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 1wgc_1_A DATA FIRST_RESID 2 DATA SEQUENCE RcGEQGSNME cPNNLccSQY GYcGMGGDYc GKGcQNGAcW TSKRcGSQAG DATA SEQUENCE GATcTNNQcc SQYGYcGFGA EYcGAGcQGG PcRADIKcGS QAGGKLcPNN DATA SEQUENCE LccSQWGFcG LGSEFcGGGc QSGAcSTDKP cGKDAGGRVc TNNYccSKWG DATA SEQUENCE ScGIGPGYcG AGcQSGGcDG 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.234 176.300 -0.111 0.000 0.893 2 R CA 0.000 56.012 56.100 -0.147 0.000 0.921 2 R CB 0.000 30.199 30.300 -0.168 0.000 0.687 3 c N 1.024 119.548 118.600 -0.127 0.000 2.451 3 c HA 1.013 5.639 4.570 0.093 0.000 0.391 3 c C 1.430 175.475 174.090 -0.074 0.000 1.286 3 c CA 0.399 56.682 56.329 -0.076 0.000 1.935 3 c CB 0.642 43.124 42.510 -0.048 0.000 2.188 3 c HN 1.302 nan 8.230 nan 0.000 0.523 4 G N 0.934 109.703 108.800 -0.050 0.000 2.582 4 G HA2 -0.359 3.657 3.960 0.093 0.000 0.288 4 G HA3 -0.359 3.657 3.960 0.093 0.000 0.288 4 G C 0.669 175.542 174.900 -0.045 0.000 1.247 4 G CA 1.531 46.603 45.100 -0.045 0.000 0.972 4 G HN 1.646 nan 8.290 nan 0.000 0.557 5 E N -0.087 120.088 120.200 -0.041 0.000 2.209 5 E HA -0.119 4.286 4.350 0.093 0.000 0.196 5 E C 2.013 178.591 176.600 -0.036 0.000 0.993 5 E CA 2.176 58.556 56.400 -0.033 0.000 0.819 5 E CB -0.188 29.497 29.700 -0.026 0.000 0.745 5 E HN 0.596 nan 8.360 nan 0.000 0.477 6 Q N -0.273 119.496 119.800 -0.053 0.000 2.222 6 Q HA 0.322 4.717 4.340 0.093 0.000 0.206 6 Q C 0.499 176.453 176.000 -0.077 0.000 0.877 6 Q CA 0.566 56.330 55.803 -0.065 0.000 0.958 6 Q CB 1.342 30.021 28.738 -0.099 0.000 1.075 6 Q HN 0.325 nan 8.270 nan 0.000 0.483 7 G N -0.444 108.319 108.800 -0.062 0.000 5.129 7 G HA2 0.167 4.183 3.960 0.093 0.000 0.253 7 G HA3 0.167 4.183 3.960 0.093 0.000 0.253 7 G C -0.163 174.716 174.900 -0.035 0.000 0.912 7 G CA -0.214 44.853 45.100 -0.054 0.000 0.729 7 G HN 0.158 nan 8.290 nan 0.000 0.373 8 S N -0.018 115.663 115.700 -0.031 0.000 3.549 8 S HA -0.321 4.205 4.470 0.093 0.000 0.366 8 S C 0.698 175.285 174.600 -0.022 0.000 1.012 8 S CA 1.198 59.385 58.200 -0.022 0.000 1.141 8 S CB -2.495 60.694 63.200 -0.017 0.000 0.910 8 S HN 1.227 nan 8.310 nan 0.000 0.471 9 N N -2.658 116.027 118.700 -0.026 0.000 2.850 9 N HA -0.193 4.603 4.740 0.093 0.000 0.249 9 N C 0.070 175.567 175.510 -0.022 0.000 1.060 9 N CA 0.938 53.974 53.050 -0.024 0.000 0.825 9 N CB -0.984 37.492 38.487 -0.018 0.000 1.132 9 N HN 0.572 nan 8.380 nan 0.000 0.564 10 M N 1.316 120.902 119.600 -0.024 0.000 2.231 10 M HA 0.070 4.606 4.480 0.093 0.000 0.299 10 M C 0.368 176.656 176.300 -0.019 0.000 1.076 10 M CA 1.263 56.551 55.300 -0.020 0.000 1.152 10 M CB 0.349 32.935 32.600 -0.022 0.000 1.414 10 M HN 0.018 nan 8.290 nan 0.000 0.439 11 E N 0.339 120.531 120.200 -0.013 0.000 2.248 11 E HA 0.345 4.751 4.350 0.093 0.000 0.267 11 E C -1.066 175.529 176.600 -0.008 0.000 0.877 11 E CA -0.881 55.513 56.400 -0.010 0.000 0.759 11 E CB 1.312 31.010 29.700 -0.003 0.000 1.182 11 E HN 0.653 nan 8.360 nan 0.000 0.418 12 c N 3.116 121.709 118.600 -0.011 0.000 2.745 12 c HA 0.257 4.882 4.570 0.093 0.000 0.387 12 c C -1.734 172.353 174.090 -0.006 0.000 1.312 12 c CA -0.840 55.480 56.329 -0.015 0.000 2.204 12 c CB -0.952 41.541 42.510 -0.028 0.000 2.686 12 c HN 0.587 nan 8.230 nan 0.000 0.705 13 P HA 0.335 nan 4.420 nan 0.000 0.287 13 P C -0.707 176.594 177.300 0.001 0.000 1.279 13 P CA -0.511 62.589 63.100 -0.000 0.000 0.867 13 P CB 0.230 31.928 31.700 -0.003 0.000 1.127 14 N N 1.071 119.777 118.700 0.010 0.000 2.754 14 N HA -0.211 4.584 4.740 0.093 0.000 0.248 14 N C -0.269 175.257 175.510 0.028 0.000 1.093 14 N CA 0.249 53.308 53.050 0.014 0.000 0.699 14 N CB -1.624 36.865 38.487 0.004 0.000 1.016 14 N HN 0.495 nan 8.380 nan 0.000 0.552 15 N N -2.058 116.667 118.700 0.041 0.000 2.713 15 N HA -0.201 4.595 4.740 0.093 0.000 0.251 15 N C -0.348 175.175 175.510 0.022 0.000 1.117 15 N CA 0.890 53.971 53.050 0.052 0.000 0.770 15 N CB -0.700 37.843 38.487 0.093 0.000 1.137 15 N HN 0.350 nan 8.380 nan 0.000 0.566 16 L N 0.773 121.993 121.223 -0.005 0.000 2.506 16 L HA -0.030 4.366 4.340 0.093 0.000 0.281 16 L C 0.827 177.674 176.870 -0.039 0.000 1.228 16 L CA 0.514 55.328 54.840 -0.043 0.000 0.850 16 L CB 0.366 42.378 42.059 -0.078 0.000 1.110 16 L HN 0.205 nan 8.230 nan 0.000 0.496 17 c N 2.365 120.931 118.600 -0.057 0.000 2.401 17 c HA 0.315 4.941 4.570 0.093 0.000 0.365 17 c C 0.349 174.439 174.090 -0.000 0.000 1.250 17 c CA -1.177 55.135 56.329 -0.028 0.000 2.131 17 c CB 0.548 43.039 42.510 -0.031 0.000 2.445 17 c HN 0.855 nan 8.230 nan 0.000 0.550 18 c N 4.618 123.228 118.600 0.017 0.000 2.239 18 c HA 0.558 5.184 4.570 0.093 0.000 0.325 18 c C 0.963 175.080 174.090 0.045 0.000 1.231 18 c CA -0.261 56.095 56.329 0.044 0.000 1.652 18 c CB -1.221 41.287 42.510 -0.004 0.000 2.284 18 c HN 1.073 nan 8.230 nan 0.000 0.499 19 S N 4.401 120.184 115.700 0.138 0.000 2.596 19 S HA 0.085 4.611 4.470 0.093 0.000 0.260 19 S C 1.156 175.685 174.600 -0.119 0.000 1.336 19 S CA 0.226 58.428 58.200 0.004 0.000 0.993 19 S CB 0.609 63.831 63.200 0.037 0.000 0.923 19 S HN 0.873 nan 8.310 nan 0.000 0.567 20 Q N 0.051 119.648 119.800 -0.337 0.000 2.291 20 Q HA -0.131 4.265 4.340 0.093 0.000 0.206 20 Q C 1.289 177.092 176.000 -0.329 0.000 0.976 20 Q CA 1.653 57.215 55.803 -0.403 0.000 0.875 20 Q CB -0.727 27.676 28.738 -0.559 0.000 0.927 20 Q HN 0.914 nan 8.270 nan 0.000 0.450 21 Y N 0.479 120.794 120.300 0.024 0.000 2.519 21 Y HA 0.190 4.796 4.550 0.094 0.000 0.287 21 Y C 1.385 177.228 175.900 -0.095 0.000 1.128 21 Y CA -0.058 58.075 58.100 0.054 0.000 1.282 21 Y CB 0.587 39.189 38.460 0.237 0.000 1.027 21 Y HN 0.319 nan 8.280 nan 0.000 0.551 22 G N -0.311 108.477 108.800 -0.019 0.000 2.164 22 G HA2 -0.269 3.746 3.960 0.093 0.000 0.212 22 G HA3 -0.269 3.746 3.960 0.093 0.000 0.212 22 G C -0.738 173.910 174.900 -0.419 0.000 1.031 22 G CA -0.524 44.445 45.100 -0.219 0.000 0.730 22 G HN 0.306 nan 8.290 nan 0.000 0.501 23 Y N -0.945 119.456 120.300 0.168 0.000 2.468 23 Y HA 0.658 5.265 4.550 0.094 0.000 0.342 23 Y C 0.928 176.940 175.900 0.186 0.000 1.021 23 Y CA -1.183 57.032 58.100 0.192 0.000 1.079 23 Y CB 1.539 40.161 38.460 0.270 0.000 1.226 23 Y HN 0.255 nan 8.280 nan 0.000 0.460 24 c N 1.758 120.457 118.600 0.166 0.000 2.341 24 c HA 0.956 5.582 4.570 0.093 0.000 0.338 24 c C 0.748 174.547 174.090 -0.486 0.000 1.257 24 c CA -0.322 55.958 56.329 -0.083 0.000 1.883 24 c CB 0.158 42.627 42.510 -0.068 0.000 2.334 24 c HN 1.043 nan 8.230 nan 0.000 0.524 25 G N 2.210 110.515 108.800 -0.825 0.000 2.428 25 G HA2 0.591 4.607 3.960 0.093 0.000 0.304 25 G HA3 0.591 4.607 3.960 0.093 0.000 0.304 25 G C -2.010 172.507 174.900 -0.637 0.000 1.303 25 G CA -0.439 43.980 45.100 -1.136 0.000 0.825 25 G HN 0.514 nan 8.290 nan 0.000 0.484 26 M N 0.152 119.530 119.600 -0.370 0.000 2.393 26 M HA 0.804 5.340 4.480 0.093 0.000 0.299 26 M C 0.091 176.459 176.300 0.113 0.000 1.103 26 M CA 0.131 55.397 55.300 -0.056 0.000 0.910 26 M CB 1.328 33.921 32.600 -0.012 0.000 1.659 26 M HN 2.436 nan 8.290 nan 0.000 0.445 27 G N 2.160 111.039 108.800 0.131 0.000 2.343 27 G HA2 0.228 4.244 3.960 0.093 0.000 0.465 27 G HA3 0.228 4.244 3.960 0.093 0.000 0.465 27 G C 0.168 174.929 174.900 -0.231 0.000 1.282 27 G CA -0.223 44.969 45.100 0.153 0.000 0.996 27 G HN 1.210 nan 8.290 nan 0.000 0.521 28 G N -0.652 108.000 108.800 -0.247 0.000 2.422 28 G HA2 -0.049 3.967 3.960 0.093 0.000 0.218 28 G HA3 -0.049 3.967 3.960 0.093 0.000 0.218 28 G C 1.216 175.860 174.900 -0.426 0.000 1.146 28 G CA 1.996 46.712 45.100 -0.641 0.000 0.769 28 G HN 0.678 nan 8.290 nan 0.000 0.547 29 D N -0.264 119.986 120.400 -0.250 0.000 2.149 29 D HA -0.086 4.610 4.640 0.093 0.000 0.198 29 D C 1.884 177.898 176.300 -0.475 0.000 0.990 29 D CA 1.072 54.855 54.000 -0.363 0.000 0.839 29 D CB -0.109 40.380 40.800 -0.518 0.000 0.948 29 D HN 0.542 nan 8.370 nan 0.000 0.460 30 Y N -0.856 119.308 120.300 -0.227 0.000 2.539 30 Y HA 0.136 4.744 4.550 0.096 0.000 0.284 30 Y C 2.496 178.193 175.900 -0.339 0.000 1.134 30 Y CA -0.022 57.953 58.100 -0.208 0.000 1.251 30 Y CB -0.346 38.043 38.460 -0.118 0.000 1.260 30 Y HN -0.041 nan 8.280 nan 0.000 0.528 31 c N 0.408 118.775 118.600 -0.389 0.000 2.468 31 c HA 0.209 4.835 4.570 0.093 0.000 0.277 31 c C 2.287 175.791 174.090 -0.977 0.000 1.400 31 c CA 0.403 56.284 56.329 -0.747 0.000 1.770 31 c CB -1.509 40.462 42.510 -0.898 0.000 1.905 31 c HN 0.638 nan 8.230 nan 0.000 0.519 32 G N 0.733 108.940 108.800 -0.988 0.000 2.466 32 G HA2 0.144 4.160 3.960 0.093 0.000 0.204 32 G HA3 0.144 4.160 3.960 0.093 0.000 0.204 32 G C 0.122 174.893 174.900 -0.214 0.000 1.600 32 G CA 0.005 44.799 45.100 -0.511 0.000 1.038 32 G HN 0.427 nan 8.290 nan 0.000 0.515 33 K N -0.047 120.278 120.400 -0.125 0.000 2.298 33 K HA 0.453 4.829 4.320 0.093 0.000 0.280 33 K C 0.983 177.498 176.600 -0.141 0.000 1.032 33 K CA 0.846 57.080 56.287 -0.088 0.000 0.958 33 K CB 0.627 33.099 32.500 -0.046 0.000 0.978 33 K HN 1.397 nan 8.250 nan 0.000 0.472 34 G N 2.523 111.252 108.800 -0.118 0.000 2.225 34 G HA2 -0.324 3.692 3.960 0.093 0.000 0.254 34 G HA3 -0.324 3.692 3.960 0.093 0.000 0.254 34 G C 0.509 175.326 174.900 -0.138 0.000 0.988 34 G CA 0.020 45.031 45.100 -0.148 0.000 0.625 34 G HN 0.954 nan 8.290 nan 0.000 0.527 35 c N 1.620 120.143 118.600 -0.129 0.000 2.431 35 c HA 0.350 4.975 4.570 0.093 0.000 0.397 35 c C 1.934 175.982 174.090 -0.070 0.000 1.436 35 c CA 1.597 57.866 56.329 -0.100 0.000 1.596 35 c CB 0.042 42.486 42.510 -0.110 0.000 2.550 35 c HN 0.679 nan 8.230 nan 0.000 0.596 36 Q N 4.029 123.796 119.800 -0.056 0.000 2.316 36 Q HA 0.253 4.649 4.340 0.093 0.000 0.235 36 Q C 0.374 176.353 176.000 -0.036 0.000 0.863 36 Q CA 0.187 55.962 55.803 -0.047 0.000 0.939 36 Q CB 0.130 28.838 28.738 -0.050 0.000 1.108 36 Q HN 0.954 nan 8.270 nan 0.000 0.522 37 N N -1.194 117.486 118.700 -0.032 0.000 3.356 37 N HA 0.370 5.165 4.740 0.093 0.000 0.246 37 N C -0.174 175.322 175.510 -0.022 0.000 1.480 37 N CA -0.164 52.870 53.050 -0.028 0.000 0.877 37 N CB 0.802 39.274 38.487 -0.025 0.000 1.431 37 N HN 0.095 nan 8.380 nan 0.000 0.500 38 G N -0.053 108.737 108.800 -0.017 0.000 2.542 38 G HA2 0.103 4.119 3.960 0.093 0.000 0.235 38 G HA3 0.103 4.119 3.960 0.093 0.000 0.235 38 G C -0.110 174.788 174.900 -0.002 0.000 1.286 38 G CA 0.227 45.325 45.100 -0.003 0.000 0.904 38 G HN 1.441 nan 8.290 nan 0.000 0.577 39 A N -0.589 122.244 122.820 0.023 0.000 3.118 39 A HA 0.497 4.873 4.320 0.093 0.000 0.256 39 A C 0.898 178.536 177.584 0.091 0.000 1.667 39 A CA 0.699 52.770 52.037 0.057 0.000 1.338 39 A CB -1.055 18.004 19.000 0.098 0.000 1.127 39 A HN 1.515 nan 8.150 nan 0.000 0.634 40 c N 1.541 120.170 118.600 0.048 0.000 2.651 40 c HA -0.001 4.625 4.570 0.093 0.000 0.410 40 c C 1.440 175.654 174.090 0.206 0.000 1.372 40 c CA -0.370 55.986 56.329 0.045 0.000 1.707 40 c CB -1.344 41.175 42.510 0.016 0.000 2.501 40 c HN 0.874 nan 8.230 nan 0.000 0.598 41 W N 2.333 123.639 121.300 0.009 0.000 2.276 41 W HA -0.125 4.588 4.660 0.088 0.000 0.307 41 W C 1.393 177.917 176.519 0.009 0.000 1.240 41 W CA 1.273 58.623 57.345 0.009 0.000 1.249 41 W CB -1.323 28.145 29.460 0.013 0.000 1.140 41 W HN 0.496 nan 8.180 nan 0.000 0.519 42 T N 1.193 115.888 114.554 0.235 0.000 2.781 42 T HA 0.306 4.711 4.350 0.093 0.000 0.305 42 T C 0.217 174.992 174.700 0.126 0.000 1.001 42 T CA -0.431 61.761 62.100 0.154 0.000 0.950 42 T CB 0.930 69.875 68.868 0.128 0.000 0.955 42 T HN -0.246 nan 8.240 nan 0.000 0.471 43 S N 4.063 119.847 115.700 0.141 0.000 2.561 43 S HA 0.035 4.561 4.470 0.093 0.000 0.294 43 S C 0.758 175.446 174.600 0.146 0.000 1.294 43 S CA -0.046 58.239 58.200 0.141 0.000 1.055 43 S CB 0.317 63.646 63.200 0.215 0.000 0.819 43 S HN 0.513 nan 8.310 nan 0.000 0.503 44 K N 2.100 122.537 120.400 0.062 0.000 2.154 44 K HA 0.338 4.714 4.320 0.093 0.000 0.264 44 K C -0.025 176.558 176.600 -0.028 0.000 1.008 44 K CA -0.890 55.405 56.287 0.013 0.000 0.937 44 K CB 0.433 32.920 32.500 -0.021 0.000 1.002 44 K HN 0.353 nan 8.250 nan 0.000 0.469 45 R N 0.702 121.148 120.500 -0.090 0.000 2.500 45 R HA 0.353 4.749 4.340 0.093 0.000 0.275 45 R C 0.193 176.415 176.300 -0.130 0.000 1.051 45 R CA -0.516 55.460 56.100 -0.207 0.000 1.088 45 R CB 0.381 30.542 30.300 -0.232 0.000 1.063 45 R HN 0.981 nan 8.270 nan 0.000 0.511 46 c N -2.488 116.026 118.600 -0.143 0.000 3.332 46 c HA 0.866 5.491 4.570 0.093 0.000 0.329 46 c C 0.747 174.791 174.090 -0.075 0.000 1.434 46 c CA 0.030 56.308 56.329 -0.084 0.000 1.314 46 c CB 1.000 43.476 42.510 -0.056 0.000 1.664 46 c HN 1.077 nan 8.230 nan 0.000 0.457 47 G N 1.593 110.364 108.800 -0.048 0.000 2.575 47 G HA2 -0.128 3.888 3.960 0.093 0.000 0.267 47 G HA3 -0.128 3.888 3.960 0.093 0.000 0.267 47 G C 0.845 175.723 174.900 -0.037 0.000 1.264 47 G CA 0.899 45.977 45.100 -0.037 0.000 0.935 47 G HN 2.011 nan 8.290 nan 0.000 0.568 48 S N -0.153 115.529 115.700 -0.029 0.000 2.380 48 S HA -0.287 4.239 4.470 0.093 0.000 0.229 48 S C 2.233 176.817 174.600 -0.028 0.000 1.050 48 S CA 2.626 60.812 58.200 -0.023 0.000 1.100 48 S CB -0.487 62.703 63.200 -0.016 0.000 0.984 48 S HN 0.776 nan 8.310 nan 0.000 0.434 49 Q N 0.817 120.596 119.800 -0.035 0.000 2.449 49 Q HA 0.128 4.524 4.340 0.093 0.000 0.214 49 Q C 0.826 176.787 176.000 -0.064 0.000 0.986 49 Q CA 1.123 56.899 55.803 -0.046 0.000 0.893 49 Q CB -0.455 28.239 28.738 -0.074 0.000 0.940 49 Q HN 0.612 nan 8.270 nan 0.000 0.477 50 A N -0.970 121.813 122.820 -0.062 0.000 3.415 50 A HA 0.589 4.965 4.320 0.093 0.000 0.244 50 A C 0.695 178.253 177.584 -0.043 0.000 0.988 50 A CA -0.171 51.830 52.037 -0.061 0.000 0.991 50 A CB -0.394 18.556 19.000 -0.083 0.000 1.240 50 A HN 0.238 nan 8.150 nan 0.000 0.541 51 G N -0.175 108.606 108.800 -0.033 0.000 2.379 51 G HA2 0.096 4.112 3.960 0.093 0.000 0.297 51 G HA3 0.096 4.112 3.960 0.093 0.000 0.297 51 G C 1.635 176.521 174.900 -0.024 0.000 1.004 51 G CA 1.422 46.507 45.100 -0.025 0.000 0.921 51 G HN 2.471 nan 8.290 nan 0.000 0.511 52 G N -2.062 106.723 108.800 -0.026 0.000 2.179 52 G HA2 0.147 4.163 3.960 0.093 0.000 0.260 52 G HA3 0.147 4.163 3.960 0.093 0.000 0.260 52 G C 0.947 175.833 174.900 -0.025 0.000 0.977 52 G CA 1.105 46.191 45.100 -0.023 0.000 0.641 52 G HN 2.313 nan 8.290 nan 0.000 0.533 53 A N -0.169 122.633 122.820 -0.029 0.000 2.555 53 A HA 0.549 4.924 4.320 0.093 0.000 0.233 53 A C 0.783 178.348 177.584 -0.031 0.000 1.060 53 A CA 1.754 53.772 52.037 -0.031 0.000 0.759 53 A CB 0.311 19.288 19.000 -0.039 0.000 0.995 53 A HN 1.076 nan 8.150 nan 0.000 0.506 54 T N 1.066 115.603 114.554 -0.028 0.000 2.943 54 T HA 0.456 4.861 4.350 0.093 0.000 0.284 54 T C 0.051 174.730 174.700 -0.035 0.000 1.015 54 T CA -0.457 61.627 62.100 -0.027 0.000 1.042 54 T CB 0.196 69.053 68.868 -0.019 0.000 1.055 54 T HN 0.796 nan 8.240 nan 0.000 0.500 55 c N 2.705 121.280 118.600 -0.043 0.000 2.443 55 c HA 0.650 5.276 4.570 0.093 0.000 0.369 55 c C 1.439 175.498 174.090 -0.053 0.000 1.241 55 c CA -0.787 55.505 56.329 -0.062 0.000 2.413 55 c CB 0.343 42.793 42.510 -0.100 0.000 2.451 55 c HN 1.031 nan 8.230 nan 0.000 0.595 56 T N -0.741 113.778 114.554 -0.058 0.000 2.810 56 T HA 0.300 4.705 4.350 0.093 0.000 0.277 56 T C 0.378 175.056 174.700 -0.038 0.000 0.973 56 T CA -0.238 61.839 62.100 -0.038 0.000 0.949 56 T CB 0.069 68.916 68.868 -0.035 0.000 1.075 56 T HN 0.763 nan 8.240 nan 0.000 0.537 57 N N 0.612 119.310 118.700 -0.003 0.000 2.678 57 N HA -0.221 4.575 4.740 0.093 0.000 0.250 57 N C -0.157 175.415 175.510 0.103 0.000 1.136 57 N CA 0.965 54.039 53.050 0.041 0.000 0.757 57 N CB -1.801 36.711 38.487 0.042 0.000 1.135 57 N HN 0.741 nan 8.380 nan 0.000 0.565 58 N N -1.170 117.568 118.700 0.064 0.000 2.783 58 N HA -0.185 4.611 4.740 0.093 0.000 0.247 58 N C -0.858 174.743 175.510 0.153 0.000 1.089 58 N CA 0.994 54.113 53.050 0.115 0.000 0.690 58 N CB -0.974 37.609 38.487 0.161 0.000 0.991 58 N HN 0.666 nan 8.380 nan 0.000 0.552 59 Q N -0.467 119.273 119.800 -0.100 0.000 2.260 59 Q HA 0.390 4.786 4.340 0.093 0.000 0.242 59 Q C 0.015 175.903 176.000 -0.185 0.000 0.932 59 Q CA -0.192 55.333 55.803 -0.464 0.000 0.891 59 Q CB 1.169 29.544 28.738 -0.605 0.000 1.222 59 Q HN 0.326 nan 8.270 nan 0.000 0.453 60 c N 1.442 119.943 118.600 -0.165 0.000 2.514 60 c HA 0.174 4.800 4.570 0.093 0.000 0.392 60 c C 0.586 174.694 174.090 0.029 0.000 1.294 60 c CA -0.994 55.349 56.329 0.023 0.000 1.957 60 c CB -0.303 42.291 42.510 0.140 0.000 2.541 60 c HN 0.789 nan 8.230 nan 0.000 0.569 61 c N 6.052 124.675 118.600 0.038 0.000 2.289 61 c HA 0.435 5.061 4.570 0.093 0.000 0.340 61 c C 1.173 175.313 174.090 0.083 0.000 1.152 61 c CA -0.252 56.110 56.329 0.055 0.000 1.650 61 c CB -1.821 40.694 42.510 0.008 0.000 2.203 61 c HN 1.071 nan 8.230 nan 0.000 0.511 62 S N 4.657 120.457 115.700 0.168 0.000 2.587 62 S HA 0.041 4.567 4.470 0.093 0.000 0.260 62 S C 1.294 175.864 174.600 -0.050 0.000 1.353 62 S CA 0.326 58.556 58.200 0.050 0.000 0.995 62 S CB 0.578 63.768 63.200 -0.016 0.000 0.912 62 S HN 0.893 nan 8.310 nan 0.000 0.568 63 Q N 0.240 119.906 119.800 -0.222 0.000 2.234 63 Q HA -0.204 4.192 4.340 0.093 0.000 0.206 63 Q C 1.283 177.111 176.000 -0.287 0.000 0.980 63 Q CA 1.806 57.424 55.803 -0.309 0.000 0.869 63 Q CB -0.787 27.696 28.738 -0.425 0.000 0.912 63 Q HN 0.922 nan 8.270 nan 0.000 0.436 64 Y N 0.674 121.016 120.300 0.071 0.000 2.546 64 Y HA 0.192 4.797 4.550 0.092 0.000 0.287 64 Y C 1.321 177.261 175.900 0.066 0.000 1.158 64 Y CA 0.068 58.248 58.100 0.133 0.000 1.307 64 Y CB 0.549 39.187 38.460 0.297 0.000 1.036 64 Y HN 0.372 nan 8.280 nan 0.000 0.532 65 G N -0.163 108.699 108.800 0.102 0.000 2.204 65 G HA2 -0.296 3.720 3.960 0.093 0.000 0.244 65 G HA3 -0.296 3.720 3.960 0.093 0.000 0.244 65 G C -0.742 173.981 174.900 -0.294 0.000 1.062 65 G CA -0.466 44.583 45.100 -0.086 0.000 0.798 65 G HN 0.337 nan 8.290 nan 0.000 0.496 66 Y N -0.940 119.452 120.300 0.154 0.000 2.429 66 Y HA 0.602 5.206 4.550 0.089 0.000 0.342 66 Y C 1.053 177.070 175.900 0.196 0.000 1.004 66 Y CA -1.012 57.199 58.100 0.185 0.000 1.075 66 Y CB 1.521 40.159 38.460 0.297 0.000 1.214 66 Y HN 0.290 nan 8.280 nan 0.000 0.455 67 c N 2.097 120.795 118.600 0.162 0.000 2.401 67 c HA 0.918 5.544 4.570 0.093 0.000 0.365 67 c C 0.864 174.735 174.090 -0.363 0.000 1.250 67 c CA -0.097 56.202 56.329 -0.050 0.000 2.131 67 c CB -0.032 42.406 42.510 -0.120 0.000 2.445 67 c HN 1.053 nan 8.230 nan 0.000 0.550 68 G N 1.154 109.576 108.800 -0.630 0.000 2.348 68 G HA2 0.611 4.626 3.960 0.093 0.000 0.296 68 G HA3 0.611 4.626 3.960 0.093 0.000 0.296 68 G C -1.942 172.481 174.900 -0.795 0.000 1.258 68 G CA -0.345 44.124 45.100 -1.052 0.000 0.868 68 G HN 0.380 nan 8.290 nan 0.000 0.488 69 F N -0.087 119.691 119.950 -0.286 0.000 2.613 69 F HA 0.853 5.371 4.527 -0.015 0.000 0.314 69 F C 0.685 176.562 175.800 0.129 0.000 1.075 69 F CA 0.051 58.041 58.000 -0.017 0.000 0.945 69 F CB 2.182 41.168 39.000 -0.023 0.000 1.310 69 F HN 1.659 nan 8.300 nan 0.000 0.467 70 G N 0.221 109.241 108.800 0.367 0.000 2.515 70 G HA2 0.406 4.422 3.960 0.093 0.000 0.686 70 G HA3 0.406 4.422 3.960 0.093 0.000 0.686 70 G C 0.394 175.434 174.900 0.233 0.000 1.274 70 G CA -0.191 45.064 45.100 0.258 0.000 0.874 70 G HN 1.234 nan 8.290 nan 0.000 0.631 71 A N 0.095 122.996 122.820 0.134 0.000 1.896 71 A HA -0.155 4.221 4.320 0.093 0.000 0.220 71 A C 2.135 179.741 177.584 0.038 0.000 1.206 71 A CA 2.868 54.949 52.037 0.073 0.000 0.647 71 A CB -0.689 18.335 19.000 0.041 0.000 0.828 71 A HN 1.125 nan 8.150 nan 0.000 0.455 72 E N -1.478 118.726 120.200 0.006 0.000 2.118 72 E HA -0.189 4.217 4.350 0.093 0.000 0.195 72 E C 1.722 178.141 176.600 -0.302 0.000 0.992 72 E CA 1.932 58.226 56.400 -0.176 0.000 0.804 72 E CB -0.352 29.179 29.700 -0.282 0.000 0.741 72 E HN 0.863 nan 8.360 nan 0.000 0.458 73 Y N -1.706 118.625 120.300 0.052 0.000 2.343 73 Y HA 0.010 4.623 4.550 0.105 0.000 0.294 73 Y C 2.263 178.183 175.900 0.034 0.000 1.122 73 Y CA 0.459 58.585 58.100 0.042 0.000 1.173 73 Y CB -0.154 38.330 38.460 0.039 0.000 1.077 73 Y HN 0.073 nan 8.280 nan 0.000 0.542 74 c N -0.050 118.685 118.600 0.224 0.000 2.495 74 c HA 0.226 4.852 4.570 0.093 0.000 0.275 74 c C 2.098 176.230 174.090 0.070 0.000 1.392 74 c CA 0.273 56.694 56.329 0.153 0.000 1.766 74 c CB -1.502 41.122 42.510 0.189 0.000 1.933 74 c HN 0.582 nan 8.230 nan 0.000 0.519 75 G N 0.450 109.276 108.800 0.043 0.000 2.418 75 G HA2 0.409 4.425 3.960 0.093 0.000 0.276 75 G HA3 0.409 4.425 3.960 0.093 0.000 0.276 75 G C 0.321 175.207 174.900 -0.022 0.000 1.442 75 G CA 0.328 45.431 45.100 0.005 0.000 1.066 75 G HN 0.642 nan 8.290 nan 0.000 0.553 76 A N -2.182 120.615 122.820 -0.037 0.000 2.507 76 A HA 0.481 4.857 4.320 0.093 0.000 0.235 76 A C 1.794 179.331 177.584 -0.079 0.000 1.070 76 A CA 1.414 53.420 52.037 -0.050 0.000 0.768 76 A CB -0.590 18.383 19.000 -0.046 0.000 1.011 76 A HN 2.558 nan 8.150 nan 0.000 0.502 77 G N -0.368 108.387 108.800 -0.076 0.000 2.220 77 G HA2 -0.311 3.705 3.960 0.093 0.000 0.269 77 G HA3 -0.311 3.705 3.960 0.093 0.000 0.269 77 G C 0.957 175.803 174.900 -0.090 0.000 0.977 77 G CA 0.809 45.848 45.100 -0.101 0.000 0.634 77 G HN 2.059 nan 8.290 nan 0.000 0.539 78 c N 1.397 119.961 118.600 -0.061 0.000 2.431 78 c HA 0.385 5.011 4.570 0.093 0.000 0.397 78 c C 1.815 175.890 174.090 -0.024 0.000 1.436 78 c CA 1.410 57.723 56.329 -0.027 0.000 1.596 78 c CB 0.057 42.568 42.510 0.002 0.000 2.550 78 c HN 0.705 nan 8.230 nan 0.000 0.596 79 Q N 4.215 124.006 119.800 -0.014 0.000 2.189 79 Q HA 0.469 4.865 4.340 0.093 0.000 0.223 79 Q C 0.387 176.382 176.000 -0.009 0.000 0.828 79 Q CA 0.290 56.084 55.803 -0.016 0.000 0.967 79 Q CB 0.753 29.477 28.738 -0.024 0.000 1.139 79 Q HN 0.950 nan 8.270 nan 0.000 0.497 80 G N -0.776 108.023 108.800 -0.001 0.000 2.466 80 G HA2 0.512 4.528 3.960 0.093 0.000 0.291 80 G HA3 0.512 4.528 3.960 0.093 0.000 0.291 80 G C -0.556 174.351 174.900 0.012 0.000 1.460 80 G CA 0.008 45.108 45.100 -0.000 0.000 0.791 80 G HN 0.551 nan 8.290 nan 0.000 0.505 81 G N -0.401 108.408 108.800 0.015 0.000 2.660 81 G HA2 0.170 4.185 3.960 0.093 0.000 0.247 81 G HA3 0.170 4.185 3.960 0.093 0.000 0.247 81 G C -2.448 172.482 174.900 0.050 0.000 1.328 81 G CA 0.005 45.131 45.100 0.043 0.000 0.884 81 G HN 1.090 nan 8.290 nan 0.000 0.531 82 P HA 0.308 nan 4.420 nan 0.000 0.232 82 P C 0.569 177.902 177.300 0.056 0.000 1.738 82 P CA -0.203 62.931 63.100 0.057 0.000 0.948 82 P CB -0.709 31.038 31.700 0.079 0.000 1.943 83 c N 1.494 120.113 118.600 0.032 0.000 2.611 83 c HA 0.063 4.688 4.570 0.093 0.000 0.416 83 c C 2.387 176.475 174.090 -0.003 0.000 1.366 83 c CA -0.149 56.193 56.329 0.022 0.000 1.761 83 c CB -0.569 41.941 42.510 -0.001 0.000 2.619 83 c HN 0.482 nan 8.230 nan 0.000 0.606 84 R N 1.605 122.108 120.500 0.005 0.000 2.241 84 R HA -0.046 4.350 4.340 0.093 0.000 0.224 84 R C 0.735 177.014 176.300 -0.035 0.000 1.101 84 R CA 1.009 57.105 56.100 -0.007 0.000 0.995 84 R CB -0.057 30.247 30.300 0.007 0.000 0.870 84 R HN 0.802 nan 8.270 nan 0.000 0.463 85 A N 1.137 123.927 122.820 -0.051 0.000 2.337 85 A HA 0.241 4.617 4.320 0.093 0.000 0.329 85 A C -0.922 176.584 177.584 -0.130 0.000 1.146 85 A CA -0.886 51.100 52.037 -0.085 0.000 0.800 85 A CB 0.846 19.806 19.000 -0.067 0.000 1.220 85 A HN 0.007 nan 8.150 nan 0.000 0.472 86 D N 1.515 121.777 120.400 -0.230 0.000 2.472 86 D HA 0.171 4.867 4.640 0.093 0.000 0.248 86 D C -0.202 175.949 176.300 -0.248 0.000 1.174 86 D CA 0.916 54.690 54.000 -0.377 0.000 0.883 86 D CB 0.371 40.612 40.800 -0.931 0.000 1.149 86 D HN 0.281 nan 8.370 nan 0.000 0.488 87 I N 2.674 123.168 120.570 -0.127 0.000 2.441 87 I HA 0.071 4.297 4.170 0.093 0.000 0.287 87 I C 1.184 177.348 176.117 0.079 0.000 1.049 87 I CA -0.054 61.231 61.300 -0.025 0.000 1.381 87 I CB 0.597 38.592 38.000 -0.009 0.000 1.409 87 I HN -0.009 nan 8.210 nan 0.000 0.523 88 K N 4.909 125.393 120.400 0.140 0.000 2.090 88 K HA 0.797 5.173 4.320 0.093 0.000 0.250 88 K C -0.573 176.127 176.600 0.167 0.000 1.004 88 K CA -0.368 56.084 56.287 0.275 0.000 0.919 88 K CB 1.184 33.828 32.500 0.239 0.000 1.045 88 K HN 0.959 nan 8.250 nan 0.000 0.471 89 c N -1.986 116.712 118.600 0.163 0.000 3.209 89 c HA 0.794 5.419 4.570 0.093 0.000 0.353 89 c C 0.306 174.431 174.090 0.058 0.000 1.436 89 c CA -0.311 56.071 56.329 0.088 0.000 1.186 89 c CB -0.130 42.430 42.510 0.084 0.000 1.550 89 c HN 1.075 nan 8.230 nan 0.000 0.435 90 G N 0.783 109.599 108.800 0.026 0.000 2.741 90 G HA2 0.132 4.148 3.960 0.093 0.000 0.222 90 G HA3 0.132 4.148 3.960 0.093 0.000 0.222 90 G C 0.778 175.677 174.900 -0.001 0.000 1.364 90 G CA 0.687 45.786 45.100 -0.002 0.000 0.866 90 G HN 2.673 nan 8.290 nan 0.000 0.555 91 S N -1.042 114.649 115.700 -0.014 0.000 2.440 91 S HA -0.198 4.328 4.470 0.093 0.000 0.240 91 S C 2.016 176.618 174.600 0.003 0.000 1.014 91 S CA 2.375 60.570 58.200 -0.009 0.000 0.980 91 S CB -0.198 62.992 63.200 -0.018 0.000 0.775 91 S HN 0.784 nan 8.310 nan 0.000 0.499 92 Q N 1.829 121.634 119.800 0.008 0.000 2.119 92 Q HA 0.308 4.704 4.340 0.093 0.000 0.201 92 Q C 1.502 177.523 176.000 0.036 0.000 0.972 92 Q CA 1.447 57.264 55.803 0.023 0.000 0.847 92 Q CB -0.414 28.340 28.738 0.027 0.000 0.903 92 Q HN 0.754 nan 8.270 nan 0.000 0.433 93 A N -0.318 122.525 122.820 0.039 0.000 3.213 93 A HA 0.577 4.952 4.320 0.093 0.000 0.308 93 A C 0.706 178.305 177.584 0.026 0.000 1.177 93 A CA 0.014 52.077 52.037 0.043 0.000 1.010 93 A CB -0.765 18.273 19.000 0.063 0.000 1.092 93 A HN 0.306 nan 8.150 nan 0.000 0.583 94 G N -0.526 108.284 108.800 0.017 0.000 2.341 94 G HA2 0.093 4.109 3.960 0.093 0.000 0.292 94 G HA3 0.093 4.109 3.960 0.093 0.000 0.292 94 G C 1.483 176.384 174.900 0.002 0.000 1.021 94 G CA 1.104 46.209 45.100 0.008 0.000 0.905 94 G HN 2.326 nan 8.290 nan 0.000 0.508 95 G N -1.427 107.373 108.800 -0.001 0.000 2.175 95 G HA2 -0.234 3.782 3.960 0.093 0.000 0.244 95 G HA3 -0.234 3.782 3.960 0.093 0.000 0.244 95 G C 0.502 175.394 174.900 -0.012 0.000 0.982 95 G CA 0.915 46.008 45.100 -0.011 0.000 0.641 95 G HN 1.312 nan 8.290 nan 0.000 0.527 96 K N 0.328 120.727 120.400 -0.001 0.000 2.569 96 K HA 0.315 4.691 4.320 0.093 0.000 0.280 96 K C 0.634 177.231 176.600 -0.005 0.000 0.984 96 K CA 0.421 56.708 56.287 0.001 0.000 1.064 96 K CB 0.061 32.571 32.500 0.018 0.000 0.866 96 K HN 0.313 nan 8.250 nan 0.000 0.492 97 L N 4.567 125.781 121.223 -0.015 0.000 2.295 97 L HA 0.287 4.683 4.340 0.093 0.000 0.285 97 L C -0.290 176.573 176.870 -0.012 0.000 1.035 97 L CA -1.100 53.724 54.840 -0.026 0.000 0.806 97 L CB 1.422 43.451 42.059 -0.051 0.000 1.214 97 L HN 0.747 nan 8.230 nan 0.000 0.426 98 c N 4.000 122.597 118.600 -0.006 0.000 2.689 98 c HA 0.246 4.872 4.570 0.093 0.000 0.409 98 c C -1.655 172.431 174.090 -0.007 0.000 1.293 98 c CA -0.752 55.577 56.329 0.001 0.000 2.136 98 c CB -0.218 42.294 42.510 0.004 0.000 2.719 98 c HN 0.511 nan 8.230 nan 0.000 0.644 99 P HA 0.177 nan 4.420 nan 0.000 0.286 99 P C -0.459 176.841 177.300 -0.000 0.000 1.261 99 P CA -0.052 63.045 63.100 -0.006 0.000 0.821 99 P CB 0.424 32.120 31.700 -0.007 0.000 1.013 100 N N 1.928 120.631 118.700 0.006 0.000 2.776 100 N HA -0.191 4.604 4.740 0.093 0.000 0.249 100 N C -0.181 175.344 175.510 0.025 0.000 1.111 100 N CA 0.196 53.254 53.050 0.014 0.000 0.711 100 N CB -1.029 37.462 38.487 0.007 0.000 1.065 100 N HN 0.564 nan 8.380 nan 0.000 0.556 101 N N -1.610 117.115 118.700 0.041 0.000 2.863 101 N HA -0.197 4.598 4.740 0.093 0.000 0.245 101 N C -0.020 175.525 175.510 0.057 0.000 1.001 101 N CA 1.254 54.351 53.050 0.078 0.000 0.901 101 N CB -1.198 37.352 38.487 0.105 0.000 1.124 101 N HN 0.490 nan 8.380 nan 0.000 0.582 102 L N 0.716 121.951 121.223 0.021 0.000 2.499 102 L HA 0.011 4.407 4.340 0.093 0.000 0.281 102 L C 1.140 178.022 176.870 0.021 0.000 1.234 102 L CA 0.142 54.981 54.840 -0.002 0.000 0.839 102 L CB 0.178 42.208 42.059 -0.049 0.000 1.104 102 L HN 0.112 nan 8.230 nan 0.000 0.500 103 c N 1.637 120.255 118.600 0.029 0.000 2.527 103 c HA 0.162 4.788 4.570 0.093 0.000 0.396 103 c C 0.687 174.839 174.090 0.103 0.000 1.289 103 c CA -0.816 55.561 56.329 0.081 0.000 2.047 103 c CB 0.340 42.934 42.510 0.140 0.000 2.568 103 c HN 0.820 nan 8.230 nan 0.000 0.573 104 c N 5.515 124.168 118.600 0.087 0.000 2.176 104 c HA 0.469 5.095 4.570 0.093 0.000 0.329 104 c C 1.076 175.206 174.090 0.066 0.000 1.113 104 c CA -0.398 55.987 56.329 0.093 0.000 1.562 104 c CB -1.757 40.776 42.510 0.039 0.000 2.040 104 c HN 1.100 nan 8.230 nan 0.000 0.460 105 S N 3.897 119.694 115.700 0.162 0.000 2.553 105 S HA -0.098 4.428 4.470 0.093 0.000 0.271 105 S C 1.180 175.614 174.600 -0.276 0.000 1.362 105 S CA 0.449 58.634 58.200 -0.024 0.000 1.010 105 S CB 0.413 63.623 63.200 0.017 0.000 0.865 105 S HN 0.904 nan 8.310 nan 0.000 0.543 106 Q N 0.669 120.098 119.800 -0.620 0.000 2.234 106 Q HA -0.113 4.283 4.340 0.093 0.000 0.206 106 Q C 1.300 176.715 176.000 -0.975 0.000 0.980 106 Q CA 2.070 57.316 55.803 -0.929 0.000 0.869 106 Q CB -0.168 27.633 28.738 -1.562 0.000 0.912 106 Q HN 0.938 nan 8.270 nan 0.000 0.436 107 W N -1.232 119.973 121.300 -0.158 0.000 3.003 107 W HA 0.264 4.979 4.660 0.092 0.000 0.257 107 W C 1.141 177.433 176.519 -0.378 0.000 1.308 107 W CA 0.086 57.257 57.345 -0.291 0.000 1.529 107 W CB 0.390 29.610 29.460 -0.399 0.000 1.115 107 W HN 0.216 nan 8.180 nan 0.000 0.659 108 G N -0.320 108.389 108.800 -0.150 0.000 2.167 108 G HA2 -0.218 3.798 3.960 0.093 0.000 0.194 108 G HA3 -0.218 3.798 3.960 0.093 0.000 0.194 108 G C -0.640 174.339 174.900 0.132 0.000 1.027 108 G CA -0.823 44.246 45.100 -0.052 0.000 0.717 108 G HN 0.030 nan 8.290 nan 0.000 0.501 109 F N -0.315 119.754 119.950 0.198 0.000 2.561 109 F HA 0.714 5.297 4.527 0.093 0.000 0.321 109 F C 0.776 176.697 175.800 0.202 0.000 1.065 109 F CA -2.205 55.927 58.000 0.221 0.000 0.934 109 F CB 1.367 40.561 39.000 0.324 0.000 1.215 109 F HN 0.131 nan 8.300 nan 0.000 0.471 110 c N 1.284 120.032 118.600 0.247 0.000 2.350 110 c HA 0.921 5.546 4.570 0.093 0.000 0.348 110 c C 0.688 174.528 174.090 -0.416 0.000 1.260 110 c CA -0.232 56.088 56.329 -0.015 0.000 1.966 110 c CB 0.180 42.673 42.510 -0.029 0.000 2.380 110 c HN 1.015 nan 8.230 nan 0.000 0.535 111 G N 1.658 110.118 108.800 -0.567 0.000 2.427 111 G HA2 0.587 4.603 3.960 0.093 0.000 0.306 111 G HA3 0.587 4.603 3.960 0.093 0.000 0.306 111 G C -2.363 172.286 174.900 -0.419 0.000 1.280 111 G CA -0.365 44.111 45.100 -1.041 0.000 0.837 111 G HN 0.571 nan 8.290 nan 0.000 0.482 112 L N -0.020 121.033 121.223 -0.283 0.000 2.526 112 L HA 0.826 5.221 4.340 0.093 0.000 0.263 112 L C 0.238 177.214 176.870 0.176 0.000 0.943 112 L CA 1.188 56.039 54.840 0.018 0.000 0.859 112 L CB 1.729 43.776 42.059 -0.021 0.000 1.313 112 L HN 2.258 nan 8.230 nan 0.000 0.406 113 G N 1.443 110.377 108.800 0.222 0.000 2.353 113 G HA2 0.145 4.161 3.960 0.093 0.000 0.424 113 G HA3 0.145 4.161 3.960 0.093 0.000 0.424 113 G C 0.336 175.350 174.900 0.190 0.000 1.320 113 G CA 0.101 45.324 45.100 0.204 0.000 0.995 113 G HN 1.110 nan 8.290 nan 0.000 0.580 114 S N -0.612 115.155 115.700 0.111 0.000 2.383 114 S HA -0.136 4.390 4.470 0.093 0.000 0.229 114 S C 1.759 176.370 174.600 0.018 0.000 1.030 114 S CA 2.400 60.635 58.200 0.057 0.000 1.002 114 S CB -0.299 62.921 63.200 0.033 0.000 0.829 114 S HN 0.677 nan 8.310 nan 0.000 0.467 115 E N 0.724 120.909 120.200 -0.024 0.000 2.204 115 E HA 0.071 4.477 4.350 0.093 0.000 0.195 115 E C 1.348 177.703 176.600 -0.409 0.000 0.990 115 E CA 1.270 57.519 56.400 -0.251 0.000 0.821 115 E CB -0.356 29.097 29.700 -0.412 0.000 0.750 115 E HN 0.786 nan 8.360 nan 0.000 0.477 116 F N -1.717 118.260 119.950 0.046 0.000 2.500 116 F HA 0.091 4.681 4.527 0.105 0.000 0.285 116 F C 1.877 177.674 175.800 -0.005 0.000 1.088 116 F CA 0.033 58.049 58.000 0.027 0.000 1.432 116 F CB -0.055 38.977 39.000 0.055 0.000 1.131 116 F HN 0.013 nan 8.300 nan 0.000 0.582 117 c N 0.285 119.005 118.600 0.200 0.000 2.485 117 c HA 0.266 4.892 4.570 0.093 0.000 0.277 117 c C 2.192 176.310 174.090 0.045 0.000 1.376 117 c CA 0.074 56.468 56.329 0.109 0.000 1.759 117 c CB -1.641 40.932 42.510 0.105 0.000 1.970 117 c HN 0.461 nan 8.230 nan 0.000 0.509 118 G N 0.329 109.143 108.800 0.023 0.000 2.443 118 G HA2 0.378 4.394 3.960 0.093 0.000 0.286 118 G HA3 0.378 4.394 3.960 0.093 0.000 0.286 118 G C 0.492 175.370 174.900 -0.037 0.000 1.393 118 G CA 0.308 45.403 45.100 -0.007 0.000 1.080 118 G HN 0.590 nan 8.290 nan 0.000 0.566 119 G N -2.108 106.666 108.800 -0.043 0.000 2.321 119 G HA2 0.481 4.497 3.960 0.093 0.000 0.237 119 G HA3 0.481 4.497 3.960 0.093 0.000 0.237 119 G C 1.277 176.103 174.900 -0.123 0.000 1.282 119 G CA 0.769 45.832 45.100 -0.061 0.000 0.886 119 G HN 2.027 nan 8.290 nan 0.000 0.528 120 G N 0.368 109.089 108.800 -0.133 0.000 2.268 120 G HA2 -0.304 3.712 3.960 0.093 0.000 0.240 120 G HA3 -0.304 3.712 3.960 0.093 0.000 0.240 120 G C 1.214 176.002 174.900 -0.187 0.000 1.010 120 G CA 0.636 45.609 45.100 -0.212 0.000 0.618 120 G HN 1.764 nan 8.290 nan 0.000 0.516 121 c N 2.167 120.690 118.600 -0.127 0.000 2.155 121 c HA 0.251 4.877 4.570 0.093 0.000 0.396 121 c C 2.146 176.199 174.090 -0.062 0.000 1.545 121 c CA 1.517 57.804 56.329 -0.070 0.000 1.442 121 c CB -0.351 42.151 42.510 -0.015 0.000 2.553 121 c HN 0.660 nan 8.230 nan 0.000 0.598 122 Q N 3.160 122.925 119.800 -0.059 0.000 2.204 122 Q HA 0.122 4.518 4.340 0.093 0.000 0.198 122 Q C 0.857 176.838 176.000 -0.032 0.000 0.946 122 Q CA 1.165 56.936 55.803 -0.053 0.000 0.859 122 Q CB 0.107 28.808 28.738 -0.061 0.000 0.946 122 Q HN 0.941 nan 8.270 nan 0.000 0.474 123 S N -1.842 113.849 115.700 -0.015 0.000 2.595 123 S HA 0.658 5.184 4.470 0.093 0.000 0.270 123 S C -0.164 174.442 174.600 0.010 0.000 1.145 123 S CA -0.302 57.882 58.200 -0.026 0.000 0.825 123 S CB 1.627 64.792 63.200 -0.059 0.000 1.107 123 S HN 0.538 nan 8.310 nan 0.000 0.461 124 G N 0.764 109.573 108.800 0.015 0.000 2.548 124 G HA2 0.394 4.410 3.960 0.093 0.000 0.208 124 G HA3 0.394 4.410 3.960 0.093 0.000 0.208 124 G C 0.389 175.409 174.900 0.201 0.000 1.308 124 G CA -0.190 44.971 45.100 0.102 0.000 0.924 124 G HN 2.126 nan 8.290 nan 0.000 0.540 125 A N -0.569 122.341 122.820 0.151 0.000 2.478 125 A HA 0.442 4.818 4.320 0.093 0.000 0.239 125 A C 1.288 178.909 177.584 0.063 0.000 1.480 125 A CA 1.034 53.124 52.037 0.087 0.000 1.308 125 A CB -1.407 17.619 19.000 0.044 0.000 0.899 125 A HN 1.600 nan 8.150 nan 0.000 0.600 126 c N 0.814 119.462 118.600 0.080 0.000 2.563 126 c HA 0.164 4.790 4.570 0.093 0.000 0.411 126 c C 2.023 176.136 174.090 0.037 0.000 1.386 126 c CA 0.762 57.125 56.329 0.056 0.000 1.703 126 c CB -0.193 42.348 42.510 0.051 0.000 2.596 126 c HN 0.819 nan 8.230 nan 0.000 0.605 127 S N 0.017 115.736 115.700 0.032 0.000 2.597 127 S HA -0.015 4.511 4.470 0.093 0.000 0.224 127 S C 0.957 175.570 174.600 0.022 0.000 0.955 127 S CA 0.335 58.549 58.200 0.024 0.000 0.933 127 S CB -0.434 62.783 63.200 0.027 0.000 0.788 127 S HN 0.937 nan 8.310 nan 0.000 0.488 128 T N -1.557 113.010 114.554 0.020 0.000 3.278 128 T HA 0.156 4.562 4.350 0.093 0.000 0.251 128 T C 0.393 175.107 174.700 0.024 0.000 1.039 128 T CA -0.034 62.076 62.100 0.017 0.000 0.935 128 T CB -0.709 68.162 68.868 0.007 0.000 1.034 128 T HN 0.201 nan 8.240 nan 0.000 0.575 129 D N 2.152 122.570 120.400 0.030 0.000 2.919 129 D HA -0.171 4.525 4.640 0.093 0.000 0.215 129 D C -0.009 176.319 176.300 0.048 0.000 1.184 129 D CA 0.788 54.814 54.000 0.043 0.000 0.598 129 D CB -0.968 39.863 40.800 0.053 0.000 1.054 129 D HN 0.636 nan 8.370 nan 0.000 0.406 130 K N 0.895 121.319 120.400 0.041 0.000 2.469 130 K HA 0.126 4.502 4.320 0.093 0.000 0.274 130 K C -1.922 174.711 176.600 0.055 0.000 0.983 130 K CA -0.783 55.527 56.287 0.039 0.000 0.974 130 K CB 0.310 32.827 32.500 0.027 0.000 0.913 130 K HN 0.229 nan 8.250 nan 0.000 0.493 131 P HA 0.159 nan 4.420 nan 0.000 0.281 131 P C -0.526 176.809 177.300 0.058 0.000 1.249 131 P CA -0.619 62.519 63.100 0.064 0.000 0.810 131 P CB 0.878 32.610 31.700 0.052 0.000 1.008 132 c N -1.183 117.459 118.600 0.070 0.000 3.235 132 c HA 1.004 5.630 4.570 0.093 0.000 0.351 132 c C 0.544 174.673 174.090 0.065 0.000 1.520 132 c CA 0.180 56.547 56.329 0.062 0.000 1.474 132 c CB 0.798 43.351 42.510 0.072 0.000 2.019 132 c HN 0.967 nan 8.230 nan 0.000 0.446 133 G N -0.693 108.141 108.800 0.056 0.000 2.610 133 G HA2 0.372 4.388 3.960 0.093 0.000 0.304 133 G HA3 0.372 4.388 3.960 0.093 0.000 0.304 133 G C 0.353 175.279 174.900 0.042 0.000 1.309 133 G CA 0.603 45.735 45.100 0.054 0.000 0.906 133 G HN 2.006 nan 8.290 nan 0.000 0.521 134 K N -0.900 119.525 120.400 0.041 0.000 2.209 134 K HA -0.030 4.346 4.320 0.093 0.000 0.204 134 K C 2.074 178.692 176.600 0.030 0.000 1.048 134 K CA 2.414 58.720 56.287 0.032 0.000 0.940 134 K CB -0.610 31.909 32.500 0.033 0.000 0.729 134 K HN 0.607 nan 8.250 nan 0.000 0.451 135 D N -0.247 120.176 120.400 0.039 0.000 2.178 135 D HA 0.033 4.728 4.640 0.093 0.000 0.202 135 D C 1.232 177.551 176.300 0.032 0.000 0.974 135 D CA 1.472 55.494 54.000 0.037 0.000 0.841 135 D CB 0.141 40.973 40.800 0.053 0.000 0.953 135 D HN 0.486 nan 8.370 nan 0.000 0.478 136 A N -0.520 122.321 122.820 0.034 0.000 2.793 136 A HA 0.533 4.909 4.320 0.093 0.000 0.301 136 A C 1.101 178.699 177.584 0.022 0.000 1.172 136 A CA 0.247 52.301 52.037 0.029 0.000 0.973 136 A CB -0.170 18.851 19.000 0.036 0.000 1.164 136 A HN 0.089 nan 8.150 nan 0.000 0.542 137 G N -0.317 108.495 108.800 0.019 0.000 2.323 137 G HA2 0.139 4.155 3.960 0.093 0.000 0.292 137 G HA3 0.139 4.155 3.960 0.093 0.000 0.292 137 G C 1.287 176.196 174.900 0.015 0.000 1.040 137 G CA 0.547 45.656 45.100 0.015 0.000 0.942 137 G HN 2.191 nan 8.290 nan 0.000 0.506 138 G N -1.008 107.803 108.800 0.019 0.000 2.366 138 G HA2 0.002 4.018 3.960 0.093 0.000 0.299 138 G HA3 0.002 4.018 3.960 0.093 0.000 0.299 138 G C 0.348 175.258 174.900 0.018 0.000 1.020 138 G CA 1.312 46.424 45.100 0.019 0.000 1.026 138 G HN 2.181 nan 8.290 nan 0.000 0.512 139 R N -0.947 119.566 120.500 0.021 0.000 2.407 139 R HA 0.721 5.117 4.340 0.093 0.000 0.303 139 R C 0.175 176.489 176.300 0.024 0.000 0.981 139 R CA -0.390 55.721 56.100 0.018 0.000 0.905 139 R CB 1.852 32.162 30.300 0.016 0.000 1.099 139 R HN 0.932 nan 8.270 nan 0.000 0.459 140 V N 1.693 121.617 119.914 0.017 0.000 2.612 140 V HA 0.536 4.712 4.120 0.093 0.000 0.301 140 V C 0.224 176.327 176.094 0.015 0.000 1.046 140 V CA -1.006 61.305 62.300 0.019 0.000 0.946 140 V CB 0.927 32.755 31.823 0.008 0.000 1.003 140 V HN 0.976 nan 8.190 nan 0.000 0.459 141 c N 3.694 122.311 118.600 0.028 0.000 2.705 141 c HA 0.550 5.176 4.570 0.093 0.000 0.348 141 c C 1.342 175.405 174.090 -0.045 0.000 1.386 141 c CA 0.377 56.723 56.329 0.029 0.000 2.361 141 c CB 0.128 42.700 42.510 0.104 0.000 2.486 141 c HN 1.184 nan 8.230 nan 0.000 0.728 142 T N -1.480 113.010 114.554 -0.108 0.000 2.927 142 T HA 0.401 4.806 4.350 0.093 0.000 0.281 142 T C 0.138 174.533 174.700 -0.509 0.000 0.998 142 T CA -0.307 61.664 62.100 -0.214 0.000 1.019 142 T CB 0.496 69.266 68.868 -0.163 0.000 1.061 142 T HN 0.767 nan 8.240 nan 0.000 0.518 143 N N 0.247 118.652 118.700 -0.492 0.000 2.778 143 N HA -0.248 4.548 4.740 0.093 0.000 0.249 143 N C 0.355 175.599 175.510 -0.445 0.000 1.069 143 N CA 1.117 53.789 53.050 -0.631 0.000 0.831 143 N CB -1.952 35.769 38.487 -1.278 0.000 1.142 143 N HN 0.983 nan 8.380 nan 0.000 0.573 144 N N -2.325 116.213 118.700 -0.271 0.000 2.747 144 N HA -0.228 4.568 4.740 0.093 0.000 0.249 144 N C -0.983 174.537 175.510 0.016 0.000 1.107 144 N CA 0.847 53.841 53.050 -0.093 0.000 0.707 144 N CB -1.054 37.396 38.487 -0.062 0.000 1.054 144 N HN 0.464 nan 8.380 nan 0.000 0.555 145 Y N -0.305 119.975 120.300 -0.034 0.000 2.385 145 Y HA 0.183 4.786 4.550 0.089 0.000 0.346 145 Y C 1.449 177.332 175.900 -0.029 0.000 1.270 145 Y CA -1.043 57.026 58.100 -0.053 0.000 1.472 145 Y CB 0.353 38.761 38.460 -0.087 0.000 1.354 145 Y HN 0.108 nan 8.280 nan 0.000 0.611 146 c N 1.745 120.434 118.600 0.149 0.000 2.499 146 c HA 0.227 4.853 4.570 0.093 0.000 0.386 146 c C 0.587 174.753 174.090 0.126 0.000 1.293 146 c CA -1.191 55.204 56.329 0.110 0.000 1.884 146 c CB -0.601 41.976 42.510 0.111 0.000 2.509 146 c HN 0.847 nan 8.230 nan 0.000 0.566 147 c N 6.104 124.772 118.600 0.113 0.000 2.227 147 c HA 0.472 5.098 4.570 0.093 0.000 0.333 147 c C 1.129 175.285 174.090 0.110 0.000 1.145 147 c CA -0.274 56.126 56.329 0.118 0.000 1.643 147 c CB -1.756 40.806 42.510 0.087 0.000 2.185 147 c HN 1.072 nan 8.230 nan 0.000 0.497 148 S N 4.934 120.721 115.700 0.146 0.000 2.606 148 S HA 0.147 4.673 4.470 0.093 0.000 0.257 148 S C 1.281 175.890 174.600 0.016 0.000 1.327 148 S CA -0.133 58.086 58.200 0.031 0.000 0.984 148 S CB 0.552 63.714 63.200 -0.063 0.000 0.941 148 S HN 0.886 nan 8.310 nan 0.000 0.576 149 K N -0.762 119.584 120.400 -0.090 0.000 2.360 149 K HA -0.066 4.310 4.320 0.093 0.000 0.201 149 K C 0.341 177.102 176.600 0.269 0.000 1.046 149 K CA 0.942 57.241 56.287 0.019 0.000 0.945 149 K CB -0.220 32.273 32.500 -0.013 0.000 0.750 149 K HN 0.703 nan 8.250 nan 0.000 0.464 150 W N 1.480 122.778 121.300 -0.004 0.000 3.330 150 W HA 0.345 5.061 4.660 0.093 0.000 0.348 150 W C 0.462 176.994 176.519 0.022 0.000 1.205 150 W CA -0.216 57.129 57.345 0.000 0.000 1.841 150 W CB -0.508 28.941 29.460 -0.018 0.000 1.084 150 W HN 0.364 nan 8.180 nan 0.000 0.665 151 G N 1.733 110.676 108.800 0.238 0.000 2.333 151 G HA2 -0.169 3.847 3.960 0.093 0.000 0.296 151 G HA3 -0.169 3.847 3.960 0.093 0.000 0.296 151 G C -0.052 174.952 174.900 0.175 0.000 1.059 151 G CA 0.471 45.670 45.100 0.164 0.000 1.050 151 G HN 0.089 nan 8.290 nan 0.000 0.508 152 S N -1.260 114.567 115.700 0.212 0.000 2.536 152 S HA 0.613 5.138 4.470 0.093 0.000 0.287 152 S C 0.263 175.008 174.600 0.242 0.000 1.101 152 S CA -0.458 57.885 58.200 0.239 0.000 0.950 152 S CB 1.611 65.002 63.200 0.318 0.000 1.056 152 S HN 0.666 nan 8.310 nan 0.000 0.481 153 c N 2.883 121.556 118.600 0.122 0.000 2.435 153 c HA 0.919 5.544 4.570 0.093 0.000 0.375 153 c C 1.034 174.911 174.090 -0.355 0.000 1.281 153 c CA -0.177 56.155 56.329 0.004 0.000 1.963 153 c CB -0.391 42.175 42.510 0.093 0.000 2.490 153 c HN 1.033 nan 8.230 nan 0.000 0.557 154 G N 2.373 110.790 108.800 -0.639 0.000 2.349 154 G HA2 0.561 4.577 3.960 0.093 0.000 0.294 154 G HA3 0.561 4.577 3.960 0.093 0.000 0.294 154 G C -1.887 172.495 174.900 -0.863 0.000 1.380 154 G CA -0.516 43.754 45.100 -1.384 0.000 0.811 154 G HN 0.598 nan 8.290 nan 0.000 0.519 155 I N 0.585 120.729 120.570 -0.711 0.000 2.499 155 I HA 0.719 4.945 4.170 0.093 0.000 0.288 155 I C 0.406 176.500 176.117 -0.038 0.000 1.048 155 I CA -0.135 61.020 61.300 -0.241 0.000 1.062 155 I CB 1.913 39.784 38.000 -0.216 0.000 1.238 155 I HN 1.372 nan 8.210 nan 0.000 0.426 156 G N 6.680 115.533 108.800 0.088 0.000 2.368 156 G HA2 0.072 4.087 3.960 0.093 0.000 0.302 156 G HA3 0.072 4.087 3.960 0.093 0.000 0.302 156 G C -2.893 172.062 174.900 0.091 0.000 1.329 156 G CA -0.537 44.632 45.100 0.115 0.000 0.935 156 G HN 0.321 nan 8.290 nan 0.000 0.590 157 P HA -0.043 nan 4.420 nan 0.000 0.215 157 P C 1.972 179.228 177.300 -0.074 0.000 1.157 157 P CA 2.245 65.332 63.100 -0.021 0.000 0.863 157 P CB -0.215 31.466 31.700 -0.032 0.000 0.787 158 G N -1.331 107.385 108.800 -0.139 0.000 2.432 158 G HA2 -0.232 3.784 3.960 0.093 0.000 0.219 158 G HA3 -0.232 3.784 3.960 0.093 0.000 0.219 158 G C 1.283 175.950 174.900 -0.388 0.000 1.135 158 G CA 0.595 45.498 45.100 -0.329 0.000 0.767 158 G HN 0.258 nan 8.290 nan 0.000 0.550 159 Y N -0.506 119.717 120.300 -0.128 0.000 2.266 159 Y HA 0.095 4.702 4.550 0.095 0.000 0.294 159 Y C 2.867 178.723 175.900 -0.074 0.000 1.127 159 Y CA 0.555 58.593 58.100 -0.103 0.000 1.140 159 Y CB -0.343 38.068 38.460 -0.081 0.000 1.071 159 Y HN 0.141 nan 8.280 nan 0.000 0.525 160 c N 0.379 119.046 118.600 0.112 0.000 2.562 160 c HA 0.256 4.882 4.570 0.093 0.000 0.266 160 c C 2.032 176.128 174.090 0.011 0.000 1.382 160 c CA 0.112 56.475 56.329 0.055 0.000 1.742 160 c CB -1.735 40.805 42.510 0.051 0.000 1.812 160 c HN 0.598 nan 8.230 nan 0.000 0.559 161 G N 0.538 109.326 108.800 -0.020 0.000 2.608 161 G HA2 0.433 4.449 3.960 0.093 0.000 0.212 161 G HA3 0.433 4.449 3.960 0.093 0.000 0.212 161 G C 0.207 175.079 174.900 -0.047 0.000 1.572 161 G CA 0.396 45.470 45.100 -0.042 0.000 1.064 161 G HN 0.565 nan 8.290 nan 0.000 0.556 162 A N -1.734 121.047 122.820 -0.065 0.000 2.450 162 A HA 0.522 4.897 4.320 0.093 0.000 0.255 162 A C 1.385 178.925 177.584 -0.074 0.000 1.096 162 A CA 1.102 53.105 52.037 -0.058 0.000 0.778 162 A CB -0.327 18.639 19.000 -0.057 0.000 1.031 162 A HN 2.428 nan 8.150 nan 0.000 0.494 163 G N 0.507 109.281 108.800 -0.043 0.000 2.175 163 G HA2 -0.243 3.773 3.960 0.093 0.000 0.244 163 G HA3 -0.243 3.773 3.960 0.093 0.000 0.244 163 G C 0.638 175.525 174.900 -0.022 0.000 0.982 163 G CA 0.225 45.305 45.100 -0.034 0.000 0.641 163 G HN 1.745 nan 8.290 nan 0.000 0.527 164 c N 1.646 120.234 118.600 -0.020 0.000 2.648 164 c HA 0.466 5.092 4.570 0.093 0.000 0.406 164 c C 2.074 176.176 174.090 0.020 0.000 1.406 164 c CA 0.835 57.168 56.329 0.006 0.000 1.610 164 c CB -0.370 42.147 42.510 0.012 0.000 2.451 164 c HN 0.634 nan 8.230 nan 0.000 0.608 165 Q N 3.195 123.015 119.800 0.033 0.000 2.137 165 Q HA 0.066 4.462 4.340 0.093 0.000 0.198 165 Q C 0.978 176.998 176.000 0.033 0.000 0.960 165 Q CA 1.309 57.133 55.803 0.035 0.000 0.847 165 Q CB 0.106 28.872 28.738 0.046 0.000 0.915 165 Q HN 0.944 nan 8.270 nan 0.000 0.448 166 S N -2.522 113.201 115.700 0.039 0.000 2.655 166 S HA 0.699 5.225 4.470 0.093 0.000 0.266 166 S C -0.109 174.517 174.600 0.043 0.000 1.149 166 S CA -0.488 57.732 58.200 0.034 0.000 0.818 166 S CB 1.413 64.631 63.200 0.030 0.000 1.130 166 S HN 0.504 nan 8.310 nan 0.000 0.476 167 G N 0.119 108.940 108.800 0.035 0.000 2.451 167 G HA2 0.308 4.323 3.960 0.093 0.000 0.208 167 G HA3 0.308 4.323 3.960 0.093 0.000 0.208 167 G C 0.343 175.265 174.900 0.037 0.000 1.248 167 G CA 0.011 45.137 45.100 0.043 0.000 0.989 167 G HN 2.048 nan 8.290 nan 0.000 0.559 168 G N -0.376 108.453 108.800 0.049 0.000 3.581 168 G HA2 0.418 4.434 3.960 0.093 0.000 0.255 168 G HA3 0.418 4.434 3.960 0.093 0.000 0.255 168 G C 0.648 175.570 174.900 0.036 0.000 1.121 168 G CA 0.679 45.802 45.100 0.038 0.000 1.739 168 G HN 1.165 nan 8.290 nan 0.000 0.646 169 c N 1.782 120.401 118.600 0.031 0.000 2.601 169 c HA 0.011 4.637 4.570 0.093 0.000 0.405 169 c C 0.630 174.729 174.090 0.016 0.000 1.441 169 c CA -1.142 55.202 56.329 0.025 0.000 1.555 169 c CB -0.567 41.955 42.510 0.020 0.000 2.450 169 c HN 0.541 nan 8.230 nan 0.000 0.614 170 D N 2.588 122.996 120.400 0.013 0.000 2.531 170 D HA 0.257 4.953 4.640 0.093 0.000 0.239 170 D C 0.549 176.851 176.300 0.002 0.000 1.144 170 D CA 1.059 55.062 54.000 0.006 0.000 0.869 170 D CB 0.853 41.653 40.800 0.001 0.000 1.160 170 D HN 0.808 nan 8.370 nan 0.000 0.484 171 G N 0.000 108.801 108.800 0.002 0.000 5.446 171 G HA2 0.000 4.016 3.960 0.093 0.000 0.244 171 G HA3 0.000 4.016 3.960 0.093 0.000 0.244 171 G CA 0.000 45.100 45.100 0.001 0.000 0.502 171 G HN 0.000 nan 8.290 nan 0.000 0.925