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 2z3q_1_C DATA FIRST_RESID -4 DATA SEQUENCE AMAISNWVNV ISDLKKIEDL IQSMHIDATL YTESDVHPSc KVTAMKcFLL DATA SEQUENCE ELQVISLESG DASIHDTVEN LIILANNSLS SNGNVTESGc KEcEELEEKN DATA SEQUENCE IKEFLQSFVH IVQMFIN 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 -4 A HA 0.000 nan 4.320 nan 0.000 0.244 -4 A C 0.000 177.581 177.584 -0.004 0.000 1.274 -4 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 -4 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 -3 M N 0.694 120.292 119.600 -0.003 0.000 2.228 -3 M HA 0.488 4.967 4.480 -0.000 0.000 0.326 -3 M C 0.520 176.818 176.300 -0.003 0.000 1.122 -3 M CA 0.245 55.544 55.300 -0.001 0.000 1.161 -3 M CB 1.012 33.612 32.600 0.000 0.000 1.437 -3 M HN 1.003 nan 8.290 nan 0.000 0.465 -2 A N 3.795 126.615 122.820 -0.001 0.000 2.276 -2 A HA 0.653 4.973 4.320 -0.000 0.000 0.300 -2 A C -0.553 177.032 177.584 0.002 0.000 1.235 -2 A CA -0.538 51.498 52.037 -0.003 0.000 0.867 -2 A CB -0.072 18.927 19.000 -0.001 0.000 1.137 -2 A HN 0.797 nan 8.150 nan 0.000 0.527 -1 I N 2.013 122.581 120.570 -0.002 0.000 2.441 -1 I HA 0.220 4.389 4.170 -0.000 0.000 0.295 -1 I C 0.895 177.013 176.117 0.002 0.000 0.994 -1 I CA -0.496 60.807 61.300 0.005 0.000 1.144 -1 I CB 2.016 40.016 38.000 0.000 0.000 1.314 -1 I HN 0.671 nan 8.210 nan 0.000 0.445 0 S N 4.464 120.180 115.700 0.028 0.000 2.558 0 S HA -0.013 4.457 4.470 -0.000 0.000 0.293 0 S C 1.244 175.837 174.600 -0.012 0.000 1.292 0 S CA -0.232 57.991 58.200 0.038 0.000 1.063 0 S CB 0.288 63.564 63.200 0.128 0.000 0.831 0 S HN 0.596 nan 8.310 nan 0.000 0.499 1 N N 3.883 122.507 118.700 -0.127 0.000 2.205 1 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 1 N C 1.191 176.589 175.510 -0.187 0.000 1.015 1 N CA 1.559 54.468 53.050 -0.234 0.000 0.862 1 N CB -0.397 37.816 38.487 -0.457 0.000 0.986 1 N HN 0.834 nan 8.380 nan 0.000 0.429 2 W N 0.659 121.955 121.300 -0.006 0.000 2.392 2 W HA -0.048 4.612 4.660 0.000 0.000 0.279 2 W C 2.057 178.560 176.519 -0.027 0.000 1.225 2 W CA -0.011 57.326 57.345 -0.013 0.000 1.233 2 W CB -0.371 29.110 29.460 0.035 0.000 1.122 2 W HN -0.159 nan 8.180 nan 0.000 0.561 3 V N 0.927 120.944 119.914 0.172 0.000 2.515 3 V HA -0.291 3.828 4.120 -0.000 0.000 0.250 3 V C 1.917 178.031 176.094 0.034 0.000 1.058 3 V CA 1.751 64.102 62.300 0.085 0.000 1.064 3 V CB -0.649 31.209 31.823 0.059 0.000 0.675 3 V HN 0.249 nan 8.190 nan 0.000 0.461 4 N N -0.139 118.565 118.700 0.006 0.000 2.333 4 N HA -0.046 4.694 4.740 -0.000 0.000 0.178 4 N C 1.815 177.297 175.510 -0.047 0.000 1.018 4 N CA 0.923 53.953 53.050 -0.032 0.000 0.882 4 N CB -0.019 38.435 38.487 -0.055 0.000 0.984 4 N HN 0.331 nan 8.380 nan 0.000 0.434 5 V N 2.120 122.014 119.914 -0.033 0.000 2.282 5 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 5 V C 2.282 178.319 176.094 -0.095 0.000 1.057 5 V CA 1.366 63.637 62.300 -0.048 0.000 1.032 5 V CB -0.421 31.449 31.823 0.078 0.000 0.645 5 V HN 0.211 nan 8.190 nan 0.000 0.447 6 I N 0.765 121.307 120.570 -0.046 0.000 2.286 6 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 6 I C 2.497 178.564 176.117 -0.083 0.000 1.115 6 I CA 1.798 63.048 61.300 -0.084 0.000 1.392 6 I CB -0.378 37.601 38.000 -0.035 0.000 1.065 6 I HN 0.419 nan 8.210 nan 0.000 0.418 7 S N -0.109 115.557 115.700 -0.057 0.000 2.406 7 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 7 S C 1.521 176.082 174.600 -0.066 0.000 1.020 7 S CA 0.843 59.011 58.200 -0.053 0.000 0.965 7 S CB -0.365 62.813 63.200 -0.036 0.000 0.798 7 S HN 0.369 nan 8.310 nan 0.000 0.488 8 D N 2.347 122.698 120.400 -0.082 0.000 2.097 8 D HA -0.009 4.631 4.640 -0.000 0.000 0.195 8 D C 1.943 178.174 176.300 -0.116 0.000 0.989 8 D CA 0.866 54.811 54.000 -0.092 0.000 0.827 8 D CB -0.550 40.190 40.800 -0.100 0.000 0.966 8 D HN 0.330 nan 8.370 nan 0.000 0.456 9 L N 0.691 121.806 121.223 -0.180 0.000 2.013 9 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 9 L C 2.374 179.178 176.870 -0.110 0.000 1.073 9 L CA 1.384 56.105 54.840 -0.198 0.000 0.753 9 L CB -0.411 41.458 42.059 -0.317 0.000 0.890 9 L HN 0.006 nan 8.230 nan 0.000 0.432 10 K N 0.163 120.508 120.400 -0.091 0.000 2.097 10 K HA -0.236 4.084 4.320 -0.000 0.000 0.206 10 K C 2.176 178.751 176.600 -0.041 0.000 1.049 10 K CA 1.506 57.758 56.287 -0.058 0.000 0.933 10 K CB -0.155 32.316 32.500 -0.049 0.000 0.717 10 K HN 0.245 nan 8.250 nan 0.000 0.442 11 K N 1.520 121.894 120.400 -0.043 0.000 2.057 11 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 11 K C 2.008 178.594 176.600 -0.023 0.000 1.050 11 K CA 0.973 57.242 56.287 -0.030 0.000 0.935 11 K CB -0.046 32.435 32.500 -0.032 0.000 0.715 11 K HN 0.009 nan 8.250 nan 0.000 0.439 12 I N 1.436 121.989 120.570 -0.027 0.000 2.208 12 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 12 I C 2.695 178.815 176.117 0.005 0.000 1.097 12 I CA 1.272 62.569 61.300 -0.006 0.000 1.363 12 I CB -0.305 37.696 38.000 0.002 0.000 1.051 12 I HN 0.358 nan 8.210 nan 0.000 0.413 13 E N 0.820 121.019 120.200 -0.001 0.000 2.110 13 E HA -0.287 4.063 4.350 -0.000 0.000 0.193 13 E C 1.610 178.211 176.600 0.002 0.000 0.988 13 E CA 1.764 58.170 56.400 0.009 0.000 0.804 13 E CB -0.046 29.653 29.700 -0.001 0.000 0.745 13 E HN 0.474 nan 8.360 nan 0.000 0.458 14 D N -0.184 120.212 120.400 -0.007 0.000 2.149 14 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 14 D C 2.230 178.525 176.300 -0.009 0.000 0.972 14 D CA 0.722 54.717 54.000 -0.008 0.000 0.835 14 D CB -0.048 40.745 40.800 -0.011 0.000 0.966 14 D HN 0.152 nan 8.370 nan 0.000 0.476 15 L N 0.674 121.892 121.223 -0.009 0.000 2.056 15 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 15 L C 2.397 179.257 176.870 -0.016 0.000 1.078 15 L CA 0.834 55.668 54.840 -0.011 0.000 0.749 15 L CB -0.583 41.472 42.059 -0.006 0.000 0.901 15 L HN 0.274 nan 8.230 nan 0.000 0.433 16 I N -3.416 117.149 120.570 -0.008 0.000 3.444 16 I HA -0.094 4.076 4.170 -0.000 0.000 0.287 16 I C 2.119 178.219 176.117 -0.029 0.000 1.302 16 I CA 0.294 61.585 61.300 -0.015 0.000 1.368 16 I CB -0.216 37.789 38.000 0.008 0.000 1.048 16 I HN 0.233 nan 8.210 nan 0.000 0.487 17 Q N 2.346 122.131 119.800 -0.024 0.000 2.002 17 Q HA -0.183 4.156 4.340 -0.000 0.000 0.204 17 Q C 2.568 178.530 176.000 -0.063 0.000 0.988 17 Q CA 2.618 58.407 55.803 -0.023 0.000 0.843 17 Q CB -0.780 27.950 28.738 -0.013 0.000 0.908 17 Q HN 0.779 nan 8.270 nan 0.000 0.420 18 S N -0.862 114.785 115.700 -0.087 0.000 2.555 18 S HA 0.030 4.500 4.470 -0.000 0.000 0.230 18 S C 1.209 175.615 174.600 -0.323 0.000 0.978 18 S CA 0.080 58.191 58.200 -0.149 0.000 0.934 18 S CB -0.111 63.033 63.200 -0.094 0.000 0.766 18 S HN 0.151 nan 8.310 nan 0.000 0.533 19 M N 1.023 120.463 119.600 -0.265 0.000 2.245 19 M HA 0.320 4.800 4.480 -0.000 0.000 0.292 19 M C -0.372 175.679 176.300 -0.416 0.000 1.176 19 M CA -0.193 54.927 55.300 -0.300 0.000 1.035 19 M CB 0.376 32.905 32.600 -0.119 0.000 1.440 19 M HN 0.198 nan 8.290 nan 0.000 0.494 20 H N 0.265 119.337 119.070 0.003 0.000 2.336 20 H HA 0.438 4.994 4.556 -0.000 0.000 0.230 20 H C -1.119 174.207 175.328 -0.003 0.000 1.426 20 H CA -0.318 55.731 56.048 0.001 0.000 1.359 20 H CB 0.127 29.889 29.762 -0.000 0.000 1.555 20 H HN 0.380 nan 8.280 nan 0.000 0.512 21 I N 2.414 123.031 120.570 0.078 0.000 2.371 21 I HA 0.028 4.198 4.170 -0.000 0.000 0.290 21 I C 0.283 176.421 176.117 0.035 0.000 1.028 21 I CA -0.021 61.303 61.300 0.040 0.000 1.345 21 I CB 0.841 38.850 38.000 0.015 0.000 1.407 21 I HN 0.554 nan 8.210 nan 0.000 0.501 22 D N 4.984 125.394 120.400 0.016 0.000 2.535 22 D HA 0.190 4.830 4.640 -0.000 0.000 0.229 22 D C 0.417 176.699 176.300 -0.029 0.000 1.238 22 D CA -0.379 53.623 54.000 0.003 0.000 0.824 22 D CB 0.163 40.967 40.800 0.007 0.000 1.045 22 D HN 0.400 nan 8.370 nan 0.000 0.500 23 A N 0.935 123.725 122.820 -0.050 0.000 2.555 23 A HA 0.450 4.770 4.320 -0.000 0.000 0.233 23 A C 0.774 178.290 177.584 -0.114 0.000 1.060 23 A CA 0.367 52.347 52.037 -0.095 0.000 0.759 23 A CB -0.093 18.832 19.000 -0.125 0.000 0.995 23 A HN 0.386 nan 8.150 nan 0.000 0.506 24 T N 0.428 114.894 114.554 -0.147 0.000 2.855 24 T HA 0.697 5.047 4.350 -0.000 0.000 0.281 24 T C -0.431 174.097 174.700 -0.286 0.000 1.007 24 T CA -0.637 61.368 62.100 -0.158 0.000 1.009 24 T CB 0.815 69.612 68.868 -0.118 0.000 0.983 24 T HN 0.480 nan 8.240 nan 0.000 0.455 25 L N 2.023 123.072 121.223 -0.290 0.000 2.401 25 L HA 0.454 4.794 4.340 -0.000 0.000 0.266 25 L C -0.887 175.835 176.870 -0.247 0.000 0.991 25 L CA -1.518 53.064 54.840 -0.431 0.000 0.818 25 L CB 1.844 43.476 42.059 -0.712 0.000 1.321 25 L HN 0.659 nan 8.230 nan 0.000 0.413 26 Y N 0.928 121.180 120.300 -0.080 0.000 2.650 26 Y HA 0.143 4.693 4.550 -0.000 0.000 0.331 26 Y C 0.536 176.402 175.900 -0.056 0.000 1.165 26 Y CA 0.054 58.120 58.100 -0.057 0.000 1.473 26 Y CB 0.083 38.489 38.460 -0.090 0.000 1.224 26 Y HN 0.351 nan 8.280 nan 0.000 0.533 27 T N 3.769 118.384 114.554 0.102 0.000 2.847 27 T HA 0.194 4.544 4.350 -0.000 0.000 0.291 27 T C -0.664 173.992 174.700 -0.074 0.000 0.998 27 T CA -0.864 61.224 62.100 -0.021 0.000 0.967 27 T CB 0.830 69.820 68.868 0.204 0.000 0.954 27 T HN 0.350 nan 8.240 nan 0.000 0.441 28 E N 1.769 121.821 120.200 -0.246 0.000 2.052 28 E HA 0.367 4.717 4.350 -0.000 0.000 0.283 28 E C 0.384 177.102 176.600 0.197 0.000 1.071 28 E CA -0.103 56.297 56.400 -0.000 0.000 0.851 28 E CB 0.341 30.040 29.700 -0.002 0.000 1.066 28 E HN 0.454 nan 8.360 nan 0.000 0.396 29 S N 3.053 118.844 115.700 0.151 0.000 2.511 29 S HA 0.083 4.553 4.470 -0.000 0.000 0.214 29 S C -0.402 174.264 174.600 0.111 0.000 0.997 29 S CA -0.127 58.172 58.200 0.164 0.000 0.908 29 S CB 0.267 63.552 63.200 0.143 0.000 0.803 29 S HN 0.471 nan 8.310 nan 0.000 0.504 30 D N 1.835 122.288 120.400 0.087 0.000 2.683 30 D HA 0.250 4.890 4.640 -0.000 0.000 0.309 30 D C -0.762 175.576 176.300 0.063 0.000 1.238 30 D CA -0.166 53.868 54.000 0.057 0.000 0.936 30 D CB 0.740 41.566 40.800 0.043 0.000 1.001 30 D HN -0.043 nan 8.370 nan 0.000 0.505 31 V N 1.822 121.780 119.914 0.072 0.000 2.479 31 V HA -0.125 3.995 4.120 -0.000 0.000 0.284 31 V C 0.778 176.916 176.094 0.072 0.000 0.981 31 V CA 0.185 62.537 62.300 0.086 0.000 1.139 31 V CB -0.860 31.011 31.823 0.081 0.000 0.947 31 V HN 0.538 nan 8.190 nan 0.000 0.468 32 H N 9.388 128.466 119.070 0.014 0.000 3.046 32 H HA 0.071 4.627 4.556 -0.000 0.000 0.303 32 H C -0.954 174.370 175.328 -0.006 0.000 1.002 32 H CA -1.133 54.916 56.048 0.001 0.000 1.460 32 H CB 1.044 30.807 29.762 0.000 0.000 1.493 32 H HN 0.439 nan 8.280 nan 0.000 0.559 33 P HA -0.236 nan 4.420 nan 0.000 0.219 33 P C 1.001 178.375 177.300 0.123 0.000 1.153 33 P CA 1.463 64.570 63.100 0.011 0.000 0.865 33 P CB 0.268 31.914 31.700 -0.089 0.000 0.788 34 S N -2.241 113.674 115.700 0.358 0.000 2.593 34 S HA 0.043 4.512 4.470 -0.000 0.000 0.217 34 S C 1.259 175.906 174.600 0.078 0.000 0.966 34 S CA 0.212 58.520 58.200 0.180 0.000 0.914 34 S CB -0.347 62.939 63.200 0.144 0.000 0.776 34 S HN 0.219 nan 8.310 nan 0.000 0.523 35 c N 1.352 120.016 118.600 0.108 0.000 3.115 35 c HA 0.244 4.814 4.570 -0.000 0.000 0.277 35 c C 1.942 176.090 174.090 0.098 0.000 1.460 35 c CA -0.976 55.384 56.329 0.052 0.000 1.789 35 c CB -0.709 41.798 42.510 -0.005 0.000 2.674 35 c HN 0.681 nan 8.230 nan 0.000 0.582 36 K N 0.760 121.226 120.400 0.111 0.000 2.217 36 K HA -0.015 4.305 4.320 -0.000 0.000 0.202 36 K C 1.367 178.160 176.600 0.322 0.000 1.051 36 K CA 1.420 57.812 56.287 0.175 0.000 0.952 36 K CB -0.149 32.388 32.500 0.061 0.000 0.736 36 K HN 0.286 nan 8.250 nan 0.000 0.453 37 V N 1.735 121.819 119.914 0.283 0.000 2.488 37 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 37 V C 2.083 178.272 176.094 0.158 0.000 1.046 37 V CA 2.084 64.565 62.300 0.302 0.000 1.053 37 V CB -0.454 31.518 31.823 0.248 0.000 0.679 37 V HN 0.484 nan 8.190 nan 0.000 0.458 38 T N 0.735 115.353 114.554 0.107 0.000 2.684 38 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 38 T C 2.081 176.809 174.700 0.047 0.000 1.036 38 T CA 1.834 63.966 62.100 0.054 0.000 1.148 38 T CB -0.442 68.437 68.868 0.018 0.000 0.863 38 T HN 0.567 nan 8.240 nan 0.000 0.436 39 A N 1.367 124.234 122.820 0.080 0.000 1.858 39 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 39 A C 2.275 179.942 177.584 0.138 0.000 1.190 39 A CA 2.055 54.138 52.037 0.076 0.000 0.617 39 A CB -0.795 18.299 19.000 0.157 0.000 0.827 39 A HN 0.410 nan 8.150 nan 0.000 0.443 40 M N 0.276 119.973 119.600 0.162 0.000 2.088 40 M HA -0.218 4.262 4.480 -0.000 0.000 0.256 40 M C 1.837 178.171 176.300 0.057 0.000 1.071 40 M CA 2.135 57.472 55.300 0.061 0.000 1.097 40 M CB -0.499 32.003 32.600 -0.163 0.000 1.315 40 M HN 0.393 nan 8.290 nan 0.000 0.406 41 K N -1.121 119.312 120.400 0.056 0.000 2.209 41 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 41 K C 2.034 178.654 176.600 0.032 0.000 1.048 41 K CA 1.421 57.740 56.287 0.054 0.000 0.940 41 K CB -0.468 32.062 32.500 0.049 0.000 0.729 41 K HN 0.470 nan 8.250 nan 0.000 0.451 42 c N 0.126 118.716 118.600 -0.016 0.000 2.446 42 c HA -0.053 4.517 4.570 -0.000 0.000 0.277 42 c C 2.306 176.357 174.090 -0.065 0.000 1.275 42 c CA 0.244 56.533 56.329 -0.066 0.000 1.727 42 c CB -0.927 41.489 42.510 -0.157 0.000 2.010 42 c HN 0.341 nan 8.230 nan 0.000 0.486 43 F N 1.470 121.316 119.950 -0.174 0.000 2.095 43 F HA -0.142 4.384 4.527 -0.000 0.000 0.298 43 F C 2.235 177.949 175.800 -0.143 0.000 1.104 43 F CA 1.563 59.301 58.000 -0.438 0.000 1.232 43 F CB -0.878 37.232 39.000 -1.484 0.000 0.987 43 F HN 0.146 nan 8.300 nan 0.000 0.475 44 L N -0.821 120.477 121.223 0.124 0.000 2.083 44 L HA -0.234 4.105 4.340 -0.000 0.000 0.209 44 L C 2.391 179.389 176.870 0.213 0.000 1.083 44 L CA 1.004 55.999 54.840 0.259 0.000 0.752 44 L CB -0.783 41.401 42.059 0.209 0.000 0.899 44 L HN 0.169 nan 8.230 nan 0.000 0.433 45 L N -0.663 120.647 121.223 0.146 0.000 1.994 45 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 45 L C 2.733 179.675 176.870 0.120 0.000 1.071 45 L CA 1.144 56.051 54.840 0.113 0.000 0.745 45 L CB -0.509 41.597 42.059 0.079 0.000 0.892 45 L HN 0.262 nan 8.230 nan 0.000 0.431 46 E N -0.070 120.217 120.200 0.146 0.000 2.204 46 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 46 E C 2.105 178.714 176.600 0.014 0.000 0.989 46 E CA 0.848 57.266 56.400 0.030 0.000 0.824 46 E CB -0.136 29.534 29.700 -0.049 0.000 0.756 46 E HN 0.292 nan 8.360 nan 0.000 0.477 47 L N 1.447 122.839 121.223 0.282 0.000 2.201 47 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 47 L C 2.115 179.076 176.870 0.153 0.000 1.105 47 L CA 1.442 56.477 54.840 0.324 0.000 0.775 47 L CB -0.206 42.172 42.059 0.533 0.000 0.913 47 L HN 0.039 nan 8.230 nan 0.000 0.440 48 Q N -1.397 118.474 119.800 0.118 0.000 2.226 48 Q HA -0.171 4.168 4.340 -0.000 0.000 0.204 48 Q C 2.163 178.191 176.000 0.047 0.000 0.975 48 Q CA 1.578 57.429 55.803 0.081 0.000 0.866 48 Q CB -0.262 28.521 28.738 0.074 0.000 0.915 48 Q HN 0.460 nan 8.270 nan 0.000 0.440 49 V N 1.162 121.078 119.914 0.002 0.000 2.358 49 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 49 V C 2.151 178.226 176.094 -0.031 0.000 1.047 49 V CA 1.393 63.672 62.300 -0.036 0.000 1.035 49 V CB -0.422 31.340 31.823 -0.102 0.000 0.658 49 V HN 0.339 nan 8.190 nan 0.000 0.452 50 I N 0.096 120.647 120.570 -0.032 0.000 2.226 50 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 50 I C 2.738 178.874 176.117 0.032 0.000 1.100 50 I CA 1.897 63.195 61.300 -0.004 0.000 1.374 50 I CB -0.548 37.470 38.000 0.030 0.000 1.057 50 I HN 0.373 nan 8.210 nan 0.000 0.413 51 S N 1.172 116.908 115.700 0.060 0.000 2.359 51 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 51 S C 2.081 176.731 174.600 0.084 0.000 1.035 51 S CA 1.428 59.686 58.200 0.096 0.000 1.018 51 S CB -0.313 62.971 63.200 0.140 0.000 0.876 51 S HN 0.290 nan 8.310 nan 0.000 0.448 52 L N 1.243 122.504 121.223 0.063 0.000 2.027 52 L HA -0.022 4.318 4.340 -0.000 0.000 0.206 52 L C 2.751 179.630 176.870 0.015 0.000 1.074 52 L CA 1.672 56.534 54.840 0.037 0.000 0.745 52 L CB -0.451 41.623 42.059 0.024 0.000 0.898 52 L HN 0.376 nan 8.230 nan 0.000 0.433 53 E N -0.816 119.388 120.200 0.006 0.000 2.204 53 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 53 E C 2.282 178.884 176.600 0.004 0.000 0.989 53 E CA 1.289 57.688 56.400 -0.002 0.000 0.824 53 E CB -0.064 29.627 29.700 -0.015 0.000 0.756 53 E HN 0.572 nan 8.360 nan 0.000 0.477 54 S N 0.087 115.794 115.700 0.012 0.000 2.368 54 S HA -0.050 4.420 4.470 -0.000 0.000 0.224 54 S C 1.880 176.485 174.600 0.008 0.000 1.029 54 S CA 0.890 59.098 58.200 0.012 0.000 0.988 54 S CB -0.445 62.770 63.200 0.024 0.000 0.838 54 S HN 0.338 nan 8.310 nan 0.000 0.462 55 G N 1.307 110.113 108.800 0.010 0.000 2.258 55 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.274 55 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.274 55 G C -0.320 174.578 174.900 -0.004 0.000 1.021 55 G CA 0.573 45.669 45.100 -0.006 0.000 0.798 55 G HN 0.823 nan 8.290 nan 0.000 0.507 56 D N -1.110 119.300 120.400 0.016 0.000 2.278 56 D HA 0.739 5.379 4.640 -0.000 0.000 0.245 56 D C 1.306 177.634 176.300 0.047 0.000 1.052 56 D CA 0.371 54.383 54.000 0.019 0.000 0.834 56 D CB 1.007 41.817 40.800 0.017 0.000 1.194 56 D HN 0.274 nan 8.370 nan 0.000 0.481 57 A N 2.858 125.698 122.820 0.033 0.000 1.908 57 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 57 A C 2.089 179.726 177.584 0.088 0.000 1.181 57 A CA 1.949 54.019 52.037 0.055 0.000 0.627 57 A CB -0.767 18.248 19.000 0.025 0.000 0.818 57 A HN 0.541 nan 8.150 nan 0.000 0.445 58 S N -0.533 115.198 115.700 0.051 0.000 2.357 58 S HA -0.070 4.400 4.470 -0.000 0.000 0.221 58 S C 1.951 176.574 174.600 0.038 0.000 1.031 58 S CA 1.128 59.351 58.200 0.038 0.000 0.982 58 S CB -0.552 62.658 63.200 0.017 0.000 0.853 58 S HN 0.455 nan 8.310 nan 0.000 0.458 59 I N 1.130 121.725 120.570 0.042 0.000 2.151 59 I HA -0.231 3.938 4.170 -0.000 0.000 0.243 59 I C 2.539 178.694 176.117 0.063 0.000 1.080 59 I CA 2.020 63.346 61.300 0.043 0.000 1.339 59 I CB -0.612 37.414 38.000 0.044 0.000 1.039 59 I HN 0.494 nan 8.210 nan 0.000 0.409 60 H N 1.141 120.216 119.070 0.007 0.000 2.352 60 H HA -0.217 4.338 4.556 -0.000 0.000 0.299 60 H C 1.793 177.127 175.328 0.009 0.000 1.097 60 H CA 2.200 58.254 56.048 0.010 0.000 1.311 60 H CB -0.114 29.652 29.762 0.007 0.000 1.377 60 H HN 0.256 nan 8.280 nan 0.000 0.504 61 D N -0.898 119.497 120.400 -0.008 0.000 2.117 61 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 61 D C 2.106 178.353 176.300 -0.088 0.000 0.982 61 D CA 1.724 55.688 54.000 -0.059 0.000 0.828 61 D CB -0.496 40.316 40.800 0.020 0.000 0.967 61 D HN 0.444 nan 8.370 nan 0.000 0.464 62 T N 0.448 114.969 114.554 -0.055 0.000 2.737 62 T HA -0.080 4.270 4.350 -0.000 0.000 0.265 62 T C 2.293 176.951 174.700 -0.069 0.000 1.038 62 T CA 0.758 62.826 62.100 -0.054 0.000 1.144 62 T CB -0.419 68.429 68.868 -0.034 0.000 0.866 62 T HN -0.055 nan 8.240 nan 0.000 0.434 63 V N 1.520 121.394 119.914 -0.067 0.000 2.250 63 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 63 V C 2.530 178.570 176.094 -0.090 0.000 1.060 63 V CA 2.192 64.460 62.300 -0.053 0.000 1.030 63 V CB -0.614 31.192 31.823 -0.027 0.000 0.643 63 V HN 0.546 nan 8.190 nan 0.000 0.445 64 E N 0.027 120.114 120.200 -0.189 0.000 2.051 64 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 64 E C 2.278 178.818 176.600 -0.100 0.000 0.991 64 E CA 1.473 57.769 56.400 -0.173 0.000 0.799 64 E CB -0.275 29.274 29.700 -0.251 0.000 0.748 64 E HN 0.671 nan 8.360 nan 0.000 0.449 65 N N 0.560 119.203 118.700 -0.094 0.000 2.069 65 N HA -0.207 4.533 4.740 -0.000 0.000 0.191 65 N C 2.244 177.709 175.510 -0.075 0.000 1.031 65 N CA 1.110 54.114 53.050 -0.076 0.000 0.852 65 N CB -0.161 38.285 38.487 -0.068 0.000 1.018 65 N HN 0.251 nan 8.380 nan 0.000 0.423 66 L N 0.971 122.153 121.223 -0.069 0.000 2.012 66 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 66 L C 2.335 179.181 176.870 -0.040 0.000 1.073 66 L CA 1.193 55.994 54.840 -0.065 0.000 0.748 66 L CB -0.242 41.779 42.059 -0.063 0.000 0.891 66 L HN 0.202 nan 8.230 nan 0.000 0.431 67 I N -0.344 120.222 120.570 -0.008 0.000 2.286 67 I HA -0.328 3.842 4.170 -0.000 0.000 0.248 67 I C 2.319 178.416 176.117 -0.032 0.000 1.115 67 I CA 1.384 62.695 61.300 0.019 0.000 1.392 67 I CB -0.151 37.872 38.000 0.038 0.000 1.065 67 I HN 0.258 nan 8.210 nan 0.000 0.418 68 I N 0.240 120.778 120.570 -0.054 0.000 2.179 68 I HA -0.303 3.866 4.170 -0.000 0.000 0.242 68 I C 2.406 178.455 176.117 -0.114 0.000 1.088 68 I CA 1.412 62.671 61.300 -0.068 0.000 1.357 68 I CB -0.332 37.632 38.000 -0.061 0.000 1.051 68 I HN 0.160 nan 8.210 nan 0.000 0.409 69 L N 0.525 121.662 121.223 -0.144 0.000 1.970 69 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 69 L C 2.903 179.545 176.870 -0.380 0.000 1.071 69 L CA 1.688 56.388 54.840 -0.234 0.000 0.751 69 L CB -0.874 41.048 42.059 -0.228 0.000 0.889 69 L HN 0.267 nan 8.230 nan 0.000 0.432 70 A N 0.198 122.800 122.820 -0.365 0.000 1.873 70 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 70 A C 2.078 179.494 177.584 -0.279 0.000 1.193 70 A CA 2.362 54.120 52.037 -0.465 0.000 0.629 70 A CB -0.770 18.207 19.000 -0.039 0.000 0.826 70 A HN 0.494 nan 8.150 nan 0.000 0.447 71 N N -0.025 118.599 118.700 -0.126 0.000 2.166 71 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 71 N C 1.609 177.070 175.510 -0.083 0.000 1.019 71 N CA 1.536 54.549 53.050 -0.061 0.000 0.856 71 N CB -0.724 37.746 38.487 -0.028 0.000 0.993 71 N HN 0.715 nan 8.380 nan 0.000 0.426 72 N N 0.664 119.284 118.700 -0.133 0.000 2.069 72 N HA -0.090 4.650 4.740 -0.000 0.000 0.191 72 N C 1.433 176.867 175.510 -0.128 0.000 1.031 72 N CA 1.710 54.688 53.050 -0.120 0.000 0.852 72 N CB -0.160 38.244 38.487 -0.137 0.000 1.018 72 N HN 0.010 nan 8.380 nan 0.000 0.423 73 S N -0.106 115.447 115.700 -0.246 0.000 2.368 73 S HA 0.030 4.500 4.470 -0.000 0.000 0.224 73 S C 1.926 176.562 174.600 0.061 0.000 1.029 73 S CA 0.688 58.779 58.200 -0.182 0.000 0.988 73 S CB -0.292 62.555 63.200 -0.589 0.000 0.838 73 S HN 0.308 nan 8.310 nan 0.000 0.462 74 L N 1.792 123.064 121.223 0.082 0.000 2.093 74 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 74 L C 2.545 179.488 176.870 0.123 0.000 1.085 74 L CA 1.367 56.319 54.840 0.187 0.000 0.755 74 L CB -0.593 41.562 42.059 0.161 0.000 0.904 74 L HN 0.427 nan 8.230 nan 0.000 0.435 75 S N -2.527 113.209 115.700 0.061 0.000 2.527 75 S HA -0.017 4.453 4.470 -0.000 0.000 0.222 75 S C 1.625 176.253 174.600 0.048 0.000 0.985 75 S CA 0.300 58.529 58.200 0.048 0.000 0.921 75 S CB 0.013 63.226 63.200 0.023 0.000 0.772 75 S HN 0.202 nan 8.310 nan 0.000 0.529 76 S N 2.713 118.445 115.700 0.053 0.000 2.786 76 S HA 0.176 4.646 4.470 -0.000 0.000 0.223 76 S C -0.141 174.500 174.600 0.069 0.000 0.956 76 S CA -0.266 57.964 58.200 0.051 0.000 0.961 76 S CB -0.663 62.562 63.200 0.041 0.000 0.784 76 S HN 0.896 nan 8.310 nan 0.000 0.519 77 N N -0.828 117.920 118.700 0.080 0.000 2.242 77 N HA 0.489 5.229 4.740 -0.000 0.000 0.292 77 N C -0.095 175.452 175.510 0.061 0.000 1.125 77 N CA -0.909 52.185 53.050 0.073 0.000 0.783 77 N CB 0.658 39.199 38.487 0.090 0.000 1.558 77 N HN -0.079 nan 8.380 nan 0.000 0.472 78 G N 0.711 109.540 108.800 0.048 0.000 2.991 78 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.262 78 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.262 78 G C -0.109 174.814 174.900 0.037 0.000 0.765 78 G CA -0.342 44.781 45.100 0.038 0.000 2.051 78 G HN 0.708 nan 8.290 nan 0.000 0.602 79 N N -0.774 117.952 118.700 0.043 0.000 2.686 79 N HA -0.162 4.578 4.740 -0.000 0.000 0.261 79 N C 0.401 175.932 175.510 0.036 0.000 1.001 79 N CA 0.591 53.665 53.050 0.039 0.000 0.764 79 N CB -0.793 37.712 38.487 0.030 0.000 0.898 79 N HN 0.259 nan 8.380 nan 0.000 0.544 80 V N 1.019 120.958 119.914 0.043 0.000 2.572 80 V HA 0.158 4.278 4.120 -0.000 0.000 0.291 80 V C 1.009 177.125 176.094 0.038 0.000 1.039 80 V CA 0.092 62.415 62.300 0.037 0.000 1.055 80 V CB 1.235 33.082 31.823 0.040 0.000 0.969 80 V HN 0.472 nan 8.190 nan 0.000 0.482 81 T N 2.232 116.802 114.554 0.027 0.000 2.791 81 T HA 0.548 4.898 4.350 -0.000 0.000 0.288 81 T C -0.507 174.202 174.700 0.015 0.000 0.999 81 T CA -0.882 61.232 62.100 0.023 0.000 0.952 81 T CB 1.015 69.894 68.868 0.017 0.000 0.938 81 T HN 0.682 nan 8.240 nan 0.000 0.444 82 E N 2.137 122.346 120.200 0.016 0.000 2.354 82 E HA 0.550 4.900 4.350 -0.000 0.000 0.269 82 E C -0.455 176.136 176.600 -0.014 0.000 1.036 82 E CA -0.723 55.676 56.400 -0.000 0.000 0.876 82 E CB 0.887 30.589 29.700 0.004 0.000 1.009 82 E HN 0.581 nan 8.360 nan 0.000 0.416 83 S N 0.488 116.170 115.700 -0.031 0.000 2.536 83 S HA 0.588 5.058 4.470 -0.000 0.000 0.271 83 S C 0.343 174.910 174.600 -0.056 0.000 1.134 83 S CA -0.279 57.899 58.200 -0.035 0.000 0.897 83 S CB 1.875 65.061 63.200 -0.023 0.000 1.094 83 S HN 0.865 nan 8.310 nan 0.000 0.473 84 G N 0.544 109.309 108.800 -0.058 0.000 2.157 84 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.239 84 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.239 84 G C 0.306 175.146 174.900 -0.101 0.000 0.982 84 G CA -0.093 44.964 45.100 -0.071 0.000 0.650 84 G HN 0.819 nan 8.290 nan 0.000 0.527 85 c N 0.606 119.146 118.600 -0.100 0.000 2.580 85 c HA 0.549 5.119 4.570 -0.000 0.000 0.371 85 c C 1.303 175.343 174.090 -0.082 0.000 1.308 85 c CA -0.362 55.900 56.329 -0.112 0.000 2.428 85 c CB 0.779 43.238 42.510 -0.085 0.000 2.529 85 c HN 0.537 nan 8.230 nan 0.000 0.657 86 K N 1.557 121.910 120.400 -0.078 0.000 2.326 86 K HA 0.127 4.447 4.320 -0.000 0.000 0.275 86 K C 0.461 177.010 176.600 -0.085 0.000 1.018 86 K CA 0.089 56.331 56.287 -0.074 0.000 0.962 86 K CB 0.388 32.848 32.500 -0.067 0.000 0.953 86 K HN 0.571 nan 8.250 nan 0.000 0.475 87 E N 0.959 121.099 120.200 -0.099 0.000 2.408 87 E HA -0.056 4.294 4.350 -0.000 0.000 0.259 87 E C 0.986 177.475 176.600 -0.184 0.000 1.110 87 E CA -0.057 56.269 56.400 -0.122 0.000 0.929 87 E CB 0.649 30.274 29.700 -0.124 0.000 0.971 87 E HN 0.684 nan 8.360 nan 0.000 0.438 88 c N 1.180 119.650 118.600 -0.217 0.000 2.413 88 c HA -0.141 4.429 4.570 -0.000 0.000 0.277 88 c C 1.892 175.566 174.090 -0.692 0.000 1.265 88 c CA 0.639 56.775 56.329 -0.321 0.000 1.752 88 c CB -0.769 41.600 42.510 -0.235 0.000 1.998 88 c HN 0.727 nan 8.230 nan 0.000 0.489 89 E N 0.722 120.491 120.200 -0.720 0.000 2.516 89 E HA -0.073 4.277 4.350 -0.000 0.000 0.199 89 E C 1.699 177.987 176.600 -0.520 0.000 1.069 89 E CA 0.439 56.242 56.400 -0.994 0.000 0.876 89 E CB -0.328 29.083 29.700 -0.482 0.000 0.843 89 E HN 0.666 nan 8.360 nan 0.000 0.530 90 E N -0.096 119.899 120.200 -0.342 0.000 2.447 90 E HA 0.079 4.429 4.350 -0.000 0.000 0.195 90 E C 0.121 176.661 176.600 -0.102 0.000 1.028 90 E CA -0.112 56.191 56.400 -0.161 0.000 0.876 90 E CB 0.304 29.936 29.700 -0.114 0.000 0.885 90 E HN 0.235 nan 8.360 nan 0.000 0.500 91 L N 1.821 122.963 121.223 -0.134 0.000 2.452 91 L HA 0.103 4.442 4.340 -0.000 0.000 0.267 91 L C 0.778 177.723 176.870 0.125 0.000 1.188 91 L CA -0.179 54.659 54.840 -0.003 0.000 0.821 91 L CB 0.385 42.439 42.059 -0.008 0.000 1.102 91 L HN 0.050 nan 8.230 nan 0.000 0.470 92 E N 1.584 121.845 120.200 0.101 0.000 2.442 92 E HA -0.011 4.339 4.350 -0.000 0.000 0.262 92 E C -0.758 175.927 176.600 0.143 0.000 1.004 92 E CA -0.048 56.419 56.400 0.111 0.000 0.928 92 E CB 0.562 30.309 29.700 0.079 0.000 0.937 92 E HN 0.445 nan 8.360 nan 0.000 0.446 93 E N 3.647 123.906 120.200 0.098 0.000 2.216 93 E HA 0.331 4.681 4.350 -0.000 0.000 0.279 93 E C -0.616 175.995 176.600 0.019 0.000 0.997 93 E CA -0.426 55.980 56.400 0.010 0.000 0.817 93 E CB 1.745 31.377 29.700 -0.114 0.000 1.096 93 E HN 0.282 nan 8.360 nan 0.000 0.393 94 K N 1.449 121.868 120.400 0.032 0.000 2.433 94 K HA 0.239 4.559 4.320 -0.000 0.000 0.252 94 K C -0.466 176.167 176.600 0.055 0.000 1.015 94 K CA -1.035 55.294 56.287 0.070 0.000 0.860 94 K CB 1.333 33.914 32.500 0.135 0.000 1.359 94 K HN 0.513 nan 8.250 nan 0.000 0.452 95 N N 0.240 118.979 118.700 0.066 0.000 2.347 95 N HA 0.043 4.783 4.740 -0.000 0.000 0.253 95 N C 0.908 176.482 175.510 0.107 0.000 1.274 95 N CA -0.299 52.783 53.050 0.053 0.000 0.941 95 N CB 0.287 38.802 38.487 0.046 0.000 1.200 95 N HN 0.369 nan 8.380 nan 0.000 0.514 96 I N -0.537 120.084 120.570 0.085 0.000 2.208 96 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 96 I C 2.087 178.326 176.117 0.204 0.000 1.097 96 I CA 1.424 62.810 61.300 0.143 0.000 1.363 96 I CB -1.146 36.904 38.000 0.083 0.000 1.051 96 I HN 0.621 nan 8.210 nan 0.000 0.413 97 K N 0.878 121.358 120.400 0.133 0.000 2.015 97 K HA -0.226 4.094 4.320 -0.000 0.000 0.216 97 K C 1.983 178.657 176.600 0.123 0.000 1.052 97 K CA 1.844 58.197 56.287 0.109 0.000 0.937 97 K CB -0.164 32.382 32.500 0.076 0.000 0.719 97 K HN 0.472 nan 8.250 nan 0.000 0.446 98 E N -0.345 119.939 120.200 0.139 0.000 2.106 98 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 98 E C 1.953 178.683 176.600 0.217 0.000 0.984 98 E CA 0.860 57.349 56.400 0.148 0.000 0.806 98 E CB -0.271 29.513 29.700 0.140 0.000 0.750 98 E HN 0.246 nan 8.360 nan 0.000 0.458 99 F N 1.925 121.961 119.950 0.143 0.000 2.065 99 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 99 F C 2.055 178.034 175.800 0.299 0.000 1.112 99 F CA 1.515 59.661 58.000 0.244 0.000 1.212 99 F CB -0.251 38.864 39.000 0.192 0.000 0.975 99 F HN -0.107 nan 8.300 nan 0.000 0.476 100 L N -0.252 121.127 121.223 0.260 0.000 2.093 100 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 100 L C 2.488 179.316 176.870 -0.070 0.000 1.085 100 L CA 1.404 56.301 54.840 0.095 0.000 0.755 100 L CB -0.773 41.367 42.059 0.135 0.000 0.904 100 L HN 0.242 nan 8.230 nan 0.000 0.435 101 Q N -0.015 119.745 119.800 -0.066 0.000 2.084 101 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 101 Q C 2.279 178.050 176.000 -0.380 0.000 0.978 101 Q CA 2.042 57.706 55.803 -0.232 0.000 0.844 101 Q CB -0.106 28.544 28.738 -0.147 0.000 0.898 101 Q HN 0.311 nan 8.270 nan 0.000 0.426 102 S N -0.477 115.139 115.700 -0.139 0.000 2.406 102 S HA -0.023 4.447 4.470 -0.000 0.000 0.228 102 S C 1.494 175.865 174.600 -0.381 0.000 1.020 102 S CA 0.699 58.866 58.200 -0.055 0.000 0.965 102 S CB -0.398 62.937 63.200 0.225 0.000 0.798 102 S HN 0.501 nan 8.310 nan 0.000 0.488 103 F N 1.776 121.212 119.950 -0.858 0.000 2.084 103 F HA -0.172 4.355 4.527 -0.000 0.000 0.296 103 F C 2.253 177.660 175.800 -0.655 0.000 1.111 103 F CA 0.792 58.025 58.000 -1.277 0.000 1.224 103 F CB -0.137 38.287 39.000 -0.959 0.000 0.991 103 F HN -0.038 nan 8.300 nan 0.000 0.471 104 V N 0.518 120.290 119.914 -0.236 0.000 2.252 104 V HA -0.416 3.704 4.120 -0.000 0.000 0.249 104 V C 2.047 178.079 176.094 -0.103 0.000 1.056 104 V CA 2.563 64.739 62.300 -0.208 0.000 1.022 104 V CB -1.127 30.554 31.823 -0.237 0.000 0.641 104 V HN 0.455 nan 8.190 nan 0.000 0.445 105 H N -0.974 118.033 119.070 -0.104 0.000 2.289 105 H HA -0.240 4.316 4.556 -0.000 0.000 0.294 105 H C 2.361 177.638 175.328 -0.085 0.000 1.095 105 H CA 2.061 58.062 56.048 -0.078 0.000 1.256 105 H CB -0.053 29.677 29.762 -0.053 0.000 1.359 105 H HN 0.361 nan 8.280 nan 0.000 0.487 106 I N 0.453 121.018 120.570 -0.008 0.000 2.226 106 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 106 I C 1.989 178.102 176.117 -0.007 0.000 1.100 106 I CA 0.878 62.165 61.300 -0.021 0.000 1.374 106 I CB -0.045 37.905 38.000 -0.084 0.000 1.057 106 I HN 0.084 nan 8.210 nan 0.000 0.413 107 V N 1.024 120.884 119.914 -0.090 0.000 2.287 107 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 107 V C 2.379 178.413 176.094 -0.101 0.000 1.053 107 V CA 2.039 64.237 62.300 -0.171 0.000 1.027 107 V CB -0.888 30.905 31.823 -0.050 0.000 0.646 107 V HN 0.519 nan 8.190 nan 0.000 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