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 1u8t_1_D DATA FIRST_RESID 2 DATA SEQUENCE ADKELKFLVV DKFSTXRRIV RNLLKELGFN NVEEAEDGVD ALNKLQAGGY DATA SEQUENCE GFVISDWNXP NXDGLELLKT IRADGAXSAL PVLXVTAEAK KENIIAAAQA DATA SEQUENCE GASGWVVKPF TAATLEEKLN KIFEKLG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.572 177.584 -0.020 0.000 1.274 2 A CA 0.000 51.767 52.037 -0.449 0.000 0.836 2 A CB 0.000 18.314 19.000 -1.143 0.000 0.831 3 D N -0.049 120.338 120.400 -0.023 0.000 2.571 3 D HA 0.116 4.755 4.640 -0.001 0.000 0.231 3 D C 0.743 177.149 176.300 0.175 0.000 1.133 3 D CA 0.464 54.491 54.000 0.045 0.000 0.862 3 D CB 0.799 41.614 40.800 0.025 0.000 1.179 3 D HN 0.367 nan 8.370 nan 0.000 0.474 4 K N 2.047 122.476 120.400 0.048 0.000 2.365 4 K HA -0.030 4.290 4.320 -0.001 0.000 0.199 4 K C 1.296 177.994 176.600 0.163 0.000 1.045 4 K CA 0.641 56.927 56.287 -0.002 0.000 0.962 4 K CB 0.037 32.464 32.500 -0.122 0.000 0.759 4 K HN 0.593 nan 8.250 nan 0.000 0.469 5 E N 0.161 120.449 120.200 0.145 0.000 2.479 5 E HA -0.016 4.333 4.350 -0.001 0.000 0.193 5 E C -0.343 176.364 176.600 0.179 0.000 1.049 5 E CA -0.226 56.257 56.400 0.138 0.000 0.870 5 E CB 0.185 29.923 29.700 0.062 0.000 0.944 5 E HN 0.004 nan 8.360 nan 0.000 0.492 6 L N 2.553 123.924 121.223 0.248 0.000 2.706 6 L HA -0.121 4.218 4.340 -0.001 0.000 0.282 6 L C 0.072 177.045 176.870 0.172 0.000 1.219 6 L CA 1.124 56.058 54.840 0.156 0.000 0.935 6 L CB 0.144 42.287 42.059 0.140 0.000 1.204 6 L HN -0.192 nan 8.230 nan 0.000 0.491 7 K N 5.253 125.670 120.400 0.028 0.000 2.310 7 K HA 0.238 4.557 4.320 -0.001 0.000 0.290 7 K C -0.981 175.680 176.600 0.102 0.000 1.077 7 K CA -0.350 55.960 56.287 0.038 0.000 0.922 7 K CB 0.184 32.562 32.500 -0.203 0.000 1.057 7 K HN 0.432 nan 8.250 nan 0.000 0.479 8 F N 3.669 123.722 119.950 0.171 0.000 2.399 8 F HA 0.379 4.905 4.527 -0.002 0.000 0.328 8 F C -0.068 175.932 175.800 0.333 0.000 1.084 8 F CA -0.998 57.147 58.000 0.243 0.000 1.053 8 F CB 1.072 40.138 39.000 0.110 0.000 1.209 8 F HN 0.304 nan 8.300 nan 0.000 0.502 9 L N 3.246 124.756 121.223 0.480 0.000 2.343 9 L HA 0.628 4.967 4.340 -0.001 0.000 0.278 9 L C -1.314 175.694 176.870 0.230 0.000 0.996 9 L CA -0.478 54.531 54.840 0.283 0.000 0.831 9 L CB 1.345 43.382 42.059 -0.037 0.000 1.232 9 L HN 0.332 nan 8.230 nan 0.000 0.413 10 V N 6.107 126.138 119.914 0.196 0.000 2.350 10 V HA 0.467 4.586 4.120 -0.001 0.000 0.276 10 V C -0.378 175.780 176.094 0.106 0.000 1.028 10 V CA -0.551 61.846 62.300 0.163 0.000 0.860 10 V CB 1.567 33.479 31.823 0.149 0.000 0.990 10 V HN 0.511 nan 8.190 nan 0.000 0.453 11 V N 4.162 124.131 119.914 0.092 0.000 2.357 11 V HA 0.660 4.779 4.120 -0.001 0.000 0.284 11 V C -0.444 175.682 176.094 0.052 0.000 1.018 11 V CA -0.407 61.922 62.300 0.049 0.000 0.841 11 V CB 1.558 33.389 31.823 0.015 0.000 0.991 11 V HN 0.905 nan 8.190 nan 0.000 0.437 12 D N 3.179 123.597 120.400 0.030 0.000 2.769 12 D HA 0.206 4.845 4.640 -0.001 0.000 0.219 12 D C 0.528 176.792 176.300 -0.060 0.000 1.245 12 D CA -0.501 53.505 54.000 0.010 0.000 0.801 12 D CB 2.578 43.424 40.800 0.076 0.000 1.598 12 D HN 0.605 nan 8.370 nan 0.000 0.485 13 K N 1.378 121.656 120.400 -0.204 0.000 2.365 13 K HA 0.053 4.372 4.320 -0.001 0.000 0.199 13 K C 0.348 176.778 176.600 -0.284 0.000 1.045 13 K CA 0.611 56.709 56.287 -0.314 0.000 0.962 13 K CB -0.008 32.204 32.500 -0.480 0.000 0.759 13 K HN 0.148 nan 8.250 nan 0.000 0.469 14 F N 2.541 122.509 119.950 0.030 0.000 2.405 14 F HA 0.104 4.631 4.527 -0.001 0.000 0.355 14 F C 1.607 177.420 175.800 0.022 0.000 1.121 14 F CA -1.034 56.980 58.000 0.023 0.000 1.112 14 F CB 1.669 40.682 39.000 0.021 0.000 1.126 14 F HN 0.063 nan 8.300 nan 0.000 0.481 15 S N 0.682 116.521 115.700 0.231 0.000 2.370 15 S HA -0.138 4.331 4.470 -0.001 0.000 0.226 15 S C 1.080 175.743 174.600 0.105 0.000 1.033 15 S CA 1.018 59.296 58.200 0.129 0.000 1.011 15 S CB -0.737 62.520 63.200 0.094 0.000 0.852 15 S HN 0.595 nan 8.310 nan 0.000 0.457 19 R N 1.572 122.100 120.500 0.047 0.000 2.081 19 R HA 0.033 4.372 4.340 -0.001 0.000 0.235 19 R C 1.985 178.291 176.300 0.010 0.000 1.131 19 R CA 1.703 57.820 56.100 0.029 0.000 0.960 19 R CB -0.174 30.139 30.300 0.022 0.000 0.856 19 R HN 0.128 nan 8.270 nan 0.000 0.436 20 I N -0.194 120.372 120.570 -0.006 0.000 2.113 20 I HA -0.291 3.878 4.170 -0.001 0.000 0.238 20 I C 2.233 178.327 176.117 -0.038 0.000 1.070 20 I CA 1.192 62.466 61.300 -0.043 0.000 1.332 20 I CB -0.263 37.684 38.000 -0.089 0.000 1.044 20 I HN 0.008 nan 8.210 nan 0.000 0.402 21 V N 0.728 120.637 119.914 -0.008 0.000 2.287 21 V HA -0.332 3.787 4.120 -0.001 0.000 0.248 21 V C 2.605 178.719 176.094 0.033 0.000 1.053 21 V CA 2.192 64.526 62.300 0.056 0.000 1.027 21 V CB -0.872 31.040 31.823 0.148 0.000 0.646 21 V HN 0.408 nan 8.190 nan 0.000 0.447 22 R N 0.317 120.833 120.500 0.026 0.000 2.091 22 R HA -0.208 4.131 4.340 -0.001 0.000 0.238 22 R C 2.107 178.405 176.300 -0.005 0.000 1.136 22 R CA 2.313 58.419 56.100 0.010 0.000 0.959 22 R CB -0.305 30.014 30.300 0.031 0.000 0.856 22 R HN 0.605 nan 8.270 nan 0.000 0.437 23 N N -0.216 118.483 118.700 -0.001 0.000 2.244 23 N HA -0.068 4.671 4.740 -0.001 0.000 0.183 23 N C 1.530 177.038 175.510 -0.004 0.000 1.016 23 N CA 0.994 54.041 53.050 -0.004 0.000 0.866 23 N CB 0.030 38.512 38.487 -0.008 0.000 0.980 23 N HN 0.177 nan 8.380 nan 0.000 0.430 24 L N 0.067 121.290 121.223 0.001 0.000 2.093 24 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 24 L C 1.925 178.807 176.870 0.020 0.000 1.085 24 L CA 0.793 55.648 54.840 0.024 0.000 0.755 24 L CB -0.392 41.709 42.059 0.071 0.000 0.904 24 L HN 0.219 nan 8.230 nan 0.000 0.435 25 L N -0.159 121.049 121.223 -0.026 0.000 2.046 25 L HA -0.242 4.097 4.340 -0.001 0.000 0.208 25 L C 2.743 179.620 176.870 0.013 0.000 1.077 25 L CA 1.333 56.123 54.840 -0.084 0.000 0.747 25 L CB -0.426 41.453 42.059 -0.300 0.000 0.896 25 L HN 0.246 nan 8.230 nan 0.000 0.432 26 K N 0.264 120.662 120.400 -0.003 0.000 2.097 26 K HA -0.205 4.114 4.320 -0.001 0.000 0.206 26 K C 1.857 178.453 176.600 -0.007 0.000 1.049 26 K CA 1.443 57.731 56.287 0.003 0.000 0.933 26 K CB 0.058 32.558 32.500 0.001 0.000 0.717 26 K HN 0.387 nan 8.250 nan 0.000 0.442 27 E N 0.338 120.539 120.200 0.001 0.000 2.204 27 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 27 E C 1.639 178.233 176.600 -0.009 0.000 0.989 27 E CA 0.693 57.091 56.400 -0.004 0.000 0.824 27 E CB 0.066 29.769 29.700 0.006 0.000 0.756 27 E HN 0.319 nan 8.360 nan 0.000 0.477 28 L N -0.561 120.670 121.223 0.014 0.000 2.599 28 L HA 0.133 4.472 4.340 -0.001 0.000 0.230 28 L C 1.418 178.176 176.870 -0.187 0.000 1.141 28 L CA 0.449 55.297 54.840 0.013 0.000 0.877 28 L CB 0.011 42.186 42.059 0.193 0.000 1.009 28 L HN 0.306 nan 8.230 nan 0.000 0.447 29 G N -0.169 108.521 108.800 -0.184 0.000 2.176 29 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.232 29 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.232 29 G C 0.052 174.737 174.900 -0.359 0.000 0.986 29 G CA -0.536 44.387 45.100 -0.296 0.000 0.643 29 G HN 0.221 nan 8.290 nan 0.000 0.522 30 F N 1.836 121.763 119.950 -0.040 0.000 2.335 30 F HA 0.458 4.985 4.527 -0.001 0.000 0.365 30 F C 1.232 177.001 175.800 -0.053 0.000 1.122 30 F CA -0.770 57.208 58.000 -0.037 0.000 1.151 30 F CB 0.910 39.803 39.000 -0.178 0.000 1.282 30 F HN -0.073 nan 8.300 nan 0.000 0.513 31 N N 1.206 119.993 118.700 0.145 0.000 2.356 31 N HA -0.070 4.669 4.740 -0.001 0.000 0.178 31 N C 0.262 175.843 175.510 0.118 0.000 1.075 31 N CA 0.237 53.343 53.050 0.093 0.000 0.889 31 N CB 0.122 38.639 38.487 0.050 0.000 0.999 31 N HN 0.352 nan 8.380 nan 0.000 0.464 32 N N 1.721 120.530 118.700 0.181 0.000 2.739 32 N HA 0.094 4.833 4.740 -0.001 0.000 0.266 32 N C -1.358 174.289 175.510 0.229 0.000 1.168 32 N CA 0.144 53.296 53.050 0.171 0.000 1.055 32 N CB -0.022 38.560 38.487 0.158 0.000 1.393 32 N HN -0.203 nan 8.380 nan 0.000 0.514 33 V N 2.421 122.440 119.914 0.174 0.000 2.588 33 V HA 0.427 4.546 4.120 -0.001 0.000 0.304 33 V C -0.095 176.110 176.094 0.184 0.000 1.042 33 V CA -0.870 61.551 62.300 0.203 0.000 0.877 33 V CB 2.053 33.951 31.823 0.125 0.000 0.996 33 V HN 0.339 nan 8.190 nan 0.000 0.425 34 E N 2.795 123.148 120.200 0.255 0.000 2.263 34 E HA 0.648 4.997 4.350 -0.001 0.000 0.264 34 E C -0.959 175.758 176.600 0.195 0.000 0.923 34 E CA -0.667 55.876 56.400 0.239 0.000 0.802 34 E CB 2.929 32.847 29.700 0.364 0.000 1.228 34 E HN 0.732 nan 8.360 nan 0.000 0.417 35 E N 0.000 120.282 120.200 0.136 0.000 2.299 35 E HA 0.776 5.125 4.350 -0.001 0.000 0.265 35 E C -1.163 175.474 176.600 0.062 0.000 0.911 35 E CA -1.098 55.360 56.400 0.097 0.000 0.789 35 E CB 2.284 32.034 29.700 0.082 0.000 1.246 35 E HN 0.463 nan 8.360 nan 0.000 0.427 36 A N 1.066 123.910 122.820 0.039 0.000 2.549 36 A HA 0.315 4.634 4.320 -0.001 0.000 0.297 36 A C -0.141 177.444 177.584 0.003 0.000 1.061 36 A CA -0.695 51.347 52.037 0.009 0.000 0.690 36 A CB 1.122 20.108 19.000 -0.023 0.000 1.287 36 A HN 0.849 nan 8.150 nan 0.000 0.402 37 E N 0.444 120.637 120.200 -0.011 0.000 2.476 37 E HA 0.257 4.606 4.350 -0.001 0.000 0.199 37 E C -0.161 176.406 176.600 -0.054 0.000 1.021 37 E CA 0.596 56.980 56.400 -0.027 0.000 0.907 37 E CB 0.167 29.855 29.700 -0.021 0.000 0.974 37 E HN 0.668 nan 8.360 nan 0.000 0.489 38 D N -1.678 118.692 120.400 -0.051 0.000 2.692 38 D HA 0.154 4.793 4.640 -0.001 0.000 0.290 38 D C 0.878 177.139 176.300 -0.065 0.000 1.281 38 D CA -0.324 53.637 54.000 -0.065 0.000 0.804 38 D CB 0.368 41.128 40.800 -0.066 0.000 1.331 38 D HN -0.122 nan 8.370 nan 0.000 0.432 39 G N -0.519 108.235 108.800 -0.077 0.000 2.422 39 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.218 39 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.218 39 G C 1.307 176.165 174.900 -0.072 0.000 1.146 39 G CA 1.297 46.348 45.100 -0.081 0.000 0.769 39 G HN 0.314 nan 8.290 nan 0.000 0.547 40 V N 1.086 120.963 119.914 -0.062 0.000 2.270 40 V HA -0.144 3.975 4.120 -0.001 0.000 0.245 40 V C 2.496 178.561 176.094 -0.049 0.000 1.043 40 V CA 2.174 64.443 62.300 -0.052 0.000 1.014 40 V CB -0.449 31.348 31.823 -0.043 0.000 0.645 40 V HN 0.364 nan 8.190 nan 0.000 0.447 41 D N 0.289 120.662 120.400 -0.045 0.000 2.123 41 D HA -0.161 4.478 4.640 -0.001 0.000 0.196 41 D C 2.118 178.385 176.300 -0.055 0.000 0.992 41 D CA 1.654 55.631 54.000 -0.038 0.000 0.833 41 D CB -0.159 40.624 40.800 -0.029 0.000 0.954 41 D HN 0.364 nan 8.370 nan 0.000 0.455 42 A N 0.170 122.947 122.820 -0.071 0.000 1.858 42 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 42 A C 2.500 180.004 177.584 -0.134 0.000 1.190 42 A CA 1.314 53.287 52.037 -0.106 0.000 0.617 42 A CB -0.965 17.977 19.000 -0.097 0.000 0.827 42 A HN 0.363 nan 8.150 nan 0.000 0.443 43 L N -0.247 120.916 121.223 -0.101 0.000 2.083 43 L HA -0.213 4.126 4.340 -0.001 0.000 0.209 43 L C 2.294 179.118 176.870 -0.077 0.000 1.083 43 L CA 1.133 55.917 54.840 -0.092 0.000 0.752 43 L CB -0.650 41.367 42.059 -0.069 0.000 0.899 43 L HN 0.380 nan 8.230 nan 0.000 0.433 44 N N 0.248 118.912 118.700 -0.060 0.000 2.120 44 N HA -0.164 4.576 4.740 -0.001 0.000 0.188 44 N C 1.756 177.248 175.510 -0.031 0.000 1.024 44 N CA 1.215 54.245 53.050 -0.035 0.000 0.852 44 N CB -0.097 38.376 38.487 -0.022 0.000 1.003 44 N HN 0.352 nan 8.380 nan 0.000 0.424 45 K N 0.649 121.009 120.400 -0.067 0.000 2.025 45 K HA 0.034 4.353 4.320 -0.001 0.000 0.207 45 K C 2.118 178.647 176.600 -0.118 0.000 1.049 45 K CA 0.613 56.862 56.287 -0.063 0.000 0.933 45 K CB -0.271 32.163 32.500 -0.112 0.000 0.714 45 K HN 0.137 nan 8.250 nan 0.000 0.438 46 L N 1.092 122.144 121.223 -0.285 0.000 2.127 46 L HA -0.222 4.117 4.340 -0.001 0.000 0.211 46 L C 2.303 179.170 176.870 -0.004 0.000 1.089 46 L CA 0.997 55.686 54.840 -0.251 0.000 0.757 46 L CB -0.342 41.578 42.059 -0.232 0.000 0.899 46 L HN 0.140 nan 8.230 nan 0.000 0.434 47 Q N -0.210 119.588 119.800 -0.004 0.000 2.291 47 Q HA -0.064 4.275 4.340 -0.001 0.000 0.205 47 Q C 2.218 178.256 176.000 0.065 0.000 0.970 47 Q CA 1.268 57.086 55.803 0.025 0.000 0.876 47 Q CB -0.344 28.397 28.738 0.006 0.000 0.935 47 Q HN 0.477 nan 8.270 nan 0.000 0.455 48 A N -0.434 122.451 122.820 0.109 0.000 2.172 48 A HA 0.351 4.670 4.320 -0.001 0.000 0.216 48 A C 1.086 178.744 177.584 0.123 0.000 1.154 48 A CA 0.924 53.032 52.037 0.119 0.000 0.701 48 A CB -0.787 18.302 19.000 0.150 0.000 0.789 48 A HN 0.394 nan 8.150 nan 0.000 0.465 49 G N -2.935 105.967 108.800 0.170 0.000 2.829 49 G HA2 0.324 4.283 3.960 -0.001 0.000 0.628 49 G HA3 0.324 4.283 3.960 -0.001 0.000 0.628 49 G C 1.122 176.090 174.900 0.113 0.000 1.412 49 G CA 0.377 45.562 45.100 0.140 0.000 0.864 49 G HN 2.090 nan 8.290 nan 0.000 0.544 50 G N -2.102 106.725 108.800 0.046 0.000 2.225 50 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.254 50 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.254 50 G C 0.629 175.451 174.900 -0.129 0.000 0.988 50 G CA 1.093 46.154 45.100 -0.066 0.000 0.625 50 G HN 1.709 nan 8.290 nan 0.000 0.527 51 Y N 0.423 120.725 120.300 0.003 0.000 2.397 51 Y HA 0.422 4.972 4.550 -0.001 0.000 0.335 51 Y C 1.696 177.577 175.900 -0.030 0.000 1.213 51 Y CA 1.254 59.352 58.100 -0.004 0.000 1.391 51 Y CB 1.439 39.900 38.460 0.001 0.000 1.293 51 Y HN 0.142 nan 8.280 nan 0.000 0.557 52 G N 1.463 110.312 108.800 0.082 0.000 3.146 52 G HA2 0.190 4.149 3.960 -0.001 0.000 0.238 52 G HA3 0.190 4.149 3.960 -0.001 0.000 0.238 52 G C -0.865 174.028 174.900 -0.012 0.000 1.022 52 G CA 0.135 45.237 45.100 0.004 0.000 0.880 52 G HN 0.464 nan 8.290 nan 0.000 0.533 53 F N 0.248 120.062 119.950 -0.226 0.000 2.672 53 F HA 0.517 5.043 4.527 -0.001 0.000 0.311 53 F C -1.533 174.200 175.800 -0.111 0.000 1.113 53 F CA -0.817 57.003 58.000 -0.300 0.000 0.996 53 F CB 2.025 40.526 39.000 -0.831 0.000 1.286 53 F HN -0.116 nan 8.300 nan 0.000 0.441 54 V N 6.069 126.022 119.914 0.065 0.000 2.540 54 V HA 0.525 4.644 4.120 -0.001 0.000 0.302 54 V C -0.455 175.793 176.094 0.257 0.000 1.035 54 V CA -0.643 61.744 62.300 0.144 0.000 0.873 54 V CB 1.980 33.792 31.823 -0.018 0.000 0.992 54 V HN 0.524 nan 8.190 nan 0.000 0.428 55 I N 3.674 124.420 120.570 0.294 0.000 2.382 55 I HA 0.506 4.675 4.170 -0.001 0.000 0.285 55 I C -0.135 176.085 176.117 0.172 0.000 1.007 55 I CA -0.003 61.454 61.300 0.261 0.000 1.142 55 I CB 1.789 39.958 38.000 0.282 0.000 1.289 55 I HN 0.623 nan 8.210 nan 0.000 0.453 56 S N 4.383 120.166 115.700 0.138 0.000 2.526 56 S HA 0.380 4.850 4.470 -0.001 0.000 0.293 56 S C -0.820 173.862 174.600 0.138 0.000 1.092 56 S CA -0.642 57.621 58.200 0.105 0.000 0.980 56 S CB 1.819 65.046 63.200 0.046 0.000 1.048 56 S HN 0.605 nan 8.310 nan 0.000 0.483 57 D N 1.986 122.461 120.400 0.126 0.000 2.358 57 D HA 0.161 4.800 4.640 -0.001 0.000 0.244 57 D C 0.816 177.222 176.300 0.177 0.000 1.163 57 D CA -0.350 53.749 54.000 0.165 0.000 0.945 57 D CB 0.400 41.273 40.800 0.121 0.000 1.152 57 D HN 0.674 nan 8.370 nan 0.000 0.451 58 W N 1.783 123.101 121.300 0.030 0.000 2.481 58 W HA 0.004 4.664 4.660 -0.001 0.000 0.293 58 W C -0.129 176.383 176.519 -0.012 0.000 1.201 58 W CA 0.387 57.737 57.345 0.009 0.000 1.328 58 W CB 0.054 29.522 29.460 0.013 0.000 1.112 58 W HN 0.326 nan 8.180 nan 0.000 0.546 65 G N -0.298 108.309 108.800 -0.322 0.000 2.446 65 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 65 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 65 G C 1.350 176.059 174.900 -0.318 0.000 1.168 65 G CA 1.290 46.234 45.100 -0.261 0.000 0.771 65 G HN 0.443 nan 8.290 nan 0.000 0.551 66 L N 0.441 121.326 121.223 -0.564 0.000 2.046 66 L HA -0.006 4.333 4.340 -0.001 0.000 0.208 66 L C 2.635 179.347 176.870 -0.264 0.000 1.077 66 L CA 2.465 57.026 54.840 -0.464 0.000 0.747 66 L CB -0.349 41.302 42.059 -0.679 0.000 0.896 66 L HN 0.277 nan 8.230 nan 0.000 0.432 67 E N -0.673 119.376 120.200 -0.251 0.000 2.106 67 E HA -0.213 4.136 4.350 -0.001 0.000 0.192 67 E C 1.999 178.519 176.600 -0.132 0.000 0.984 67 E CA 1.294 57.596 56.400 -0.165 0.000 0.806 67 E CB -0.437 29.174 29.700 -0.148 0.000 0.750 67 E HN 0.433 nan 8.360 nan 0.000 0.458 68 L N 0.193 121.331 121.223 -0.141 0.000 1.994 68 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 68 L C 2.220 179.032 176.870 -0.098 0.000 1.071 68 L CA 1.829 56.602 54.840 -0.111 0.000 0.745 68 L CB -1.051 40.944 42.059 -0.108 0.000 0.892 68 L HN 0.369 nan 8.230 nan 0.000 0.431 69 L N -0.155 121.006 121.223 -0.102 0.000 2.012 69 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 69 L C 2.451 179.278 176.870 -0.072 0.000 1.073 69 L CA 1.967 56.759 54.840 -0.080 0.000 0.748 69 L CB -0.814 41.204 42.059 -0.068 0.000 0.891 69 L HN 0.299 nan 8.230 nan 0.000 0.431 70 K N -1.226 119.127 120.400 -0.079 0.000 2.057 70 K HA -0.124 4.195 4.320 -0.001 0.000 0.207 70 K C 1.902 178.467 176.600 -0.058 0.000 1.049 70 K CA 1.881 58.129 56.287 -0.064 0.000 0.931 70 K CB -0.415 32.044 32.500 -0.068 0.000 0.714 70 K HN 0.432 nan 8.250 nan 0.000 0.440 71 T N 1.835 116.350 114.554 -0.065 0.000 2.746 71 T HA -0.091 4.258 4.350 -0.001 0.000 0.267 71 T C 1.939 176.606 174.700 -0.054 0.000 1.039 71 T CA 1.040 63.105 62.100 -0.057 0.000 1.142 71 T CB -0.175 68.656 68.868 -0.062 0.000 0.866 71 T HN 0.128 nan 8.240 nan 0.000 0.444 72 I N 0.689 121.223 120.570 -0.061 0.000 2.163 72 I HA -0.193 3.976 4.170 -0.001 0.000 0.243 72 I C 2.796 178.882 176.117 -0.051 0.000 1.085 72 I CA 1.188 62.452 61.300 -0.060 0.000 1.347 72 I CB -0.262 37.694 38.000 -0.072 0.000 1.044 72 I HN 0.066 nan 8.210 nan 0.000 0.408 73 R N 0.708 121.178 120.500 -0.050 0.000 2.152 73 R HA -0.068 4.271 4.340 -0.001 0.000 0.232 73 R C 1.930 178.210 176.300 -0.033 0.000 1.117 73 R CA 1.365 57.440 56.100 -0.041 0.000 0.981 73 R CB -0.554 29.724 30.300 -0.037 0.000 0.870 73 R HN 0.378 nan 8.270 nan 0.000 0.451 74 A N 0.626 123.425 122.820 -0.034 0.000 2.275 74 A HA -0.010 4.309 4.320 -0.001 0.000 0.212 74 A C 0.334 177.902 177.584 -0.026 0.000 1.201 74 A CA -0.234 51.786 52.037 -0.029 0.000 0.843 74 A CB 0.120 19.103 19.000 -0.029 0.000 0.873 74 A HN 0.014 nan 8.150 nan 0.000 0.492 75 D N 0.138 120.520 120.400 -0.029 0.000 2.347 75 D HA 0.337 4.976 4.640 -0.001 0.000 0.235 75 D C 1.434 177.722 176.300 -0.021 0.000 1.149 75 D CA 0.510 54.495 54.000 -0.025 0.000 0.850 75 D CB 1.354 42.137 40.800 -0.029 0.000 1.061 75 D HN 0.077 nan 8.370 nan 0.000 0.487 76 G N 3.675 112.465 108.800 -0.016 0.000 2.513 76 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.219 76 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.219 76 G C 0.844 175.738 174.900 -0.011 0.000 1.160 76 G CA 1.133 46.225 45.100 -0.013 0.000 0.767 76 G HN 0.684 nan 8.290 nan 0.000 0.571 80 A N 1.070 123.866 122.820 -0.040 0.000 2.308 80 A HA 0.651 4.970 4.320 -0.001 0.000 0.217 80 A C 0.557 178.096 177.584 -0.075 0.000 1.216 80 A CA -0.140 51.869 52.037 -0.047 0.000 0.864 80 A CB -0.280 18.701 19.000 -0.031 0.000 0.902 80 A HN 0.521 nan 8.150 nan 0.000 0.499 81 L N 2.102 123.274 121.223 -0.085 0.000 2.601 81 L HA 0.167 4.506 4.340 -0.001 0.000 0.277 81 L C -2.274 174.461 176.870 -0.226 0.000 1.219 81 L CA -1.332 53.431 54.840 -0.129 0.000 0.915 81 L CB 0.050 42.049 42.059 -0.100 0.000 1.160 81 L HN 0.051 nan 8.230 nan 0.000 0.494 82 P HA 0.144 nan 4.420 nan 0.000 0.271 82 P C -1.249 175.634 177.300 -0.696 0.000 1.216 82 P CA -0.053 62.672 63.100 -0.626 0.000 0.771 82 P CB 0.828 31.879 31.700 -1.082 0.000 0.864 83 V N 4.414 124.064 119.914 -0.439 0.000 2.482 83 V HA 0.302 4.421 4.120 -0.001 0.000 0.295 83 V C 0.093 176.126 176.094 -0.102 0.000 1.026 83 V CA -0.589 61.571 62.300 -0.233 0.000 0.856 83 V CB 1.544 33.299 31.823 -0.113 0.000 1.001 83 V HN 0.410 nan 8.190 nan 0.000 0.424 87 T N 2.356 117.023 114.554 0.188 0.000 2.907 87 T HA 0.751 5.100 4.350 -0.001 0.000 0.292 87 T C 0.926 175.676 174.700 0.082 0.000 1.043 87 T CA 0.463 62.613 62.100 0.084 0.000 1.003 87 T CB 2.086 70.906 68.868 -0.079 0.000 1.084 87 T HN 1.113 nan 8.240 nan 0.000 0.483 88 A N 2.774 125.614 122.820 0.033 0.000 2.067 88 A HA 0.316 4.635 4.320 -0.001 0.000 0.217 88 A C 0.429 178.019 177.584 0.010 0.000 1.156 88 A CA 0.629 52.691 52.037 0.042 0.000 0.683 88 A CB -0.200 18.824 19.000 0.041 0.000 0.808 88 A HN 0.844 nan 8.150 nan 0.000 0.455 89 E N -1.666 118.506 120.200 -0.047 0.000 2.331 89 E HA 0.596 4.945 4.350 -0.001 0.000 0.275 89 E C -1.042 175.495 176.600 -0.105 0.000 0.895 89 E CA -0.546 55.818 56.400 -0.060 0.000 0.753 89 E CB 1.830 31.484 29.700 -0.078 0.000 1.216 89 E HN 0.109 nan 8.360 nan 0.000 0.434 90 A N 3.299 126.082 122.820 -0.062 0.000 3.173 90 A HA 0.192 4.511 4.320 -0.001 0.000 0.304 90 A C 0.045 177.552 177.584 -0.128 0.000 1.318 90 A CA -0.642 51.340 52.037 -0.092 0.000 1.069 90 A CB -0.382 18.652 19.000 0.058 0.000 1.147 90 A HN 0.488 nan 8.150 nan 0.000 0.547 91 K N 0.143 120.434 120.400 -0.183 0.000 2.098 91 K HA 0.312 4.631 4.320 -0.001 0.000 0.257 91 K C 0.668 177.156 176.600 -0.187 0.000 0.999 91 K CA -0.636 55.556 56.287 -0.159 0.000 0.924 91 K CB 1.350 33.762 32.500 -0.146 0.000 1.028 91 K HN 0.206 nan 8.250 nan 0.000 0.466 92 K N 0.905 121.225 120.400 -0.134 0.000 2.052 92 K HA -0.300 4.019 4.320 -0.001 0.000 0.215 92 K C 1.394 177.903 176.600 -0.151 0.000 1.053 92 K CA 2.446 58.657 56.287 -0.126 0.000 0.934 92 K CB -0.013 32.438 32.500 -0.081 0.000 0.717 92 K HN 0.645 nan 8.250 nan 0.000 0.450 93 E N 0.344 120.458 120.200 -0.144 0.000 2.001 93 E HA -0.141 4.208 4.350 -0.001 0.000 0.195 93 E C 1.835 178.328 176.600 -0.178 0.000 1.002 93 E CA 1.771 58.094 56.400 -0.128 0.000 0.819 93 E CB -0.314 29.332 29.700 -0.091 0.000 0.769 93 E HN 0.376 nan 8.360 nan 0.000 0.454 94 N N 0.045 118.546 118.700 -0.332 0.000 2.018 94 N HA -0.197 4.542 4.740 -0.001 0.000 0.196 94 N C 1.967 177.206 175.510 -0.453 0.000 1.043 94 N CA 1.346 54.025 53.050 -0.619 0.000 0.856 94 N CB -0.248 37.541 38.487 -1.163 0.000 1.042 94 N HN 0.055 nan 8.380 nan 0.000 0.423 95 I N 1.459 121.721 120.570 -0.513 0.000 2.163 95 I HA -0.280 3.889 4.170 -0.001 0.000 0.243 95 I C 2.222 178.063 176.117 -0.461 0.000 1.085 95 I CA 1.087 61.985 61.300 -0.671 0.000 1.347 95 I CB -0.316 37.030 38.000 -1.090 0.000 1.044 95 I HN 0.200 nan 8.210 nan 0.000 0.408 96 I N 0.828 121.204 120.570 -0.322 0.000 2.208 96 I HA -0.332 3.837 4.170 -0.001 0.000 0.245 96 I C 2.843 178.910 176.117 -0.084 0.000 1.097 96 I CA 1.506 62.697 61.300 -0.183 0.000 1.363 96 I CB -0.661 37.263 38.000 -0.127 0.000 1.051 96 I HN 0.239 nan 8.210 nan 0.000 0.413 97 A N 0.923 123.727 122.820 -0.028 0.000 1.877 97 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 97 A C 2.588 180.227 177.584 0.092 0.000 1.186 97 A CA 1.996 54.077 52.037 0.074 0.000 0.620 97 A CB -0.818 18.308 19.000 0.211 0.000 0.822 97 A HN 0.446 nan 8.150 nan 0.000 0.443 98 A N -0.160 122.741 122.820 0.136 0.000 1.877 98 A HA 0.137 4.456 4.320 -0.001 0.000 0.216 98 A C 2.535 180.155 177.584 0.061 0.000 1.186 98 A CA 2.261 54.383 52.037 0.142 0.000 0.620 98 A CB -1.111 18.015 19.000 0.210 0.000 0.822 98 A HN 1.106 nan 8.150 nan 0.000 0.443 99 A N -1.418 121.401 122.820 -0.001 0.000 1.883 99 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 99 A C 2.108 179.708 177.584 0.026 0.000 1.186 99 A CA 2.062 54.116 52.037 0.028 0.000 0.624 99 A CB -0.543 18.448 19.000 -0.016 0.000 0.822 99 A HN 0.437 nan 8.150 nan 0.000 0.444 100 Q N -0.574 119.231 119.800 0.008 0.000 2.226 100 Q HA 0.028 4.367 4.340 -0.001 0.000 0.204 100 Q C 1.943 177.947 176.000 0.008 0.000 0.975 100 Q CA 1.458 57.266 55.803 0.008 0.000 0.866 100 Q CB -0.613 28.126 28.738 0.002 0.000 0.915 100 Q HN 0.642 nan 8.270 nan 0.000 0.440 101 A N -1.581 121.246 122.820 0.012 0.000 2.251 101 A HA 0.435 4.754 4.320 -0.001 0.000 0.209 101 A C 1.257 178.840 177.584 -0.001 0.000 1.187 101 A CA 0.792 52.828 52.037 -0.001 0.000 0.823 101 A CB -0.174 18.818 19.000 -0.013 0.000 0.846 101 A HN 0.385 nan 8.150 nan 0.000 0.486 102 G N -1.808 107.001 108.800 0.014 0.000 2.134 102 G HA2 0.154 4.113 3.960 -0.001 0.000 0.209 102 G HA3 0.154 4.113 3.960 -0.001 0.000 0.209 102 G C 0.365 175.276 174.900 0.018 0.000 0.993 102 G CA 0.101 45.207 45.100 0.011 0.000 0.669 102 G HN 1.529 nan 8.290 nan 0.000 0.519 103 A N 0.234 123.085 122.820 0.052 0.000 2.498 103 A HA 0.661 4.980 4.320 -0.001 0.000 0.239 103 A C 1.607 179.239 177.584 0.080 0.000 1.068 103 A CA 1.244 53.328 52.037 0.077 0.000 0.766 103 A CB 0.372 19.464 19.000 0.153 0.000 1.003 103 A HN 0.996 nan 8.150 nan 0.000 0.497 104 S N 0.948 116.660 115.700 0.021 0.000 2.406 104 S HA 0.309 4.778 4.470 -0.001 0.000 0.228 104 S C 1.004 175.617 174.600 0.022 0.000 1.020 104 S CA 0.996 59.187 58.200 -0.015 0.000 0.965 104 S CB -0.088 63.037 63.200 -0.125 0.000 0.798 104 S HN 1.505 nan 8.310 nan 0.000 0.488 105 G N -0.130 108.718 108.800 0.080 0.000 2.441 105 G HA2 0.498 4.457 3.960 -0.001 0.000 0.294 105 G HA3 0.498 4.457 3.960 -0.001 0.000 0.294 105 G C -2.222 172.806 174.900 0.213 0.000 1.393 105 G CA -0.713 44.404 45.100 0.027 0.000 0.796 105 G HN 0.381 nan 8.290 nan 0.000 0.494 106 W N -1.256 120.031 121.300 -0.022 0.000 3.083 106 W HA 0.826 5.485 4.660 -0.001 0.000 0.333 106 W C -1.649 174.833 176.519 -0.063 0.000 1.217 106 W CA -1.563 55.770 57.345 -0.021 0.000 1.170 106 W CB 1.795 31.254 29.460 -0.002 0.000 1.437 106 W HN 0.807 nan 8.180 nan 0.000 0.557 107 V N 2.568 122.542 119.914 0.100 0.000 2.888 107 V HA 0.667 4.787 4.120 -0.001 0.000 0.309 107 V C -1.470 174.692 176.094 0.113 0.000 1.114 107 V CA -1.042 61.226 62.300 -0.054 0.000 0.940 107 V CB 2.336 33.928 31.823 -0.385 0.000 1.021 107 V HN 0.618 nan 8.190 nan 0.000 0.426 108 V N 7.085 127.088 119.914 0.147 0.000 2.432 108 V HA 0.425 4.545 4.120 -0.001 0.000 0.275 108 V C 0.229 176.512 176.094 0.314 0.000 1.043 108 V CA -0.555 61.867 62.300 0.203 0.000 0.925 108 V CB 1.419 33.333 31.823 0.150 0.000 0.985 108 V HN 0.953 nan 8.190 nan 0.000 0.466 109 K N 6.264 126.852 120.400 0.314 0.000 2.118 109 K HA 0.667 4.987 4.320 -0.001 0.000 0.267 109 K C -2.637 174.031 176.600 0.114 0.000 0.991 109 K CA -1.575 54.872 56.287 0.266 0.000 0.916 109 K CB 0.958 33.583 32.500 0.207 0.000 1.041 109 K HN 0.391 nan 8.250 nan 0.000 0.455 110 P HA 0.183 nan 4.420 nan 0.000 0.278 110 P C -1.182 176.133 177.300 0.025 0.000 1.238 110 P CA -0.392 62.668 63.100 -0.067 0.000 0.794 110 P CB 0.207 31.852 31.700 -0.091 0.000 0.955 111 F N -1.640 118.323 119.950 0.021 0.000 2.551 111 F HA 0.656 5.182 4.527 -0.002 0.000 0.316 111 F C 0.315 176.118 175.800 0.005 0.000 1.089 111 F CA -1.104 56.904 58.000 0.012 0.000 0.915 111 F CB 0.667 39.675 39.000 0.012 0.000 1.186 111 F HN 0.302 nan 8.300 nan 0.000 0.456 112 T N -0.802 113.873 114.554 0.202 0.000 2.816 112 T HA 0.532 4.881 4.350 -0.001 0.000 0.282 112 T C 1.169 175.978 174.700 0.182 0.000 0.993 112 T CA -0.186 61.984 62.100 0.117 0.000 0.994 112 T CB 1.407 70.320 68.868 0.075 0.000 1.025 112 T HN 1.029 nan 8.240 nan 0.000 0.529 113 A N 0.952 123.835 122.820 0.106 0.000 1.940 113 A HA 0.140 4.459 4.320 -0.001 0.000 0.219 113 A C 2.618 180.252 177.584 0.085 0.000 1.176 113 A CA 1.868 53.967 52.037 0.102 0.000 0.631 113 A CB -1.551 17.483 19.000 0.056 0.000 0.814 113 A HN 1.217 nan 8.150 nan 0.000 0.446 114 A N -1.055 121.804 122.820 0.065 0.000 1.877 114 A HA -0.088 4.231 4.320 -0.001 0.000 0.216 114 A C 2.324 179.928 177.584 0.033 0.000 1.186 114 A CA 2.305 54.368 52.037 0.043 0.000 0.620 114 A CB -1.315 17.705 19.000 0.033 0.000 0.822 114 A HN 0.419 nan 8.150 nan 0.000 0.443 115 T N 0.182 114.768 114.554 0.054 0.000 2.684 115 T HA -0.165 4.184 4.350 -0.001 0.000 0.267 115 T C 1.856 176.527 174.700 -0.048 0.000 1.036 115 T CA 1.604 63.716 62.100 0.019 0.000 1.148 115 T CB -0.455 68.457 68.868 0.072 0.000 0.863 115 T HN 0.331 nan 8.240 nan 0.000 0.436 116 L N 1.438 122.655 121.223 -0.011 0.000 2.013 116 L HA -0.116 4.223 4.340 -0.001 0.000 0.212 116 L C 2.425 179.228 176.870 -0.113 0.000 1.073 116 L CA 2.108 56.872 54.840 -0.127 0.000 0.753 116 L CB -0.716 41.359 42.059 0.027 0.000 0.890 116 L HN 0.325 nan 8.230 nan 0.000 0.432 117 E N -0.899 119.285 120.200 -0.027 0.000 2.058 117 E HA -0.250 4.099 4.350 -0.001 0.000 0.194 117 E C 2.039 178.616 176.600 -0.039 0.000 0.997 117 E CA 1.428 57.828 56.400 -0.001 0.000 0.801 117 E CB -0.107 29.623 29.700 0.050 0.000 0.746 117 E HN 0.546 nan 8.360 nan 0.000 0.450 118 E N 0.385 120.555 120.200 -0.050 0.000 2.058 118 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 118 E C 2.070 178.600 176.600 -0.118 0.000 0.997 118 E CA 0.946 57.307 56.400 -0.064 0.000 0.801 118 E CB -0.025 29.638 29.700 -0.061 0.000 0.746 118 E HN 0.179 nan 8.360 nan 0.000 0.450 119 K N 0.704 121.004 120.400 -0.166 0.000 2.026 119 K HA -0.096 4.223 4.320 -0.001 0.000 0.208 119 K C 2.441 178.898 176.600 -0.240 0.000 1.048 119 K CA 0.738 56.896 56.287 -0.215 0.000 0.929 119 K CB -0.719 31.628 32.500 -0.255 0.000 0.713 119 K HN 0.189 nan 8.250 nan 0.000 0.439 120 L N 1.324 122.355 121.223 -0.320 0.000 1.994 120 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 120 L C 2.110 178.554 176.870 -0.710 0.000 1.071 120 L CA 1.162 55.617 54.840 -0.641 0.000 0.745 120 L CB -0.682 40.939 42.059 -0.731 0.000 0.892 120 L HN 0.159 nan 8.230 nan 0.000 0.431 121 N N 0.242 118.796 118.700 -0.243 0.000 2.061 121 N HA -0.179 4.560 4.740 -0.001 0.000 0.193 121 N C 1.762 177.287 175.510 0.024 0.000 1.030 121 N CA 1.192 54.268 53.050 0.043 0.000 0.856 121 N CB -0.276 38.275 38.487 0.106 0.000 1.023 121 N HN 0.246 nan 8.380 nan 0.000 0.424 122 K N 0.905 121.271 120.400 -0.057 0.000 2.063 122 K HA -0.052 4.267 4.320 -0.001 0.000 0.208 122 K C 2.212 178.797 176.600 -0.025 0.000 1.048 122 K CA 0.744 57.006 56.287 -0.042 0.000 0.928 122 K CB -0.551 31.894 32.500 -0.091 0.000 0.713 122 K HN 0.305 nan 8.250 nan 0.000 0.442 123 I N -0.036 120.486 120.570 -0.080 0.000 2.315 123 I HA -0.212 3.957 4.170 -0.001 0.000 0.248 123 I C 2.240 178.431 176.117 0.123 0.000 1.117 123 I CA 1.056 62.345 61.300 -0.020 0.000 1.404 123 I CB -0.286 37.705 38.000 -0.015 0.000 1.071 123 I HN 0.016 nan 8.210 nan 0.000 0.419 124 F N 1.179 121.196 119.950 0.112 0.000 2.095 124 F HA -0.242 4.284 4.527 -0.002 0.000 0.298 124 F C 2.578 178.414 175.800 0.060 0.000 1.104 124 F CA 1.093 59.152 58.000 0.099 0.000 1.232 124 F CB -0.328 38.733 39.000 0.102 0.000 0.987 124 F HN 0.059 nan 8.300 nan 0.000 0.475 125 E N 0.367 120.711 120.200 0.240 0.000 2.058 125 E HA -0.272 4.077 4.350 -0.001 0.000 0.194 125 E C 1.919 178.578 176.600 0.097 0.000 0.997 125 E CA 1.425 57.906 56.400 0.135 0.000 0.801 125 E CB -0.190 29.564 29.700 0.089 0.000 0.746 125 E HN 0.091 nan 8.360 nan 0.000 0.450 126 K N 0.919 121.368 120.400 0.081 0.000 2.103 126 K HA -0.108 4.211 4.320 -0.001 0.000 0.207 126 K C 1.483 178.118 176.600 0.058 0.000 1.048 126 K CA 1.152 57.471 56.287 0.053 0.000 0.930 126 K CB 0.029 32.547 32.500 0.030 0.000 0.716 126 K HN 0.102 nan 8.250 nan 0.000 0.444 127 L N -0.470 120.807 121.223 0.090 0.000 2.667 127 L HA 0.324 4.663 4.340 -0.001 0.000 0.232 127 L C 0.861 177.776 176.870 0.075 0.000 1.138 127 L CA -0.236 54.650 54.840 0.078 0.000 0.921 127 L CB -0.547 41.563 42.059 0.086 0.000 1.180 127 L HN 0.354 nan 8.230 nan 0.000 0.487 128 G N 0.000 108.847 108.800 0.079 0.000 5.446 128 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 128 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 128 G CA 0.000 45.133 45.100 0.054 0.000 0.502 128 G HN 0.000 nan 8.290 nan 0.000 0.925