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 2ogf_1_B DATA FIRST_RESID 0 DATA SEQUENCE SLRVEETEVF KKYFKNLTDR ERAVFEGGIT LGALFHQFVG TPVSKYNKES DATA SEQUENCE LERAIEEAXK NQPCVYDIKV KIRNVGEKYV SLDGKXLDVD LKIKINKTVA DATA SEQUENCE HLKLEYIPEI DYPLXYVKKF EE 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.589 174.600 -0.018 0.000 1.055 0 S CA 0.000 58.191 58.200 -0.016 0.000 1.107 0 S CB 0.000 63.187 63.200 -0.022 0.000 0.593 1 L N 0.271 121.482 121.223 -0.020 0.000 2.612 1 L HA 0.280 4.629 4.340 0.015 0.000 0.230 1 L C 0.911 177.760 176.870 -0.035 0.000 1.140 1 L CA -0.088 54.740 54.840 -0.019 0.000 0.896 1 L CB -0.453 41.598 42.059 -0.012 0.000 1.065 1 L HN 0.430 nan 8.230 nan 0.000 0.447 2 R N 0.160 120.628 120.500 -0.053 0.000 2.484 2 R HA -0.025 4.324 4.340 0.015 0.000 0.293 2 R C 1.358 177.578 176.300 -0.133 0.000 1.023 2 R CA -0.198 55.848 56.100 -0.091 0.000 1.037 2 R CB 1.239 31.478 30.300 -0.101 0.000 0.951 2 R HN -0.068 nan 8.270 nan 0.000 0.418 3 V N 3.850 123.669 119.914 -0.158 0.000 2.392 3 V HA -0.251 3.878 4.120 0.015 0.000 0.249 3 V C 2.189 178.012 176.094 -0.452 0.000 1.059 3 V CA 2.412 64.606 62.300 -0.177 0.000 1.051 3 V CB -0.417 31.364 31.823 -0.069 0.000 0.658 3 V HN 0.884 nan 8.190 nan 0.000 0.455 4 E N -0.440 119.272 120.200 -0.812 0.000 2.409 4 E HA -0.258 4.101 4.350 0.015 0.000 0.198 4 E C 1.642 178.004 176.600 -0.396 0.000 1.024 4 E CA 1.488 57.144 56.400 -1.239 0.000 0.861 4 E CB -0.362 28.729 29.700 -1.016 0.000 0.788 4 E HN 0.789 nan 8.360 nan 0.000 0.521 5 E N 1.316 121.388 120.200 -0.214 0.000 2.435 5 E HA -0.018 4.341 4.350 0.015 0.000 0.195 5 E C 0.565 177.174 176.600 0.014 0.000 1.029 5 E CA 0.762 57.124 56.400 -0.063 0.000 0.865 5 E CB 0.165 29.835 29.700 -0.051 0.000 0.833 5 E HN 0.386 nan 8.360 nan 0.000 0.510 6 T N -0.878 113.700 114.554 0.039 0.000 2.913 6 T HA 0.092 4.451 4.350 0.015 0.000 0.297 6 T C 1.048 175.855 174.700 0.179 0.000 1.029 6 T CA -0.664 61.500 62.100 0.107 0.000 1.104 6 T CB 1.582 70.524 68.868 0.124 0.000 0.964 6 T HN -0.187 nan 8.240 nan 0.000 0.532 7 E N 1.461 121.746 120.200 0.142 0.000 2.077 7 E HA -0.087 4.272 4.350 0.015 0.000 0.193 7 E C 2.305 179.016 176.600 0.184 0.000 0.989 7 E CA 0.761 57.247 56.400 0.144 0.000 0.800 7 E CB -0.561 29.194 29.700 0.092 0.000 0.746 7 E HN 0.611 nan 8.360 nan 0.000 0.452 8 V N 1.199 121.231 119.914 0.196 0.000 2.287 8 V HA -0.261 3.868 4.120 0.015 0.000 0.248 8 V C 2.177 178.499 176.094 0.381 0.000 1.053 8 V CA 1.973 64.417 62.300 0.239 0.000 1.027 8 V CB -0.655 31.298 31.823 0.216 0.000 0.646 8 V HN 0.176 nan 8.190 nan 0.000 0.447 9 F N 0.955 121.054 119.950 0.248 0.000 2.102 9 F HA -0.204 4.332 4.527 0.015 0.000 0.298 9 F C 2.482 178.550 175.800 0.448 0.000 1.105 9 F CA 1.988 60.188 58.000 0.334 0.000 1.239 9 F CB -0.196 38.946 39.000 0.237 0.000 0.991 9 F HN -0.017 nan 8.300 nan 0.000 0.474 10 K N 0.531 121.296 120.400 0.610 0.000 2.152 10 K HA -0.233 4.096 4.320 0.015 0.000 0.206 10 K C 1.975 178.752 176.600 0.296 0.000 1.048 10 K CA 1.818 58.396 56.287 0.486 0.000 0.933 10 K CB -0.307 32.380 32.500 0.312 0.000 0.721 10 K HN 0.424 nan 8.250 nan 0.000 0.447 11 K N -0.202 120.290 120.400 0.153 0.000 2.362 11 K HA -0.139 4.190 4.320 0.015 0.000 0.200 11 K C 0.980 177.417 176.600 -0.270 0.000 1.046 11 K CA 1.257 57.506 56.287 -0.064 0.000 0.952 11 K CB -0.099 32.320 32.500 -0.134 0.000 0.753 11 K HN 0.144 nan 8.250 nan 0.000 0.466 12 Y N -0.247 119.905 120.300 -0.246 0.000 2.529 12 Y HA 0.120 4.679 4.550 0.016 0.000 0.290 12 Y C 0.273 175.578 175.900 -0.990 0.000 1.177 12 Y CA 0.171 57.893 58.100 -0.629 0.000 1.305 12 Y CB 0.291 38.240 38.460 -0.850 0.000 1.047 12 Y HN 0.000 nan 8.280 nan 0.000 0.522 13 F N -1.728 118.223 119.950 0.002 0.000 2.791 13 F HA 0.267 4.802 4.527 0.014 0.000 0.316 13 F C 1.333 177.131 175.800 -0.003 0.000 1.134 13 F CA -0.674 57.325 58.000 -0.002 0.000 1.222 13 F CB 0.121 39.151 39.000 0.049 0.000 1.034 13 F HN -0.222 nan 8.300 nan 0.000 0.516 14 K N 0.778 121.205 120.400 0.046 0.000 2.283 14 K HA -0.101 4.228 4.320 0.015 0.000 0.202 14 K C 1.308 177.913 176.600 0.007 0.000 1.048 14 K CA 1.186 57.488 56.287 0.025 0.000 0.948 14 K CB -0.148 32.337 32.500 -0.025 0.000 0.742 14 K HN 0.290 nan 8.250 nan 0.000 0.458 15 N N 0.770 119.459 118.700 -0.018 0.000 2.370 15 N HA -0.011 4.738 4.740 0.015 0.000 0.198 15 N C -0.109 175.398 175.510 -0.004 0.000 1.156 15 N CA 0.205 53.238 53.050 -0.028 0.000 0.839 15 N CB 0.048 38.496 38.487 -0.065 0.000 0.989 15 N HN 0.059 nan 8.380 nan 0.000 0.468 16 L N 0.518 121.765 121.223 0.040 0.000 2.362 16 L HA 0.408 4.757 4.340 0.015 0.000 0.271 16 L C 0.440 177.344 176.870 0.057 0.000 1.002 16 L CA -1.051 53.821 54.840 0.053 0.000 0.818 16 L CB 2.055 44.175 42.059 0.102 0.000 1.298 16 L HN 0.002 nan 8.230 nan 0.000 0.420 17 T N -3.175 111.401 114.554 0.037 0.000 2.748 17 T HA 0.053 4.412 4.350 0.015 0.000 0.304 17 T C 0.636 175.363 174.700 0.046 0.000 1.041 17 T CA -0.500 61.616 62.100 0.026 0.000 1.033 17 T CB 0.889 69.754 68.868 -0.005 0.000 0.995 17 T HN 0.515 nan 8.240 nan 0.000 0.536 18 D N 0.100 120.519 120.400 0.032 0.000 2.144 18 D HA -0.032 4.617 4.640 0.015 0.000 0.199 18 D C 2.328 178.667 176.300 0.065 0.000 0.984 18 D CA 1.107 55.136 54.000 0.047 0.000 0.834 18 D CB -0.177 40.641 40.800 0.030 0.000 0.955 18 D HN 0.550 nan 8.370 nan 0.000 0.465 19 R N 0.509 121.017 120.500 0.013 0.000 2.066 19 R HA -0.052 4.297 4.340 0.015 0.000 0.232 19 R C 2.232 178.619 176.300 0.145 0.000 1.131 19 R CA 1.001 57.108 56.100 0.012 0.000 0.955 19 R CB -0.078 30.025 30.300 -0.328 0.000 0.851 19 R HN 0.260 nan 8.270 nan 0.000 0.432 20 E N 0.058 120.313 120.200 0.092 0.000 2.058 20 E HA -0.212 4.147 4.350 0.015 0.000 0.194 20 E C 2.104 178.822 176.600 0.196 0.000 0.997 20 E CA 1.069 57.549 56.400 0.133 0.000 0.801 20 E CB -0.047 29.699 29.700 0.077 0.000 0.746 20 E HN 0.184 nan 8.360 nan 0.000 0.450 21 R N 0.275 120.879 120.500 0.173 0.000 2.091 21 R HA -0.156 4.193 4.340 0.015 0.000 0.238 21 R C 2.281 178.708 176.300 0.211 0.000 1.136 21 R CA 1.287 57.512 56.100 0.208 0.000 0.959 21 R CB -0.210 30.170 30.300 0.133 0.000 0.856 21 R HN 0.158 nan 8.270 nan 0.000 0.437 22 A N 0.306 123.235 122.820 0.180 0.000 1.902 22 A HA -0.149 4.180 4.320 0.015 0.000 0.217 22 A C 2.215 179.896 177.584 0.162 0.000 1.181 22 A CA 1.856 53.989 52.037 0.160 0.000 0.623 22 A CB -0.703 18.417 19.000 0.199 0.000 0.818 22 A HN 0.350 nan 8.150 nan 0.000 0.443 23 V N -3.531 116.523 119.914 0.235 0.000 2.591 23 V HA -0.089 4.040 4.120 0.015 0.000 0.249 23 V C 2.214 178.428 176.094 0.200 0.000 1.053 23 V CA 1.763 64.180 62.300 0.195 0.000 1.068 23 V CB -1.167 30.806 31.823 0.249 0.000 0.689 23 V HN 0.393 nan 8.190 nan 0.000 0.462 24 F N 2.353 122.360 119.950 0.096 0.000 2.069 24 F HA -0.087 4.448 4.527 0.014 0.000 0.298 24 F C 2.448 178.290 175.800 0.070 0.000 1.113 24 F CA 2.384 60.437 58.000 0.089 0.000 1.214 24 F CB -0.420 38.649 39.000 0.114 0.000 0.978 24 F HN 0.131 nan 8.300 nan 0.000 0.474 25 E N 0.420 120.562 120.200 -0.097 0.000 2.110 25 E HA -0.141 4.218 4.350 0.015 0.000 0.193 25 E C 2.523 179.040 176.600 -0.138 0.000 0.988 25 E CA 1.149 57.424 56.400 -0.208 0.000 0.804 25 E CB -1.213 28.448 29.700 -0.066 0.000 0.745 25 E HN 0.568 nan 8.360 nan 0.000 0.458 26 G N 0.846 109.613 108.800 -0.055 0.000 2.418 26 G HA2 -0.214 3.755 3.960 0.015 0.000 0.217 26 G HA3 -0.214 3.755 3.960 0.015 0.000 0.217 26 G C 1.705 176.579 174.900 -0.044 0.000 1.158 26 G CA 1.001 46.076 45.100 -0.041 0.000 0.771 26 G HN 0.411 nan 8.290 nan 0.000 0.545 27 G N 1.134 109.912 108.800 -0.037 0.000 2.446 27 G HA2 -0.191 3.778 3.960 0.015 0.000 0.217 27 G HA3 -0.191 3.778 3.960 0.015 0.000 0.217 27 G C 1.778 176.637 174.900 -0.069 0.000 1.168 27 G CA 0.861 45.947 45.100 -0.023 0.000 0.771 27 G HN 0.435 nan 8.290 nan 0.000 0.551 28 I N 0.751 121.210 120.570 -0.185 0.000 2.118 28 I HA -0.235 3.944 4.170 0.015 0.000 0.241 28 I C 3.011 179.087 176.117 -0.069 0.000 1.070 28 I CA 1.776 62.968 61.300 -0.179 0.000 1.327 28 I CB -0.604 37.209 38.000 -0.311 0.000 1.034 28 I HN 0.120 nan 8.210 nan 0.000 0.405 29 T N 1.214 115.734 114.554 -0.057 0.000 2.777 29 T HA -0.090 4.269 4.350 0.015 0.000 0.266 29 T C 1.929 176.655 174.700 0.043 0.000 1.040 29 T CA 1.179 63.278 62.100 -0.003 0.000 1.141 29 T CB -0.261 68.600 68.868 -0.012 0.000 0.868 29 T HN 0.229 nan 8.240 nan 0.000 0.444 30 L N 0.558 121.803 121.223 0.036 0.000 2.027 30 L HA 0.018 4.367 4.340 0.015 0.000 0.206 30 L C 3.051 180.003 176.870 0.136 0.000 1.074 30 L CA 1.396 56.283 54.840 0.078 0.000 0.745 30 L CB -1.077 41.011 42.059 0.049 0.000 0.898 30 L HN 0.337 nan 8.230 nan 0.000 0.433 31 G N -0.282 108.578 108.800 0.100 0.000 2.418 31 G HA2 -0.249 3.720 3.960 0.015 0.000 0.217 31 G HA3 -0.249 3.720 3.960 0.015 0.000 0.217 31 G C 1.792 176.837 174.900 0.243 0.000 1.158 31 G CA 0.869 46.062 45.100 0.155 0.000 0.771 31 G HN 0.458 nan 8.290 nan 0.000 0.545 32 A N 0.643 123.545 122.820 0.137 0.000 1.865 32 A HA -0.009 4.320 4.320 0.015 0.000 0.217 32 A C 2.412 180.102 177.584 0.175 0.000 1.191 32 A CA 1.638 53.748 52.037 0.123 0.000 0.623 32 A CB -0.585 18.453 19.000 0.063 0.000 0.826 32 A HN 0.456 nan 8.150 nan 0.000 0.444 33 L N -1.961 119.391 121.223 0.215 0.000 2.017 33 L HA -0.146 4.203 4.340 0.015 0.000 0.208 33 L C 2.409 179.476 176.870 0.328 0.000 1.073 33 L CA 2.191 57.218 54.840 0.312 0.000 0.745 33 L CB -0.342 41.855 42.059 0.230 0.000 0.894 33 L HN 0.474 nan 8.230 nan 0.000 0.432 34 F N -0.042 119.969 119.950 0.101 0.000 2.069 34 F HA -0.315 4.219 4.527 0.011 0.000 0.298 34 F C 2.555 178.280 175.800 -0.124 0.000 1.113 34 F CA 2.072 60.055 58.000 -0.029 0.000 1.214 34 F CB -0.262 38.681 39.000 -0.094 0.000 0.978 34 F HN 0.198 nan 8.300 nan 0.000 0.474 35 H N -1.181 118.099 119.070 0.350 0.000 2.470 35 H HA -0.085 4.479 4.556 0.012 0.000 0.289 35 H C 1.995 177.319 175.328 -0.006 0.000 1.033 35 H CA 1.231 57.399 56.048 0.200 0.000 1.331 35 H CB -0.177 29.686 29.762 0.168 0.000 1.414 35 H HN 0.344 nan 8.280 nan 0.000 0.545 36 Q N 0.458 120.240 119.800 -0.030 0.000 2.119 36 Q HA -0.087 4.262 4.340 0.015 0.000 0.201 36 Q C 1.216 176.893 176.000 -0.539 0.000 0.972 36 Q CA 1.494 57.072 55.803 -0.377 0.000 0.847 36 Q CB -0.058 28.276 28.738 -0.672 0.000 0.903 36 Q HN 0.267 nan 8.270 nan 0.000 0.433 37 F N -1.462 118.464 119.950 -0.039 0.000 2.694 37 F HA 0.281 4.817 4.527 0.016 0.000 0.292 37 F C 0.490 176.209 175.800 -0.135 0.000 1.121 37 F CA -0.440 57.513 58.000 -0.078 0.000 1.352 37 F CB 0.255 39.209 39.000 -0.078 0.000 1.107 37 F HN -0.266 nan 8.300 nan 0.000 0.597 38 V N 0.994 120.854 119.914 -0.089 0.000 2.694 38 V HA 0.263 4.392 4.120 0.015 0.000 0.306 38 V C 1.245 177.287 176.094 -0.086 0.000 1.054 38 V CA 1.543 63.722 62.300 -0.202 0.000 1.161 38 V CB 0.220 31.769 31.823 -0.456 0.000 0.916 38 V HN 0.683 nan 8.190 nan 0.000 0.490 39 G N 3.768 112.533 108.800 -0.058 0.000 2.254 39 G HA2 -0.223 3.746 3.960 0.015 0.000 0.225 39 G HA3 -0.223 3.746 3.960 0.015 0.000 0.225 39 G C 0.371 175.288 174.900 0.028 0.000 1.003 39 G CA 0.021 45.116 45.100 -0.010 0.000 0.622 39 G HN 0.757 nan 8.290 nan 0.000 0.507 40 T N 4.199 118.777 114.554 0.040 0.000 2.888 40 T HA 0.455 4.814 4.350 0.015 0.000 0.301 40 T C -2.165 172.575 174.700 0.066 0.000 1.001 40 T CA -0.160 61.978 62.100 0.063 0.000 1.147 40 T CB 1.371 70.308 68.868 0.117 0.000 0.931 40 T HN 0.133 nan 8.240 nan 0.000 0.541 41 P HA 0.213 nan 4.420 nan 0.000 0.264 41 P C -0.896 176.452 177.300 0.079 0.000 1.193 41 P CA -0.121 63.021 63.100 0.069 0.000 0.763 41 P CB 0.494 32.038 31.700 -0.260 0.000 0.810 42 V N 3.416 123.435 119.914 0.176 0.000 2.623 42 V HA 0.652 4.781 4.120 0.015 0.000 0.304 42 V C -0.528 175.656 176.094 0.150 0.000 1.054 42 V CA -0.120 62.248 62.300 0.113 0.000 0.882 42 V CB 1.990 33.841 31.823 0.047 0.000 1.002 42 V HN 0.753 nan 8.190 nan 0.000 0.424 43 S N 4.876 120.656 115.700 0.133 0.000 2.720 43 S HA 0.546 5.025 4.470 0.015 0.000 0.287 43 S C 0.583 175.243 174.600 0.100 0.000 1.168 43 S CA -0.698 57.579 58.200 0.128 0.000 0.832 43 S CB 1.873 65.173 63.200 0.168 0.000 1.166 43 S HN 0.650 nan 8.310 nan 0.000 0.493 44 K N -0.542 119.910 120.400 0.087 0.000 2.152 44 K HA -0.147 4.182 4.320 0.015 0.000 0.206 44 K C 1.703 178.353 176.600 0.083 0.000 1.048 44 K CA 1.741 58.066 56.287 0.063 0.000 0.933 44 K CB -0.549 31.982 32.500 0.051 0.000 0.721 44 K HN 0.601 nan 8.250 nan 0.000 0.447 45 Y N 2.924 123.222 120.300 -0.002 0.000 2.114 45 Y HA -0.289 4.270 4.550 0.015 0.000 0.282 45 Y C 1.674 177.562 175.900 -0.020 0.000 1.165 45 Y CA 2.143 60.236 58.100 -0.010 0.000 1.148 45 Y CB -0.061 38.394 38.460 -0.009 0.000 0.972 45 Y HN 0.213 nan 8.280 nan 0.000 0.504 46 N N -0.457 118.284 118.700 0.068 0.000 2.177 46 N HA -0.017 4.732 4.740 0.015 0.000 0.218 46 N C 1.370 176.856 175.510 -0.040 0.000 1.182 46 N CA 0.127 53.157 53.050 -0.033 0.000 0.882 46 N CB -0.210 38.322 38.487 0.074 0.000 1.052 46 N HN 0.371 nan 8.380 nan 0.000 0.519 47 K N 1.552 121.937 120.400 -0.026 0.000 2.034 47 K HA -0.176 4.153 4.320 0.015 0.000 0.214 47 K C 1.333 177.892 176.600 -0.068 0.000 1.051 47 K CA 1.750 58.014 56.287 -0.039 0.000 0.931 47 K CB 0.066 32.550 32.500 -0.026 0.000 0.715 47 K HN 0.233 nan 8.250 nan 0.000 0.446 48 E N 0.099 120.253 120.200 -0.077 0.000 2.072 48 E HA -0.152 4.207 4.350 0.015 0.000 0.191 48 E C 2.135 178.678 176.600 -0.095 0.000 0.985 48 E CA 1.535 57.885 56.400 -0.084 0.000 0.801 48 E CB -0.065 29.586 29.700 -0.081 0.000 0.750 48 E HN 0.491 nan 8.360 nan 0.000 0.452 49 S N 1.173 116.811 115.700 -0.103 0.000 2.382 49 S HA -0.153 4.326 4.470 0.015 0.000 0.228 49 S C 2.081 176.618 174.600 -0.105 0.000 1.027 49 S CA 0.696 58.837 58.200 -0.099 0.000 0.991 49 S CB -0.301 62.839 63.200 -0.100 0.000 0.823 49 S HN 0.123 nan 8.310 nan 0.000 0.469 50 L N 1.958 123.116 121.223 -0.108 0.000 2.027 50 L HA 0.051 4.400 4.340 0.015 0.000 0.206 50 L C 2.465 179.204 176.870 -0.219 0.000 1.074 50 L CA 1.866 56.615 54.840 -0.151 0.000 0.745 50 L CB -0.986 41.004 42.059 -0.116 0.000 0.898 50 L HN 0.330 nan 8.230 nan 0.000 0.433 51 E N -0.763 119.336 120.200 -0.168 0.000 2.058 51 E HA -0.293 4.066 4.350 0.015 0.000 0.194 51 E C 2.347 178.845 176.600 -0.169 0.000 0.997 51 E CA 1.516 57.814 56.400 -0.169 0.000 0.801 51 E CB -0.210 29.420 29.700 -0.116 0.000 0.746 51 E HN 0.397 nan 8.360 nan 0.000 0.450 52 R N 0.450 120.868 120.500 -0.136 0.000 2.075 52 R HA -0.110 4.239 4.340 0.015 0.000 0.232 52 R C 2.251 178.475 176.300 -0.126 0.000 1.126 52 R CA 1.264 57.295 56.100 -0.115 0.000 0.963 52 R CB -0.179 30.067 30.300 -0.091 0.000 0.858 52 R HN 0.147 nan 8.270 nan 0.000 0.435 53 A N 0.984 123.718 122.820 -0.143 0.000 1.902 53 A HA -0.128 4.200 4.320 0.015 0.000 0.217 53 A C 2.128 179.592 177.584 -0.201 0.000 1.181 53 A CA 1.353 53.312 52.037 -0.130 0.000 0.623 53 A CB -0.480 18.459 19.000 -0.101 0.000 0.818 53 A HN 0.358 nan 8.150 nan 0.000 0.443 54 I N -0.447 119.880 120.570 -0.406 0.000 2.142 54 I HA -0.286 3.893 4.170 0.015 0.000 0.240 54 I C 2.525 178.515 176.117 -0.211 0.000 1.078 54 I CA 1.762 62.728 61.300 -0.556 0.000 1.343 54 I CB -0.566 36.977 38.000 -0.762 0.000 1.046 54 I HN 0.428 nan 8.210 nan 0.000 0.405 55 E N 0.778 120.878 120.200 -0.167 0.000 2.049 55 E HA -0.272 4.087 4.350 0.015 0.000 0.198 55 E C 2.127 178.686 176.600 -0.067 0.000 1.007 55 E CA 1.626 57.966 56.400 -0.100 0.000 0.809 55 E CB -0.158 29.484 29.700 -0.097 0.000 0.749 55 E HN 0.516 nan 8.360 nan 0.000 0.450 56 E N 0.745 120.906 120.200 -0.065 0.000 2.106 56 E HA -0.061 4.298 4.350 0.015 0.000 0.192 56 E C 0.934 177.528 176.600 -0.010 0.000 0.984 56 E CA 0.355 56.730 56.400 -0.041 0.000 0.806 56 E CB -0.038 29.638 29.700 -0.040 0.000 0.750 56 E HN 0.170 nan 8.360 nan 0.000 0.458 60 N N 1.519 120.212 118.700 -0.012 0.000 2.223 60 N HA -0.094 4.655 4.740 0.015 0.000 0.185 60 N C 0.160 175.657 175.510 -0.021 0.000 1.016 60 N CA 0.865 53.906 53.050 -0.014 0.000 0.863 60 N CB 0.175 38.661 38.487 -0.000 0.000 0.983 60 N HN 0.185 nan 8.380 nan 0.000 0.429 61 Q N 0.820 120.612 119.800 -0.014 0.000 2.394 61 Q HA 0.177 4.526 4.340 0.015 0.000 0.248 61 Q C -2.368 173.607 176.000 -0.042 0.000 0.992 61 Q CA -1.841 53.951 55.803 -0.018 0.000 0.888 61 Q CB 0.385 29.119 28.738 -0.006 0.000 1.257 61 Q HN 0.016 nan 8.270 nan 0.000 0.462 62 P HA -0.162 nan 4.420 nan 0.000 0.259 62 P C -0.479 176.779 177.300 -0.071 0.000 1.163 62 P CA 0.560 63.597 63.100 -0.106 0.000 0.760 62 P CB 0.183 31.849 31.700 -0.057 0.000 0.762 63 C N 0.954 120.207 119.300 -0.077 0.000 4.400 63 C HA -0.131 4.338 4.460 0.015 0.000 0.275 63 C C 0.874 175.865 174.990 0.002 0.000 1.391 63 C CA -0.305 58.691 59.018 -0.036 0.000 1.816 63 C CB -2.882 24.838 27.740 -0.034 0.000 1.404 63 C HN 0.426 nan 8.230 nan 0.000 0.754 64 V N 0.990 120.902 119.914 -0.003 0.000 2.479 64 V HA 0.132 4.261 4.120 0.015 0.000 0.281 64 V C 1.011 177.140 176.094 0.059 0.000 1.031 64 V CA 0.877 63.185 62.300 0.014 0.000 1.038 64 V CB 0.771 32.586 31.823 -0.013 0.000 0.981 64 V HN 0.410 nan 8.190 nan 0.000 0.478 65 Y N 3.404 123.660 120.300 -0.073 0.000 2.301 65 Y HA 0.264 4.823 4.550 0.015 0.000 0.295 65 Y C 0.795 176.653 175.900 -0.070 0.000 1.126 65 Y CA 0.836 58.894 58.100 -0.071 0.000 1.154 65 Y CB 0.662 39.073 38.460 -0.082 0.000 1.075 65 Y HN 0.687 nan 8.280 nan 0.000 0.534 66 D N -0.525 119.816 120.400 -0.098 0.000 2.623 66 D HA 0.370 5.019 4.640 0.015 0.000 0.241 66 D C -1.869 174.378 176.300 -0.087 0.000 1.241 66 D CA -0.358 53.538 54.000 -0.173 0.000 0.788 66 D CB 1.889 42.547 40.800 -0.236 0.000 1.413 66 D HN 0.143 nan 8.370 nan 0.000 0.429 67 I N 1.018 121.535 120.570 -0.088 0.000 2.775 67 I HA 0.420 4.599 4.170 0.015 0.000 0.295 67 I C -1.903 174.174 176.117 -0.067 0.000 1.287 67 I CA -0.590 60.670 61.300 -0.066 0.000 1.029 67 I CB 1.709 39.676 38.000 -0.055 0.000 1.282 67 I HN 0.271 nan 8.210 nan 0.000 0.426 68 K N 6.440 126.807 120.400 -0.056 0.000 2.471 68 K HA 0.706 5.035 4.320 0.015 0.000 0.252 68 K C -2.082 174.485 176.600 -0.054 0.000 0.938 68 K CA -0.576 55.678 56.287 -0.055 0.000 0.796 68 K CB 2.166 34.641 32.500 -0.042 0.000 1.161 68 K HN 0.409 nan 8.250 nan 0.000 0.425 69 V N 4.781 124.654 119.914 -0.068 0.000 2.409 69 V HA 0.448 4.577 4.120 0.015 0.000 0.291 69 V C -0.678 175.374 176.094 -0.069 0.000 1.020 69 V CA -0.871 61.384 62.300 -0.075 0.000 0.848 69 V CB 1.596 33.351 31.823 -0.114 0.000 0.990 69 V HN 0.652 nan 8.190 nan 0.000 0.430 70 K N 4.936 125.305 120.400 -0.053 0.000 2.270 70 K HA 0.649 4.978 4.320 0.015 0.000 0.255 70 K C -0.967 175.605 176.600 -0.047 0.000 0.936 70 K CA -0.502 55.757 56.287 -0.046 0.000 0.809 70 K CB 2.804 35.287 32.500 -0.028 0.000 1.131 70 K HN 0.533 nan 8.250 nan 0.000 0.427 71 I N 3.675 124.213 120.570 -0.053 0.000 2.339 71 I HA 0.337 4.516 4.170 0.015 0.000 0.290 71 I C 0.530 176.624 176.117 -0.039 0.000 0.994 71 I CA -0.665 60.603 61.300 -0.054 0.000 1.191 71 I CB 1.141 39.102 38.000 -0.065 0.000 1.343 71 I HN 0.221 nan 8.210 nan 0.000 0.458 72 R N 4.906 125.385 120.500 -0.036 0.000 2.573 72 R HA 0.382 4.731 4.340 0.015 0.000 0.272 72 R C 0.125 176.403 176.300 -0.037 0.000 1.009 72 R CA -0.796 55.288 56.100 -0.026 0.000 1.059 72 R CB 0.554 30.848 30.300 -0.010 0.000 1.112 72 R HN 0.601 nan 8.270 nan 0.000 0.517 73 N N -0.817 117.866 118.700 -0.027 0.000 2.735 73 N HA -0.148 4.601 4.740 0.015 0.000 0.248 73 N C -0.853 174.639 175.510 -0.030 0.000 1.083 73 N CA 0.575 53.607 53.050 -0.031 0.000 0.703 73 N CB -1.406 37.052 38.487 -0.048 0.000 1.005 73 N HN 0.217 nan 8.380 nan 0.000 0.550 74 V N -0.092 119.810 119.914 -0.021 0.000 2.530 74 V HA 0.629 4.758 4.120 0.015 0.000 0.282 74 V C 1.474 177.567 176.094 -0.002 0.000 1.048 74 V CA 0.235 62.529 62.300 -0.010 0.000 0.997 74 V CB 1.516 33.337 31.823 -0.004 0.000 0.987 74 V HN 0.386 nan 8.190 nan 0.000 0.477 75 G N 2.380 111.182 108.800 0.003 0.000 2.735 75 G HA2 0.445 4.414 3.960 0.015 0.000 0.301 75 G HA3 0.445 4.414 3.960 0.015 0.000 0.301 75 G C 0.381 175.296 174.900 0.025 0.000 1.279 75 G CA -0.263 44.840 45.100 0.006 0.000 1.019 75 G HN 0.532 nan 8.290 nan 0.000 0.497 76 E N -0.459 119.754 120.200 0.022 0.000 2.153 76 E HA -0.063 4.296 4.350 0.015 0.000 0.194 76 E C 0.912 177.538 176.600 0.043 0.000 0.988 76 E CA 0.807 57.228 56.400 0.035 0.000 0.811 76 E CB 0.085 29.799 29.700 0.023 0.000 0.746 76 E HN 0.370 nan 8.360 nan 0.000 0.466 77 K N 0.654 121.067 120.400 0.022 0.000 2.172 77 K HA 0.075 4.404 4.320 0.015 0.000 0.276 77 K C -0.388 176.228 176.600 0.028 0.000 1.013 77 K CA -0.462 55.834 56.287 0.015 0.000 0.913 77 K CB 0.571 33.048 32.500 -0.038 0.000 1.055 77 K HN -0.160 nan 8.250 nan 0.000 0.461 78 Y N 2.730 123.018 120.300 -0.021 0.000 2.326 78 Y HA 0.413 4.971 4.550 0.014 0.000 0.333 78 Y C -0.504 175.383 175.900 -0.022 0.000 1.240 78 Y CA -0.792 57.297 58.100 -0.018 0.000 1.365 78 Y CB 0.720 39.169 38.460 -0.019 0.000 1.289 78 Y HN 0.214 nan 8.280 nan 0.000 0.548 79 V N -0.195 119.700 119.914 -0.031 0.000 3.102 79 V HA 0.603 4.732 4.120 0.015 0.000 0.312 79 V C -0.470 175.679 176.094 0.092 0.000 1.135 79 V CA -1.221 60.991 62.300 -0.147 0.000 1.022 79 V CB 1.432 33.189 31.823 -0.110 0.000 1.056 79 V HN 0.918 nan 8.190 nan 0.000 0.436 80 S N 2.706 118.430 115.700 0.040 0.000 2.510 80 S HA 0.392 4.870 4.470 0.015 0.000 0.279 80 S C -0.108 174.494 174.600 0.004 0.000 1.284 80 S CA -0.194 58.049 58.200 0.071 0.000 1.059 80 S CB 0.505 63.726 63.200 0.036 0.000 0.901 80 S HN 0.952 nan 8.310 nan 0.000 0.491 81 L N 4.382 125.607 121.223 0.003 0.000 2.640 81 L HA 0.055 4.404 4.340 0.015 0.000 0.280 81 L C 0.051 176.851 176.870 -0.118 0.000 1.229 81 L CA 0.598 55.405 54.840 -0.055 0.000 0.919 81 L CB -0.437 41.593 42.059 -0.049 0.000 1.168 81 L HN 0.770 nan 8.230 nan 0.000 0.496 82 D N 1.867 122.176 120.400 -0.152 0.000 2.419 82 D HA 0.537 5.186 4.640 0.015 0.000 0.234 82 D C 0.962 177.089 176.300 -0.289 0.000 1.014 82 D CA -0.266 53.609 54.000 -0.209 0.000 0.919 82 D CB 1.336 42.049 40.800 -0.145 0.000 1.366 82 D HN 0.468 nan 8.370 nan 0.000 0.490 83 G N 0.487 109.034 108.800 -0.421 0.000 2.450 83 G HA2 -0.202 3.767 3.960 0.015 0.000 0.220 83 G HA3 -0.202 3.767 3.960 0.015 0.000 0.220 83 G C 0.608 175.436 174.900 -0.121 0.000 1.130 83 G CA 0.535 45.324 45.100 -0.519 0.000 0.760 83 G HN 0.451 nan 8.290 nan 0.000 0.557 87 D N 2.496 122.902 120.400 0.009 0.000 2.476 87 D HA 0.619 5.268 4.640 0.015 0.000 0.251 87 D C -1.619 174.681 176.300 -0.000 0.000 1.291 87 D CA -0.125 53.889 54.000 0.024 0.000 0.939 87 D CB 2.040 42.855 40.800 0.025 0.000 1.221 87 D HN 0.146 nan 8.370 nan 0.000 0.567 88 V N 3.661 123.574 119.914 -0.002 0.000 2.656 88 V HA 0.486 4.615 4.120 0.015 0.000 0.307 88 V C -0.447 175.623 176.094 -0.040 0.000 1.051 88 V CA -0.866 61.421 62.300 -0.021 0.000 0.893 88 V CB 2.191 34.008 31.823 -0.010 0.000 0.999 88 V HN 0.464 nan 8.190 nan 0.000 0.426 89 D N 3.723 124.099 120.400 -0.040 0.000 2.391 89 D HA 0.571 5.220 4.640 0.015 0.000 0.245 89 D C -1.153 175.118 176.300 -0.049 0.000 1.069 89 D CA -0.299 53.674 54.000 -0.046 0.000 0.831 89 D CB 2.970 43.758 40.800 -0.020 0.000 1.204 89 D HN 0.333 nan 8.370 nan 0.000 0.503 90 L N 1.762 122.946 121.223 -0.065 0.000 2.386 90 L HA 0.430 4.779 4.340 0.015 0.000 0.271 90 L C -1.177 175.631 176.870 -0.104 0.000 0.993 90 L CA -0.468 54.331 54.840 -0.069 0.000 0.819 90 L CB 1.689 43.713 42.059 -0.059 0.000 1.294 90 L HN 0.117 nan 8.230 nan 0.000 0.414 91 K N 6.315 126.655 120.400 -0.100 0.000 2.323 91 K HA 0.592 4.921 4.320 0.015 0.000 0.259 91 K C -1.256 175.320 176.600 -0.040 0.000 0.947 91 K CA -0.756 55.441 56.287 -0.150 0.000 0.819 91 K CB 1.935 34.373 32.500 -0.103 0.000 1.109 91 K HN 0.423 nan 8.250 nan 0.000 0.429 92 I N 2.977 123.503 120.570 -0.072 0.000 2.378 92 I HA 0.270 4.449 4.170 0.015 0.000 0.291 92 I C -0.179 175.911 176.117 -0.045 0.000 0.992 92 I CA -0.644 60.642 61.300 -0.024 0.000 1.154 92 I CB 1.459 39.450 38.000 -0.015 0.000 1.315 92 I HN 0.544 nan 8.210 nan 0.000 0.448 93 K N 7.117 127.493 120.400 -0.040 0.000 2.339 93 K HA 0.546 4.875 4.320 0.015 0.000 0.264 93 K C -1.310 175.262 176.600 -0.046 0.000 0.986 93 K CA -0.505 55.716 56.287 -0.110 0.000 0.866 93 K CB 1.197 33.530 32.500 -0.278 0.000 1.103 93 K HN 0.402 nan 8.250 nan 0.000 0.441 94 I N 5.411 125.968 120.570 -0.022 0.000 2.390 94 I HA 0.163 4.342 4.170 0.015 0.000 0.283 94 I C 0.348 176.464 176.117 -0.002 0.000 1.016 94 I CA -0.382 60.920 61.300 0.003 0.000 1.151 94 I CB 0.477 38.499 38.000 0.037 0.000 1.293 94 I HN 0.900 nan 8.210 nan 0.000 0.458 95 N N 5.023 123.718 118.700 -0.007 0.000 1.518 95 N HA -0.296 4.453 4.740 0.015 0.000 0.146 95 N C 0.867 176.360 175.510 -0.028 0.000 0.621 95 N CA 1.659 54.704 53.050 -0.008 0.000 1.108 95 N CB -0.571 37.921 38.487 0.008 0.000 1.310 95 N HN 0.446 nan 8.380 nan 0.000 0.457 96 K N 1.206 121.595 120.400 -0.018 0.000 2.358 96 K HA 0.321 4.650 4.320 0.015 0.000 0.197 96 K C -0.336 176.252 176.600 -0.019 0.000 1.025 96 K CA 0.336 56.607 56.287 -0.026 0.000 1.104 96 K CB 0.300 32.793 32.500 -0.012 0.000 0.855 96 K HN 0.391 nan 8.250 nan 0.000 0.531 97 T N 0.733 115.285 114.554 -0.002 0.000 2.806 97 T HA 0.394 4.753 4.350 0.015 0.000 0.290 97 T C -0.464 174.254 174.700 0.031 0.000 0.966 97 T CA -0.513 61.613 62.100 0.044 0.000 1.060 97 T CB 1.574 70.485 68.868 0.071 0.000 0.927 97 T HN -0.288 nan 8.240 nan 0.000 0.485 98 V N 2.727 122.685 119.914 0.073 0.000 2.444 98 V HA 0.686 4.815 4.120 0.015 0.000 0.294 98 V C 0.160 176.338 176.094 0.139 0.000 1.022 98 V CA -1.087 61.220 62.300 0.013 0.000 0.850 98 V CB 1.378 33.146 31.823 -0.091 0.000 0.992 98 V HN 1.071 nan 8.190 nan 0.000 0.426 99 A N 4.308 127.154 122.820 0.043 0.000 2.290 99 A HA 0.656 4.985 4.320 0.015 0.000 0.310 99 A C -0.233 177.261 177.584 -0.148 0.000 1.202 99 A CA -0.457 51.521 52.037 -0.099 0.000 0.837 99 A CB 0.245 19.171 19.000 -0.123 0.000 1.139 99 A HN 0.921 nan 8.150 nan 0.000 0.509 100 H N 2.679 121.604 119.070 -0.242 0.000 2.541 100 H HA 0.481 5.046 4.556 0.015 0.000 0.316 100 H C -1.129 174.068 175.328 -0.219 0.000 1.043 100 H CA -0.297 55.652 56.048 -0.165 0.000 1.232 100 H CB 1.138 30.830 29.762 -0.117 0.000 1.406 100 H HN 0.464 nan 8.280 nan 0.000 0.469 101 L N 2.712 123.868 121.223 -0.111 0.000 2.319 101 L HA 0.466 4.815 4.340 0.015 0.000 0.267 101 L C -0.128 176.602 176.870 -0.233 0.000 1.011 101 L CA -0.826 53.902 54.840 -0.187 0.000 0.818 101 L CB 1.582 43.558 42.059 -0.138 0.000 1.316 101 L HN 0.388 nan 8.230 nan 0.000 0.432 102 K N 1.201 121.355 120.400 -0.409 0.000 2.427 102 K HA 0.751 5.080 4.320 0.015 0.000 0.252 102 K C -1.884 174.544 176.600 -0.287 0.000 0.931 102 K CA -0.468 55.563 56.287 -0.426 0.000 0.793 102 K CB 1.741 33.789 32.500 -0.753 0.000 1.211 102 K HN 0.432 nan 8.250 nan 0.000 0.426 103 L N 3.973 125.139 121.223 -0.095 0.000 2.325 103 L HA 0.627 4.976 4.340 0.015 0.000 0.281 103 L C -1.480 175.438 176.870 0.080 0.000 1.004 103 L CA 0.256 55.116 54.840 0.033 0.000 0.823 103 L CB 1.039 43.144 42.059 0.076 0.000 1.236 103 L HN 0.842 nan 8.230 nan 0.000 0.415 104 E N 3.568 123.866 120.200 0.163 0.000 2.390 104 E HA 0.217 4.576 4.350 0.015 0.000 0.280 104 E C -1.809 174.934 176.600 0.238 0.000 0.992 104 E CA -0.919 55.594 56.400 0.188 0.000 0.790 104 E CB 0.942 30.752 29.700 0.183 0.000 1.248 104 E HN 0.433 nan 8.360 nan 0.000 0.447 105 Y N 3.184 123.539 120.300 0.092 0.000 2.402 105 Y HA 0.277 4.835 4.550 0.014 0.000 0.333 105 Y C -0.545 175.412 175.900 0.096 0.000 1.076 105 Y CA -0.648 57.502 58.100 0.083 0.000 1.299 105 Y CB 0.618 39.110 38.460 0.053 0.000 1.197 105 Y HN 0.430 nan 8.280 nan 0.000 0.517 106 I N 10.433 130.758 120.570 -0.409 0.000 2.337 106 I HA 0.193 4.372 4.170 0.015 0.000 0.285 106 I C -1.876 173.840 176.117 -0.670 0.000 1.041 106 I CA -2.511 58.567 61.300 -0.369 0.000 1.199 106 I CB 0.975 38.902 38.000 -0.122 0.000 1.370 106 I HN 0.535 nan 8.210 nan 0.000 0.470 107 P HA -0.155 nan 4.420 nan 0.000 0.216 107 P C 1.136 178.318 177.300 -0.196 0.000 1.150 107 P CA 1.418 64.248 63.100 -0.450 0.000 0.837 107 P CB 0.442 32.060 31.700 -0.136 0.000 0.786 108 E N -0.302 119.813 120.200 -0.142 0.000 2.160 108 E HA -0.143 4.216 4.350 0.015 0.000 0.195 108 E C 1.671 178.237 176.600 -0.057 0.000 0.991 108 E CA 1.084 57.439 56.400 -0.074 0.000 0.810 108 E CB -0.801 28.860 29.700 -0.066 0.000 0.742 108 E HN 0.463 nan 8.360 nan 0.000 0.466 109 I N -2.810 117.717 120.570 -0.071 0.000 3.974 109 I HA 0.297 4.476 4.170 0.015 0.000 0.334 109 I C -0.181 175.970 176.117 0.057 0.000 1.437 109 I CA -0.313 60.976 61.300 -0.019 0.000 1.113 109 I CB 0.259 38.234 38.000 -0.042 0.000 1.063 109 I HN -0.199 nan 8.210 nan 0.000 0.400 110 D N 2.242 122.650 120.400 0.012 0.000 2.704 110 D HA -0.313 4.336 4.640 0.015 0.000 0.232 110 D C -1.021 175.487 176.300 0.346 0.000 1.183 110 D CA 1.185 55.289 54.000 0.174 0.000 0.647 110 D CB -1.050 39.877 40.800 0.213 0.000 1.013 110 D HN 0.681 nan 8.370 nan 0.000 0.415 111 Y N -0.468 119.867 120.300 0.059 0.000 2.433 111 Y HA 0.463 5.020 4.550 0.012 0.000 0.337 111 Y C -2.392 173.635 175.900 0.212 0.000 1.026 111 Y CA -2.202 55.983 58.100 0.143 0.000 1.037 111 Y CB 2.014 40.504 38.460 0.049 0.000 1.245 111 Y HN -0.089 nan 8.280 nan 0.000 0.443 112 P HA 0.138 nan 4.420 nan 0.000 0.273 112 P C -0.776 176.481 177.300 -0.072 0.000 1.428 112 P CA 0.113 63.239 63.100 0.042 0.000 0.995 112 P CB 0.826 32.619 31.700 0.155 0.000 1.286 116 V N 3.453 123.440 119.914 0.122 0.000 2.370 116 V HA 0.312 4.441 4.120 0.015 0.000 0.279 116 V C 0.624 176.737 176.094 0.032 0.000 1.029 116 V CA -0.770 61.495 62.300 -0.057 0.000 0.870 116 V CB 1.205 32.954 31.823 -0.122 0.000 0.984 116 V HN 0.819 nan 8.190 nan 0.000 0.451 117 K N 3.581 123.925 120.400 -0.092 0.000 1.984 117 K HA 0.014 4.343 4.320 0.015 0.000 0.209 117 K C 0.595 177.178 176.600 -0.029 0.000 1.046 117 K CA 1.335 57.625 56.287 0.005 0.000 0.934 117 K CB 0.094 32.566 32.500 -0.046 0.000 0.717 117 K HN 0.836 nan 8.250 nan 0.000 0.438 118 K N -1.358 118.955 120.400 -0.145 0.000 2.607 118 K HA 0.300 4.628 4.320 0.015 0.000 0.287 118 K C -1.359 175.081 176.600 -0.267 0.000 0.996 118 K CA -0.721 55.485 56.287 -0.134 0.000 0.876 118 K CB 0.816 33.237 32.500 -0.131 0.000 1.496 118 K HN -0.217 nan 8.250 nan 0.000 0.415 119 F N 0.690 120.673 119.950 0.054 0.000 2.492 119 F HA 0.389 4.924 4.527 0.015 0.000 0.327 119 F C 0.009 175.842 175.800 0.055 0.000 1.079 119 F CA -0.552 57.501 58.000 0.089 0.000 0.967 119 F CB 2.128 41.164 39.000 0.060 0.000 1.169 119 F HN 0.608 nan 8.300 nan 0.000 0.472 120 E N 2.647 123.018 120.200 0.285 0.000 2.185 120 E HA 0.413 4.772 4.350 0.015 0.000 0.261 120 E C -1.293 175.388 176.600 0.134 0.000 0.879 120 E CA -0.289 56.213 56.400 0.170 0.000 0.756 120 E CB 1.061 30.887 29.700 0.210 0.000 1.152 120 E HN 0.766 nan 8.360 nan 0.000 0.416 121 E N 0.000 120.254 120.200 0.090 0.000 2.725 121 E HA 0.000 4.359 4.350 0.015 0.000 0.291 121 E CA 0.000 56.431 56.400 0.051 0.000 0.976 121 E CB 0.000 29.723 29.700 0.038 0.000 0.812 121 E HN 0.000 nan 8.360 nan 0.000 0.440