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 2cwg_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 0.000 176.232 176.300 -0.113 0.000 0.893 2 R CA 0.000 55.981 56.100 -0.198 0.000 0.921 2 R CB 0.000 30.152 30.300 -0.246 0.000 0.687 3 c N -1.498 117.032 118.600 -0.116 0.000 2.822 3 c HA 0.975 5.547 4.570 0.004 0.000 0.341 3 c C 1.066 175.117 174.090 -0.065 0.000 1.301 3 c CA 0.346 56.638 56.329 -0.062 0.000 1.706 3 c CB 0.992 43.482 42.510 -0.033 0.000 2.178 3 c HN 1.302 nan 8.230 nan 0.000 0.481 4 G N 0.597 109.371 108.800 -0.044 0.000 2.598 4 G HA2 -0.219 3.744 3.960 0.004 0.000 0.244 4 G HA3 -0.219 3.744 3.960 0.004 0.000 0.244 4 G C 0.405 175.278 174.900 -0.045 0.000 1.302 4 G CA 0.978 46.052 45.100 -0.043 0.000 0.903 4 G HN 1.249 nan 8.290 nan 0.000 0.575 5 E N -0.488 119.684 120.200 -0.046 0.000 2.130 5 E HA -0.166 4.186 4.350 0.004 0.000 0.196 5 E C 2.585 179.158 176.600 -0.043 0.000 0.998 5 E CA 2.558 58.934 56.400 -0.040 0.000 0.806 5 E CB -0.193 29.483 29.700 -0.042 0.000 0.738 5 E HN 0.549 nan 8.360 nan 0.000 0.459 6 Q N -1.447 118.317 119.800 -0.060 0.000 2.297 6 Q HA 0.092 4.434 4.340 0.004 0.000 0.204 6 Q C 1.021 176.982 176.000 -0.066 0.000 0.962 6 Q CA 1.265 57.028 55.803 -0.067 0.000 0.879 6 Q CB 0.413 29.091 28.738 -0.100 0.000 0.947 6 Q HN 0.251 nan 8.270 nan 0.000 0.462 7 G N -1.256 107.507 108.800 -0.062 0.000 4.637 7 G HA2 0.289 4.252 3.960 0.004 0.000 0.294 7 G HA3 0.289 4.252 3.960 0.004 0.000 0.294 7 G C -0.503 174.378 174.900 -0.031 0.000 1.215 7 G CA -0.363 44.707 45.100 -0.050 0.000 0.943 7 G HN 0.006 nan 8.290 nan 0.000 0.572 8 S N 0.203 115.888 115.700 -0.025 0.000 3.614 8 S HA -0.236 4.237 4.470 0.004 0.000 0.360 8 S C 1.009 175.600 174.600 -0.014 0.000 1.023 8 S CA 1.056 59.247 58.200 -0.016 0.000 1.114 8 S CB -1.811 61.384 63.200 -0.009 0.000 0.907 8 S HN 1.008 nan 8.310 nan 0.000 0.470 9 N N -2.463 116.225 118.700 -0.020 0.000 2.782 9 N HA -0.204 4.539 4.740 0.004 0.000 0.251 9 N C -0.130 175.371 175.510 -0.015 0.000 1.101 9 N CA 0.850 53.889 53.050 -0.017 0.000 0.764 9 N CB -0.677 37.803 38.487 -0.011 0.000 1.122 9 N HN 0.452 nan 8.380 nan 0.000 0.561 10 M N 1.594 121.183 119.600 -0.018 0.000 2.249 10 M HA 0.124 4.606 4.480 0.004 0.000 0.340 10 M C 0.544 176.836 176.300 -0.014 0.000 1.166 10 M CA 0.976 56.267 55.300 -0.015 0.000 1.115 10 M CB 0.408 32.997 32.600 -0.019 0.000 1.606 10 M HN 0.020 nan 8.290 nan 0.000 0.448 11 E N 1.269 121.465 120.200 -0.007 0.000 2.222 11 E HA 0.410 4.762 4.350 0.004 0.000 0.267 11 E C -1.001 175.598 176.600 -0.002 0.000 0.963 11 E CA -0.879 55.519 56.400 -0.003 0.000 0.837 11 E CB 1.277 30.980 29.700 0.005 0.000 1.183 11 E HN 0.633 nan 8.360 nan 0.000 0.403 12 c N 2.719 121.318 118.600 -0.002 0.000 2.459 12 c HA 0.396 4.968 4.570 0.004 0.000 0.374 12 c C -1.795 172.294 174.090 -0.003 0.000 1.241 12 c CA -1.303 55.022 56.329 -0.007 0.000 2.352 12 c CB -0.289 42.210 42.510 -0.018 0.000 2.490 12 c HN 0.604 nan 8.230 nan 0.000 0.583 13 P HA 0.130 nan 4.420 nan 0.000 0.272 13 P C -0.477 176.819 177.300 -0.007 0.000 1.230 13 P CA 0.194 63.290 63.100 -0.006 0.000 0.788 13 P CB 0.147 31.842 31.700 -0.009 0.000 0.949 14 N N 1.292 119.990 118.700 -0.003 0.000 2.716 14 N HA -0.241 4.501 4.740 0.004 0.000 0.250 14 N C -0.113 175.402 175.510 0.008 0.000 1.033 14 N CA 0.755 53.802 53.050 -0.004 0.000 0.727 14 N CB -1.597 36.882 38.487 -0.013 0.000 0.950 14 N HN 0.480 nan 8.380 nan 0.000 0.541 15 N N -3.386 115.330 118.700 0.027 0.000 2.878 15 N HA -0.185 4.557 4.740 0.004 0.000 0.247 15 N C -0.611 174.913 175.510 0.023 0.000 1.021 15 N CA 0.766 53.845 53.050 0.049 0.000 0.873 15 N CB -0.839 37.694 38.487 0.076 0.000 1.128 15 N HN 0.309 nan 8.380 nan 0.000 0.571 16 L N 1.139 122.358 121.223 -0.007 0.000 2.461 16 L HA 0.086 4.428 4.340 0.004 0.000 0.272 16 L C 0.960 177.812 176.870 -0.030 0.000 1.197 16 L CA 0.102 54.918 54.840 -0.040 0.000 0.836 16 L CB 0.443 42.454 42.059 -0.080 0.000 1.105 16 L HN 0.181 nan 8.230 nan 0.000 0.477 17 c N 1.596 120.172 118.600 -0.039 0.000 2.644 17 c HA 0.188 4.760 4.570 0.004 0.000 0.417 17 c C 0.630 174.738 174.090 0.030 0.000 1.304 17 c CA -1.155 55.166 56.329 -0.013 0.000 2.035 17 c CB 0.006 42.497 42.510 -0.032 0.000 2.673 17 c HN 0.857 nan 8.230 nan 0.000 0.602 18 c N 5.054 123.675 118.600 0.035 0.000 2.239 18 c HA 0.553 5.125 4.570 0.004 0.000 0.325 18 c C 0.967 175.105 174.090 0.080 0.000 1.231 18 c CA -0.314 56.054 56.329 0.065 0.000 1.652 18 c CB -1.310 41.208 42.510 0.013 0.000 2.284 18 c HN 1.086 nan 8.230 nan 0.000 0.499 19 S N 4.462 120.272 115.700 0.183 0.000 2.608 19 S HA 0.107 4.580 4.470 0.004 0.000 0.261 19 S C 1.171 175.751 174.600 -0.033 0.000 1.314 19 S CA 0.163 58.411 58.200 0.080 0.000 0.992 19 S CB 0.594 63.866 63.200 0.120 0.000 0.935 19 S HN 0.900 nan 8.310 nan 0.000 0.564 20 Q N -0.350 119.348 119.800 -0.171 0.000 2.368 20 Q HA -0.155 4.187 4.340 0.004 0.000 0.210 20 Q C 0.689 176.415 176.000 -0.457 0.000 0.982 20 Q CA 1.612 57.212 55.803 -0.339 0.000 0.884 20 Q CB -0.723 27.746 28.738 -0.447 0.000 0.933 20 Q HN 0.862 nan 8.270 nan 0.000 0.460 21 Y N 0.370 120.694 120.300 0.041 0.000 2.482 21 Y HA 0.301 4.853 4.550 0.003 0.000 0.270 21 Y C 1.452 177.321 175.900 -0.051 0.000 1.152 21 Y CA 0.243 58.397 58.100 0.090 0.000 1.292 21 Y CB 0.695 39.309 38.460 0.257 0.000 1.070 21 Y HN 0.296 nan 8.280 nan 0.000 0.528 22 G N -0.665 108.119 108.800 -0.028 0.000 2.142 22 G HA2 -0.279 3.683 3.960 0.004 0.000 0.225 22 G HA3 -0.279 3.683 3.960 0.004 0.000 0.225 22 G C -0.601 174.071 174.900 -0.381 0.000 1.015 22 G CA -0.369 44.604 45.100 -0.211 0.000 0.716 22 G HN 0.310 nan 8.290 nan 0.000 0.508 23 Y N -1.199 119.199 120.300 0.164 0.000 2.524 23 Y HA 0.650 5.202 4.550 0.003 0.000 0.344 23 Y C 0.897 176.907 175.900 0.184 0.000 1.012 23 Y CA -1.149 57.062 58.100 0.186 0.000 1.068 23 Y CB 1.524 40.139 38.460 0.258 0.000 1.249 23 Y HN 0.253 nan 8.280 nan 0.000 0.468 24 c N 1.695 120.404 118.600 0.182 0.000 2.350 24 c HA 0.935 5.507 4.570 0.004 0.000 0.348 24 c C 0.801 174.636 174.090 -0.425 0.000 1.260 24 c CA -0.120 56.184 56.329 -0.042 0.000 1.966 24 c CB 0.020 42.503 42.510 -0.045 0.000 2.380 24 c HN 1.037 nan 8.230 nan 0.000 0.535 25 G N 2.163 110.519 108.800 -0.740 0.000 2.341 25 G HA2 0.585 4.547 3.960 0.004 0.000 0.299 25 G HA3 0.585 4.547 3.960 0.004 0.000 0.299 25 G C -1.868 172.629 174.900 -0.672 0.000 1.274 25 G CA -0.409 43.973 45.100 -1.196 0.000 0.853 25 G HN 0.597 nan 8.290 nan 0.000 0.493 26 M N -0.319 119.023 119.600 -0.431 0.000 2.531 26 M HA 0.794 5.276 4.480 0.004 0.000 0.286 26 M C 0.008 176.400 176.300 0.153 0.000 1.232 26 M CA 0.776 56.051 55.300 -0.042 0.000 0.877 26 M CB 1.665 34.249 32.600 -0.027 0.000 1.726 26 M HN 2.658 nan 8.290 nan 0.000 0.463 27 G N 1.552 110.448 108.800 0.160 0.000 2.462 27 G HA2 0.164 4.126 3.960 0.004 0.000 0.685 27 G HA3 0.164 4.126 3.960 0.004 0.000 0.685 27 G C 0.154 175.022 174.900 -0.053 0.000 1.295 27 G CA -0.242 44.978 45.100 0.200 0.000 0.941 27 G HN 1.457 nan 8.290 nan 0.000 0.554 28 G N -1.044 107.747 108.800 -0.015 0.000 2.509 28 G HA2 0.113 4.075 3.960 0.004 0.000 0.218 28 G HA3 0.113 4.075 3.960 0.004 0.000 0.218 28 G C 1.046 175.806 174.900 -0.232 0.000 1.124 28 G CA 1.755 46.703 45.100 -0.252 0.000 0.776 28 G HN 0.626 nan 8.290 nan 0.000 0.547 29 D N -0.747 119.546 120.400 -0.179 0.000 2.249 29 D HA 0.022 4.665 4.640 0.004 0.000 0.205 29 D C 1.496 177.519 176.300 -0.462 0.000 0.962 29 D CA 0.649 54.470 54.000 -0.298 0.000 0.860 29 D CB 0.139 40.712 40.800 -0.379 0.000 0.955 29 D HN 0.435 nan 8.370 nan 0.000 0.505 30 Y N -0.532 119.677 120.300 -0.152 0.000 2.464 30 Y HA 0.076 4.629 4.550 0.004 0.000 0.288 30 Y C 2.432 178.170 175.900 -0.270 0.000 1.133 30 Y CA 0.229 58.244 58.100 -0.142 0.000 1.223 30 Y CB -0.170 38.229 38.460 -0.103 0.000 1.187 30 Y HN -0.016 nan 8.280 nan 0.000 0.539 31 c N -0.286 118.092 118.600 -0.369 0.000 2.590 31 c HA 0.357 4.930 4.570 0.004 0.000 0.272 31 c C 2.030 175.618 174.090 -0.838 0.000 1.338 31 c CA 0.119 56.008 56.329 -0.734 0.000 1.746 31 c CB -1.311 40.454 42.510 -1.242 0.000 2.020 31 c HN 0.546 nan 8.230 nan 0.000 0.531 32 G N 0.493 108.859 108.800 -0.724 0.000 2.481 32 G HA2 0.138 4.101 3.960 0.004 0.000 0.251 32 G HA3 0.138 4.101 3.960 0.004 0.000 0.251 32 G C 0.034 174.859 174.900 -0.126 0.000 1.492 32 G CA -0.379 44.541 45.100 -0.299 0.000 1.060 32 G HN 0.445 nan 8.290 nan 0.000 0.553 33 K N 0.274 120.654 120.400 -0.033 0.000 2.524 33 K HA 0.194 4.517 4.320 0.004 0.000 0.279 33 K C 1.137 177.695 176.600 -0.070 0.000 0.993 33 K CA 1.039 57.314 56.287 -0.021 0.000 1.030 33 K CB -0.247 32.252 32.500 -0.003 0.000 0.891 33 K HN 1.302 nan 8.250 nan 0.000 0.488 34 G N 2.928 111.690 108.800 -0.063 0.000 2.162 34 G HA2 -0.315 3.647 3.960 0.004 0.000 0.260 34 G HA3 -0.315 3.647 3.960 0.004 0.000 0.260 34 G C 0.381 175.225 174.900 -0.093 0.000 0.976 34 G CA 0.159 45.205 45.100 -0.090 0.000 0.655 34 G HN 0.831 nan 8.290 nan 0.000 0.533 35 c N 0.637 119.187 118.600 -0.083 0.000 2.596 35 c HA 0.449 5.021 4.570 0.004 0.000 0.414 35 c C 1.969 176.030 174.090 -0.049 0.000 1.396 35 c CA 0.982 57.267 56.329 -0.073 0.000 1.698 35 c CB 0.228 42.678 42.510 -0.100 0.000 2.572 35 c HN 0.648 nan 8.230 nan 0.000 0.604 36 Q N 3.445 123.221 119.800 -0.040 0.000 2.324 36 Q HA 0.174 4.516 4.340 0.004 0.000 0.207 36 Q C 0.458 176.446 176.000 -0.022 0.000 0.928 36 Q CA 0.670 56.453 55.803 -0.033 0.000 0.890 36 Q CB 0.122 28.837 28.738 -0.037 0.000 1.001 36 Q HN 0.956 nan 8.270 nan 0.000 0.517 37 N N -1.475 117.216 118.700 -0.016 0.000 3.116 37 N HA 0.429 5.171 4.740 0.004 0.000 0.244 37 N C -0.137 175.371 175.510 -0.004 0.000 1.485 37 N CA -0.163 52.881 53.050 -0.009 0.000 0.884 37 N CB 1.549 40.031 38.487 -0.008 0.000 1.415 37 N HN 0.119 nan 8.380 nan 0.000 0.524 38 G N -0.036 108.767 108.800 0.006 0.000 2.542 38 G HA2 -0.020 3.942 3.960 0.004 0.000 0.235 38 G HA3 -0.020 3.942 3.960 0.004 0.000 0.235 38 G C 0.134 175.050 174.900 0.026 0.000 1.286 38 G CA 0.173 45.285 45.100 0.021 0.000 0.904 38 G HN 1.360 nan 8.290 nan 0.000 0.577 39 A N -0.410 122.434 122.820 0.041 0.000 2.711 39 A HA 0.434 4.757 4.320 0.004 0.000 0.242 39 A C 1.284 178.905 177.584 0.063 0.000 1.607 39 A CA 1.048 53.129 52.037 0.073 0.000 1.370 39 A CB -1.549 17.516 19.000 0.109 0.000 0.934 39 A HN 1.614 nan 8.150 nan 0.000 0.628 40 c N -0.380 118.233 118.600 0.021 0.000 2.634 40 c HA -0.040 4.532 4.570 0.004 0.000 0.417 40 c C 1.460 175.647 174.090 0.161 0.000 1.334 40 c CA -0.400 55.929 56.329 0.000 0.000 1.829 40 c CB -0.819 41.692 42.510 0.002 0.000 2.665 40 c HN 0.818 nan 8.230 nan 0.000 0.614 41 W N 0.948 122.265 121.300 0.029 0.000 2.436 41 W HA 0.035 4.695 4.660 -0.000 0.000 0.284 41 W C 1.160 177.692 176.519 0.022 0.000 1.225 41 W CA 0.598 57.957 57.345 0.024 0.000 1.271 41 W CB -1.333 28.143 29.460 0.027 0.000 1.114 41 W HN 0.511 nan 8.180 nan 0.000 0.559 42 T N 1.598 116.282 114.554 0.217 0.000 2.832 42 T HA 0.280 4.633 4.350 0.004 0.000 0.313 42 T C 0.251 175.027 174.700 0.127 0.000 1.035 42 T CA -0.256 61.933 62.100 0.148 0.000 0.950 42 T CB 0.808 69.747 68.868 0.118 0.000 0.984 42 T HN -0.258 nan 8.240 nan 0.000 0.486 43 S N 3.716 119.501 115.700 0.141 0.000 2.558 43 S HA 0.061 4.533 4.470 0.004 0.000 0.293 43 S C 0.801 175.506 174.600 0.175 0.000 1.292 43 S CA -0.233 58.057 58.200 0.150 0.000 1.063 43 S CB 0.305 63.639 63.200 0.223 0.000 0.831 43 S HN 0.494 nan 8.310 nan 0.000 0.499 44 K N 2.056 122.515 120.400 0.098 0.000 2.219 44 K HA 0.249 4.571 4.320 0.004 0.000 0.258 44 K C 0.647 177.267 176.600 0.033 0.000 1.008 44 K CA -0.093 56.226 56.287 0.053 0.000 0.928 44 K CB 0.443 32.948 32.500 0.009 0.000 0.983 44 K HN 0.438 nan 8.250 nan 0.000 0.484 45 R N 0.304 120.768 120.500 -0.059 0.000 2.532 45 R HA 0.533 4.876 4.340 0.004 0.000 0.272 45 R C -0.390 175.829 176.300 -0.135 0.000 1.032 45 R CA -0.531 55.443 56.100 -0.210 0.000 1.089 45 R CB 0.888 31.038 30.300 -0.250 0.000 1.098 45 R HN 0.930 nan 8.270 nan 0.000 0.526 46 c N -2.298 116.211 118.600 -0.153 0.000 3.272 46 c HA 0.825 5.397 4.570 0.004 0.000 0.363 46 c C 0.611 174.655 174.090 -0.076 0.000 1.514 46 c CA -0.161 56.118 56.329 -0.084 0.000 1.185 46 c CB 0.503 42.981 42.510 -0.053 0.000 1.716 46 c HN 1.060 nan 8.230 nan 0.000 0.440 47 G N 1.205 109.975 108.800 -0.050 0.000 2.601 47 G HA2 -0.035 3.927 3.960 0.004 0.000 0.252 47 G HA3 -0.035 3.927 3.960 0.004 0.000 0.252 47 G C 0.874 175.748 174.900 -0.043 0.000 1.294 47 G CA 1.129 46.205 45.100 -0.041 0.000 0.912 47 G HN 2.484 nan 8.290 nan 0.000 0.574 48 S N -0.963 114.715 115.700 -0.038 0.000 2.374 48 S HA -0.223 4.249 4.470 0.004 0.000 0.227 48 S C 2.083 176.661 174.600 -0.036 0.000 1.037 48 S CA 2.377 60.558 58.200 -0.032 0.000 1.024 48 S CB -0.406 62.778 63.200 -0.025 0.000 0.861 48 S HN 0.793 nan 8.310 nan 0.000 0.456 49 Q N 1.805 121.578 119.800 -0.046 0.000 2.234 49 Q HA 0.219 4.561 4.340 0.004 0.000 0.206 49 Q C 1.622 177.585 176.000 -0.063 0.000 0.980 49 Q CA 1.421 57.193 55.803 -0.053 0.000 0.869 49 Q CB -0.504 28.188 28.738 -0.076 0.000 0.912 49 Q HN 0.784 nan 8.270 nan 0.000 0.436 50 A N -0.561 122.218 122.820 -0.069 0.000 2.701 50 A HA 0.560 4.882 4.320 0.004 0.000 0.297 50 A C 0.703 178.261 177.584 -0.043 0.000 1.197 50 A CA 0.008 52.008 52.037 -0.062 0.000 0.963 50 A CB -0.442 18.510 19.000 -0.080 0.000 1.175 50 A HN 0.234 nan 8.150 nan 0.000 0.531 51 G N -0.407 108.371 108.800 -0.035 0.000 2.372 51 G HA2 0.152 4.114 3.960 0.004 0.000 0.290 51 G HA3 0.152 4.114 3.960 0.004 0.000 0.290 51 G C 1.456 176.340 174.900 -0.026 0.000 0.965 51 G CA 0.932 46.015 45.100 -0.027 0.000 1.263 51 G HN 2.170 nan 8.290 nan 0.000 0.498 52 G N -1.145 107.638 108.800 -0.028 0.000 2.184 52 G HA2 0.113 4.075 3.960 0.004 0.000 0.264 52 G HA3 0.113 4.075 3.960 0.004 0.000 0.264 52 G C 1.029 175.914 174.900 -0.026 0.000 0.975 52 G CA 1.209 46.293 45.100 -0.025 0.000 0.642 52 G HN 2.438 nan 8.290 nan 0.000 0.536 53 A N 0.114 122.917 122.820 -0.029 0.000 2.546 53 A HA 0.548 4.870 4.320 0.004 0.000 0.243 53 A C 0.760 178.326 177.584 -0.030 0.000 1.063 53 A CA 1.674 53.694 52.037 -0.029 0.000 0.757 53 A CB 0.288 19.268 19.000 -0.033 0.000 0.991 53 A HN 1.020 nan 8.150 nan 0.000 0.503 54 T N 1.934 116.473 114.554 -0.025 0.000 2.928 54 T HA 0.411 4.764 4.350 0.004 0.000 0.284 54 T C 0.255 174.938 174.700 -0.028 0.000 1.008 54 T CA -0.449 61.637 62.100 -0.023 0.000 1.057 54 T CB 0.117 68.976 68.868 -0.015 0.000 1.018 54 T HN 0.786 nan 8.240 nan 0.000 0.493 55 c N 3.041 121.620 118.600 -0.035 0.000 2.595 55 c HA 0.543 5.116 4.570 0.004 0.000 0.384 55 c C 1.473 175.540 174.090 -0.038 0.000 1.289 55 c CA -0.728 55.572 56.329 -0.049 0.000 2.372 55 c CB 0.085 42.543 42.510 -0.087 0.000 2.593 55 c HN 1.019 nan 8.230 nan 0.000 0.639 56 T N -0.527 114.005 114.554 -0.037 0.000 2.824 56 T HA 0.295 4.648 4.350 0.004 0.000 0.277 56 T C 0.225 174.917 174.700 -0.014 0.000 0.975 56 T CA -0.350 61.739 62.100 -0.018 0.000 0.966 56 T CB 0.090 68.950 68.868 -0.014 0.000 1.054 56 T HN 0.758 nan 8.240 nan 0.000 0.533 57 N N 1.171 119.881 118.700 0.016 0.000 2.708 57 N HA -0.201 4.541 4.740 0.004 0.000 0.249 57 N C -0.357 175.212 175.510 0.098 0.000 1.097 57 N CA 0.781 53.867 53.050 0.060 0.000 0.710 57 N CB -1.795 36.742 38.487 0.084 0.000 1.032 57 N HN 0.741 nan 8.380 nan 0.000 0.551 58 N N -1.259 117.478 118.700 0.062 0.000 2.716 58 N HA -0.228 4.514 4.740 0.004 0.000 0.250 58 N C -0.555 175.002 175.510 0.078 0.000 1.033 58 N CA 1.209 54.310 53.050 0.086 0.000 0.727 58 N CB -0.694 37.865 38.487 0.121 0.000 0.950 58 N HN 0.685 nan 8.380 nan 0.000 0.541 59 Q N -0.501 119.205 119.800 -0.156 0.000 2.317 59 Q HA 0.363 4.705 4.340 0.004 0.000 0.229 59 Q C 0.197 176.003 176.000 -0.323 0.000 0.984 59 Q CA -0.195 55.223 55.803 -0.641 0.000 0.911 59 Q CB 1.076 29.432 28.738 -0.637 0.000 1.217 59 Q HN 0.289 nan 8.270 nan 0.000 0.501 60 c N 0.642 119.013 118.600 -0.383 0.000 2.466 60 c HA 0.267 4.839 4.570 0.004 0.000 0.379 60 c C 0.383 174.469 174.090 -0.007 0.000 1.251 60 c CA -0.893 55.387 56.329 -0.082 0.000 2.263 60 c CB 0.209 42.744 42.510 0.041 0.000 2.511 60 c HN 0.774 nan 8.230 nan 0.000 0.573 61 c N 4.714 123.337 118.600 0.038 0.000 2.239 61 c HA 0.557 5.129 4.570 0.004 0.000 0.323 61 c C 0.927 175.064 174.090 0.078 0.000 1.205 61 c CA -0.322 56.044 56.329 0.062 0.000 1.584 61 c CB -1.321 41.195 42.510 0.011 0.000 2.201 61 c HN 1.075 nan 8.230 nan 0.000 0.475 62 S N 4.529 120.316 115.700 0.145 0.000 2.596 62 S HA 0.094 4.567 4.470 0.004 0.000 0.260 62 S C 1.295 175.872 174.600 -0.039 0.000 1.336 62 S CA 0.263 58.487 58.200 0.040 0.000 0.993 62 S CB 0.635 63.826 63.200 -0.015 0.000 0.923 62 S HN 0.895 nan 8.310 nan 0.000 0.567 63 Q N 0.110 119.801 119.800 -0.182 0.000 2.234 63 Q HA -0.191 4.151 4.340 0.004 0.000 0.206 63 Q C 0.801 176.597 176.000 -0.341 0.000 0.980 63 Q CA 1.759 57.369 55.803 -0.322 0.000 0.869 63 Q CB -0.727 27.693 28.738 -0.530 0.000 0.912 63 Q HN 0.907 nan 8.270 nan 0.000 0.436 64 Y N 0.372 120.693 120.300 0.034 0.000 2.466 64 Y HA 0.349 4.901 4.550 0.003 0.000 0.272 64 Y C 1.335 177.265 175.900 0.050 0.000 1.169 64 Y CA 0.128 58.283 58.100 0.091 0.000 1.285 64 Y CB 0.562 39.136 38.460 0.188 0.000 1.078 64 Y HN 0.299 nan 8.280 nan 0.000 0.523 65 G N -0.360 108.487 108.800 0.079 0.000 2.204 65 G HA2 -0.288 3.674 3.960 0.004 0.000 0.244 65 G HA3 -0.288 3.674 3.960 0.004 0.000 0.244 65 G C -0.700 173.991 174.900 -0.349 0.000 1.062 65 G CA -0.403 44.625 45.100 -0.120 0.000 0.798 65 G HN 0.347 nan 8.290 nan 0.000 0.496 66 Y N -1.291 119.096 120.300 0.144 0.000 2.499 66 Y HA 0.602 5.155 4.550 0.004 0.000 0.347 66 Y C 0.904 176.953 175.900 0.248 0.000 0.987 66 Y CA -1.141 57.073 58.100 0.190 0.000 1.044 66 Y CB 1.545 40.161 38.460 0.259 0.000 1.245 66 Y HN 0.261 nan 8.280 nan 0.000 0.461 67 c N 2.284 121.033 118.600 0.250 0.000 2.435 67 c HA 0.881 5.454 4.570 0.004 0.000 0.375 67 c C 0.821 174.751 174.090 -0.266 0.000 1.281 67 c CA 0.016 56.355 56.329 0.017 0.000 1.963 67 c CB -0.437 42.040 42.510 -0.054 0.000 2.490 67 c HN 1.026 nan 8.230 nan 0.000 0.557 68 G N 1.791 110.225 108.800 -0.610 0.000 2.321 68 G HA2 0.571 4.533 3.960 0.004 0.000 0.296 68 G HA3 0.571 4.533 3.960 0.004 0.000 0.296 68 G C -1.838 172.509 174.900 -0.922 0.000 1.287 68 G CA -0.387 44.046 45.100 -1.111 0.000 0.846 68 G HN 0.368 nan 8.290 nan 0.000 0.508 69 F N -0.067 119.658 119.950 -0.374 0.000 2.631 69 F HA 0.869 5.399 4.527 0.005 0.000 0.328 69 F C 0.825 176.674 175.800 0.082 0.000 1.067 69 F CA 0.291 58.255 58.000 -0.061 0.000 0.969 69 F CB 2.087 41.060 39.000 -0.044 0.000 1.332 69 F HN 1.669 nan 8.300 nan 0.000 0.490 70 G N 0.149 109.173 108.800 0.373 0.000 2.603 70 G HA2 0.290 4.253 3.960 0.004 0.000 0.686 70 G HA3 0.290 4.253 3.960 0.004 0.000 0.686 70 G C 0.410 175.466 174.900 0.259 0.000 1.286 70 G CA -0.245 45.019 45.100 0.273 0.000 0.871 70 G HN 1.229 nan 8.290 nan 0.000 0.568 71 A N -0.480 122.442 122.820 0.170 0.000 1.948 71 A HA -0.008 4.314 4.320 0.004 0.000 0.220 71 A C 2.058 179.693 177.584 0.085 0.000 1.177 71 A CA 2.646 54.750 52.037 0.112 0.000 0.636 71 A CB -0.472 18.571 19.000 0.073 0.000 0.815 71 A HN 0.962 nan 8.150 nan 0.000 0.449 72 E N -1.613 118.627 120.200 0.067 0.000 2.274 72 E HA -0.073 4.279 4.350 0.004 0.000 0.194 72 E C 1.381 177.819 176.600 -0.269 0.000 0.996 72 E CA 1.157 57.489 56.400 -0.113 0.000 0.840 72 E CB -0.261 29.300 29.700 -0.232 0.000 0.772 72 E HN 0.853 nan 8.360 nan 0.000 0.491 73 Y N -1.827 118.515 120.300 0.071 0.000 2.396 73 Y HA 0.069 4.622 4.550 0.004 0.000 0.292 73 Y C 1.928 177.850 175.900 0.036 0.000 1.128 73 Y CA 0.298 58.429 58.100 0.052 0.000 1.194 73 Y CB 0.025 38.498 38.460 0.023 0.000 1.124 73 Y HN 0.048 nan 8.280 nan 0.000 0.543 74 c N -0.200 118.528 118.600 0.214 0.000 2.780 74 c HA 0.390 4.962 4.570 0.004 0.000 0.267 74 c C 1.995 176.137 174.090 0.085 0.000 1.266 74 c CA 0.111 56.526 56.329 0.143 0.000 1.709 74 c CB -1.293 41.326 42.510 0.181 0.000 1.975 74 c HN 0.576 nan 8.230 nan 0.000 0.582 75 G N 0.567 109.406 108.800 0.064 0.000 2.679 75 G HA2 0.437 4.399 3.960 0.004 0.000 0.202 75 G HA3 0.437 4.399 3.960 0.004 0.000 0.202 75 G C 0.269 175.174 174.900 0.008 0.000 1.566 75 G CA 0.391 45.512 45.100 0.034 0.000 1.074 75 G HN 0.578 nan 8.290 nan 0.000 0.564 76 A N -1.398 121.417 122.820 -0.008 0.000 2.580 76 A HA 0.455 4.778 4.320 0.004 0.000 0.244 76 A C 1.655 179.204 177.584 -0.059 0.000 1.045 76 A CA 1.418 53.439 52.037 -0.027 0.000 0.761 76 A CB -0.901 18.082 19.000 -0.029 0.000 0.962 76 A HN 2.527 nan 8.150 nan 0.000 0.512 77 G N 0.828 109.594 108.800 -0.057 0.000 2.155 77 G HA2 -0.267 3.695 3.960 0.004 0.000 0.257 77 G HA3 -0.267 3.695 3.960 0.004 0.000 0.257 77 G C 0.790 175.648 174.900 -0.071 0.000 0.983 77 G CA 0.519 45.569 45.100 -0.083 0.000 0.676 77 G HN 2.035 nan 8.290 nan 0.000 0.528 78 c N 0.220 118.800 118.600 -0.033 0.000 2.563 78 c HA 0.373 4.945 4.570 0.004 0.000 0.411 78 c C 1.841 175.926 174.090 -0.008 0.000 1.386 78 c CA 1.153 57.478 56.329 -0.006 0.000 1.703 78 c CB 0.228 42.755 42.510 0.027 0.000 2.596 78 c HN 0.643 nan 8.230 nan 0.000 0.605 79 Q N 2.683 122.479 119.800 -0.006 0.000 2.281 79 Q HA 0.316 4.658 4.340 0.004 0.000 0.215 79 Q C 0.690 176.691 176.000 0.001 0.000 0.867 79 Q CA 0.571 56.368 55.803 -0.010 0.000 0.940 79 Q CB 0.853 29.579 28.738 -0.020 0.000 1.111 79 Q HN 1.027 nan 8.270 nan 0.000 0.513 80 G N -1.296 107.509 108.800 0.009 0.000 2.356 80 G HA2 0.444 4.406 3.960 0.004 0.000 0.294 80 G HA3 0.444 4.406 3.960 0.004 0.000 0.294 80 G C -0.537 174.371 174.900 0.013 0.000 1.423 80 G CA -0.128 44.977 45.100 0.010 0.000 0.806 80 G HN 0.258 nan 8.290 nan 0.000 0.527 81 G N -0.513 108.295 108.800 0.013 0.000 2.615 81 G HA2 0.153 4.115 3.960 0.004 0.000 0.218 81 G HA3 0.153 4.115 3.960 0.004 0.000 0.218 81 G C -2.524 172.401 174.900 0.042 0.000 1.339 81 G CA 0.150 45.263 45.100 0.022 0.000 0.884 81 G HN 1.197 nan 8.290 nan 0.000 0.559 82 P HA 0.412 nan 4.420 nan 0.000 0.225 82 P C 0.558 177.910 177.300 0.086 0.000 1.813 82 P CA -0.420 62.725 63.100 0.076 0.000 1.013 82 P CB -0.517 31.250 31.700 0.112 0.000 1.961 83 c N 1.549 120.188 118.600 0.065 0.000 2.741 83 c HA 0.070 4.642 4.570 0.004 0.000 0.403 83 c C 2.408 176.531 174.090 0.054 0.000 1.282 83 c CA -0.181 56.185 56.329 0.062 0.000 2.053 83 c CB -0.213 42.326 42.510 0.048 0.000 2.731 83 c HN 0.490 nan 8.230 nan 0.000 0.680 84 R N 0.866 121.397 120.500 0.050 0.000 2.153 84 R HA 0.073 4.415 4.340 0.004 0.000 0.218 84 R C 0.911 177.226 176.300 0.025 0.000 1.072 84 R CA 0.768 56.890 56.100 0.037 0.000 0.990 84 R CB -0.193 30.130 30.300 0.038 0.000 0.889 84 R HN 0.808 nan 8.270 nan 0.000 0.452 85 A N 1.764 124.603 122.820 0.032 0.000 2.351 85 A HA 0.088 4.411 4.320 0.004 0.000 0.257 85 A C -0.523 177.091 177.584 0.050 0.000 1.087 85 A CA -0.447 51.611 52.037 0.036 0.000 0.798 85 A CB 0.334 19.362 19.000 0.047 0.000 1.033 85 A HN 0.080 nan 8.150 nan 0.000 0.488 86 D N 1.446 121.875 120.400 0.048 0.000 2.371 86 D HA 0.221 4.864 4.640 0.004 0.000 0.256 86 D C -0.222 176.240 176.300 0.270 0.000 1.193 86 D CA 0.745 54.799 54.000 0.089 0.000 0.881 86 D CB 0.769 41.453 40.800 -0.193 0.000 1.143 86 D HN 0.365 nan 8.370 nan 0.000 0.473 87 I N 2.870 123.608 120.570 0.279 0.000 2.352 87 I HA 0.062 4.234 4.170 0.004 0.000 0.290 87 I C 1.001 177.279 176.117 0.268 0.000 1.036 87 I CA -0.374 61.059 61.300 0.221 0.000 1.336 87 I CB 0.669 38.746 38.000 0.130 0.000 1.407 87 I HN -0.061 nan 8.210 nan 0.000 0.497 88 K N 5.794 126.279 120.400 0.142 0.000 2.185 88 K HA 0.577 4.900 4.320 0.004 0.000 0.271 88 K C -0.468 176.118 176.600 -0.023 0.000 1.013 88 K CA -0.433 55.837 56.287 -0.028 0.000 0.943 88 K CB 1.261 33.725 32.500 -0.060 0.000 0.998 88 K HN 0.818 nan 8.250 nan 0.000 0.468 89 c N -1.395 117.160 118.600 -0.075 0.000 3.314 89 c HA 0.841 5.414 4.570 0.004 0.000 0.344 89 c C 0.781 174.835 174.090 -0.060 0.000 1.461 89 c CA -0.140 56.166 56.329 -0.038 0.000 1.249 89 c CB 0.302 42.818 42.510 0.009 0.000 1.632 89 c HN 1.024 nan 8.230 nan 0.000 0.452 90 G N 1.333 110.110 108.800 -0.038 0.000 2.574 90 G HA2 -0.208 3.754 3.960 0.004 0.000 0.286 90 G HA3 -0.208 3.754 3.960 0.004 0.000 0.286 90 G C 0.991 175.863 174.900 -0.048 0.000 1.212 90 G CA 0.981 46.057 45.100 -0.040 0.000 0.979 90 G HN 1.816 nan 8.290 nan 0.000 0.557 91 S N 0.076 115.746 115.700 -0.050 0.000 2.359 91 S HA -0.143 4.329 4.470 0.004 0.000 0.224 91 S C 2.120 176.689 174.600 -0.051 0.000 1.035 91 S CA 2.406 60.578 58.200 -0.046 0.000 1.018 91 S CB -0.317 62.855 63.200 -0.046 0.000 0.876 91 S HN 0.625 nan 8.310 nan 0.000 0.448 92 Q N 0.277 120.034 119.800 -0.072 0.000 2.576 92 Q HA 0.305 4.647 4.340 0.004 0.000 0.219 92 Q C 0.553 176.502 176.000 -0.084 0.000 0.976 92 Q CA 0.673 56.423 55.803 -0.089 0.000 0.977 92 Q CB -0.120 28.528 28.738 -0.149 0.000 0.988 92 Q HN 0.484 nan 8.270 nan 0.000 0.555 93 A N -1.386 121.398 122.820 -0.060 0.000 2.556 93 A HA 0.506 4.828 4.320 0.004 0.000 0.208 93 A C 0.709 178.274 177.584 -0.033 0.000 1.156 93 A CA -0.167 51.843 52.037 -0.045 0.000 1.290 93 A CB -0.472 18.499 19.000 -0.048 0.000 1.169 93 A HN 0.288 nan 8.150 nan 0.000 0.468 94 G N -0.270 108.511 108.800 -0.031 0.000 2.350 94 G HA2 0.189 4.152 3.960 0.004 0.000 0.298 94 G HA3 0.189 4.152 3.960 0.004 0.000 0.298 94 G C 1.689 176.572 174.900 -0.027 0.000 1.037 94 G CA 1.143 46.228 45.100 -0.026 0.000 1.074 94 G HN 2.370 nan 8.290 nan 0.000 0.511 95 G N -1.010 107.771 108.800 -0.031 0.000 2.155 95 G HA2 -0.333 3.629 3.960 0.004 0.000 0.257 95 G HA3 -0.333 3.629 3.960 0.004 0.000 0.257 95 G C 0.562 175.443 174.900 -0.032 0.000 0.983 95 G CA 1.328 46.409 45.100 -0.032 0.000 0.676 95 G HN 1.269 nan 8.290 nan 0.000 0.528 96 K N 0.151 120.533 120.400 -0.029 0.000 2.436 96 K HA 0.421 4.743 4.320 0.004 0.000 0.275 96 K C 0.773 177.358 176.600 -0.024 0.000 0.999 96 K CA -0.380 55.892 56.287 -0.026 0.000 0.980 96 K CB 0.107 32.595 32.500 -0.020 0.000 0.919 96 K HN 0.276 nan 8.250 nan 0.000 0.484 97 L N 3.613 124.819 121.223 -0.027 0.000 2.375 97 L HA 0.219 4.562 4.340 0.004 0.000 0.271 97 L C 0.100 176.964 176.870 -0.010 0.000 1.107 97 L CA -1.086 53.738 54.840 -0.027 0.000 0.806 97 L CB 1.322 43.352 42.059 -0.048 0.000 1.146 97 L HN 0.727 nan 8.230 nan 0.000 0.447 98 c N 2.496 121.099 118.600 0.005 0.000 2.605 98 c HA 0.298 4.870 4.570 0.004 0.000 0.404 98 c C -1.778 172.316 174.090 0.007 0.000 1.284 98 c CA -0.898 55.441 56.329 0.017 0.000 2.199 98 c CB -0.043 42.486 42.510 0.032 0.000 2.647 98 c HN 0.508 nan 8.230 nan 0.000 0.604 99 P HA 0.219 nan 4.420 nan 0.000 0.274 99 P C -0.119 177.187 177.300 0.010 0.000 1.231 99 P CA 0.176 63.278 63.100 0.004 0.000 0.790 99 P CB 0.273 31.975 31.700 0.003 0.000 0.951 100 N N 2.182 120.889 118.700 0.012 0.000 2.740 100 N HA -0.196 4.546 4.740 0.004 0.000 0.248 100 N C -0.263 175.268 175.510 0.036 0.000 1.062 100 N CA 0.787 53.850 53.050 0.021 0.000 0.704 100 N CB -1.796 36.699 38.487 0.014 0.000 0.968 100 N HN 0.536 nan 8.380 nan 0.000 0.547 101 N N -2.346 116.386 118.700 0.052 0.000 2.863 101 N HA -0.223 4.519 4.740 0.004 0.000 0.245 101 N C -0.043 175.512 175.510 0.074 0.000 1.001 101 N CA 1.030 54.138 53.050 0.098 0.000 0.901 101 N CB -1.191 37.370 38.487 0.122 0.000 1.124 101 N HN 0.515 nan 8.380 nan 0.000 0.582 102 L N 0.734 121.981 121.223 0.041 0.000 2.492 102 L HA 0.013 4.356 4.340 0.004 0.000 0.280 102 L C 1.115 178.020 176.870 0.058 0.000 1.240 102 L CA 0.173 55.028 54.840 0.025 0.000 0.831 102 L CB 0.255 42.306 42.059 -0.013 0.000 1.100 102 L HN 0.155 nan 8.230 nan 0.000 0.505 103 c N 1.473 120.118 118.600 0.075 0.000 2.593 103 c HA 0.117 4.690 4.570 0.004 0.000 0.409 103 c C 0.678 174.877 174.090 0.181 0.000 1.304 103 c CA -0.918 55.494 56.329 0.138 0.000 2.007 103 c CB 0.132 42.765 42.510 0.205 0.000 2.614 103 c HN 0.779 nan 8.230 nan 0.000 0.585 104 c N 5.485 124.176 118.600 0.151 0.000 2.246 104 c HA 0.529 5.102 4.570 0.004 0.000 0.329 104 c C 1.033 175.227 174.090 0.174 0.000 1.221 104 c CA -0.272 56.150 56.329 0.155 0.000 1.697 104 c CB -1.378 41.173 42.510 0.068 0.000 2.312 104 c HN 1.082 nan 8.230 nan 0.000 0.509 105 S N 4.685 120.556 115.700 0.284 0.000 2.626 105 S HA 0.134 4.606 4.470 0.004 0.000 0.257 105 S C 1.164 175.753 174.600 -0.018 0.000 1.288 105 S CA 0.022 58.319 58.200 0.161 0.000 0.980 105 S CB 0.555 63.883 63.200 0.213 0.000 0.975 105 S HN 0.870 nan 8.310 nan 0.000 0.577 106 Q N -0.190 119.439 119.800 -0.284 0.000 2.181 106 Q HA -0.097 4.245 4.340 0.004 0.000 0.205 106 Q C 1.161 176.929 176.000 -0.387 0.000 0.980 106 Q CA 1.345 56.862 55.803 -0.477 0.000 0.862 106 Q CB -0.384 27.816 28.738 -0.898 0.000 0.905 106 Q HN 0.874 nan 8.270 nan 0.000 0.429 107 W N 0.569 121.865 121.300 -0.006 0.000 3.256 107 W HA 0.332 4.994 4.660 0.004 0.000 0.269 107 W C 0.621 177.037 176.519 -0.171 0.000 1.310 107 W CA 0.520 57.858 57.345 -0.011 0.000 1.673 107 W CB 0.291 29.825 29.460 0.124 0.000 1.115 107 W HN 0.449 nan 8.180 nan 0.000 0.686 108 G N 0.919 109.726 108.800 0.012 0.000 2.203 108 G HA2 -0.255 3.707 3.960 0.004 0.000 0.231 108 G HA3 -0.255 3.707 3.960 0.004 0.000 0.231 108 G C -0.780 173.826 174.900 -0.489 0.000 1.058 108 G CA -0.560 44.411 45.100 -0.216 0.000 0.781 108 G HN 0.065 nan 8.290 nan 0.000 0.496 109 F N -0.599 119.511 119.950 0.268 0.000 2.563 109 F HA 0.628 5.157 4.527 0.004 0.000 0.316 109 F C 0.844 176.874 175.800 0.383 0.000 1.076 109 F CA -1.238 56.943 58.000 0.301 0.000 0.921 109 F CB 1.571 40.780 39.000 0.349 0.000 1.209 109 F HN 0.169 nan 8.300 nan 0.000 0.462 110 c N 1.839 120.686 118.600 0.412 0.000 2.452 110 c HA 0.894 5.466 4.570 0.004 0.000 0.379 110 c C 0.742 174.735 174.090 -0.161 0.000 1.275 110 c CA -0.272 56.162 56.329 0.175 0.000 2.056 110 c CB -0.087 42.472 42.510 0.083 0.000 2.506 110 c HN 1.031 nan 8.230 nan 0.000 0.560 111 G N 1.777 110.274 108.800 -0.505 0.000 2.490 111 G HA2 0.595 4.557 3.960 0.004 0.000 0.308 111 G HA3 0.595 4.557 3.960 0.004 0.000 0.308 111 G C -2.338 172.197 174.900 -0.608 0.000 1.286 111 G CA -0.327 44.061 45.100 -1.186 0.000 0.825 111 G HN 0.523 nan 8.290 nan 0.000 0.479 112 L N -0.096 120.826 121.223 -0.502 0.000 2.445 112 L HA 0.889 5.231 4.340 0.004 0.000 0.262 112 L C 0.333 177.252 176.870 0.082 0.000 0.974 112 L CA 0.934 55.728 54.840 -0.078 0.000 0.822 112 L CB 1.633 43.653 42.059 -0.066 0.000 1.339 112 L HN 2.294 nan 8.230 nan 0.000 0.409 113 G N 1.722 110.627 108.800 0.177 0.000 2.392 113 G HA2 0.022 3.984 3.960 0.004 0.000 0.677 113 G HA3 0.022 3.984 3.960 0.004 0.000 0.677 113 G C 0.266 175.314 174.900 0.246 0.000 1.334 113 G CA -0.240 44.982 45.100 0.203 0.000 0.961 113 G HN 0.667 nan 8.290 nan 0.000 0.616 114 S N 0.062 115.862 115.700 0.168 0.000 2.369 114 S HA -0.198 4.274 4.470 0.004 0.000 0.225 114 S C 2.065 176.739 174.600 0.122 0.000 1.043 114 S CA 2.611 60.886 58.200 0.124 0.000 1.074 114 S CB -0.386 62.866 63.200 0.087 0.000 0.962 114 S HN 0.781 nan 8.310 nan 0.000 0.433 115 E N 0.469 120.736 120.200 0.111 0.000 2.219 115 E HA -0.108 4.244 4.350 0.004 0.000 0.198 115 E C 1.459 177.959 176.600 -0.166 0.000 0.998 115 E CA 1.210 57.602 56.400 -0.013 0.000 0.818 115 E CB -0.296 29.323 29.700 -0.134 0.000 0.741 115 E HN 0.638 nan 8.360 nan 0.000 0.477 116 F N -1.745 118.300 119.950 0.159 0.000 2.500 116 F HA 0.116 4.646 4.527 0.004 0.000 0.285 116 F C 1.819 177.672 175.800 0.087 0.000 1.088 116 F CA 0.096 58.185 58.000 0.148 0.000 1.432 116 F CB -0.073 39.008 39.000 0.135 0.000 1.131 116 F HN 0.008 nan 8.300 nan 0.000 0.582 117 c N -0.011 118.743 118.600 0.257 0.000 2.673 117 c HA 0.437 5.009 4.570 0.004 0.000 0.264 117 c C 1.776 175.916 174.090 0.085 0.000 1.304 117 c CA -0.048 56.372 56.329 0.153 0.000 1.727 117 c CB -1.463 41.127 42.510 0.133 0.000 1.932 117 c HN 0.399 nan 8.230 nan 0.000 0.563 118 G N -0.220 108.622 108.800 0.070 0.000 2.531 118 G HA2 0.456 4.418 3.960 0.004 0.000 0.281 118 G HA3 0.456 4.418 3.960 0.004 0.000 0.281 118 G C 0.228 175.122 174.900 -0.011 0.000 1.382 118 G CA 0.199 45.318 45.100 0.030 0.000 1.045 118 G HN 0.477 nan 8.290 nan 0.000 0.533 119 G N -1.316 107.468 108.800 -0.027 0.000 2.888 119 G HA2 0.412 4.374 3.960 0.004 0.000 0.311 119 G HA3 0.412 4.374 3.960 0.004 0.000 0.311 119 G C 1.288 176.113 174.900 -0.125 0.000 0.310 119 G CA 1.021 46.084 45.100 -0.062 0.000 1.201 119 G HN 2.103 nan 8.290 nan 0.000 0.194 120 G N 0.726 109.458 108.800 -0.114 0.000 2.179 120 G HA2 -0.203 3.759 3.960 0.004 0.000 0.220 120 G HA3 -0.203 3.759 3.960 0.004 0.000 0.220 120 G C 1.040 175.859 174.900 -0.134 0.000 0.990 120 G CA 0.409 45.407 45.100 -0.169 0.000 0.646 120 G HN 1.848 nan 8.290 nan 0.000 0.517 121 c N 1.529 120.088 118.600 -0.069 0.000 2.523 121 c HA 0.429 5.001 4.570 0.004 0.000 0.406 121 c C 2.009 176.094 174.090 -0.010 0.000 1.449 121 c CA 1.148 57.471 56.329 -0.009 0.000 1.588 121 c CB -0.017 42.516 42.510 0.038 0.000 2.514 121 c HN 0.630 nan 8.230 nan 0.000 0.606 122 Q N 3.024 122.822 119.800 -0.003 0.000 2.297 122 Q HA 0.136 4.478 4.340 0.004 0.000 0.203 122 Q C 0.861 176.865 176.000 0.007 0.000 0.931 122 Q CA 1.055 56.852 55.803 -0.011 0.000 0.885 122 Q CB 0.186 28.910 28.738 -0.023 0.000 0.991 122 Q HN 0.951 nan 8.270 nan 0.000 0.498 123 S N -2.137 113.581 115.700 0.030 0.000 2.636 123 S HA 0.674 5.146 4.470 0.004 0.000 0.268 123 S C 0.007 174.648 174.600 0.068 0.000 1.159 123 S CA -0.421 57.795 58.200 0.027 0.000 0.815 123 S CB 1.466 64.659 63.200 -0.011 0.000 1.130 123 S HN 0.482 nan 8.310 nan 0.000 0.471 124 G N 0.835 109.688 108.800 0.087 0.000 2.542 124 G HA2 0.331 4.293 3.960 0.004 0.000 0.235 124 G HA3 0.331 4.293 3.960 0.004 0.000 0.235 124 G C 0.394 175.443 174.900 0.249 0.000 1.286 124 G CA -0.103 45.093 45.100 0.159 0.000 0.904 124 G HN 2.155 nan 8.290 nan 0.000 0.577 125 A N -0.416 122.501 122.820 0.162 0.000 2.958 125 A HA 0.476 4.798 4.320 0.004 0.000 0.247 125 A C 1.162 178.785 177.584 0.065 0.000 1.679 125 A CA 0.932 53.016 52.037 0.079 0.000 1.345 125 A CB -1.372 17.652 19.000 0.040 0.000 1.013 125 A HN 1.513 nan 8.150 nan 0.000 0.641 126 c N 0.663 119.313 118.600 0.084 0.000 2.679 126 c HA 0.233 4.805 4.570 0.004 0.000 0.417 126 c C 1.952 176.066 174.090 0.039 0.000 1.302 126 c CA 0.574 56.943 56.329 0.067 0.000 1.973 126 c CB 0.261 42.810 42.510 0.064 0.000 2.715 126 c HN 0.836 nan 8.230 nan 0.000 0.628 127 S N -0.549 115.175 115.700 0.040 0.000 2.572 127 S HA -0.011 4.461 4.470 0.004 0.000 0.228 127 S C 1.075 175.689 174.600 0.023 0.000 0.963 127 S CA 0.310 58.526 58.200 0.026 0.000 0.939 127 S CB -0.464 62.755 63.200 0.032 0.000 0.804 127 S HN 0.932 nan 8.310 nan 0.000 0.480 128 T N -1.742 112.826 114.554 0.024 0.000 3.067 128 T HA 0.060 4.413 4.350 0.004 0.000 0.261 128 T C 0.531 175.244 174.700 0.022 0.000 1.110 128 T CA 0.537 62.648 62.100 0.018 0.000 1.113 128 T CB -0.788 68.087 68.868 0.011 0.000 0.917 128 T HN 0.344 nan 8.240 nan 0.000 0.499 129 D N 1.507 121.922 120.400 0.026 0.000 2.704 129 D HA -0.148 4.494 4.640 0.004 0.000 0.232 129 D C -0.585 175.740 176.300 0.041 0.000 1.183 129 D CA 0.497 54.517 54.000 0.034 0.000 0.647 129 D CB -1.491 39.331 40.800 0.037 0.000 1.013 129 D HN 0.599 nan 8.370 nan 0.000 0.415 130 K N 1.293 121.717 120.400 0.039 0.000 2.382 130 K HA 0.235 4.557 4.320 0.004 0.000 0.275 130 K C -1.868 174.763 176.600 0.052 0.000 1.009 130 K CA -0.971 55.339 56.287 0.038 0.000 0.970 130 K CB 0.398 32.915 32.500 0.029 0.000 0.934 130 K HN 0.233 nan 8.250 nan 0.000 0.479 131 P HA 0.053 nan 4.420 nan 0.000 0.274 131 P C -0.395 176.940 177.300 0.059 0.000 1.231 131 P CA -0.536 62.603 63.100 0.066 0.000 0.790 131 P CB 0.642 32.379 31.700 0.061 0.000 0.951 132 c N -1.336 117.306 118.600 0.069 0.000 3.256 132 c HA 0.976 5.549 4.570 0.004 0.000 0.361 132 c C 0.710 174.831 174.090 0.051 0.000 1.665 132 c CA 0.264 56.627 56.329 0.057 0.000 1.445 132 c CB 0.769 43.320 42.510 0.069 0.000 2.144 132 c HN 0.965 nan 8.230 nan 0.000 0.448 133 G N 1.138 109.960 108.800 0.038 0.000 2.693 133 G HA2 -0.133 3.829 3.960 0.004 0.000 0.226 133 G HA3 -0.133 3.829 3.960 0.004 0.000 0.226 133 G C 0.463 175.375 174.900 0.019 0.000 1.354 133 G CA 0.775 45.890 45.100 0.025 0.000 0.873 133 G HN 1.622 nan 8.290 nan 0.000 0.562 134 K N -0.927 119.479 120.400 0.009 0.000 2.077 134 K HA -0.229 4.093 4.320 0.004 0.000 0.213 134 K C 1.405 178.015 176.600 0.016 0.000 1.051 134 K CA 2.537 58.828 56.287 0.007 0.000 0.929 134 K CB -0.346 32.151 32.500 -0.005 0.000 0.715 134 K HN 0.418 nan 8.250 nan 0.000 0.451 135 D N 0.655 121.071 120.400 0.027 0.000 2.363 135 D HA 0.019 4.661 4.640 0.004 0.000 0.220 135 D C 0.529 176.850 176.300 0.034 0.000 0.994 135 D CA 1.028 55.050 54.000 0.036 0.000 0.890 135 D CB 0.440 41.273 40.800 0.055 0.000 0.906 135 D HN 0.479 nan 8.370 nan 0.000 0.530 136 A N -0.163 122.676 122.820 0.031 0.000 2.812 136 A HA 0.537 4.860 4.320 0.004 0.000 0.294 136 A C 1.317 178.913 177.584 0.020 0.000 1.014 136 A CA 0.060 52.114 52.037 0.028 0.000 1.024 136 A CB -0.099 18.922 19.000 0.034 0.000 1.162 136 A HN 0.054 nan 8.150 nan 0.000 0.511 137 G N -0.582 108.228 108.800 0.016 0.000 2.233 137 G HA2 0.087 4.050 3.960 0.004 0.000 0.270 137 G HA3 0.087 4.050 3.960 0.004 0.000 0.270 137 G C 1.481 176.386 174.900 0.009 0.000 1.011 137 G CA 0.959 46.065 45.100 0.011 0.000 0.762 137 G HN 2.315 nan 8.290 nan 0.000 0.511 138 G N -1.090 107.717 108.800 0.011 0.000 2.160 138 G HA2 -0.115 3.848 3.960 0.004 0.000 0.244 138 G HA3 -0.115 3.848 3.960 0.004 0.000 0.244 138 G C 0.452 175.359 174.900 0.011 0.000 1.022 138 G CA 1.039 46.145 45.100 0.009 0.000 0.741 138 G HN 1.973 nan 8.290 nan 0.000 0.508 139 R N -0.847 119.661 120.500 0.015 0.000 2.679 139 R HA 0.556 4.898 4.340 0.004 0.000 0.268 139 R C 0.690 177.001 176.300 0.019 0.000 1.044 139 R CA -0.082 56.027 56.100 0.014 0.000 1.105 139 R CB 0.973 31.282 30.300 0.016 0.000 0.989 139 R HN 0.922 nan 8.270 nan 0.000 0.447 140 V N 0.012 119.934 119.914 0.014 0.000 2.966 140 V HA 0.490 4.612 4.120 0.004 0.000 0.317 140 V C 0.111 176.219 176.094 0.024 0.000 1.070 140 V CA -1.170 61.141 62.300 0.018 0.000 1.008 140 V CB 1.384 33.211 31.823 0.006 0.000 1.070 140 V HN 0.945 nan 8.190 nan 0.000 0.457 141 c N 2.484 121.108 118.600 0.040 0.000 2.520 141 c HA 0.597 5.169 4.570 0.004 0.000 0.376 141 c C 1.451 175.533 174.090 -0.013 0.000 1.268 141 c CA 0.399 56.763 56.329 0.059 0.000 2.414 141 c CB 0.470 43.066 42.510 0.142 0.000 2.521 141 c HN 1.223 nan 8.230 nan 0.000 0.618 142 T N -0.234 114.297 114.554 -0.038 0.000 2.701 142 T HA 0.174 4.526 4.350 0.004 0.000 0.303 142 T C 0.491 174.948 174.700 -0.404 0.000 1.030 142 T CA 0.092 62.103 62.100 -0.149 0.000 1.010 142 T CB -0.074 68.729 68.868 -0.108 0.000 1.007 142 T HN 0.806 nan 8.240 nan 0.000 0.532 143 N N 0.675 119.122 118.700 -0.422 0.000 2.678 143 N HA -0.229 4.513 4.740 0.004 0.000 0.250 143 N C -0.067 175.135 175.510 -0.513 0.000 1.136 143 N CA 0.965 53.656 53.050 -0.599 0.000 0.757 143 N CB -1.575 36.179 38.487 -1.222 0.000 1.135 143 N HN 0.771 nan 8.380 nan 0.000 0.565 144 N N -3.428 115.099 118.700 -0.287 0.000 2.753 144 N HA -0.227 4.515 4.740 0.004 0.000 0.251 144 N C -0.792 174.700 175.510 -0.029 0.000 1.097 144 N CA 1.062 54.037 53.050 -0.126 0.000 0.786 144 N CB -1.419 37.021 38.487 -0.079 0.000 1.137 144 N HN 0.486 nan 8.380 nan 0.000 0.566 145 Y N 0.233 120.517 120.300 -0.027 0.000 2.511 145 Y HA 0.042 4.594 4.550 0.004 0.000 0.347 145 Y C 1.582 177.470 175.900 -0.019 0.000 1.257 145 Y CA -0.991 57.083 58.100 -0.043 0.000 1.469 145 Y CB 0.381 38.798 38.460 -0.071 0.000 1.353 145 Y HN 0.078 nan 8.280 nan 0.000 0.617 146 c N 1.861 120.565 118.600 0.174 0.000 2.527 146 c HA 0.276 4.848 4.570 0.004 0.000 0.396 146 c C 0.592 174.776 174.090 0.155 0.000 1.289 146 c CA -1.229 55.182 56.329 0.137 0.000 2.047 146 c CB -0.207 42.395 42.510 0.154 0.000 2.568 146 c HN 0.874 nan 8.230 nan 0.000 0.573 147 c N 5.278 123.953 118.600 0.125 0.000 2.239 147 c HA 0.556 5.128 4.570 0.004 0.000 0.325 147 c C 0.960 175.113 174.090 0.107 0.000 1.231 147 c CA -0.296 56.107 56.329 0.123 0.000 1.652 147 c CB -1.354 41.205 42.510 0.082 0.000 2.284 147 c HN 1.078 nan 8.230 nan 0.000 0.499 148 S N 4.623 120.420 115.700 0.162 0.000 2.608 148 S HA 0.202 4.674 4.470 0.004 0.000 0.261 148 S C 1.140 175.704 174.600 -0.060 0.000 1.314 148 S CA -0.107 58.128 58.200 0.059 0.000 0.992 148 S CB 0.706 63.934 63.200 0.047 0.000 0.935 148 S HN 0.877 nan 8.310 nan 0.000 0.564 149 K N -0.164 120.093 120.400 -0.239 0.000 2.281 149 K HA -0.071 4.251 4.320 0.004 0.000 0.203 149 K C 0.897 177.211 176.600 -0.476 0.000 1.046 149 K CA 1.402 57.425 56.287 -0.440 0.000 0.938 149 K CB -0.537 31.577 32.500 -0.645 0.000 0.737 149 K HN 0.787 nan 8.250 nan 0.000 0.458 150 W N 0.876 122.171 121.300 -0.009 0.000 3.353 150 W HA 0.331 4.993 4.660 0.004 0.000 0.304 150 W C 0.615 177.145 176.519 0.018 0.000 1.273 150 W CA -0.126 57.217 57.345 -0.003 0.000 1.773 150 W CB 0.255 29.703 29.460 -0.020 0.000 1.095 150 W HN 0.305 nan 8.180 nan 0.000 0.676 151 G N 0.932 109.832 108.800 0.168 0.000 2.182 151 G HA2 -0.238 3.724 3.960 0.004 0.000 0.248 151 G HA3 -0.238 3.724 3.960 0.004 0.000 0.248 151 G C -0.111 174.884 174.900 0.159 0.000 1.042 151 G CA 0.121 45.304 45.100 0.138 0.000 0.775 151 G HN 0.115 nan 8.290 nan 0.000 0.501 152 S N -1.250 114.574 115.700 0.207 0.000 2.532 152 S HA 0.662 5.134 4.470 0.004 0.000 0.301 152 S C 0.386 175.142 174.600 0.260 0.000 1.083 152 S CA -0.369 57.974 58.200 0.237 0.000 1.025 152 S CB 1.452 64.856 63.200 0.340 0.000 1.056 152 S HN 0.582 nan 8.310 nan 0.000 0.494 153 c N 2.732 121.411 118.600 0.133 0.000 2.401 153 c HA 0.951 5.523 4.570 0.004 0.000 0.365 153 c C 1.027 174.909 174.090 -0.346 0.000 1.250 153 c CA -0.129 56.210 56.329 0.017 0.000 2.131 153 c CB -0.031 42.521 42.510 0.071 0.000 2.445 153 c HN 1.046 nan 8.230 nan 0.000 0.550 154 G N 1.853 110.269 108.800 -0.640 0.000 2.340 154 G HA2 0.572 4.534 3.960 0.004 0.000 0.299 154 G HA3 0.572 4.534 3.960 0.004 0.000 0.299 154 G C -1.976 172.428 174.900 -0.826 0.000 1.291 154 G CA -0.503 43.835 45.100 -1.269 0.000 0.841 154 G HN 0.604 nan 8.290 nan 0.000 0.500 155 I N 0.392 120.568 120.570 -0.657 0.000 2.534 155 I HA 0.714 4.886 4.170 0.004 0.000 0.288 155 I C 0.300 176.420 176.117 0.004 0.000 1.077 155 I CA -0.020 61.173 61.300 -0.179 0.000 1.051 155 I CB 2.169 40.101 38.000 -0.115 0.000 1.234 155 I HN 1.435 nan 8.210 nan 0.000 0.425 156 G N 5.893 114.789 108.800 0.160 0.000 2.353 156 G HA2 0.113 4.075 3.960 0.004 0.000 0.308 156 G HA3 0.113 4.075 3.960 0.004 0.000 0.308 156 G C -2.935 172.085 174.900 0.199 0.000 1.418 156 G CA -0.651 44.568 45.100 0.199 0.000 0.966 156 G HN 0.298 nan 8.290 nan 0.000 0.638 157 P HA 0.006 nan 4.420 nan 0.000 0.218 157 P C 1.888 179.201 177.300 0.022 0.000 1.149 157 P CA 1.876 65.011 63.100 0.059 0.000 0.817 157 P CB -0.047 31.675 31.700 0.037 0.000 0.785 158 G N -1.704 107.081 108.800 -0.024 0.000 2.448 158 G HA2 -0.204 3.758 3.960 0.004 0.000 0.218 158 G HA3 -0.204 3.758 3.960 0.004 0.000 0.218 158 G C 1.115 175.852 174.900 -0.272 0.000 1.135 158 G CA 0.473 45.466 45.100 -0.179 0.000 0.784 158 G HN 0.244 nan 8.290 nan 0.000 0.543 159 Y N -0.466 119.848 120.300 0.023 0.000 2.314 159 Y HA 0.123 4.675 4.550 0.004 0.000 0.294 159 Y C 2.759 178.664 175.900 0.009 0.000 1.139 159 Y CA 0.372 58.484 58.100 0.019 0.000 1.162 159 Y CB -0.256 38.212 38.460 0.014 0.000 1.121 159 Y HN 0.138 nan 8.280 nan 0.000 0.529 160 c N 0.274 118.986 118.600 0.186 0.000 2.618 160 c HA 0.342 4.914 4.570 0.004 0.000 0.264 160 c C 1.858 175.979 174.090 0.052 0.000 1.334 160 c CA 0.154 56.546 56.329 0.105 0.000 1.731 160 c CB -1.613 40.955 42.510 0.096 0.000 1.852 160 c HN 0.573 nan 8.230 nan 0.000 0.566 161 G N 0.172 108.992 108.800 0.033 0.000 2.829 161 G HA2 0.485 4.448 3.960 0.004 0.000 0.173 161 G HA3 0.485 4.448 3.960 0.004 0.000 0.173 161 G C 0.127 175.015 174.900 -0.019 0.000 1.476 161 G CA 0.284 45.387 45.100 0.005 0.000 1.072 161 G HN 0.526 nan 8.290 nan 0.000 0.577 162 A N -1.093 121.708 122.820 -0.031 0.000 2.589 162 A HA 0.415 4.737 4.320 0.004 0.000 0.259 162 A C 1.687 179.218 177.584 -0.088 0.000 1.000 162 A CA 1.619 53.625 52.037 -0.052 0.000 0.847 162 A CB -1.194 17.776 19.000 -0.050 0.000 0.885 162 A HN 2.586 nan 8.150 nan 0.000 0.508 163 G N 0.867 109.611 108.800 -0.093 0.000 2.162 163 G HA2 -0.248 3.714 3.960 0.004 0.000 0.260 163 G HA3 -0.248 3.714 3.960 0.004 0.000 0.260 163 G C 0.779 175.615 174.900 -0.107 0.000 0.976 163 G CA 0.524 45.545 45.100 -0.131 0.000 0.655 163 G HN 2.111 nan 8.290 nan 0.000 0.533 164 c N 0.628 119.194 118.600 -0.057 0.000 2.596 164 c HA 0.445 5.018 4.570 0.004 0.000 0.414 164 c C 1.972 176.048 174.090 -0.022 0.000 1.396 164 c CA 0.982 57.300 56.329 -0.017 0.000 1.698 164 c CB 0.229 42.749 42.510 0.016 0.000 2.572 164 c HN 0.639 nan 8.230 nan 0.000 0.604 165 Q N 2.710 122.504 119.800 -0.011 0.000 2.297 165 Q HA 0.159 4.501 4.340 0.004 0.000 0.203 165 Q C 0.708 176.711 176.000 0.004 0.000 0.931 165 Q CA 0.878 56.674 55.803 -0.011 0.000 0.885 165 Q CB 0.223 28.953 28.738 -0.012 0.000 0.991 165 Q HN 0.941 nan 8.270 nan 0.000 0.498 166 S N -1.905 113.807 115.700 0.020 0.000 2.611 166 S HA 0.697 5.169 4.470 0.004 0.000 0.268 166 S C -0.088 174.533 174.600 0.035 0.000 1.156 166 S CA -0.422 57.791 58.200 0.021 0.000 0.817 166 S CB 1.623 64.834 63.200 0.018 0.000 1.122 166 S HN 0.469 nan 8.310 nan 0.000 0.466 167 G N 0.122 108.937 108.800 0.026 0.000 2.587 167 G HA2 0.307 4.269 3.960 0.004 0.000 0.212 167 G HA3 0.307 4.269 3.960 0.004 0.000 0.212 167 G C 0.370 175.289 174.900 0.032 0.000 1.327 167 G CA -0.006 45.114 45.100 0.033 0.000 0.898 167 G HN 2.075 nan 8.290 nan 0.000 0.551 168 G N -0.184 108.642 108.800 0.043 0.000 3.180 168 G HA2 0.419 4.381 3.960 0.004 0.000 0.252 168 G HA3 0.419 4.381 3.960 0.004 0.000 0.252 168 G C 0.831 175.756 174.900 0.042 0.000 0.871 168 G CA 0.816 45.938 45.100 0.037 0.000 1.979 168 G HN 1.165 nan 8.290 nan 0.000 0.624 169 c N 0.941 119.563 118.600 0.035 0.000 2.703 169 c HA 0.132 4.705 4.570 0.004 0.000 0.411 169 c C 0.548 174.653 174.090 0.025 0.000 1.290 169 c CA -1.134 55.215 56.329 0.033 0.000 2.054 169 c CB 0.535 43.058 42.510 0.021 0.000 2.732 169 c HN 0.555 nan 8.230 nan 0.000 0.650 170 D N 0.845 121.260 120.400 0.024 0.000 2.345 170 D HA 0.540 5.183 4.640 0.004 0.000 0.247 170 D C 0.387 176.692 176.300 0.010 0.000 1.108 170 D CA 0.661 54.672 54.000 0.018 0.000 0.894 170 D CB 1.278 42.090 40.800 0.020 0.000 1.203 170 D HN 0.886 nan 8.370 nan 0.000 0.430 171 G N 0.000 108.804 108.800 0.007 0.000 5.446 171 G HA2 0.000 3.962 3.960 0.004 0.000 0.244 171 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 171 G CA 0.000 45.102 45.100 0.003 0.000 0.502 171 G HN 0.000 nan 8.290 nan 0.000 0.925