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 1qmp_1_B DATA FIRST_RESID 2 DATA SEQUENCE SIKVCIADDN RELVSLLDEY ISSQPDMEVI GTAYNGQDCL QMLEEKRPDI DATA SEQUENCE LLLXIIMPHL DGLAVLERIR AXXXXQPNVI MLTAFGQEDV TKKAVELGAS DATA SEQUENCE YFILKPFDME NLAHHIRQVY GXXTPVV 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.468 174.600 -0.220 0.000 1.055 2 S CA 0.000 58.120 58.200 -0.134 0.000 1.107 2 S CB 0.000 63.140 63.200 -0.100 0.000 0.593 3 I N 1.884 122.253 120.570 -0.335 0.000 2.416 3 I HA 0.299 4.469 4.170 0.000 0.000 0.288 3 I C 0.012 176.015 176.117 -0.190 0.000 1.051 3 I CA -0.468 60.573 61.300 -0.433 0.000 1.375 3 I CB 0.744 38.421 38.000 -0.538 0.000 1.407 3 I HN 0.404 nan 8.210 nan 0.000 0.516 4 K N 6.641 126.978 120.400 -0.106 0.000 2.211 4 K HA 0.506 4.826 4.320 0.000 0.000 0.275 4 K C -0.727 175.853 176.600 -0.035 0.000 1.024 4 K CA -0.545 55.710 56.287 -0.053 0.000 0.887 4 K CB 1.833 34.319 32.500 -0.024 0.000 1.084 4 K HN 0.262 nan 8.250 nan 0.000 0.463 5 V N 2.581 122.474 119.914 -0.035 0.000 2.555 5 V HA 0.344 4.464 4.120 0.000 0.000 0.302 5 V C -0.108 175.973 176.094 -0.022 0.000 1.038 5 V CA -0.880 61.406 62.300 -0.022 0.000 0.887 5 V CB 1.927 33.738 31.823 -0.020 0.000 0.991 5 V HN 0.809 nan 8.190 nan 0.000 0.434 6 C N 5.106 124.393 119.300 -0.021 0.000 2.435 6 C HA 0.727 5.187 4.460 0.000 0.000 0.333 6 C C -0.096 174.872 174.990 -0.037 0.000 1.202 6 C CA -0.590 58.409 59.018 -0.033 0.000 1.830 6 C CB 0.869 28.589 27.740 -0.035 0.000 2.326 6 C HN 0.738 nan 8.230 nan 0.000 0.507 7 I N 2.472 123.010 120.570 -0.053 0.000 2.498 7 I HA 0.611 4.781 4.170 0.000 0.000 0.290 7 I C -0.015 176.053 176.117 -0.082 0.000 1.032 7 I CA -0.112 61.156 61.300 -0.053 0.000 1.073 7 I CB 1.496 39.476 38.000 -0.034 0.000 1.251 7 I HN 0.728 nan 8.210 nan 0.000 0.426 8 A N 5.133 127.915 122.820 -0.064 0.000 2.332 8 A HA 0.739 5.059 4.320 0.000 0.000 0.300 8 A C -1.269 176.303 177.584 -0.021 0.000 1.153 8 A CA -0.349 51.651 52.037 -0.063 0.000 0.764 8 A CB 1.040 20.009 19.000 -0.052 0.000 1.174 8 A HN 0.704 nan 8.150 nan 0.000 0.467 9 D N 1.832 122.247 120.400 0.026 0.000 2.769 9 D HA 0.109 4.749 4.640 0.000 0.000 0.219 9 D C -0.757 175.646 176.300 0.171 0.000 1.245 9 D CA -0.177 53.867 54.000 0.073 0.000 0.801 9 D CB 1.810 42.653 40.800 0.071 0.000 1.598 9 D HN 0.502 nan 8.370 nan 0.000 0.485 10 D N 1.290 121.770 120.400 0.133 0.000 2.349 10 D HA -0.089 4.551 4.640 0.000 0.000 0.224 10 D C 0.322 176.681 176.300 0.097 0.000 1.029 10 D CA -0.096 53.993 54.000 0.148 0.000 0.879 10 D CB -0.047 40.798 40.800 0.074 0.000 0.906 10 D HN 0.114 nan 8.370 nan 0.000 0.528 11 N N 1.174 119.936 118.700 0.103 0.000 2.482 11 N HA 0.058 4.798 4.740 0.000 0.000 0.242 11 N C 0.684 176.246 175.510 0.086 0.000 1.100 11 N CA -0.233 52.856 53.050 0.066 0.000 0.946 11 N CB 0.686 39.216 38.487 0.072 0.000 1.227 11 N HN -0.159 nan 8.380 nan 0.000 0.508 12 R N 2.051 122.542 120.500 -0.015 0.000 2.105 12 R HA -0.102 4.238 4.340 0.000 0.000 0.239 12 R C 1.372 177.706 176.300 0.056 0.000 1.135 12 R CA 1.295 57.366 56.100 -0.048 0.000 0.967 12 R CB -0.055 30.088 30.300 -0.261 0.000 0.861 12 R HN 0.536 nan 8.270 nan 0.000 0.442 13 E N -0.122 120.097 120.200 0.032 0.000 2.077 13 E HA -0.136 4.214 4.350 0.000 0.000 0.193 13 E C 1.613 178.259 176.600 0.077 0.000 0.989 13 E CA 0.813 57.240 56.400 0.046 0.000 0.800 13 E CB -0.191 29.525 29.700 0.026 0.000 0.746 13 E HN 0.133 nan 8.360 nan 0.000 0.452 14 L N -0.437 120.842 121.223 0.092 0.000 2.056 14 L HA -0.099 4.241 4.340 0.000 0.000 0.207 14 L C 2.055 179.010 176.870 0.142 0.000 1.078 14 L CA 1.267 56.179 54.840 0.120 0.000 0.749 14 L CB -0.454 41.688 42.059 0.138 0.000 0.901 14 L HN 0.030 nan 8.230 nan 0.000 0.433 15 V N -0.826 119.185 119.914 0.160 0.000 2.332 15 V HA -0.302 3.818 4.120 0.000 0.000 0.248 15 V C 2.807 178.985 176.094 0.140 0.000 1.055 15 V CA 1.912 64.309 62.300 0.162 0.000 1.038 15 V CB -0.854 31.122 31.823 0.256 0.000 0.651 15 V HN 0.690 nan 8.190 nan 0.000 0.450 16 S N -0.377 115.407 115.700 0.141 0.000 2.368 16 S HA -0.135 4.335 4.470 0.000 0.000 0.225 16 S C 1.930 176.591 174.600 0.102 0.000 1.030 16 S CA 1.618 59.884 58.200 0.111 0.000 0.999 16 S CB -0.321 62.936 63.200 0.095 0.000 0.844 16 S HN 0.530 nan 8.310 nan 0.000 0.459 17 L N 0.807 122.093 121.223 0.105 0.000 2.093 17 L HA -0.036 4.304 4.340 0.000 0.000 0.208 17 L C 2.551 179.516 176.870 0.158 0.000 1.085 17 L CA 0.995 55.902 54.840 0.111 0.000 0.755 17 L CB -0.580 41.531 42.059 0.086 0.000 0.904 17 L HN 0.318 nan 8.230 nan 0.000 0.435 18 L N -0.311 121.013 121.223 0.167 0.000 2.017 18 L HA -0.233 4.107 4.340 0.000 0.000 0.208 18 L C 2.441 179.408 176.870 0.163 0.000 1.073 18 L CA 1.289 56.245 54.840 0.194 0.000 0.745 18 L CB -0.544 41.609 42.059 0.157 0.000 0.894 18 L HN 0.322 nan 8.230 nan 0.000 0.432 19 D N 0.130 120.597 120.400 0.112 0.000 2.104 19 D HA -0.265 4.375 4.640 0.000 0.000 0.194 19 D C 2.028 178.371 176.300 0.071 0.000 0.994 19 D CA 1.552 55.596 54.000 0.074 0.000 0.830 19 D CB 0.072 40.906 40.800 0.058 0.000 0.959 19 D HN 0.314 nan 8.370 nan 0.000 0.452 20 E N -1.376 118.877 120.200 0.088 0.000 2.038 20 E HA -0.258 4.092 4.350 0.000 0.000 0.195 20 E C 2.250 178.900 176.600 0.083 0.000 1.000 20 E CA 1.006 57.453 56.400 0.077 0.000 0.803 20 E CB -0.403 29.350 29.700 0.088 0.000 0.750 20 E HN 0.410 nan 8.360 nan 0.000 0.448 21 Y N 0.961 121.286 120.300 0.041 0.000 2.145 21 Y HA -0.181 4.369 4.550 0.000 0.000 0.286 21 Y C 2.078 177.999 175.900 0.036 0.000 1.145 21 Y CA 1.893 60.020 58.100 0.044 0.000 1.148 21 Y CB -0.214 38.286 38.460 0.067 0.000 0.981 21 Y HN 0.049 nan 8.280 nan 0.000 0.507 22 I N -0.798 119.781 120.570 0.015 0.000 2.226 22 I HA -0.327 3.843 4.170 0.000 0.000 0.245 22 I C 2.352 178.396 176.117 -0.122 0.000 1.100 22 I CA 1.628 62.891 61.300 -0.063 0.000 1.374 22 I CB -0.497 37.526 38.000 0.038 0.000 1.057 22 I HN 0.106 nan 8.210 nan 0.000 0.413 23 S N 0.251 115.906 115.700 -0.074 0.000 2.442 23 S HA -0.144 4.326 4.470 0.000 0.000 0.236 23 S C 2.055 176.593 174.600 -0.102 0.000 1.007 23 S CA 1.481 59.639 58.200 -0.070 0.000 0.965 23 S CB -0.311 62.870 63.200 -0.031 0.000 0.773 23 S HN 0.633 nan 8.310 nan 0.000 0.504 24 S N 0.610 116.214 115.700 -0.160 0.000 2.527 24 S HA 0.080 4.550 4.470 0.000 0.000 0.222 24 S C 0.606 175.081 174.600 -0.207 0.000 0.985 24 S CA -0.071 58.027 58.200 -0.170 0.000 0.921 24 S CB -0.095 62.998 63.200 -0.178 0.000 0.772 24 S HN 0.248 nan 8.310 nan 0.000 0.529 25 Q N 2.223 121.873 119.800 -0.249 0.000 2.288 25 Q HA 0.281 4.621 4.340 0.000 0.000 0.254 25 Q C -1.684 174.242 176.000 -0.124 0.000 0.932 25 Q CA -2.162 53.521 55.803 -0.200 0.000 0.902 25 Q CB 0.804 29.418 28.738 -0.207 0.000 1.203 25 Q HN 0.254 nan 8.270 nan 0.000 0.415 26 P HA -0.111 nan 4.420 nan 0.000 0.225 26 P C 0.142 177.399 177.300 -0.071 0.000 1.156 26 P CA 1.053 64.112 63.100 -0.070 0.000 0.787 26 P CB 0.465 32.133 31.700 -0.053 0.000 0.802 27 D N -1.303 119.046 120.400 -0.084 0.000 2.501 27 D HA 0.189 4.829 4.640 0.000 0.000 0.226 27 D C 0.403 176.622 176.300 -0.134 0.000 1.198 27 D CA -0.109 53.832 54.000 -0.099 0.000 0.830 27 D CB -0.174 40.571 40.800 -0.090 0.000 1.014 27 D HN 0.189 nan 8.370 nan 0.000 0.496 28 M N 0.366 119.895 119.600 -0.119 0.000 2.575 28 M HA 0.376 4.856 4.480 0.000 0.000 0.284 28 M C -1.329 174.916 176.300 -0.093 0.000 1.253 28 M CA -0.654 54.573 55.300 -0.123 0.000 0.861 28 M CB 3.485 36.019 32.600 -0.111 0.000 1.733 28 M HN -0.017 nan 8.290 nan 0.000 0.462 29 E N 0.491 120.643 120.200 -0.080 0.000 2.372 29 E HA 0.585 4.935 4.350 0.000 0.000 0.279 29 E C -1.822 174.751 176.600 -0.044 0.000 0.946 29 E CA -0.973 55.392 56.400 -0.057 0.000 0.769 29 E CB 2.164 31.834 29.700 -0.049 0.000 1.230 29 E HN 0.389 nan 8.360 nan 0.000 0.442 30 V N 3.998 123.893 119.914 -0.032 0.000 2.406 30 V HA 0.153 4.273 4.120 0.000 0.000 0.272 30 V C 1.061 177.140 176.094 -0.025 0.000 1.043 30 V CA -0.303 61.983 62.300 -0.024 0.000 0.915 30 V CB 0.675 32.490 31.823 -0.014 0.000 0.988 30 V HN 0.764 nan 8.190 nan 0.000 0.466 31 I N 1.809 122.363 120.570 -0.026 0.000 4.018 31 I HA 0.691 4.861 4.170 0.000 0.000 0.337 31 I C 0.639 176.739 176.117 -0.029 0.000 1.327 31 I CA 0.086 61.372 61.300 -0.025 0.000 1.100 31 I CB 0.530 38.517 38.000 -0.021 0.000 1.025 31 I HN 0.625 nan 8.210 nan 0.000 0.396 32 G N 1.124 109.901 108.800 -0.038 0.000 2.556 32 G HA2 0.481 4.441 3.960 0.000 0.000 0.294 32 G HA3 0.481 4.441 3.960 0.000 0.000 0.294 32 G C -1.045 173.807 174.900 -0.081 0.000 1.516 32 G CA -0.017 45.050 45.100 -0.054 0.000 0.824 32 G HN 0.228 nan 8.290 nan 0.000 0.535 33 T N -2.029 112.447 114.554 -0.130 0.000 2.903 33 T HA 0.961 5.311 4.350 0.000 0.000 0.299 33 T C -0.357 174.146 174.700 -0.328 0.000 1.093 33 T CA -0.175 61.794 62.100 -0.219 0.000 1.002 33 T CB 2.092 70.803 68.868 -0.262 0.000 1.127 33 T HN 2.254 nan 8.240 nan 0.000 0.488 34 A N 0.899 123.480 122.820 -0.398 0.000 2.549 34 A HA 0.698 5.018 4.320 0.000 0.000 0.297 34 A C -1.218 176.139 177.584 -0.378 0.000 1.061 34 A CA -0.870 50.952 52.037 -0.359 0.000 0.690 34 A CB 1.034 19.946 19.000 -0.147 0.000 1.287 34 A HN 0.865 nan 8.150 nan 0.000 0.402 35 Y N 0.794 121.107 120.300 0.022 0.000 2.531 35 Y HA 0.234 4.784 4.550 0.000 0.000 0.249 35 Y C 0.591 176.512 175.900 0.035 0.000 1.168 35 Y CA -0.098 58.017 58.100 0.025 0.000 1.226 35 Y CB 0.249 38.726 38.460 0.028 0.000 1.177 35 Y HN 0.863 nan 8.280 nan 0.000 0.527 36 N N -3.093 115.689 118.700 0.136 0.000 3.020 36 N HA 0.348 5.088 4.740 0.000 0.000 0.248 36 N C 0.867 176.419 175.510 0.070 0.000 1.480 36 N CA -0.333 52.788 53.050 0.119 0.000 0.874 36 N CB 0.378 38.987 38.487 0.203 0.000 1.433 36 N HN -0.096 nan 8.380 nan 0.000 0.530 37 G N -0.735 108.103 108.800 0.063 0.000 2.418 37 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 37 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 37 G C 0.861 175.781 174.900 0.034 0.000 1.158 37 G CA 0.725 45.847 45.100 0.037 0.000 0.771 37 G HN 0.513 nan 8.290 nan 0.000 0.545 38 Q N 0.407 120.240 119.800 0.055 0.000 2.079 38 Q HA -0.080 4.260 4.340 0.000 0.000 0.200 38 Q C 2.221 178.227 176.000 0.010 0.000 0.974 38 Q CA 1.287 57.106 55.803 0.027 0.000 0.840 38 Q CB -0.261 28.487 28.738 0.017 0.000 0.898 38 Q HN 0.374 nan 8.270 nan 0.000 0.430 39 D N -0.197 120.213 120.400 0.017 0.000 2.178 39 D HA -0.115 4.525 4.640 0.000 0.000 0.202 39 D C 1.955 178.244 176.300 -0.018 0.000 0.974 39 D CA 0.526 54.526 54.000 -0.001 0.000 0.841 39 D CB -0.428 40.378 40.800 0.010 0.000 0.953 39 D HN 0.218 nan 8.370 nan 0.000 0.478 40 C N 0.334 119.625 119.300 -0.015 0.000 2.432 40 C HA -0.072 4.388 4.460 0.000 0.000 0.277 40 C C 2.733 177.711 174.990 -0.020 0.000 1.249 40 C CA 0.409 59.410 59.018 -0.028 0.000 1.725 40 C CB -1.196 26.530 27.740 -0.023 0.000 2.028 40 C HN 0.290 nan 8.230 nan 0.000 0.477 41 L N 0.502 121.719 121.223 -0.011 0.000 2.083 41 L HA -0.168 4.172 4.340 0.000 0.000 0.209 41 L C 2.752 179.615 176.870 -0.011 0.000 1.083 41 L CA 1.941 56.776 54.840 -0.008 0.000 0.752 41 L CB -0.845 41.212 42.059 -0.003 0.000 0.899 41 L HN 0.425 nan 8.230 nan 0.000 0.433 42 Q N 0.269 120.062 119.800 -0.012 0.000 2.084 42 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 42 Q C 2.253 178.243 176.000 -0.017 0.000 0.978 42 Q CA 1.821 57.616 55.803 -0.013 0.000 0.844 42 Q CB -0.233 28.497 28.738 -0.014 0.000 0.898 42 Q HN 0.415 nan 8.270 nan 0.000 0.426 43 M N -0.724 118.862 119.600 -0.023 0.000 2.149 43 M HA -0.157 4.323 4.480 0.000 0.000 0.261 43 M C 1.328 177.614 176.300 -0.022 0.000 1.064 43 M CA 1.480 56.763 55.300 -0.029 0.000 1.102 43 M CB -0.008 32.565 32.600 -0.044 0.000 1.369 43 M HN 0.343 nan 8.290 nan 0.000 0.408 44 L N -0.292 120.920 121.223 -0.019 0.000 2.291 44 L HA -0.093 4.247 4.340 0.000 0.000 0.214 44 L C 2.312 179.176 176.870 -0.009 0.000 1.120 44 L CA 0.515 55.347 54.840 -0.013 0.000 0.799 44 L CB -0.625 41.428 42.059 -0.011 0.000 0.925 44 L HN 0.317 nan 8.230 nan 0.000 0.446 45 E N 0.408 120.602 120.200 -0.010 0.000 2.152 45 E HA -0.159 4.191 4.350 0.000 0.000 0.192 45 E C 1.732 178.327 176.600 -0.007 0.000 0.983 45 E CA 0.993 57.389 56.400 -0.007 0.000 0.818 45 E CB 0.232 29.928 29.700 -0.007 0.000 0.758 45 E HN 0.601 nan 8.360 nan 0.000 0.467 46 E N -0.035 120.159 120.200 -0.010 0.000 2.276 46 E HA 0.024 4.374 4.350 0.000 0.000 0.193 46 E C 0.318 176.912 176.600 -0.009 0.000 0.983 46 E CA 0.489 56.883 56.400 -0.009 0.000 0.861 46 E CB 0.490 30.183 29.700 -0.011 0.000 0.817 46 E HN -0.101 nan 8.360 nan 0.000 0.485 47 K N 0.563 120.957 120.400 -0.011 0.000 2.281 47 K HA 0.419 4.739 4.320 0.000 0.000 0.242 47 K C -0.166 176.431 176.600 -0.006 0.000 0.971 47 K CA -0.774 55.508 56.287 -0.010 0.000 0.834 47 K CB 1.572 34.063 32.500 -0.015 0.000 1.181 47 K HN -0.180 nan 8.250 nan 0.000 0.435 48 R N 2.070 122.569 120.500 -0.002 0.000 2.724 48 R HA 0.272 4.612 4.340 0.000 0.000 0.284 48 R C -2.317 173.989 176.300 0.009 0.000 1.481 48 R CA -1.699 54.404 56.100 0.004 0.000 1.652 48 R CB 0.438 30.742 30.300 0.007 0.000 1.175 48 R HN 0.505 nan 8.270 nan 0.000 0.613 49 P HA 0.140 nan 4.420 nan 0.000 0.272 49 P C -0.034 177.286 177.300 0.033 0.000 1.230 49 P CA -0.236 62.871 63.100 0.011 0.000 0.788 49 P CB 1.443 33.144 31.700 0.001 0.000 0.949 50 D N 0.121 120.554 120.400 0.054 0.000 2.162 50 D HA 0.049 4.689 4.640 0.000 0.000 0.203 50 D C 0.589 176.946 176.300 0.095 0.000 0.967 50 D CA 1.412 55.479 54.000 0.113 0.000 0.840 50 D CB 0.270 41.188 40.800 0.198 0.000 0.972 50 D HN 0.234 nan 8.370 nan 0.000 0.482 51 I N 1.175 121.780 120.570 0.058 0.000 2.582 51 I HA 0.250 4.420 4.170 0.000 0.000 0.292 51 I C -0.747 175.379 176.117 0.015 0.000 1.066 51 I CA -0.934 60.392 61.300 0.043 0.000 1.053 51 I CB 2.335 40.359 38.000 0.041 0.000 1.241 51 I HN -0.186 nan 8.210 nan 0.000 0.421 52 L N 7.290 128.517 121.223 0.007 0.000 2.325 52 L HA 0.566 4.906 4.340 0.000 0.000 0.281 52 L C -1.236 175.619 176.870 -0.025 0.000 1.004 52 L CA -0.228 54.605 54.840 -0.012 0.000 0.823 52 L CB 1.359 43.409 42.059 -0.016 0.000 1.236 52 L HN 0.391 nan 8.230 nan 0.000 0.415 53 L N 5.914 127.115 121.223 -0.038 0.000 2.264 53 L HA 0.511 4.851 4.340 0.000 0.000 0.289 53 L C -0.439 176.385 176.870 -0.077 0.000 1.044 53 L CA -0.449 54.352 54.840 -0.065 0.000 0.807 53 L CB 1.391 43.409 42.059 -0.069 0.000 1.192 53 L HN 0.565 nan 8.230 nan 0.000 0.425 57 I N 4.033 124.565 120.570 -0.063 0.000 2.471 57 I HA 0.172 4.342 4.170 0.000 0.000 0.294 57 I C -0.392 175.691 176.117 -0.056 0.000 1.123 57 I CA 1.098 62.345 61.300 -0.088 0.000 1.336 57 I CB -0.042 37.893 38.000 -0.108 0.000 1.430 57 I HN 0.186 nan 8.210 nan 0.000 0.533 58 M N 7.796 127.361 119.600 -0.059 0.000 2.520 58 M HA 0.476 4.956 4.480 0.000 0.000 0.283 58 M C -2.634 173.618 176.300 -0.079 0.000 1.237 58 M CA -1.608 53.667 55.300 -0.042 0.000 0.885 58 M CB 2.924 35.518 32.600 -0.010 0.000 1.727 58 M HN 0.131 nan 8.290 nan 0.000 0.468 59 P HA 0.252 nan 4.420 nan 0.000 0.276 59 P C -1.144 176.022 177.300 -0.223 0.000 1.261 59 P CA 0.082 63.005 63.100 -0.295 0.000 0.800 59 P CB 0.070 31.496 31.700 -0.456 0.000 1.066 60 H N -0.499 118.570 119.070 -0.002 0.000 2.604 60 H HA -0.131 4.425 4.556 0.000 0.000 0.324 60 H C -0.342 174.984 175.328 -0.003 0.000 1.068 60 H CA 0.082 56.130 56.048 -0.000 0.000 1.091 60 H CB -2.102 27.664 29.762 0.007 0.000 1.611 60 H HN 0.297 nan 8.280 nan 0.000 0.387 61 L N -0.451 120.810 121.223 0.063 0.000 2.178 61 L HA -0.172 4.168 4.340 0.000 0.000 0.544 61 L C 0.369 177.241 176.870 0.003 0.000 1.001 61 L CA 0.650 55.507 54.840 0.029 0.000 1.227 61 L CB -0.222 41.857 42.059 0.033 0.000 1.826 61 L HN 0.667 nan 8.230 nan 0.000 0.953 62 D N 2.459 122.848 120.400 -0.018 0.000 2.433 62 D HA 0.385 5.025 4.640 0.000 0.000 0.255 62 D C 1.321 177.606 176.300 -0.025 0.000 1.226 62 D CA 0.161 54.142 54.000 -0.033 0.000 1.015 62 D CB 0.844 41.611 40.800 -0.056 0.000 1.091 62 D HN 0.474 nan 8.370 nan 0.000 0.527 63 G N -0.811 107.968 108.800 -0.035 0.000 2.448 63 G HA2 -0.145 3.815 3.960 0.000 0.000 0.219 63 G HA3 -0.145 3.815 3.960 0.000 0.000 0.219 63 G C 1.557 176.443 174.900 -0.024 0.000 1.127 63 G CA 0.354 45.432 45.100 -0.036 0.000 0.766 63 G HN 0.441 nan 8.290 nan 0.000 0.552 64 L N 0.231 121.446 121.223 -0.013 0.000 2.156 64 L HA 0.054 4.394 4.340 0.000 0.000 0.208 64 L C 3.310 180.182 176.870 0.003 0.000 1.095 64 L CA 0.801 55.645 54.840 0.005 0.000 0.770 64 L CB -0.307 41.764 42.059 0.019 0.000 0.914 64 L HN 0.306 nan 8.230 nan 0.000 0.439 65 A N -0.203 122.615 122.820 -0.003 0.000 1.898 65 A HA -0.114 4.206 4.320 0.000 0.000 0.216 65 A C 2.325 179.909 177.584 0.001 0.000 1.181 65 A CA 1.329 53.366 52.037 0.000 0.000 0.620 65 A CB -0.665 18.335 19.000 -0.000 0.000 0.819 65 A HN 0.158 nan 8.150 nan 0.000 0.442 66 V N -0.193 119.719 119.914 -0.003 0.000 2.255 66 V HA -0.262 3.858 4.120 0.000 0.000 0.247 66 V C 2.498 178.590 176.094 -0.004 0.000 1.051 66 V CA 2.077 64.375 62.300 -0.004 0.000 1.018 66 V CB -0.828 30.988 31.823 -0.011 0.000 0.641 66 V HN 0.579 nan 8.190 nan 0.000 0.445 67 L N 0.229 121.450 121.223 -0.004 0.000 2.012 67 L HA -0.226 4.114 4.340 0.000 0.000 0.210 67 L C 2.478 179.352 176.870 0.006 0.000 1.073 67 L CA 2.480 57.321 54.840 0.001 0.000 0.748 67 L CB -0.710 41.352 42.059 0.004 0.000 0.891 67 L HN 0.459 nan 8.230 nan 0.000 0.431 68 E N -0.832 119.372 120.200 0.008 0.000 2.058 68 E HA -0.262 4.088 4.350 0.000 0.000 0.194 68 E C 2.312 178.916 176.600 0.006 0.000 0.997 68 E CA 1.394 57.799 56.400 0.009 0.000 0.801 68 E CB -0.063 29.642 29.700 0.009 0.000 0.746 68 E HN 0.461 nan 8.360 nan 0.000 0.450 69 R N 0.013 120.516 120.500 0.004 0.000 2.115 69 R HA -0.069 4.271 4.340 0.000 0.000 0.230 69 R C 2.469 178.770 176.300 0.003 0.000 1.111 69 R CA 1.197 57.299 56.100 0.003 0.000 0.976 69 R CB -0.245 30.057 30.300 0.003 0.000 0.870 69 R HN 0.305 nan 8.270 nan 0.000 0.445 70 I N 0.486 121.057 120.570 0.002 0.000 2.179 70 I HA -0.300 3.870 4.170 0.000 0.000 0.242 70 I C 2.835 178.955 176.117 0.004 0.000 1.088 70 I CA 1.270 62.571 61.300 0.002 0.000 1.357 70 I CB -0.283 37.717 38.000 0.001 0.000 1.051 70 I HN 0.166 nan 8.210 nan 0.000 0.409 71 R N 1.554 122.058 120.500 0.006 0.000 2.081 71 R HA -0.087 4.253 4.340 0.000 0.000 0.235 71 R C 1.439 177.742 176.300 0.006 0.000 1.131 71 R CA 1.100 57.204 56.100 0.007 0.000 0.960 71 R CB -0.194 30.112 30.300 0.010 0.000 0.856 71 R HN 0.310 nan 8.270 nan 0.000 0.436 78 P HA 0.105 nan 4.420 nan 0.000 0.272 78 P C -0.859 176.456 177.300 0.024 0.000 1.240 78 P CA -0.215 62.898 63.100 0.023 0.000 0.791 78 P CB 0.641 32.352 31.700 0.018 0.000 0.978 79 N N -0.651 118.070 118.700 0.036 0.000 2.488 79 N HA 0.279 5.019 4.740 0.000 0.000 0.274 79 N C -0.686 174.846 175.510 0.036 0.000 1.111 79 N CA -0.648 52.425 53.050 0.037 0.000 0.974 79 N CB 0.744 39.257 38.487 0.044 0.000 1.089 79 N HN 0.106 nan 8.380 nan 0.000 0.465 80 V N 4.083 124.016 119.914 0.030 0.000 2.427 80 V HA 0.349 4.469 4.120 0.000 0.000 0.286 80 V C 0.178 176.286 176.094 0.024 0.000 1.034 80 V CA -0.515 61.794 62.300 0.014 0.000 0.893 80 V CB 1.064 32.887 31.823 0.001 0.000 0.982 80 V HN 0.564 nan 8.190 nan 0.000 0.452 81 I N 5.723 126.294 120.570 0.002 0.000 2.354 81 I HA 0.338 4.508 4.170 0.000 0.000 0.286 81 I C -0.129 175.916 176.117 -0.121 0.000 1.007 81 I CA -0.535 60.764 61.300 -0.001 0.000 1.167 81 I CB 1.577 39.600 38.000 0.039 0.000 1.320 81 I HN 0.423 nan 8.210 nan 0.000 0.458 82 M N 6.926 126.387 119.600 -0.233 0.000 2.239 82 M HA 0.176 4.656 4.480 0.000 0.000 0.348 82 M C -0.558 175.455 176.300 -0.479 0.000 1.239 82 M CA -0.220 54.799 55.300 -0.468 0.000 1.114 82 M CB 0.302 32.342 32.600 -0.934 0.000 1.641 82 M HN 0.333 nan 8.290 nan 0.000 0.453 83 L N 3.612 124.605 121.223 -0.382 0.000 2.485 83 L HA 0.563 4.903 4.340 0.000 0.000 0.260 83 L C -0.647 176.086 176.870 -0.228 0.000 0.998 83 L CA 0.323 54.970 54.840 -0.321 0.000 0.883 83 L CB 1.403 43.270 42.059 -0.321 0.000 1.196 83 L HN 0.878 nan 8.230 nan 0.000 0.443 84 T N 1.736 116.179 114.554 -0.186 0.000 2.853 84 T HA 0.652 5.002 4.350 0.000 0.000 0.311 84 T C 0.674 175.420 174.700 0.077 0.000 1.307 84 T CA 0.196 62.264 62.100 -0.053 0.000 1.019 84 T CB 1.663 70.467 68.868 -0.105 0.000 1.264 84 T HN 0.509 nan 8.240 nan 0.000 0.497 85 A N 2.175 125.075 122.820 0.133 0.000 2.119 85 A HA 0.294 4.614 4.320 0.000 0.000 0.216 85 A C 0.673 178.369 177.584 0.186 0.000 1.152 85 A CA 0.335 52.465 52.037 0.155 0.000 0.708 85 A CB -0.459 18.633 19.000 0.153 0.000 0.805 85 A HN 0.665 nan 8.150 nan 0.000 0.460 86 F N 1.267 121.271 119.950 0.091 0.000 2.467 86 F HA 0.463 4.990 4.527 -0.000 0.000 0.349 86 F C 1.166 177.078 175.800 0.187 0.000 1.182 86 F CA -0.587 57.477 58.000 0.106 0.000 1.279 86 F CB 0.243 39.286 39.000 0.073 0.000 1.626 86 F HN 0.058 nan 8.300 nan 0.000 0.596 87 G N 3.774 112.578 108.800 0.007 0.000 3.741 87 G HA2 0.004 3.964 3.960 0.000 0.000 0.263 87 G HA3 0.004 3.964 3.960 0.000 0.000 0.263 87 G C 0.101 174.883 174.900 -0.197 0.000 1.175 87 G CA -0.315 44.784 45.100 -0.001 0.000 1.642 87 G HN 0.398 nan 8.290 nan 0.000 0.644 88 Q N 0.436 120.089 119.800 -0.244 0.000 2.392 88 Q HA 0.046 4.386 4.340 0.000 0.000 0.262 88 Q C 0.970 176.895 176.000 -0.125 0.000 1.003 88 Q CA -0.210 55.451 55.803 -0.236 0.000 0.888 88 Q CB 0.827 29.421 28.738 -0.240 0.000 1.260 88 Q HN 0.369 nan 8.270 nan 0.000 0.435 89 E N 2.450 122.583 120.200 -0.112 0.000 2.097 89 E HA -0.204 4.146 4.350 0.000 0.000 0.196 89 E C 1.023 177.581 176.600 -0.071 0.000 1.000 89 E CA 1.433 57.772 56.400 -0.100 0.000 0.804 89 E CB 0.233 29.887 29.700 -0.076 0.000 0.740 89 E HN 0.600 nan 8.360 nan 0.000 0.454 90 D N 0.089 120.476 120.400 -0.022 0.000 2.234 90 D HA -0.061 4.579 4.640 0.000 0.000 0.205 90 D C 2.068 178.382 176.300 0.023 0.000 0.962 90 D CA 0.389 54.391 54.000 0.003 0.000 0.855 90 D CB 0.142 40.960 40.800 0.030 0.000 0.951 90 D HN 0.039 nan 8.370 nan 0.000 0.500 91 V N 1.618 121.565 119.914 0.055 0.000 2.488 91 V HA -0.181 3.939 4.120 0.000 0.000 0.246 91 V C 2.828 178.964 176.094 0.069 0.000 1.046 91 V CA 2.025 64.400 62.300 0.125 0.000 1.053 91 V CB -0.697 31.291 31.823 0.274 0.000 0.679 91 V HN 0.335 nan 8.190 nan 0.000 0.458 92 T N -1.517 112.946 114.554 -0.153 0.000 2.746 92 T HA -0.244 4.106 4.350 0.000 0.000 0.267 92 T C 1.861 176.453 174.700 -0.179 0.000 1.039 92 T CA 1.451 63.291 62.100 -0.434 0.000 1.142 92 T CB -0.321 68.168 68.868 -0.632 0.000 0.866 92 T HN 0.402 nan 8.240 nan 0.000 0.444 93 K N 0.843 121.179 120.400 -0.107 0.000 2.026 93 K HA -0.049 4.271 4.320 0.000 0.000 0.208 93 K C 2.505 179.102 176.600 -0.006 0.000 1.048 93 K CA 1.451 57.707 56.287 -0.052 0.000 0.929 93 K CB -0.189 32.287 32.500 -0.040 0.000 0.713 93 K HN 0.230 nan 8.250 nan 0.000 0.439 94 K N 1.257 121.669 120.400 0.019 0.000 2.057 94 K HA -0.107 4.213 4.320 0.000 0.000 0.207 94 K C 1.829 178.468 176.600 0.065 0.000 1.049 94 K CA 1.530 57.843 56.287 0.043 0.000 0.931 94 K CB -0.373 32.161 32.500 0.056 0.000 0.714 94 K HN 0.149 nan 8.250 nan 0.000 0.440 95 A N 0.004 122.891 122.820 0.111 0.000 1.902 95 A HA -0.131 4.189 4.320 0.000 0.000 0.217 95 A C 2.375 180.021 177.584 0.103 0.000 1.181 95 A CA 1.872 54.002 52.037 0.155 0.000 0.623 95 A CB -0.938 18.282 19.000 0.368 0.000 0.818 95 A HN 0.194 nan 8.150 nan 0.000 0.443 96 V N 0.197 120.152 119.914 0.068 0.000 2.453 96 V HA -0.202 3.918 4.120 0.000 0.000 0.247 96 V C 2.408 178.523 176.094 0.034 0.000 1.048 96 V CA 2.503 64.830 62.300 0.045 0.000 1.049 96 V CB -0.338 31.494 31.823 0.016 0.000 0.672 96 V HN 0.793 nan 8.190 nan 0.000 0.457 97 E N -0.212 120.004 120.200 0.027 0.000 2.110 97 E HA -0.211 4.139 4.350 0.000 0.000 0.193 97 E C 1.989 178.604 176.600 0.025 0.000 0.988 97 E CA 1.548 57.961 56.400 0.022 0.000 0.804 97 E CB -0.192 29.519 29.700 0.017 0.000 0.745 97 E HN 0.652 nan 8.360 nan 0.000 0.458 98 L N -0.616 120.627 121.223 0.032 0.000 2.552 98 L HA 0.110 4.450 4.340 0.000 0.000 0.227 98 L C 1.476 178.363 176.870 0.029 0.000 1.146 98 L CA 0.639 55.496 54.840 0.029 0.000 0.858 98 L CB 0.153 42.232 42.059 0.033 0.000 0.969 98 L HN 0.490 nan 8.230 nan 0.000 0.451 99 G N -0.518 108.303 108.800 0.035 0.000 2.168 99 G HA2 -0.185 3.775 3.960 0.000 0.000 0.197 99 G HA3 -0.185 3.775 3.960 0.000 0.000 0.197 99 G C 0.372 175.298 174.900 0.043 0.000 0.997 99 G CA -0.204 44.916 45.100 0.034 0.000 0.658 99 G HN 0.420 nan 8.290 nan 0.000 0.513 100 A N 0.491 123.344 122.820 0.056 0.000 2.511 100 A HA 0.660 4.980 4.320 0.000 0.000 0.242 100 A C 1.569 179.204 177.584 0.085 0.000 1.069 100 A CA 1.319 53.395 52.037 0.065 0.000 0.763 100 A CB 0.409 19.461 19.000 0.087 0.000 1.001 100 A HN 0.914 nan 8.150 nan 0.000 0.498 101 S N 0.212 115.968 115.700 0.094 0.000 2.414 101 S HA 0.124 4.594 4.470 0.000 0.000 0.227 101 S C 0.068 174.814 174.600 0.244 0.000 1.022 101 S CA 1.209 59.486 58.200 0.128 0.000 0.958 101 S CB -0.208 63.053 63.200 0.101 0.000 0.797 101 S HN 0.740 nan 8.310 nan 0.000 0.493 102 Y N -1.170 119.153 120.300 0.038 0.000 2.725 102 Y HA 0.557 5.107 4.550 0.000 0.000 0.333 102 Y C -2.251 173.706 175.900 0.095 0.000 1.242 102 Y CA -2.202 55.922 58.100 0.041 0.000 1.059 102 Y CB 1.354 39.807 38.460 -0.011 0.000 1.306 102 Y HN -0.011 nan 8.280 nan 0.000 0.454 103 F N 4.220 123.721 119.950 -0.748 0.000 2.689 103 F HA 0.650 5.177 4.527 -0.000 0.000 0.332 103 F C -1.968 173.540 175.800 -0.486 0.000 1.209 103 F CA -1.051 56.696 58.000 -0.423 0.000 1.028 103 F CB 0.761 39.567 39.000 -0.323 0.000 1.291 103 F HN 0.305 nan 8.300 nan 0.000 0.500 104 I N 6.397 126.900 120.570 -0.113 0.000 2.474 104 I HA 0.377 4.547 4.170 0.000 0.000 0.294 104 I C -0.698 175.431 176.117 0.021 0.000 1.005 104 I CA -0.871 60.401 61.300 -0.048 0.000 1.113 104 I CB 1.936 39.887 38.000 -0.083 0.000 1.289 104 I HN 0.437 nan 8.210 nan 0.000 0.436 105 L N 5.757 127.047 121.223 0.112 0.000 2.375 105 L HA 0.387 4.727 4.340 0.000 0.000 0.271 105 L C -0.001 176.977 176.870 0.180 0.000 1.107 105 L CA -0.695 54.230 54.840 0.143 0.000 0.806 105 L CB 1.200 43.338 42.059 0.131 0.000 1.146 105 L HN 0.548 nan 8.230 nan 0.000 0.447 106 K N 3.410 123.926 120.400 0.194 0.000 2.174 106 K HA 0.375 4.695 4.320 0.000 0.000 0.275 106 K C -2.257 174.438 176.600 0.158 0.000 1.015 106 K CA -1.532 54.924 56.287 0.282 0.000 0.933 106 K CB 0.591 33.242 32.500 0.252 0.000 1.025 106 K HN 0.361 nan 8.250 nan 0.000 0.463 107 P HA 0.184 nan 4.420 nan 0.000 0.278 107 P C -1.083 176.309 177.300 0.153 0.000 1.238 107 P CA -0.354 62.802 63.100 0.093 0.000 0.794 107 P CB 0.411 32.105 31.700 -0.009 0.000 0.955 108 F N -0.857 119.104 119.950 0.019 0.000 2.640 108 F HA 0.682 5.209 4.527 0.000 0.000 0.324 108 F C -0.906 174.895 175.800 0.002 0.000 1.077 108 F CA -1.665 56.351 58.000 0.027 0.000 0.965 108 F CB 0.823 39.850 39.000 0.045 0.000 1.351 108 F HN 0.196 nan 8.300 nan 0.000 0.487 109 D N 1.368 121.806 120.400 0.063 0.000 2.217 109 D HA 0.267 4.907 4.640 0.000 0.000 0.243 109 D C 0.846 177.198 176.300 0.087 0.000 1.054 109 D CA -0.611 53.353 54.000 -0.059 0.000 0.838 109 D CB 1.366 42.160 40.800 -0.010 0.000 1.162 109 D HN 0.537 nan 8.370 nan 0.000 0.472 110 M N 1.936 121.459 119.600 -0.129 0.000 2.149 110 M HA -0.120 4.360 4.480 0.000 0.000 0.261 110 M C 1.451 177.649 176.300 -0.169 0.000 1.064 110 M CA 1.539 56.688 55.300 -0.252 0.000 1.102 110 M CB -0.741 31.252 32.600 -1.012 0.000 1.369 110 M HN 0.668 nan 8.290 nan 0.000 0.408 111 E N -0.186 119.954 120.200 -0.102 0.000 2.106 111 E HA -0.194 4.156 4.350 0.000 0.000 0.192 111 E C 1.782 178.453 176.600 0.119 0.000 0.984 111 E CA 0.974 57.416 56.400 0.071 0.000 0.806 111 E CB -0.170 29.560 29.700 0.050 0.000 0.750 111 E HN 0.436 nan 8.360 nan 0.000 0.458 112 N N 1.113 119.888 118.700 0.124 0.000 2.142 112 N HA -0.160 4.580 4.740 0.000 0.000 0.186 112 N C 1.835 177.504 175.510 0.266 0.000 1.023 112 N CA 0.645 53.797 53.050 0.169 0.000 0.852 112 N CB -0.179 38.444 38.487 0.226 0.000 0.998 112 N HN 0.084 nan 8.380 nan 0.000 0.424 113 L N 0.727 122.129 121.223 0.297 0.000 1.989 113 L HA -0.033 4.307 4.340 0.000 0.000 0.211 113 L C 2.153 179.156 176.870 0.222 0.000 1.071 113 L CA 2.242 57.243 54.840 0.268 0.000 0.749 113 L CB -1.236 40.943 42.059 0.200 0.000 0.890 113 L HN 0.208 nan 8.230 nan 0.000 0.431 114 A N -1.408 121.558 122.820 0.244 0.000 1.940 114 A HA -0.323 3.997 4.320 0.000 0.000 0.219 114 A C 2.280 179.937 177.584 0.123 0.000 1.176 114 A CA 1.884 54.048 52.037 0.212 0.000 0.631 114 A CB -1.150 18.030 19.000 0.299 0.000 0.814 114 A HN 0.790 nan 8.150 nan 0.000 0.446 115 H N -0.961 118.106 119.070 -0.005 0.000 2.353 115 H HA -0.158 4.398 4.556 0.000 0.000 0.300 115 H C 1.984 177.202 175.328 -0.184 0.000 1.090 115 H CA 2.170 58.144 56.048 -0.124 0.000 1.327 115 H CB -0.233 29.401 29.762 -0.214 0.000 1.383 115 H HN 0.600 nan 8.280 nan 0.000 0.508 116 H N -0.202 118.830 119.070 -0.062 0.000 2.389 116 H HA -0.068 4.488 4.556 0.000 0.000 0.299 116 H C 2.575 177.817 175.328 -0.143 0.000 1.081 116 H CA 1.443 57.372 56.048 -0.198 0.000 1.345 116 H CB -0.040 29.670 29.762 -0.088 0.000 1.393 116 H HN 0.420 nan 8.280 nan 0.000 0.520 117 I N 0.741 121.343 120.570 0.054 0.000 2.163 117 I HA -0.294 3.877 4.170 0.000 0.000 0.243 117 I C 2.669 178.796 176.117 0.017 0.000 1.085 117 I CA 1.268 62.592 61.300 0.041 0.000 1.347 117 I CB -0.200 37.826 38.000 0.044 0.000 1.044 117 I HN 0.158 nan 8.210 nan 0.000 0.408 118 R N 0.216 120.698 120.500 -0.029 0.000 2.073 118 R HA -0.170 4.170 4.340 0.000 0.000 0.234 118 R C 2.383 178.671 176.300 -0.020 0.000 1.134 118 R CA 1.113 57.205 56.100 -0.013 0.000 0.952 118 R CB -0.318 29.957 30.300 -0.042 0.000 0.850 118 R HN 0.390 nan 8.270 nan 0.000 0.433 119 Q N 0.347 120.041 119.800 -0.177 0.000 2.084 119 Q HA -0.101 4.239 4.340 0.000 0.000 0.202 119 Q C 2.321 178.273 176.000 -0.079 0.000 0.978 119 Q CA 1.251 56.948 55.803 -0.176 0.000 0.844 119 Q CB -0.407 28.137 28.738 -0.323 0.000 0.898 119 Q HN 0.203 nan 8.270 nan 0.000 0.426 120 V N 0.487 120.371 119.914 -0.050 0.000 2.343 120 V HA -0.256 3.864 4.120 0.000 0.000 0.247 120 V C 2.095 178.215 176.094 0.043 0.000 1.051 120 V CA 1.834 64.132 62.300 -0.002 0.000 1.036 120 V CB -0.749 31.093 31.823 0.031 0.000 0.654 120 V HN 0.315 nan 8.190 nan 0.000 0.451 121 Y N 1.592 121.866 120.300 -0.043 0.000 2.163 121 Y HA 0.140 4.690 4.550 0.000 0.000 0.288 121 Y C 1.716 177.598 175.900 -0.030 0.000 1.136 121 Y CA 0.850 58.933 58.100 -0.029 0.000 1.147 121 Y CB -0.857 37.586 38.460 -0.028 0.000 0.987 121 Y HN 0.212 nan 8.280 nan 0.000 0.509 126 P HA 0.111 nan 4.420 nan 0.000 0.215 126 P C 0.169 177.466 177.300 -0.006 0.000 1.153 126 P CA 0.571 63.668 63.100 -0.005 0.000 0.853 126 P CB -0.020 31.680 31.700 -0.001 0.000 0.788 127 V N 1.551 121.461 119.914 -0.007 0.000 2.383 127 V HA 0.168 4.288 4.120 0.000 0.000 0.275 127 V C 0.797 176.885 176.094 -0.010 0.000 1.036 127 V CA -1.023 61.273 62.300 -0.007 0.000 0.889 127 V CB 1.230 33.049 31.823 -0.006 0.000 0.985 127 V HN -0.049 nan 8.190 nan 0.000 0.459 128 V N 0.000 119.908 119.914 -0.010 0.000 2.409 128 V HA 0.000 4.120 4.120 0.000 0.000 0.244 128 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 128 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 128 V HN 0.000 nan 8.190 nan 0.000 0.556