.000 1.368 111 H CB -0.147 29.569 29.762 -0.076 0.000 1.293 111 H HN 0.591 nan 8.280 nan 0.000 0.606 112 G N -0.196 108.564 108.800 -0.067 0.000 5.414 112 G HA2 0.449 4.409 3.960 0.000 0.000 0.202 112 G HA3 0.449 4.409 3.960 0.000 0.000 0.202 112 G C 0.284 175.161 174.900 -0.039 0.000 0.727 112 G CA 0.135 45.168 45.100 -0.112 0.000 0.670 112 G HN 0.918 nan 8.290 nan 0.000 0.442 113 K N 0.000 120.404 120.400 0.007 0.000 2.780 113 K HA 0.000 4.320 4.320 0.000 0.000 0.191 113 K CA 0.000 56.300 56.287 0.021 0.000 0.838 113 K CB 0.000 32.527 32.500 0.045 0.000 1.064 113 K HN 0.000 nan 8.250 nan 0.000 0.543