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 1oqs_1_E DATA FIRST_RESID 1 DATA SEQUENCE NLFQFGEMIL QKTGXKEVVH SYAIYGcYcG WGGQGRAQDA TDRccFVHDc DATA SEQUENCE cYGTVNXDcX NXXXXXXPKT ATYSYSFENG DIVcGDXNDL cLRTVcEcDR DATA SEQUENCE AAAIcLGQNV NTYDKNYEYY SIXSHcTEES EQc 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 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.566 175.510 0.093 0.000 1.280 1 N CA 0.000 53.018 53.050 -0.053 0.000 0.885 1 N CB 0.000 38.468 38.487 -0.031 0.000 1.341 2 L N -0.511 120.771 121.223 0.098 0.000 2.201 2 L HA 0.055 4.394 4.340 -0.001 0.000 0.212 2 L C 1.224 178.174 176.870 0.133 0.000 1.105 2 L CA 1.159 56.095 54.840 0.159 0.000 0.775 2 L CB -0.563 41.516 42.059 0.033 0.000 0.913 2 L HN 0.444 nan 8.230 nan 0.000 0.440 3 F N 0.508 120.509 119.950 0.085 0.000 2.186 3 F HA -0.189 4.338 4.527 -0.001 0.000 0.299 3 F C 2.684 178.532 175.800 0.079 0.000 1.090 3 F CA 1.181 59.221 58.000 0.065 0.000 1.307 3 F CB -0.429 38.594 39.000 0.039 0.000 1.019 3 F HN 0.107 nan 8.300 nan 0.000 0.489 4 Q N -1.180 118.768 119.800 0.248 0.000 2.079 4 Q HA -0.197 4.142 4.340 -0.001 0.000 0.200 4 Q C 2.143 178.256 176.000 0.189 0.000 0.974 4 Q CA 1.393 57.274 55.803 0.131 0.000 0.840 4 Q CB -0.513 28.103 28.738 -0.204 0.000 0.898 4 Q HN 0.362 nan 8.270 nan 0.000 0.430 5 F N 1.378 121.381 119.950 0.088 0.000 2.186 5 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 5 F C 1.993 177.812 175.800 0.033 0.000 1.090 5 F CA 1.386 59.424 58.000 0.063 0.000 1.307 5 F CB -0.956 38.102 39.000 0.097 0.000 1.019 5 F HN 0.009 nan 8.300 nan 0.000 0.489 6 G N 0.243 109.081 108.800 0.064 0.000 2.553 6 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.218 6 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.218 6 G C 1.595 176.525 174.900 0.050 0.000 1.195 6 G CA 1.062 46.149 45.100 -0.022 0.000 0.779 6 G HN 0.451 nan 8.290 nan 0.000 0.577 7 E N 0.057 120.358 120.200 0.169 0.000 2.035 7 E HA -0.242 4.107 4.350 -0.001 0.000 0.204 7 E C 2.701 179.497 176.600 0.326 0.000 1.025 7 E CA 1.817 58.378 56.400 0.268 0.000 0.835 7 E CB -0.306 29.619 29.700 0.375 0.000 0.764 7 E HN 0.490 nan 8.360 nan 0.000 0.457 8 M N 0.234 120.023 119.600 0.314 0.000 2.106 8 M HA -0.224 4.255 4.480 -0.001 0.000 0.259 8 M C 2.441 178.815 176.300 0.124 0.000 1.068 8 M CA 1.519 57.036 55.300 0.362 0.000 1.100 8 M CB -0.618 32.129 32.600 0.245 0.000 1.351 8 M HN 0.150 nan 8.290 nan 0.000 0.404 9 I N 0.226 120.782 120.570 -0.023 0.000 2.179 9 I HA -0.291 3.879 4.170 -0.001 0.000 0.242 9 I C 2.525 178.602 176.117 -0.067 0.000 1.088 9 I CA 0.944 62.148 61.300 -0.160 0.000 1.357 9 I CB -0.464 37.309 38.000 -0.379 0.000 1.051 9 I HN 0.262 nan 8.210 nan 0.000 0.409 10 L N 0.666 121.884 121.223 -0.008 0.000 1.997 10 L HA -0.306 4.033 4.340 -0.001 0.000 0.216 10 L C 2.499 179.348 176.870 -0.035 0.000 1.074 10 L CA 2.000 56.847 54.840 0.011 0.000 0.763 10 L CB -1.047 41.046 42.059 0.056 0.000 0.890 10 L HN 0.277 nan 8.230 nan 0.000 0.434 11 Q N -0.742 119.022 119.800 -0.060 0.000 2.226 11 Q HA -0.183 4.157 4.340 -0.001 0.000 0.204 11 Q C 1.751 177.627 176.000 -0.206 0.000 0.975 11 Q CA 1.291 56.952 55.803 -0.237 0.000 0.866 11 Q CB 0.133 28.453 28.738 -0.696 0.000 0.915 11 Q HN 0.539 nan 8.270 nan 0.000 0.440 12 K N -0.967 119.359 120.400 -0.123 0.000 2.354 12 K HA 0.060 4.380 4.320 -0.001 0.000 0.194 12 K C 1.648 178.208 176.600 -0.067 0.000 1.038 12 K CA 1.055 57.285 56.287 -0.096 0.000 1.052 12 K CB 0.828 33.290 32.500 -0.063 0.000 0.861 12 K HN 0.265 nan 8.250 nan 0.000 0.535 13 T N -3.102 111.421 114.554 -0.053 0.000 2.975 13 T HA 0.266 4.615 4.350 -0.001 0.000 0.261 13 T C 0.925 175.613 174.700 -0.021 0.000 0.984 13 T CA 0.393 62.484 62.100 -0.015 0.000 0.911 13 T CB 0.535 69.434 68.868 0.052 0.000 1.127 13 T HN 0.235 nan 8.240 nan 0.000 0.514 17 E N 1.844 122.066 120.200 0.037 0.000 2.180 17 E HA 0.009 4.359 4.350 -0.001 0.000 0.283 17 E C 0.691 177.323 176.600 0.053 0.000 1.061 17 E CA -0.185 56.262 56.400 0.078 0.000 0.861 17 E CB 1.584 31.387 29.700 0.171 0.000 1.056 17 E HN 0.344 nan 8.360 nan 0.000 0.407 18 V N 4.896 124.834 119.914 0.039 0.000 2.332 18 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 18 V C 2.050 178.137 176.094 -0.012 0.000 1.055 18 V CA 2.356 64.687 62.300 0.051 0.000 1.038 18 V CB -0.111 31.683 31.823 -0.048 0.000 0.651 18 V HN 0.704 nan 8.190 nan 0.000 0.450 19 V N -1.512 118.340 119.914 -0.103 0.000 2.688 19 V HA -0.229 3.890 4.120 -0.001 0.000 0.256 19 V C 2.135 178.006 176.094 -0.371 0.000 1.084 19 V CA 2.374 64.534 62.300 -0.233 0.000 1.103 19 V CB -1.314 30.311 31.823 -0.330 0.000 0.688 19 V HN 0.775 nan 8.190 nan 0.000 0.480 20 H N 0.206 119.286 119.070 0.017 0.000 2.586 20 H HA 0.388 4.943 4.556 -0.000 0.000 0.273 20 H C 1.733 177.036 175.328 -0.042 0.000 0.997 20 H CA 0.858 56.903 56.048 -0.004 0.000 1.177 20 H CB 0.622 30.382 29.762 -0.003 0.000 1.471 20 H HN 0.790 nan 8.280 nan 0.000 0.538 21 S N -1.163 114.545 115.700 0.014 0.000 4.640 21 S HA -0.025 4.445 4.470 -0.001 0.000 0.157 21 S C 1.490 176.095 174.600 0.009 0.000 0.963 21 S CA -0.385 57.789 58.200 -0.043 0.000 1.235 21 S CB -0.274 62.732 63.200 -0.324 0.000 1.848 21 S HN 0.072 nan 8.310 nan 0.000 0.751 22 Y N 2.945 123.296 120.300 0.086 0.000 2.256 22 Y HA 0.192 4.742 4.550 -0.000 0.000 0.288 22 Y C 3.001 178.950 175.900 0.083 0.000 1.155 22 Y CA 0.785 58.915 58.100 0.050 0.000 1.203 22 Y CB -0.851 37.553 38.460 -0.093 0.000 0.980 22 Y HN 0.544 nan 8.280 nan 0.000 0.530 23 A N 0.777 123.701 122.820 0.174 0.000 2.032 23 A HA -0.179 4.141 4.320 -0.001 0.000 0.221 23 A C 1.847 179.537 177.584 0.177 0.000 1.165 23 A CA 1.919 54.050 52.037 0.155 0.000 0.645 23 A CB -1.258 17.798 19.000 0.093 0.000 0.807 23 A HN 0.666 nan 8.150 nan 0.000 0.453 24 I N -5.541 115.087 120.570 0.096 0.000 3.877 24 I HA 0.427 4.596 4.170 -0.001 0.000 0.332 24 I C 0.011 176.178 176.117 0.082 0.000 1.525 24 I CA -0.715 60.594 61.300 0.015 0.000 1.146 24 I CB 0.058 37.861 38.000 -0.328 0.000 1.137 24 I HN 0.125 nan 8.210 nan 0.000 0.424 25 Y N 2.565 122.890 120.300 0.041 0.000 2.342 25 Y HA 0.668 5.217 4.550 -0.001 0.000 0.334 25 Y C 1.097 177.023 175.900 0.043 0.000 1.067 25 Y CA 0.779 58.892 58.100 0.021 0.000 1.128 25 Y CB 1.116 39.584 38.460 0.013 0.000 1.200 25 Y HN 0.451 nan 8.280 nan 0.000 0.464 26 G N 2.627 111.305 108.800 -0.202 0.000 2.575 26 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.267 26 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.267 26 G C 0.463 175.426 174.900 0.105 0.000 1.264 26 G CA 0.004 44.995 45.100 -0.181 0.000 0.935 26 G HN 0.860 nan 8.290 nan 0.000 0.568 27 c N -1.216 117.426 118.600 0.070 0.000 3.228 27 c HA 0.541 5.110 4.570 -0.001 0.000 0.290 27 c C 1.623 175.488 174.090 -0.375 0.000 1.301 27 c CA 0.989 57.276 56.329 -0.070 0.000 1.703 27 c CB -0.840 41.615 42.510 -0.091 0.000 2.141 27 c HN 0.513 nan 8.230 nan 0.000 0.656 28 Y N -2.780 117.607 120.300 0.145 0.000 2.550 28 Y HA 0.133 4.682 4.550 -0.001 0.000 0.275 28 Y C 2.288 178.297 175.900 0.181 0.000 1.148 28 Y CA 0.145 58.345 58.100 0.168 0.000 1.200 28 Y CB -0.480 38.098 38.460 0.196 0.000 1.299 28 Y HN 0.150 nan 8.280 nan 0.000 0.509 29 c N 0.322 119.112 118.600 0.317 0.000 2.457 29 c HA 0.198 4.768 4.570 -0.001 0.000 0.278 29 c C 2.056 176.301 174.090 0.257 0.000 1.309 29 c CA 1.129 57.620 56.329 0.271 0.000 1.735 29 c CB -1.249 41.444 42.510 0.304 0.000 1.992 29 c HN 0.596 nan 8.230 nan 0.000 0.493 30 G N -1.808 107.155 108.800 0.272 0.000 2.714 30 G HA2 0.280 4.239 3.960 -0.001 0.000 0.197 30 G HA3 0.280 4.239 3.960 -0.001 0.000 0.197 30 G C -1.009 174.095 174.900 0.339 0.000 1.449 30 G CA -0.394 44.892 45.100 0.311 0.000 1.065 30 G HN 0.458 nan 8.290 nan 0.000 0.575 31 W N 1.172 122.513 121.300 0.069 0.000 1.496 31 W HA 0.542 5.202 4.660 0.000 0.000 0.422 31 W C 0.870 177.397 176.519 0.013 0.000 0.638 31 W CA -0.246 57.128 57.345 0.049 0.000 2.105 31 W CB 0.376 29.869 29.460 0.056 0.000 1.639 31 W HN 0.610 nan 8.180 nan 0.000 0.304 32 G N -0.440 108.426 108.800 0.111 0.000 2.446 32 G HA2 0.428 4.388 3.960 -0.001 0.000 0.202 32 G HA3 0.428 4.388 3.960 -0.001 0.000 0.202 32 G C 1.047 175.877 174.900 -0.117 0.000 1.842 32 G CA 0.268 45.350 45.100 -0.029 0.000 0.703 32 G HN 0.542 nan 8.290 nan 0.000 0.731 33 G N -0.179 108.429 108.800 -0.319 0.000 2.160 33 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.244 33 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.244 33 G C 0.073 174.899 174.900 -0.124 0.000 1.022 33 G CA 1.162 46.166 45.100 -0.161 0.000 0.741 33 G HN 1.239 nan 8.290 nan 0.000 0.508 34 Q N -2.401 117.188 119.800 -0.351 0.000 2.738 34 Q HA 0.672 5.011 4.340 -0.001 0.000 0.301 34 Q C 0.585 176.531 176.000 -0.091 0.000 0.901 34 Q CA -0.321 55.443 55.803 -0.066 0.000 0.756 34 Q CB 1.016 29.742 28.738 -0.020 0.000 1.463 34 Q HN 1.974 nan 8.270 nan 0.000 0.432 35 G N 0.779 109.612 108.800 0.055 0.000 2.645 35 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.239 35 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.239 35 G C -0.933 174.067 174.900 0.167 0.000 1.331 35 G CA 0.053 45.201 45.100 0.080 0.000 0.890 35 G HN 0.852 nan 8.290 nan 0.000 0.572 36 R N 0.290 120.868 120.500 0.130 0.000 2.349 36 R HA 0.631 4.971 4.340 -0.001 0.000 0.299 36 R C 0.781 177.168 176.300 0.145 0.000 1.027 36 R CA 0.143 56.289 56.100 0.078 0.000 0.958 36 R CB 0.666 30.992 30.300 0.044 0.000 1.047 36 R HN 1.547 nan 8.270 nan 0.000 0.468 37 A N 3.688 126.528 122.820 0.033 0.000 2.524 37 A HA 0.035 4.354 4.320 -0.001 0.000 0.250 37 A C 0.499 178.056 177.584 -0.045 0.000 1.078 37 A CA -0.227 51.836 52.037 0.043 0.000 0.761 37 A CB 0.547 19.456 19.000 -0.152 0.000 1.012 37 A HN 0.887 nan 8.150 nan 0.000 0.500 38 Q N 0.961 120.676 119.800 -0.142 0.000 2.245 38 Q HA 0.021 4.360 4.340 -0.001 0.000 0.201 38 Q C 0.014 175.862 176.000 -0.254 0.000 0.955 38 Q CA 1.492 57.112 55.803 -0.305 0.000 0.870 38 Q CB 0.094 28.326 28.738 -0.843 0.000 0.945 38 Q HN 1.024 nan 8.270 nan 0.000 0.461 39 D N -3.176 117.106 120.400 -0.197 0.000 2.851 39 D HA 0.271 4.910 4.640 -0.001 0.000 0.339 39 D C 0.200 176.493 176.300 -0.010 0.000 1.347 39 D CA 0.036 53.995 54.000 -0.067 0.000 0.888 39 D CB -0.132 40.658 40.800 -0.017 0.000 1.431 39 D HN -0.168 nan 8.370 nan 0.000 0.509 40 A N -0.318 122.516 122.820 0.024 0.000 1.930 40 A HA -0.022 4.297 4.320 -0.001 0.000 0.217 40 A C 1.987 179.589 177.584 0.030 0.000 1.175 40 A CA 2.342 54.395 52.037 0.027 0.000 0.627 40 A CB -1.195 17.824 19.000 0.033 0.000 0.815 40 A HN 0.590 nan 8.150 nan 0.000 0.443 41 T N -0.205 114.371 114.554 0.037 0.000 2.684 41 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 41 T C 1.746 176.466 174.700 0.034 0.000 1.036 41 T CA 1.867 63.972 62.100 0.009 0.000 1.148 41 T CB -0.405 68.415 68.868 -0.080 0.000 0.863 41 T HN 0.548 nan 8.240 nan 0.000 0.436 42 D N 0.366 120.823 120.400 0.095 0.000 2.144 42 D HA -0.033 4.607 4.640 -0.001 0.000 0.199 42 D C 2.424 178.808 176.300 0.141 0.000 0.984 42 D CA 0.974 55.066 54.000 0.154 0.000 0.834 42 D CB -0.073 40.766 40.800 0.064 0.000 0.955 42 D HN 0.227 nan 8.370 nan 0.000 0.465 43 R N -0.506 120.041 120.500 0.079 0.000 2.092 43 R HA -0.080 4.259 4.340 -0.001 0.000 0.231 43 R C 2.546 178.913 176.300 0.111 0.000 1.119 43 R CA 1.090 57.249 56.100 0.098 0.000 0.970 43 R CB -0.504 29.832 30.300 0.059 0.000 0.864 43 R HN 0.305 nan 8.270 nan 0.000 0.440 44 c N -0.213 118.421 118.600 0.056 0.000 2.385 44 c HA -0.229 4.340 4.570 -0.001 0.000 0.275 44 c C 2.876 176.993 174.090 0.045 0.000 1.207 44 c CA 0.511 56.852 56.329 0.021 0.000 1.760 44 c CB -1.030 41.462 42.510 -0.029 0.000 2.051 44 c HN 0.623 nan 8.230 nan 0.000 0.467 45 c N -0.372 118.285 118.600 0.094 0.000 2.450 45 c HA -0.038 4.532 4.570 -0.001 0.000 0.279 45 c C 2.419 176.618 174.090 0.182 0.000 1.335 45 c CA 0.574 56.990 56.329 0.146 0.000 1.749 45 c CB -1.626 41.006 42.510 0.203 0.000 1.963 45 c HN 0.679 nan 8.230 nan 0.000 0.501 46 F N 1.899 121.844 119.950 -0.009 0.000 2.134 46 F HA -0.130 4.396 4.527 -0.001 0.000 0.299 46 F C 2.156 177.885 175.800 -0.119 0.000 1.097 46 F CA 1.651 59.539 58.000 -0.187 0.000 1.264 46 F CB -0.701 38.007 39.000 -0.487 0.000 1.001 46 F HN 0.041 nan 8.300 nan 0.000 0.479 47 V N 0.096 119.820 119.914 -0.315 0.000 2.407 47 V HA -0.320 3.800 4.120 -0.001 0.000 0.248 47 V C 2.383 178.294 176.094 -0.304 0.000 1.055 47 V CA 2.331 64.390 62.300 -0.402 0.000 1.049 47 V CB -1.066 30.653 31.823 -0.174 0.000 0.662 47 V HN 0.523 nan 8.190 nan 0.000 0.455 48 H N 0.364 119.263 119.070 -0.286 0.000 2.353 48 H HA -0.159 4.396 4.556 -0.001 0.000 0.300 48 H C 2.067 177.158 175.328 -0.395 0.000 1.090 48 H CA 2.067 57.902 56.048 -0.355 0.000 1.327 48 H CB -0.092 29.477 29.762 -0.321 0.000 1.383 48 H HN 0.381 nan 8.280 nan 0.000 0.508 49 D N -0.595 119.652 120.400 -0.255 0.000 2.117 49 D HA -0.155 4.484 4.640 -0.001 0.000 0.197 49 D C 2.434 178.595 176.300 -0.232 0.000 0.987 49 D CA 1.343 55.225 54.000 -0.197 0.000 0.829 49 D CB -0.732 40.081 40.800 0.023 0.000 0.961 49 D HN 0.429 nan 8.370 nan 0.000 0.460 50 c N 0.277 118.656 118.600 -0.368 0.000 2.413 50 c HA -0.157 4.412 4.570 -0.001 0.000 0.277 50 c C 3.039 176.997 174.090 -0.221 0.000 1.265 50 c CA 0.144 56.278 56.329 -0.325 0.000 1.752 50 c CB -1.036 41.164 42.510 -0.515 0.000 1.998 50 c HN 0.478 nan 8.230 nan 0.000 0.489 51 c N -0.499 117.945 118.600 -0.259 0.000 2.446 51 c HA -0.097 4.472 4.570 -0.001 0.000 0.277 51 c C 2.638 176.683 174.090 -0.075 0.000 1.275 51 c CA 0.834 57.050 56.329 -0.189 0.000 1.727 51 c CB -1.448 40.916 42.510 -0.243 0.000 2.010 51 c HN 0.652 nan 8.230 nan 0.000 0.486 52 Y N 1.009 121.099 120.300 -0.349 0.000 2.293 52 Y HA 0.068 4.617 4.550 -0.001 0.000 0.291 52 Y C 2.638 178.428 175.900 -0.183 0.000 1.137 52 Y CA 1.269 59.197 58.100 -0.287 0.000 1.202 52 Y CB -1.348 36.926 38.460 -0.310 0.000 0.990 52 Y HN 0.425 nan 8.280 nan 0.000 0.537 53 G N -1.384 107.417 108.800 0.001 0.000 2.679 53 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.212 53 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.212 53 G C 1.554 176.429 174.900 -0.042 0.000 1.137 53 G CA 1.310 46.395 45.100 -0.024 0.000 0.787 53 G HN 0.461 nan 8.290 nan 0.000 0.534 54 T N -2.237 112.285 114.554 -0.053 0.000 3.086 54 T HA 0.323 4.672 4.350 -0.001 0.000 0.250 54 T C 0.511 175.174 174.700 -0.061 0.000 1.074 54 T CA -0.234 61.832 62.100 -0.057 0.000 0.988 54 T CB 0.335 69.165 68.868 -0.064 0.000 0.988 54 T HN -0.116 nan 8.240 nan 0.000 0.530 55 V N 3.246 123.115 119.914 -0.074 0.000 2.439 55 V HA 0.466 4.585 4.120 -0.001 0.000 0.282 55 V C -0.264 175.780 176.094 -0.083 0.000 1.039 55 V CA -0.963 61.282 62.300 -0.092 0.000 0.913 55 V CB 1.161 32.898 31.823 -0.143 0.000 0.983 55 V HN 0.466 nan 8.190 nan 0.000 0.460 69 K N 1.256 121.528 120.400 -0.214 0.000 2.243 69 K HA 0.029 4.348 4.320 -0.001 0.000 0.201 69 K C 0.936 177.515 176.600 -0.035 0.000 1.051 69 K CA 1.817 58.071 56.287 -0.055 0.000 0.970 69 K CB 0.192 32.680 32.500 -0.020 0.000 0.755 69 K HN 0.294 nan 8.250 nan 0.000 0.465 70 T N -2.483 112.040 114.554 -0.053 0.000 3.040 70 T HA 0.401 4.751 4.350 -0.001 0.000 0.266 70 T C 0.342 175.025 174.700 -0.028 0.000 1.005 70 T CA -0.288 61.796 62.100 -0.027 0.000 0.906 70 T CB 0.660 69.517 68.868 -0.019 0.000 1.082 70 T HN 0.162 nan 8.240 nan 0.000 0.531 71 A N 2.061 124.859 122.820 -0.038 0.000 2.438 71 A HA 0.487 4.807 4.320 -0.001 0.000 0.280 71 A C 0.431 178.005 177.584 -0.016 0.000 1.160 71 A CA -0.187 51.847 52.037 -0.005 0.000 0.821 71 A CB -0.408 18.600 19.000 0.012 0.000 1.101 71 A HN 0.336 nan 8.150 nan 0.000 0.515 72 T N 4.630 119.163 114.554 -0.035 0.000 2.794 72 T HA 0.449 4.798 4.350 -0.001 0.000 0.304 72 T C -0.190 174.481 174.700 -0.047 0.000 0.973 72 T CA 0.179 62.209 62.100 -0.116 0.000 0.972 72 T CB -0.649 68.184 68.868 -0.057 0.000 0.952 72 T HN 0.552 nan 8.240 nan 0.000 0.509 73 Y N 0.409 120.752 120.300 0.072 0.000 2.565 73 Y HA 0.784 5.333 4.550 -0.001 0.000 0.325 73 Y C 0.196 176.160 175.900 0.107 0.000 1.221 73 Y CA -1.967 56.174 58.100 0.069 0.000 1.316 73 Y CB 0.414 38.907 38.460 0.055 0.000 1.404 73 Y HN 0.329 nan 8.280 nan 0.000 0.527 74 S N 1.125 117.046 115.700 0.369 0.000 2.437 74 S HA 0.581 5.051 4.470 -0.001 0.000 0.305 74 S C -1.472 173.318 174.600 0.317 0.000 1.109 74 S CA -0.714 57.635 58.200 0.247 0.000 1.099 74 S CB 0.175 63.431 63.200 0.094 0.000 1.004 74 S HN 0.750 nan 8.310 nan 0.000 0.475 75 Y N -0.348 120.021 120.300 0.115 0.000 2.571 75 Y HA 0.825 5.375 4.550 -0.001 0.000 0.341 75 Y C -0.770 175.065 175.900 -0.108 0.000 1.076 75 Y CA -1.207 56.897 58.100 0.007 0.000 1.029 75 Y CB 0.928 39.407 38.460 0.031 0.000 1.308 75 Y HN 0.686 nan 8.280 nan 0.000 0.461 76 S N 1.441 116.971 115.700 -0.283 0.000 2.595 76 S HA 0.787 5.256 4.470 -0.001 0.000 0.281 76 S C -1.690 172.790 174.600 -0.199 0.000 1.117 76 S CA -0.797 57.151 58.200 -0.420 0.000 0.873 76 S CB 1.577 64.653 63.200 -0.207 0.000 1.108 76 S HN 0.484 nan 8.310 nan 0.000 0.477 77 F N 1.637 121.622 119.950 0.058 0.000 2.420 77 F HA 0.637 5.164 4.527 -0.001 0.000 0.342 77 F C 0.705 176.532 175.800 0.046 0.000 1.113 77 F CA -0.483 57.574 58.000 0.095 0.000 1.059 77 F CB 1.407 40.468 39.000 0.102 0.000 1.128 77 F HN 0.812 nan 8.300 nan 0.000 0.475 78 E N 1.433 121.772 120.200 0.232 0.000 2.375 78 E HA 0.247 4.596 4.350 -0.001 0.000 0.280 78 E C -0.540 176.119 176.600 0.099 0.000 0.972 78 E CA -0.932 55.545 56.400 0.128 0.000 0.782 78 E CB 1.397 31.144 29.700 0.079 0.000 1.229 78 E HN 0.499 nan 8.360 nan 0.000 0.439 79 N N 0.682 119.423 118.700 0.068 0.000 2.650 79 N HA -0.241 4.499 4.740 -0.001 0.000 0.249 79 N C 0.795 176.335 175.510 0.051 0.000 1.155 79 N CA 1.935 55.014 53.050 0.049 0.000 0.747 79 N CB -1.000 37.513 38.487 0.043 0.000 1.132 79 N HN 1.183 nan 8.380 nan 0.000 0.564 80 G N -0.041 108.799 108.800 0.067 0.000 2.249 80 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.273 80 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.273 80 G C -0.415 174.528 174.900 0.072 0.000 1.036 80 G CA 0.679 45.809 45.100 0.049 0.000 0.824 80 G HN 0.680 nan 8.290 nan 0.000 0.504 81 D N -0.696 119.774 120.400 0.117 0.000 2.457 81 D HA 0.600 5.239 4.640 -0.001 0.000 0.240 81 D C 0.420 176.847 176.300 0.211 0.000 1.041 81 D CA -0.830 53.244 54.000 0.124 0.000 0.861 81 D CB 1.109 41.959 40.800 0.084 0.000 1.394 81 D HN 0.135 nan 8.370 nan 0.000 0.473 82 I N 2.158 122.859 120.570 0.219 0.000 2.395 82 I HA 0.202 4.371 4.170 -0.001 0.000 0.289 82 I C -0.226 175.980 176.117 0.148 0.000 1.023 82 I CA -0.581 60.882 61.300 0.271 0.000 1.350 82 I CB 1.392 39.553 38.000 0.269 0.000 1.409 82 I HN 0.065 nan 8.210 nan 0.000 0.507 83 V N 6.101 126.095 119.914 0.134 0.000 2.417 83 V HA 0.242 4.362 4.120 -0.001 0.000 0.291 83 V C -0.363 175.773 176.094 0.071 0.000 1.024 83 V CA -0.613 61.733 62.300 0.076 0.000 0.861 83 V CB 1.505 33.359 31.823 0.053 0.000 0.985 83 V HN 0.777 nan 8.190 nan 0.000 0.436 84 c N 4.302 122.921 118.600 0.031 0.000 2.223 84 c HA 0.541 5.111 4.570 -0.001 0.000 0.324 84 c C 1.501 175.597 174.090 0.010 0.000 1.196 84 c CA -0.150 56.185 56.329 0.010 0.000 1.628 84 c CB -0.082 42.387 42.510 -0.069 0.000 2.229 84 c HN 1.109 nan 8.230 nan 0.000 0.486 85 G N 2.347 111.168 108.800 0.034 0.000 3.189 85 G HA2 0.053 4.012 3.960 -0.001 0.000 0.225 85 G HA3 0.053 4.012 3.960 -0.001 0.000 0.225 85 G C 0.311 175.224 174.900 0.022 0.000 1.159 85 G CA 0.028 45.141 45.100 0.021 0.000 0.763 85 G HN 0.668 nan 8.290 nan 0.000 0.549 89 D N 3.208 123.611 120.400 0.005 0.000 2.389 89 D HA 0.041 4.680 4.640 -0.001 0.000 0.263 89 D C 1.887 178.183 176.300 -0.005 0.000 1.255 89 D CA -0.098 53.903 54.000 0.002 0.000 0.914 89 D CB 0.812 41.618 40.800 0.010 0.000 1.116 89 D HN 0.251 nan 8.370 nan 0.000 0.502 90 L N 3.022 124.237 121.223 -0.013 0.000 2.081 90 L HA -0.189 4.151 4.340 -0.001 0.000 0.212 90 L C 2.748 179.600 176.870 -0.030 0.000 1.080 90 L CA 0.830 55.657 54.840 -0.022 0.000 0.754 90 L CB -1.097 40.948 42.059 -0.023 0.000 0.893 90 L HN 0.405 nan 8.230 nan 0.000 0.433 91 c N 0.483 119.067 118.600 -0.027 0.000 2.466 91 c HA 0.024 4.593 4.570 -0.001 0.000 0.278 91 c C 2.774 176.846 174.090 -0.029 0.000 1.288 91 c CA 0.426 56.733 56.329 -0.037 0.000 1.722 91 c CB -0.802 41.686 42.510 -0.037 0.000 2.017 91 c HN 0.528 nan 8.230 nan 0.000 0.488 92 L N 0.544 121.768 121.223 0.001 0.000 2.056 92 L HA -0.082 4.258 4.340 -0.001 0.000 0.207 92 L C 2.802 179.666 176.870 -0.011 0.000 1.078 92 L CA 1.507 56.374 54.840 0.045 0.000 0.749 92 L CB -0.847 41.270 42.059 0.095 0.000 0.901 92 L HN 0.218 nan 8.230 nan 0.000 0.433 93 R N 0.269 120.750 120.500 -0.032 0.000 2.105 93 R HA -0.140 4.199 4.340 -0.001 0.000 0.239 93 R C 2.144 178.374 176.300 -0.116 0.000 1.135 93 R CA 2.140 58.196 56.100 -0.073 0.000 0.967 93 R CB -0.830 29.443 30.300 -0.046 0.000 0.861 93 R HN 0.258 nan 8.270 nan 0.000 0.442 94 T N -0.505 113.993 114.554 -0.093 0.000 2.809 94 T HA -0.027 4.322 4.350 -0.001 0.000 0.260 94 T C 1.804 176.428 174.700 -0.127 0.000 1.039 94 T CA 1.288 63.329 62.100 -0.099 0.000 1.141 94 T CB -0.259 68.562 68.868 -0.079 0.000 0.869 94 T HN 0.000 nan 8.240 nan 0.000 0.437 95 V N 1.233 121.072 119.914 -0.126 0.000 2.282 95 V HA -0.248 3.871 4.120 -0.001 0.000 0.249 95 V C 2.844 178.794 176.094 -0.240 0.000 1.057 95 V CA 1.769 63.996 62.300 -0.121 0.000 1.032 95 V CB -0.828 30.957 31.823 -0.063 0.000 0.645 95 V HN 0.708 nan 8.190 nan 0.000 0.447 96 c N 0.261 118.546 118.600 -0.525 0.000 2.425 96 c HA -0.131 4.438 4.570 -0.001 0.000 0.277 96 c C 2.739 176.557 174.090 -0.452 0.000 1.280 96 c CA 1.179 56.929 56.329 -0.965 0.000 1.744 96 c CB -1.070 40.758 42.510 -1.136 0.000 1.989 96 c HN 0.615 nan 8.230 nan 0.000 0.491 97 E N -0.160 119.879 120.200 -0.268 0.000 2.107 97 E HA -0.137 4.212 4.350 -0.001 0.000 0.191 97 E C 2.309 178.828 176.600 -0.136 0.000 0.982 97 E CA 1.409 57.710 56.400 -0.165 0.000 0.809 97 E CB -0.664 28.967 29.700 -0.115 0.000 0.756 97 E HN 0.760 nan 8.360 nan 0.000 0.459 98 c N 1.660 120.182 118.600 -0.131 0.000 2.393 98 c HA -0.164 4.405 4.570 -0.001 0.000 0.276 98 c C 2.321 176.344 174.090 -0.111 0.000 1.215 98 c CA 0.937 57.194 56.329 -0.120 0.000 1.743 98 c CB -0.843 41.597 42.510 -0.116 0.000 2.044 98 c HN 0.420 nan 8.230 nan 0.000 0.464 99 D N 0.094 120.382 120.400 -0.186 0.000 2.087 99 D HA -0.150 4.489 4.640 -0.001 0.000 0.192 99 D C 2.189 178.416 176.300 -0.121 0.000 0.993 99 D CA 1.295 55.061 54.000 -0.390 0.000 0.828 99 D CB -0.668 39.970 40.800 -0.269 0.000 0.968 99 D HN 0.510 nan 8.370 nan 0.000 0.448 100 R N 1.007 121.448 120.500 -0.099 0.000 2.136 100 R HA -0.254 4.085 4.340 -0.001 0.000 0.242 100 R C 2.133 178.434 176.300 0.001 0.000 1.131 100 R CA 2.303 58.391 56.100 -0.019 0.000 0.937 100 R CB -0.524 29.752 30.300 -0.040 0.000 0.863 100 R HN 0.144 nan 8.270 nan 0.000 0.435 101 A N 0.423 123.225 122.820 -0.030 0.000 1.948 101 A HA -0.149 4.170 4.320 -0.001 0.000 0.220 101 A C 2.398 179.974 177.584 -0.012 0.000 1.177 101 A CA 2.045 54.069 52.037 -0.022 0.000 0.636 101 A CB -0.813 18.163 19.000 -0.040 0.000 0.815 101 A HN 0.669 nan 8.150 nan 0.000 0.449 102 A N -0.643 122.173 122.820 -0.007 0.000 1.970 102 A HA 0.338 4.657 4.320 -0.001 0.000 0.216 102 A C 2.429 180.027 177.584 0.023 0.000 1.170 102 A CA 1.546 53.580 52.037 -0.004 0.000 0.645 102 A CB -0.792 18.154 19.000 -0.091 0.000 0.816 102 A HN 0.998 nan 8.150 nan 0.000 0.447 103 A N 0.088 122.971 122.820 0.104 0.000 1.933 103 A HA -0.054 4.265 4.320 -0.001 0.000 0.218 103 A C 2.076 179.643 177.584 -0.028 0.000 1.175 103 A CA 1.459 53.519 52.037 0.038 0.000 0.628 103 A CB -0.528 18.540 19.000 0.113 0.000 0.814 103 A HN 0.482 nan 8.150 nan 0.000 0.444 104 I N -1.098 119.471 120.570 -0.002 0.000 2.163 104 I HA -0.278 3.891 4.170 -0.001 0.000 0.240 104 I C 2.682 178.783 176.117 -0.027 0.000 1.081 104 I CA 1.213 62.507 61.300 -0.010 0.000 1.353 104 I CB -0.425 37.577 38.000 0.004 0.000 1.054 104 I HN 0.540 nan 8.210 nan 0.000 0.407 105 c N 1.297 119.879 118.600 -0.030 0.000 2.401 105 c HA -0.190 4.379 4.570 -0.001 0.000 0.276 105 c C 2.766 176.823 174.090 -0.056 0.000 1.233 105 c CA 1.096 57.404 56.329 -0.034 0.000 1.753 105 c CB -1.071 41.421 42.510 -0.030 0.000 2.029 105 c HN 0.401 nan 8.230 nan 0.000 0.478 106 L N 0.663 121.818 121.223 -0.114 0.000 2.056 106 L HA 0.040 4.379 4.340 -0.001 0.000 0.207 106 L C 2.918 179.738 176.870 -0.083 0.000 1.078 106 L CA 1.723 56.453 54.840 -0.185 0.000 0.749 106 L CB -1.141 40.629 42.059 -0.482 0.000 0.901 106 L HN 0.551 nan 8.230 nan 0.000 0.433 107 G N -0.754 108.002 108.800 -0.074 0.000 2.421 107 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.216 107 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.216 107 G C 1.457 176.352 174.900 -0.008 0.000 1.171 107 G CA 0.408 45.489 45.100 -0.032 0.000 0.775 107 G HN 0.403 nan 8.290 nan 0.000 0.543 108 Q N 0.146 119.939 119.800 -0.010 0.000 2.297 108 Q HA -0.050 4.290 4.340 -0.001 0.000 0.208 108 Q C 1.279 177.290 176.000 0.018 0.000 0.981 108 Q CA 0.953 56.758 55.803 0.003 0.000 0.876 108 Q CB -0.022 28.716 28.738 0.001 0.000 0.921 108 Q HN 0.457 nan 8.270 nan 0.000 0.446 109 N N 0.054 118.770 118.700 0.027 0.000 2.234 109 N HA 0.019 4.758 4.740 -0.001 0.000 0.227 109 N C 1.421 176.989 175.510 0.097 0.000 1.151 109 N CA 0.317 53.399 53.050 0.053 0.000 0.865 109 N CB 1.092 39.608 38.487 0.047 0.000 1.066 109 N HN 0.141 nan 8.380 nan 0.000 0.515 110 V N 0.171 120.143 119.914 0.097 0.000 2.568 110 V HA -0.223 3.896 4.120 -0.001 0.000 0.253 110 V C 1.941 178.117 176.094 0.137 0.000 1.072 110 V CA 1.699 64.082 62.300 0.138 0.000 1.084 110 V CB -0.714 31.153 31.823 0.073 0.000 0.676 110 V HN 0.275 nan 8.190 nan 0.000 0.469 111 N N 1.990 120.746 118.700 0.093 0.000 2.550 111 N HA -0.109 4.630 4.740 -0.001 0.000 0.186 111 N C 1.345 176.916 175.510 0.102 0.000 1.110 111 N CA 1.546 54.645 53.050 0.083 0.000 0.912 111 N CB -0.648 37.871 38.487 0.053 0.000 0.968 111 N HN 0.769 nan 8.380 nan 0.000 0.448 112 T N -4.669 109.959 114.554 0.123 0.000 3.085 112 T HA 0.091 4.441 4.350 -0.001 0.000 0.264 112 T C 0.122 174.927 174.700 0.175 0.000 1.019 112 T CA -0.754 61.421 62.100 0.125 0.000 0.910 112 T CB -0.862 68.064 68.868 0.098 0.000 1.059 112 T HN 0.132 nan 8.240 nan 0.000 0.542 113 Y N 3.364 123.721 120.300 0.096 0.000 2.804 113 Y HA 0.242 4.792 4.550 -0.001 0.000 0.338 113 Y C -0.114 175.898 175.900 0.186 0.000 1.252 113 Y CA -0.202 57.970 58.100 0.120 0.000 1.576 113 Y CB 0.104 38.565 38.460 0.001 0.000 1.223 113 Y HN 0.142 nan 8.280 nan 0.000 0.536 114 D N 5.821 126.226 120.400 0.010 0.000 2.440 114 D HA 0.177 4.816 4.640 -0.001 0.000 0.239 114 D C 0.306 176.541 176.300 -0.108 0.000 1.084 114 D CA -0.502 53.498 54.000 0.000 0.000 0.843 114 D CB 1.331 42.096 40.800 -0.057 0.000 1.097 114 D HN 0.651 nan 8.370 nan 0.000 0.531 115 K N 1.920 122.342 120.400 0.037 0.000 2.281 115 K HA -0.118 4.201 4.320 -0.001 0.000 0.203 115 K C 1.187 177.719 176.600 -0.113 0.000 1.046 115 K CA 0.957 57.276 56.287 0.053 0.000 0.938 115 K CB 0.026 32.599 32.500 0.123 0.000 0.737 115 K HN 0.447 nan 8.250 nan 0.000 0.458 116 N N -0.405 118.152 118.700 -0.238 0.000 2.588 116 N HA -0.154 4.586 4.740 -0.001 0.000 0.190 116 N C 0.607 175.829 175.510 -0.480 0.000 1.094 116 N CA 0.598 53.452 53.050 -0.327 0.000 0.921 116 N CB 0.033 38.261 38.487 -0.432 0.000 0.959 116 N HN 0.192 nan 8.380 nan 0.000 0.448 117 Y N 1.063 121.049 120.300 -0.523 0.000 2.482 117 Y HA 0.178 4.728 4.550 -0.001 0.000 0.270 117 Y C 0.171 175.731 175.900 -0.567 0.000 1.152 117 Y CA -0.315 57.269 58.100 -0.861 0.000 1.292 117 Y CB 0.046 37.514 38.460 -1.654 0.000 1.070 117 Y HN 0.008 nan 8.280 nan 0.000 0.528 118 E N 0.168 120.249 120.200 -0.200 0.000 2.324 118 E HA 0.004 4.353 4.350 -0.001 0.000 0.271 118 E C -0.728 175.891 176.600 0.032 0.000 1.028 118 E CA 0.124 56.443 56.400 -0.135 0.000 0.890 118 E CB 0.062 29.677 29.700 -0.143 0.000 1.004 118 E HN 0.301 nan 8.360 nan 0.000 0.431 119 Y N 0.021 120.382 120.300 0.102 0.000 4.729 119 Y HA -0.328 4.221 4.550 -0.001 0.000 0.239 119 Y C 0.742 176.731 175.900 0.147 0.000 1.043 119 Y CA 0.578 58.734 58.100 0.094 0.000 2.045 119 Y CB -2.724 35.770 38.460 0.055 0.000 1.599 119 Y HN 0.720 nan 8.280 nan 0.000 0.655 120 Y N 1.258 121.630 120.300 0.120 0.000 2.274 120 Y HA -0.255 4.294 4.550 -0.001 0.000 0.290 120 Y C 2.422 178.469 175.900 0.246 0.000 1.145 120 Y CA 1.852 60.029 58.100 0.129 0.000 1.203 120 Y CB -0.159 38.285 38.460 -0.027 0.000 0.984 120 Y HN 0.366 nan 8.280 nan 0.000 0.533 121 S N 0.450 116.293 115.700 0.238 0.000 2.383 121 S HA -0.164 4.306 4.470 -0.001 0.000 0.227 121 S C 1.211 175.850 174.600 0.066 0.000 1.026 121 S CA 0.545 58.832 58.200 0.144 0.000 0.981 121 S CB -1.449 61.850 63.200 0.164 0.000 0.818 121 S HN 0.447 nan 8.310 nan 0.000 0.472 125 H N -0.176 118.694 119.070 -0.334 0.000 4.229 125 H HA 0.656 5.212 4.556 -0.001 0.000 0.422 125 H C 0.483 175.697 175.328 -0.190 0.000 1.416 125 H CA -0.350 55.486 56.048 -0.353 0.000 0.985 125 H CB -0.440 28.833 29.762 -0.814 0.000 1.019 125 H HN 0.301 nan 8.280 nan 0.000 0.780 126 c N 0.550 119.188 118.600 0.063 0.000 4.365 126 c HA -0.157 4.413 4.570 -0.001 0.000 0.299 126 c C 1.595 175.698 174.090 0.021 0.000 1.409 126 c CA 1.201 57.564 56.329 0.056 0.000 2.007 126 c CB -2.922 39.595 42.510 0.012 0.000 1.264 126 c HN 0.886 nan 8.230 nan 0.000 0.777 127 T N -0.772 113.796 114.554 0.025 0.000 3.069 127 T HA 0.091 4.441 4.350 -0.001 0.000 0.252 127 T C 0.741 175.456 174.700 0.025 0.000 1.053 127 T CA 0.477 62.583 62.100 0.010 0.000 0.964 127 T CB 0.201 69.060 68.868 -0.014 0.000 1.005 127 T HN 0.740 nan 8.240 nan 0.000 0.532 128 E N 1.948 122.174 120.200 0.043 0.000 2.410 128 E HA 0.186 4.536 4.350 -0.001 0.000 0.255 128 E C 0.271 176.890 176.600 0.033 0.000 1.194 128 E CA -0.253 56.171 56.400 0.040 0.000 0.955 128 E CB 0.348 30.078 29.700 0.049 0.000 0.988 128 E HN 0.359 nan 8.360 nan 0.000 0.461 129 E N 0.361 120.575 120.200 0.025 0.000 2.502 129 E HA -0.021 4.328 4.350 -0.001 0.000 0.261 129 E C -0.776 175.840 176.600 0.026 0.000 0.974 129 E CA -0.030 56.383 56.400 0.021 0.000 0.936 129 E CB 0.445 30.152 29.700 0.012 0.000 0.926 129 E HN 0.359 nan 8.360 nan 0.000 0.459 130 S N 3.658 119.380 115.700 0.037 0.000 2.601 130 S HA 0.114 4.584 4.470 -0.001 0.000 0.271 130 S C -0.304 174.295 174.600 -0.001 0.000 1.305 130 S CA -0.983 57.255 58.200 0.063 0.000 1.022 130 S CB 1.055 64.320 63.200 0.109 0.000 0.940 130 S HN 0.494 nan 8.310 nan 0.000 0.525 131 E N 1.709 121.852 120.200 -0.095 0.000 2.422 131 E HA 0.079 4.428 4.350 -0.001 0.000 0.260 131 E C -0.449 176.085 176.600 -0.111 0.000 1.108 131 E CA 0.118 56.291 56.400 -0.377 0.000 0.943 131 E CB 0.258 29.188 29.700 -1.283 0.000 0.961 131 E HN 0.375 nan 8.360 nan 0.000 0.443 132 Q N 0.845 120.646 119.800 0.002 0.000 2.303 132 Q HA 0.244 4.584 4.340 -0.001 0.000 0.267 132 Q C -0.358 175.833 176.000 0.318 0.000 1.011 132 Q CA -0.495 55.408 55.803 0.167 0.000 0.740 132 Q CB 1.241 30.027 28.738 0.080 0.000 1.250 132 Q HN 0.515 nan 8.270 nan 0.000 0.458 133 c N 0.000 118.797 118.600 0.329 0.000 2.653 133 c HA 0.000 4.569 4.570 -0.001 0.000 0.325 133 c CA 0.000 56.396 56.329 0.112 0.000 1.963 133 c CB 0.000 42.499 42.510 -0.019 0.000 2.134 133 c HN 0.000 nan 8.230 nan 0.000 0.568