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 1zp6_1_A DATA FIRST_RESID 6 DATA SEQUENCE DLGGNILLLS GHPGSGKSTI AEALANLPGV PKVHFHSDDL WGYIKHGRID DATA SEQUENCE PWLPQSHQQN RXIXQIAADV AGRYAKEGYF VILDGVVRPD WLPAFTALAR DATA SEQUENCE PLHYIVLRTT AAEAIERCLD RGGDSLSDPL VVADLHSQFA DLGAFEHHVL DATA SEQUENCE PVSGKDTDQA LQSAINALQS GRFRID 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.248 176.300 -0.087 0.000 2.045 6 D CA 0.000 53.964 54.000 -0.061 0.000 0.868 6 D CB 0.000 40.775 40.800 -0.041 0.000 0.688 7 L N -0.236 120.875 121.223 -0.185 0.000 2.978 7 L HA 0.750 5.090 4.340 -0.000 0.000 0.239 7 L C 0.434 177.194 176.870 -0.183 0.000 1.293 7 L CA -0.354 54.314 54.840 -0.286 0.000 1.085 7 L CB 0.283 41.924 42.059 -0.697 0.000 1.432 7 L HN -0.023 nan 8.230 nan 0.000 0.512 8 G N -0.714 108.063 108.800 -0.037 0.000 2.476 8 G HA2 0.428 4.388 3.960 -0.000 0.000 0.269 8 G HA3 0.428 4.388 3.960 -0.000 0.000 0.269 8 G C 0.907 175.873 174.900 0.109 0.000 1.195 8 G CA 0.157 45.294 45.100 0.061 0.000 0.843 8 G HN 0.655 nan 8.290 nan 0.000 0.545 9 G N 0.269 109.177 108.800 0.181 0.000 2.153 9 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 9 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 9 G C 0.262 175.295 174.900 0.222 0.000 0.994 9 G CA 0.390 45.604 45.100 0.190 0.000 0.698 9 G HN 0.832 nan 8.290 nan 0.000 0.521 10 N N -0.730 118.141 118.700 0.285 0.000 2.384 10 N HA 0.732 5.471 4.740 -0.000 0.000 0.301 10 N C -0.451 175.346 175.510 0.479 0.000 1.133 10 N CA -0.701 52.561 53.050 0.353 0.000 0.853 10 N CB 1.552 40.204 38.487 0.275 0.000 1.241 10 N HN 0.165 nan 8.380 nan 0.000 0.502 11 I N 1.450 122.278 120.570 0.429 0.000 2.569 11 I HA 0.395 4.565 4.170 -0.000 0.000 0.296 11 I C -1.075 175.259 176.117 0.361 0.000 1.028 11 I CA -0.837 60.671 61.300 0.346 0.000 1.082 11 I CB 2.202 40.376 38.000 0.289 0.000 1.264 11 I HN 0.268 nan 8.210 nan 0.000 0.429 12 L N 6.260 127.617 121.223 0.223 0.000 2.381 12 L HA 0.534 4.874 4.340 -0.000 0.000 0.274 12 L C -1.551 175.367 176.870 0.081 0.000 0.988 12 L CA -0.461 54.506 54.840 0.211 0.000 0.824 12 L CB 1.446 43.601 42.059 0.159 0.000 1.263 12 L HN 0.392 nan 8.230 nan 0.000 0.410 13 L N 6.367 127.663 121.223 0.122 0.000 2.315 13 L HA 0.299 4.639 4.340 -0.000 0.000 0.278 13 L C -0.144 176.804 176.870 0.130 0.000 1.088 13 L CA 0.203 55.077 54.840 0.056 0.000 0.899 13 L CB 0.853 42.947 42.059 0.058 0.000 1.277 13 L HN 0.571 nan 8.230 nan 0.000 0.431 14 L N 2.793 124.034 121.223 0.029 0.000 2.423 14 L HA 0.208 4.548 4.340 -0.000 0.000 0.249 14 L C 0.718 177.581 176.870 -0.011 0.000 1.276 14 L CA 0.363 55.202 54.840 -0.001 0.000 1.199 14 L CB 0.117 42.157 42.059 -0.031 0.000 1.407 14 L HN 0.619 nan 8.230 nan 0.000 0.410 15 S N 1.428 117.158 115.700 0.049 0.000 2.645 15 S HA 0.852 5.322 4.470 -0.000 0.000 0.266 15 S C 0.156 174.745 174.600 -0.018 0.000 1.258 15 S CA 0.326 58.576 58.200 0.084 0.000 0.990 15 S CB 1.570 64.972 63.200 0.337 0.000 0.967 15 S HN 0.849 nan 8.310 nan 0.000 0.556 16 G N 1.126 109.820 108.800 -0.177 0.000 2.352 16 G HA2 0.232 4.192 3.960 -0.000 0.000 0.302 16 G HA3 0.232 4.192 3.960 -0.000 0.000 0.302 16 G C -1.177 173.146 174.900 -0.963 0.000 1.370 16 G CA -0.669 44.173 45.100 -0.429 0.000 0.918 16 G HN 1.086 nan 8.290 nan 0.000 0.610 17 H N -0.271 118.281 119.070 -0.865 0.000 2.615 17 H HA 0.519 5.075 4.556 -0.000 0.000 0.363 17 H C -2.411 172.717 175.328 -0.332 0.000 1.148 17 H CA -1.560 54.080 56.048 -0.679 0.000 1.401 17 H CB 0.945 30.554 29.762 -0.255 0.000 1.461 17 H HN 0.381 nan 8.280 nan 0.000 0.588 18 P HA 0.048 nan 4.420 nan 0.000 0.263 18 P C 0.864 178.047 177.300 -0.195 0.000 1.195 18 P CA 1.438 64.423 63.100 -0.191 0.000 0.762 18 P CB 0.570 32.218 31.700 -0.086 0.000 0.799 19 G N 3.032 111.692 108.800 -0.234 0.000 2.284 19 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.201 19 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.201 19 G C 0.981 175.723 174.900 -0.264 0.000 0.998 19 G CA 0.279 45.269 45.100 -0.184 0.000 0.651 19 G HN 0.555 nan 8.290 nan 0.000 0.489 20 S N 0.641 116.029 115.700 -0.520 0.000 2.603 20 S HA 0.397 4.867 4.470 -0.000 0.000 0.229 20 S C 1.981 176.448 174.600 -0.222 0.000 0.972 20 S CA 1.283 59.232 58.200 -0.418 0.000 0.935 20 S CB 0.024 62.849 63.200 -0.624 0.000 0.769 20 S HN 2.353 nan 8.310 nan 0.000 0.536 21 G N 1.900 110.587 108.800 -0.189 0.000 2.212 21 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.255 21 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.255 21 G C 0.556 175.390 174.900 -0.110 0.000 1.062 21 G CA 0.332 45.360 45.100 -0.119 0.000 0.815 21 G HN 0.523 nan 8.290 nan 0.000 0.497 22 K N 0.069 120.393 120.400 -0.126 0.000 2.103 22 K HA -0.099 4.220 4.320 -0.000 0.000 0.207 22 K C 2.731 179.303 176.600 -0.047 0.000 1.048 22 K CA 1.564 57.793 56.287 -0.097 0.000 0.930 22 K CB -0.196 32.236 32.500 -0.113 0.000 0.716 22 K HN 0.432 nan 8.250 nan 0.000 0.444 23 S N 0.516 116.210 115.700 -0.009 0.000 2.335 23 S HA -0.150 4.319 4.470 -0.000 0.000 0.216 23 S C 1.994 176.520 174.600 -0.122 0.000 1.032 23 S CA 1.961 60.188 58.200 0.044 0.000 1.000 23 S CB -0.485 62.792 63.200 0.128 0.000 0.928 23 S HN 0.269 nan 8.310 nan 0.000 0.434 24 T N 2.683 117.181 114.554 -0.093 0.000 2.699 24 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 24 T C 1.732 176.348 174.700 -0.139 0.000 1.036 24 T CA 1.826 63.857 62.100 -0.115 0.000 1.147 24 T CB -0.494 68.328 68.868 -0.078 0.000 0.862 24 T HN 0.451 nan 8.240 nan 0.000 0.446 25 I N 0.839 121.337 120.570 -0.121 0.000 2.439 25 I HA -0.069 4.101 4.170 -0.000 0.000 0.251 25 I C 2.806 178.839 176.117 -0.138 0.000 1.139 25 I CA 0.808 62.041 61.300 -0.112 0.000 1.438 25 I CB -0.391 37.554 38.000 -0.093 0.000 1.085 25 I HN 0.201 nan 8.210 nan 0.000 0.427 26 A N 0.631 123.341 122.820 -0.183 0.000 1.874 26 A HA -0.186 4.134 4.320 -0.000 0.000 0.214 26 A C 2.208 179.556 177.584 -0.394 0.000 1.189 26 A CA 1.492 53.405 52.037 -0.207 0.000 0.615 26 A CB -0.447 18.526 19.000 -0.046 0.000 0.830 26 A HN 0.362 nan 8.150 nan 0.000 0.443 27 E N 0.555 120.321 120.200 -0.723 0.000 2.023 27 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 27 E C 2.011 178.465 176.600 -0.243 0.000 1.003 27 E CA 1.980 58.017 56.400 -0.604 0.000 0.809 27 E CB -0.501 28.917 29.700 -0.470 0.000 0.755 27 E HN 0.439 nan 8.360 nan 0.000 0.449 28 A N 0.148 122.858 122.820 -0.184 0.000 1.978 28 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 28 A C 2.202 179.744 177.584 -0.071 0.000 1.170 28 A CA 1.567 53.543 52.037 -0.102 0.000 0.636 28 A CB -0.709 18.240 19.000 -0.085 0.000 0.810 28 A HN 0.398 nan 8.150 nan 0.000 0.448 29 L N -0.957 120.217 121.223 -0.082 0.000 2.240 29 L HA 0.117 4.457 4.340 -0.000 0.000 0.211 29 L C 2.581 179.446 176.870 -0.009 0.000 1.106 29 L CA 1.622 56.444 54.840 -0.029 0.000 0.793 29 L CB -0.485 41.557 42.059 -0.029 0.000 0.927 29 L HN 0.328 nan 8.230 nan 0.000 0.446 30 A N -1.093 121.692 122.820 -0.058 0.000 1.970 30 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 30 A C 1.900 179.487 177.584 0.005 0.000 1.170 30 A CA 1.061 53.078 52.037 -0.034 0.000 0.645 30 A CB -0.480 18.503 19.000 -0.028 0.000 0.816 30 A HN 0.498 nan 8.150 nan 0.000 0.447 31 N N -0.193 118.500 118.700 -0.013 0.000 2.521 31 N HA 0.045 4.785 4.740 -0.000 0.000 0.188 31 N C -0.282 175.236 175.510 0.013 0.000 1.146 31 N CA 0.111 53.162 53.050 0.000 0.000 0.893 31 N CB -0.129 38.347 38.487 -0.017 0.000 0.975 31 N HN 0.297 nan 8.380 nan 0.000 0.451 32 L N 2.874 124.112 121.223 0.024 0.000 2.453 32 L HA 0.139 4.479 4.340 -0.000 0.000 0.272 32 L C -1.545 175.351 176.870 0.043 0.000 1.182 32 L CA -1.060 53.800 54.840 0.033 0.000 0.858 32 L CB 0.312 42.401 42.059 0.050 0.000 1.120 32 L HN 0.046 nan 8.230 nan 0.000 0.474 33 P HA 0.315 nan 4.420 nan 0.000 0.274 33 P C 0.218 177.537 177.300 0.031 0.000 1.264 33 P CA 0.400 63.516 63.100 0.027 0.000 0.795 33 P CB 0.799 32.508 31.700 0.015 0.000 1.064 34 G N -1.176 107.638 108.800 0.023 0.000 2.785 34 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 34 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 34 G C -0.208 174.704 174.900 0.020 0.000 1.251 34 G CA -0.053 45.057 45.100 0.017 0.000 1.129 34 G HN 0.699 nan 8.290 nan 0.000 0.573 35 V N 0.254 120.185 119.914 0.029 0.000 2.834 35 V HA 0.690 4.810 4.120 -0.000 0.000 0.301 35 V C -1.747 174.386 176.094 0.065 0.000 1.066 35 V CA -1.152 61.164 62.300 0.026 0.000 1.052 35 V CB 1.068 32.905 31.823 0.023 0.000 1.021 35 V HN 0.846 nan 8.190 nan 0.000 0.480 36 P HA 0.243 nan 4.420 nan 0.000 0.266 36 P C -0.710 176.750 177.300 0.267 0.000 1.215 36 P CA 0.178 63.331 63.100 0.088 0.000 0.763 36 P CB 0.481 32.122 31.700 -0.099 0.000 0.806 37 K N 1.654 122.199 120.400 0.241 0.000 2.288 37 K HA 0.737 5.057 4.320 -0.000 0.000 0.234 37 K C -0.744 175.894 176.600 0.064 0.000 1.037 37 K CA -1.190 55.211 56.287 0.190 0.000 0.914 37 K CB 1.893 34.466 32.500 0.121 0.000 1.197 37 K HN 0.241 nan 8.250 nan 0.000 0.471 38 V N 1.289 121.135 119.914 -0.114 0.000 2.737 38 V HA 0.207 4.327 4.120 -0.000 0.000 0.298 38 V C -2.016 173.977 176.094 -0.169 0.000 1.163 38 V CA -0.586 61.562 62.300 -0.253 0.000 0.925 38 V CB 1.499 32.902 31.823 -0.700 0.000 1.037 38 V HN 0.851 nan 8.190 nan 0.000 0.433 39 H N 7.556 126.532 119.070 -0.157 0.000 2.741 39 H HA 0.480 5.035 4.556 -0.000 0.000 0.282 39 H C -1.209 174.141 175.328 0.036 0.000 1.122 39 H CA -0.944 55.059 56.048 -0.076 0.000 1.293 39 H CB 0.770 30.503 29.762 -0.049 0.000 1.415 39 H HN 0.584 nan 8.280 nan 0.000 0.472 40 F N 6.656 126.385 119.950 -0.367 0.000 2.368 40 F HA 0.159 4.686 4.527 -0.000 0.000 0.362 40 F C -0.270 175.334 175.800 -0.326 0.000 1.137 40 F CA -0.736 57.079 58.000 -0.308 0.000 1.161 40 F CB -0.210 38.681 39.000 -0.181 0.000 1.265 40 F HN 0.655 nan 8.300 nan 0.000 0.530 41 H N 5.108 123.993 119.070 -0.307 0.000 3.092 41 H HA 0.078 4.634 4.556 -0.000 0.000 0.263 41 H C 1.279 176.316 175.328 -0.485 0.000 1.611 41 H CA 0.607 56.407 56.048 -0.413 0.000 1.457 41 H CB 0.566 30.141 29.762 -0.311 0.000 1.731 41 H HN 0.727 nan 8.280 nan 0.000 0.532 42 S N 1.678 116.839 115.700 -0.898 0.000 2.440 42 S HA -0.202 4.268 4.470 -0.000 0.000 0.240 42 S C 1.494 175.819 174.600 -0.458 0.000 1.014 42 S CA 1.466 59.085 58.200 -0.968 0.000 0.980 42 S CB 0.073 62.737 63.200 -0.893 0.000 0.775 42 S HN 0.518 nan 8.310 nan 0.000 0.499 43 D N 1.632 121.780 120.400 -0.421 0.000 2.350 43 D HA -0.020 4.620 4.640 -0.000 0.000 0.216 43 D C 1.232 177.284 176.300 -0.414 0.000 0.968 43 D CA 0.707 54.588 54.000 -0.199 0.000 0.894 43 D CB -0.334 40.371 40.800 -0.159 0.000 0.909 43 D HN 0.386 nan 8.370 nan 0.000 0.520 44 D N -0.286 119.906 120.400 -0.347 0.000 2.350 44 D HA -0.094 4.546 4.640 -0.000 0.000 0.216 44 D C 1.836 177.517 176.300 -1.032 0.000 0.968 44 D CA 0.095 53.706 54.000 -0.648 0.000 0.894 44 D CB 0.310 40.808 40.800 -0.502 0.000 0.909 44 D HN 0.258 nan 8.370 nan 0.000 0.520 45 L N 0.726 121.598 121.223 -0.584 0.000 2.093 45 L HA -0.115 4.224 4.340 -0.000 0.000 0.208 45 L C 2.352 179.094 176.870 -0.212 0.000 1.085 45 L CA 1.184 55.817 54.840 -0.345 0.000 0.755 45 L CB -1.198 40.806 42.059 -0.091 0.000 0.904 45 L HN 0.417 nan 8.230 nan 0.000 0.435 46 W N -0.918 120.265 121.300 -0.195 0.000 2.704 46 W HA 0.182 4.842 4.660 -0.000 0.000 0.266 46 W C 1.659 178.114 176.519 -0.107 0.000 1.266 46 W CA 0.605 57.874 57.345 -0.128 0.000 1.377 46 W CB -1.297 28.076 29.460 -0.144 0.000 1.082 46 W HN 0.148 nan 8.180 nan 0.000 0.608 47 G N 0.784 108.894 108.800 -1.151 0.000 2.470 47 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 47 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 47 G C 1.357 176.075 174.900 -0.303 0.000 1.121 47 G CA 0.717 45.258 45.100 -0.931 0.000 0.766 47 G HN 0.403 nan 8.290 nan 0.000 0.553 48 Y N -0.420 119.747 120.300 -0.222 0.000 2.373 48 Y HA 0.110 4.659 4.550 -0.000 0.000 0.293 48 Y C 1.409 177.277 175.900 -0.053 0.000 1.129 48 Y CA -0.809 57.227 58.100 -0.106 0.000 1.226 48 Y CB 0.223 38.645 38.460 -0.064 0.000 1.000 48 Y HN 0.182 nan 8.280 nan 0.000 0.549 49 I N 1.912 122.553 120.570 0.118 0.000 2.474 49 I HA 0.159 4.329 4.170 -0.000 0.000 0.287 49 I C -0.666 175.504 176.117 0.088 0.000 1.048 49 I CA -0.636 60.726 61.300 0.103 0.000 1.383 49 I CB 0.449 38.512 38.000 0.106 0.000 1.412 49 I HN -0.046 nan 8.210 nan 0.000 0.531 50 K N 5.243 125.697 120.400 0.090 0.000 2.468 50 K HA 0.421 4.740 4.320 -0.000 0.000 0.252 50 K C -1.122 175.578 176.600 0.168 0.000 0.932 50 K CA -1.105 55.243 56.287 0.102 0.000 0.794 50 K CB 1.394 33.941 32.500 0.079 0.000 1.241 50 K HN 0.812 nan 8.250 nan 0.000 0.428 51 H N 0.558 119.644 119.070 0.026 0.000 3.650 51 H HA -0.091 4.464 4.556 -0.000 0.000 0.336 51 H C 0.389 175.729 175.328 0.019 0.000 0.954 51 H CA 1.546 57.605 56.048 0.019 0.000 1.020 51 H CB -1.203 28.567 29.762 0.014 0.000 1.472 51 H HN 1.197 nan 8.280 nan 0.000 0.357 52 G N 3.110 111.766 108.800 -0.239 0.000 2.138 52 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.193 52 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.193 52 G C 1.155 176.007 174.900 -0.080 0.000 0.998 52 G CA 0.754 45.725 45.100 -0.215 0.000 0.668 52 G HN 0.818 nan 8.290 nan 0.000 0.516 53 R N 0.495 120.978 120.500 -0.029 0.000 2.103 53 R HA 0.098 4.437 4.340 -0.000 0.000 0.234 53 R C 1.439 177.718 176.300 -0.035 0.000 1.132 53 R CA 1.991 58.104 56.100 0.022 0.000 0.925 53 R CB -0.564 29.773 30.300 0.062 0.000 0.842 53 R HN 1.284 nan 8.270 nan 0.000 0.430 54 I N 1.668 122.184 120.570 -0.090 0.000 8.032 54 I HA -0.249 3.921 4.170 -0.000 0.000 0.126 54 I C -0.974 174.967 176.117 -0.293 0.000 1.845 54 I CA 0.272 61.478 61.300 -0.157 0.000 2.048 54 I CB -0.634 37.288 38.000 -0.130 0.000 3.748 54 I HN 0.445 nan 8.210 nan 0.000 0.173 55 D N 9.155 129.309 120.400 -0.409 0.000 2.525 55 D HA 0.014 4.654 4.640 -0.000 0.000 0.235 55 D C -1.018 174.800 176.300 -0.804 0.000 1.137 55 D CA -0.617 52.896 54.000 -0.811 0.000 0.868 55 D CB 0.664 40.873 40.800 -0.984 0.000 1.180 55 D HN 0.387 nan 8.370 nan 0.000 0.465 56 P HA -0.093 nan 4.420 nan 0.000 0.239 56 P C 1.049 178.258 177.300 -0.152 0.000 1.184 56 P CA 0.661 63.367 63.100 -0.656 0.000 0.760 56 P CB 0.015 31.180 31.700 -0.891 0.000 0.884 57 W N -0.057 121.110 121.300 -0.221 0.000 2.380 57 W HA 0.140 4.800 4.660 -0.000 0.000 0.317 57 W C 0.783 177.240 176.519 -0.104 0.000 1.196 57 W CA -0.513 56.755 57.345 -0.129 0.000 1.307 57 W CB -0.172 29.226 29.460 -0.103 0.000 1.157 57 W HN -0.096 nan 8.180 nan 0.000 0.483 58 L N -1.886 119.391 121.223 0.091 0.000 3.129 58 L HA 0.040 4.380 4.340 -0.000 0.000 0.231 58 L C -2.252 174.584 176.870 -0.056 0.000 0.989 58 L CA -0.642 54.190 54.840 -0.013 0.000 1.068 58 L CB 0.680 42.762 42.059 0.038 0.000 1.476 58 L HN -0.276 nan 8.230 nan 0.000 0.410 59 P HA 0.122 nan 4.420 nan 0.000 0.238 59 P C 0.386 177.407 177.300 -0.465 0.000 1.153 59 P CA 0.292 63.265 63.100 -0.212 0.000 0.900 59 P CB 0.652 32.289 31.700 -0.104 0.000 1.009 60 Q N 0.681 120.310 119.800 -0.286 0.000 2.591 60 Q HA 0.057 4.396 4.340 -0.000 0.000 0.219 60 Q C 1.357 177.218 176.000 -0.231 0.000 0.981 60 Q CA 0.641 56.298 55.803 -0.244 0.000 0.945 60 Q CB -1.274 27.400 28.738 -0.106 0.000 0.985 60 Q HN 0.142 nan 8.270 nan 0.000 0.542 61 S N 0.307 115.840 115.700 -0.278 0.000 2.906 61 S HA -0.001 4.469 4.470 -0.000 0.000 0.234 61 S C 0.666 175.227 174.600 -0.064 0.000 0.973 61 S CA -0.181 57.922 58.200 -0.162 0.000 1.036 61 S CB -0.174 62.930 63.200 -0.159 0.000 0.798 61 S HN 0.442 nan 8.310 nan 0.000 0.498 62 H N 1.742 120.830 119.070 0.030 0.000 2.300 62 H HA -0.030 4.526 4.556 -0.000 0.000 0.302 62 H C 2.280 177.657 175.328 0.081 0.000 1.049 62 H CA 1.501 57.586 56.048 0.062 0.000 1.254 62 H CB -0.674 29.114 29.762 0.043 0.000 1.396 62 H HN 0.353 nan 8.280 nan 0.000 0.518 63 Q N 1.059 120.981 119.800 0.203 0.000 2.297 63 Q HA -0.098 4.242 4.340 -0.000 0.000 0.204 63 Q C 2.328 178.372 176.000 0.073 0.000 0.962 63 Q CA 1.261 57.140 55.803 0.127 0.000 0.879 63 Q CB 0.008 28.801 28.738 0.092 0.000 0.947 63 Q HN 0.531 nan 8.270 nan 0.000 0.462 64 Q N -0.302 119.524 119.800 0.044 0.000 1.993 64 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 64 Q C 1.308 177.298 176.000 -0.016 0.000 0.984 64 Q CA 1.871 57.677 55.803 0.006 0.000 0.837 64 Q CB -0.133 28.590 28.738 -0.025 0.000 0.902 64 Q HN 0.381 nan 8.270 nan 0.000 0.423 65 N N 0.598 119.287 118.700 -0.018 0.000 2.104 65 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 65 N C 0.836 176.238 175.510 -0.180 0.000 1.024 65 N CA 0.685 53.688 53.050 -0.078 0.000 0.853 65 N CB -0.519 37.972 38.487 0.006 0.000 1.008 65 N HN 0.131 nan 8.380 nan 0.000 0.424 71 I N 1.939 122.454 120.570 -0.091 0.000 2.058 71 I HA -0.284 3.885 4.170 -0.000 0.000 0.235 71 I C 2.472 178.612 176.117 0.038 0.000 1.053 71 I CA 1.684 62.977 61.300 -0.013 0.000 1.313 71 I CB -0.485 37.531 38.000 0.027 0.000 1.039 71 I HN 0.313 nan 8.210 nan 0.000 0.396 72 A N 0.826 123.690 122.820 0.073 0.000 1.954 72 A HA -0.338 3.982 4.320 -0.000 0.000 0.222 72 A C 2.453 180.176 177.584 0.232 0.000 1.199 72 A CA 2.709 54.886 52.037 0.234 0.000 0.657 72 A CB -1.100 17.961 19.000 0.103 0.000 0.823 72 A HN 0.566 nan 8.150 nan 0.000 0.463 73 A N -0.836 121.898 122.820 -0.143 0.000 1.968 73 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 73 A C 1.878 179.408 177.584 -0.091 0.000 1.169 73 A CA 1.932 53.716 52.037 -0.422 0.000 0.638 73 A CB -0.478 17.919 19.000 -1.004 0.000 0.812 73 A HN 0.579 nan 8.150 nan 0.000 0.446 74 D N 0.114 120.481 120.400 -0.055 0.000 2.084 74 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 74 D C 1.894 178.206 176.300 0.019 0.000 0.985 74 D CA 1.739 55.728 54.000 -0.019 0.000 0.826 74 D CB -0.338 40.445 40.800 -0.029 0.000 0.978 74 D HN 0.138 nan 8.370 nan 0.000 0.456 75 V N 1.318 121.261 119.914 0.049 0.000 2.380 75 V HA -0.263 3.857 4.120 -0.000 0.000 0.251 75 V C 2.723 178.851 176.094 0.057 0.000 1.063 75 V CA 1.932 64.219 62.300 -0.022 0.000 1.055 75 V CB -1.131 30.674 31.823 -0.029 0.000 0.657 75 V HN 0.342 nan 8.190 nan 0.000 0.455 76 A N 0.599 123.571 122.820 0.253 0.000 1.877 76 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 76 A C 2.463 180.194 177.584 0.245 0.000 1.186 76 A CA 1.996 54.234 52.037 0.336 0.000 0.620 76 A CB -1.293 17.990 19.000 0.472 0.000 0.822 76 A HN 0.528 nan 8.150 nan 0.000 0.443 77 G N -0.564 108.339 108.800 0.172 0.000 2.440 77 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 77 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 77 G C 1.692 176.646 174.900 0.090 0.000 1.154 77 G CA 0.838 46.017 45.100 0.130 0.000 0.767 77 G HN 0.416 nan 8.290 nan 0.000 0.552 78 R N -0.144 120.358 120.500 0.003 0.000 2.112 78 R HA -0.155 4.185 4.340 -0.000 0.000 0.242 78 R C 2.294 178.559 176.300 -0.059 0.000 1.137 78 R CA 1.729 57.769 56.100 -0.100 0.000 0.944 78 R CB -1.153 28.972 30.300 -0.291 0.000 0.857 78 R HN 0.573 nan 8.270 nan 0.000 0.435 79 Y N 0.470 120.749 120.300 -0.035 0.000 2.163 79 Y HA -0.193 4.356 4.550 -0.000 0.000 0.288 79 Y C 2.671 178.681 175.900 0.184 0.000 1.136 79 Y CA 1.096 59.171 58.100 -0.042 0.000 1.147 79 Y CB -0.477 37.838 38.460 -0.243 0.000 0.987 79 Y HN 0.164 nan 8.280 nan 0.000 0.509 80 A N 0.735 123.754 122.820 0.331 0.000 1.859 80 A HA -0.351 3.969 4.320 -0.000 0.000 0.217 80 A C 2.124 179.848 177.584 0.234 0.000 1.198 80 A CA 2.366 54.578 52.037 0.292 0.000 0.629 80 A CB -0.930 18.218 19.000 0.246 0.000 0.830 80 A HN 0.457 nan 8.150 nan 0.000 0.446 81 K N -0.120 120.384 120.400 0.173 0.000 2.107 81 K HA -0.200 4.119 4.320 -0.000 0.000 0.211 81 K C 0.692 177.370 176.600 0.131 0.000 1.049 81 K CA 1.886 58.248 56.287 0.125 0.000 0.927 81 K CB -0.143 32.407 32.500 0.084 0.000 0.714 81 K HN 0.355 nan 8.250 nan 0.000 0.452 82 E N 0.780 121.089 120.200 0.182 0.000 2.351 82 E HA 0.116 4.466 4.350 -0.000 0.000 0.236 82 E C -0.415 176.279 176.600 0.156 0.000 1.341 82 E CA 0.496 57.002 56.400 0.176 0.000 1.579 82 E CB -0.310 29.526 29.700 0.227 0.000 1.393 82 E HN 0.539 nan 8.360 nan 0.000 0.438 83 G N 1.523 110.398 108.800 0.125 0.000 2.329 83 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.204 83 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.204 83 G C -0.664 174.229 174.900 -0.012 0.000 0.435 83 G CA 0.493 45.626 45.100 0.056 0.000 0.977 83 G HN 0.372 nan 8.290 nan 0.000 0.366 84 Y N -0.200 120.189 120.300 0.147 0.000 2.713 84 Y HA 0.551 5.101 4.550 -0.000 0.000 0.335 84 Y C -0.364 175.681 175.900 0.241 0.000 1.222 84 Y CA -1.198 57.000 58.100 0.163 0.000 1.061 84 Y CB 1.672 40.229 38.460 0.161 0.000 1.314 84 Y HN 0.579 nan 8.280 nan 0.000 0.453 85 F N 3.615 123.719 119.950 0.257 0.000 2.434 85 F HA 0.658 5.184 4.527 -0.000 0.000 0.367 85 F C -1.278 174.590 175.800 0.113 0.000 1.093 85 F CA -0.853 57.234 58.000 0.146 0.000 1.085 85 F CB 0.323 39.374 39.000 0.086 0.000 1.322 85 F HN 0.152 nan 8.300 nan 0.000 0.452 86 V N 6.759 126.720 119.914 0.077 0.000 2.775 86 V HA 0.271 4.391 4.120 -0.000 0.000 0.299 86 V C 0.214 176.132 176.094 -0.295 0.000 1.062 86 V CA -0.255 61.979 62.300 -0.110 0.000 1.063 86 V CB 1.618 33.491 31.823 0.083 0.000 0.994 86 V HN 0.620 nan 8.190 nan 0.000 0.483 87 I N 4.352 124.782 120.570 -0.233 0.000 2.529 87 I HA 0.317 4.487 4.170 -0.000 0.000 0.284 87 I C -1.117 174.982 176.117 -0.030 0.000 1.088 87 I CA -0.300 60.875 61.300 -0.209 0.000 1.062 87 I CB 1.760 39.562 38.000 -0.329 0.000 1.218 87 I HN 0.389 nan 8.210 nan 0.000 0.442 88 L N 5.631 126.834 121.223 -0.034 0.000 2.265 88 L HA 0.307 4.647 4.340 -0.000 0.000 0.288 88 L C 0.187 176.978 176.870 -0.133 0.000 1.058 88 L CA -0.115 54.654 54.840 -0.118 0.000 0.809 88 L CB 0.674 42.630 42.059 -0.172 0.000 1.179 88 L HN 0.452 nan 8.230 nan 0.000 0.429 89 D N 3.405 123.701 120.400 -0.173 0.000 2.524 89 D HA 0.528 5.168 4.640 -0.000 0.000 0.222 89 D C -0.067 176.065 176.300 -0.279 0.000 1.142 89 D CA -0.047 53.880 54.000 -0.121 0.000 0.973 89 D CB 0.334 41.177 40.800 0.073 0.000 1.025 89 D HN 0.592 nan 8.370 nan 0.000 0.519 90 G N 0.475 109.156 108.800 -0.198 0.000 2.547 90 G HA2 0.329 4.288 3.960 -0.000 0.000 0.291 90 G HA3 0.329 4.288 3.960 -0.000 0.000 0.291 90 G C -1.244 173.618 174.900 -0.062 0.000 1.471 90 G CA -0.721 44.275 45.100 -0.175 0.000 0.798 90 G HN 0.131 nan 8.290 nan 0.000 0.504 91 V N 0.146 120.061 119.914 0.002 0.000 2.529 91 V HA 0.384 4.504 4.120 -0.000 0.000 0.292 91 V C 0.072 176.269 176.094 0.170 0.000 1.028 91 V CA 0.092 62.480 62.300 0.147 0.000 1.074 91 V CB 1.088 33.043 31.823 0.220 0.000 0.958 91 V HN 0.602 nan 8.190 nan 0.000 0.481 92 V N 6.582 126.644 119.914 0.247 0.000 2.595 92 V HA 0.327 4.446 4.120 -0.000 0.000 0.269 92 V C 0.199 176.392 176.094 0.165 0.000 0.982 92 V CA -0.784 61.613 62.300 0.162 0.000 0.873 92 V CB 1.149 32.956 31.823 -0.026 0.000 1.051 92 V HN 0.865 nan 8.190 nan 0.000 0.466 93 R N 5.019 125.614 120.500 0.158 0.000 2.679 93 R HA 0.231 4.571 4.340 -0.000 0.000 0.269 93 R C -1.309 174.898 176.300 -0.154 0.000 1.076 93 R CA -1.382 54.709 56.100 -0.015 0.000 1.160 93 R CB 0.578 30.855 30.300 -0.037 0.000 1.054 93 R HN 0.339 nan 8.270 nan 0.000 0.507 94 P HA -0.179 nan 4.420 nan 0.000 0.224 94 P C -0.234 176.878 177.300 -0.313 0.000 1.142 94 P CA 1.181 63.913 63.100 -0.612 0.000 0.778 94 P CB 0.237 31.357 31.700 -0.967 0.000 0.764 95 D N -0.600 119.668 120.400 -0.220 0.000 2.117 95 D HA -0.146 4.493 4.640 -0.000 0.000 0.197 95 D C 1.526 177.610 176.300 -0.361 0.000 0.987 95 D CA 1.169 54.994 54.000 -0.292 0.000 0.829 95 D CB -0.942 39.633 40.800 -0.375 0.000 0.961 95 D HN 0.374 nan 8.370 nan 0.000 0.460 96 W N 0.556 121.825 121.300 -0.052 0.000 3.290 96 W HA 0.174 4.833 4.660 -0.000 0.000 0.287 96 W C 1.707 178.265 176.519 0.065 0.000 1.288 96 W CA -0.591 56.766 57.345 0.020 0.000 1.725 96 W CB 0.102 29.616 29.460 0.091 0.000 1.103 96 W HN -0.102 nan 8.180 nan 0.000 0.670 97 L N 2.352 123.625 121.223 0.082 0.000 2.021 97 L HA -0.190 4.150 4.340 -0.000 0.000 0.215 97 L C -0.187 176.772 176.870 0.149 0.000 1.074 97 L CA 2.199 57.050 54.840 0.019 0.000 0.760 97 L CB -2.309 39.610 42.059 -0.233 0.000 0.889 97 L HN -0.058 nan 8.230 nan 0.000 0.433 98 P HA -0.113 nan 4.420 nan 0.000 0.226 98 P C 0.977 178.338 177.300 0.103 0.000 1.146 98 P CA 1.365 64.515 63.100 0.083 0.000 0.773 98 P CB -0.025 31.692 31.700 0.029 0.000 0.772 99 A N -2.198 120.718 122.820 0.161 0.000 2.251 99 A HA 0.162 4.482 4.320 -0.000 0.000 0.209 99 A C 1.431 178.893 177.584 -0.203 0.000 1.187 99 A CA 0.336 52.407 52.037 0.056 0.000 0.823 99 A CB -0.905 18.236 19.000 0.235 0.000 0.846 99 A HN 0.093 nan 8.150 nan 0.000 0.486 100 F N -0.981 119.021 119.950 0.087 0.000 2.711 100 F HA 0.035 4.562 4.527 -0.000 0.000 0.296 100 F C 2.532 178.375 175.800 0.070 0.000 1.096 100 F CA 1.230 59.274 58.000 0.073 0.000 1.280 100 F CB -0.037 38.993 39.000 0.051 0.000 1.060 100 F HN 0.218 nan 8.300 nan 0.000 0.608 101 T N -1.661 113.022 114.554 0.216 0.000 2.904 101 T HA -0.045 4.304 4.350 -0.000 0.000 0.267 101 T C 2.134 176.900 174.700 0.110 0.000 1.059 101 T CA 0.887 63.078 62.100 0.151 0.000 1.137 101 T CB -0.679 68.260 68.868 0.118 0.000 0.879 101 T HN 0.127 nan 8.240 nan 0.000 0.467 102 A N 1.283 124.153 122.820 0.083 0.000 2.234 102 A HA 0.181 4.501 4.320 -0.000 0.000 0.216 102 A C 2.065 179.681 177.584 0.054 0.000 1.167 102 A CA 0.700 52.769 52.037 0.054 0.000 0.698 102 A CB -1.028 17.990 19.000 0.030 0.000 0.779 102 A HN 0.602 nan 8.150 nan 0.000 0.475 103 L N -1.127 120.144 121.223 0.079 0.000 2.627 103 L HA 0.128 4.467 4.340 -0.000 0.000 0.233 103 L C 1.665 178.591 176.870 0.094 0.000 1.144 103 L CA 0.219 55.111 54.840 0.088 0.000 0.892 103 L CB -0.469 41.669 42.059 0.132 0.000 1.039 103 L HN 0.512 nan 8.230 nan 0.000 0.442 104 A N 0.549 123.420 122.820 0.084 0.000 2.681 104 A HA -0.270 4.050 4.320 -0.000 0.000 0.304 104 A C 0.544 178.182 177.584 0.091 0.000 1.516 104 A CA 1.147 53.231 52.037 0.078 0.000 0.837 104 A CB -1.305 17.732 19.000 0.061 0.000 0.998 104 A HN 0.549 nan 8.150 nan 0.000 0.466 105 R N -0.610 119.959 120.500 0.115 0.000 2.795 105 R HA 0.612 4.952 4.340 -0.000 0.000 0.275 105 R C -2.918 173.467 176.300 0.142 0.000 0.981 105 R CA -1.755 54.423 56.100 0.131 0.000 0.917 105 R CB 1.883 32.277 30.300 0.157 0.000 1.202 105 R HN 0.167 nan 8.270 nan 0.000 0.469 106 P HA 0.112 nan 4.420 nan 0.000 0.270 106 P C -1.109 176.306 177.300 0.192 0.000 1.242 106 P CA 0.042 63.219 63.100 0.129 0.000 0.768 106 P CB 0.263 32.035 31.700 0.121 0.000 0.820 107 L N 2.237 123.555 121.223 0.158 0.000 2.365 107 L HA 0.653 4.992 4.340 -0.000 0.000 0.273 107 L C -0.737 176.243 176.870 0.183 0.000 1.000 107 L CA -1.107 53.878 54.840 0.242 0.000 0.819 107 L CB 1.569 43.759 42.059 0.219 0.000 1.284 107 L HN 0.199 nan 8.230 nan 0.000 0.418 108 H N 2.004 121.228 119.070 0.257 0.000 2.489 108 H HA 0.365 4.921 4.556 -0.000 0.000 0.322 108 H C -1.493 174.055 175.328 0.368 0.000 1.091 108 H CA -0.025 56.204 56.048 0.301 0.000 1.291 108 H CB 1.251 31.169 29.762 0.261 0.000 1.436 108 H HN 0.645 nan 8.280 nan 0.000 0.480 109 Y N 4.023 124.557 120.300 0.391 0.000 2.331 109 Y HA 0.493 5.043 4.550 -0.000 0.000 0.338 109 Y C -0.934 175.269 175.900 0.505 0.000 0.976 109 Y CA -0.833 57.484 58.100 0.361 0.000 1.137 109 Y CB 0.592 39.224 38.460 0.287 0.000 1.172 109 Y HN 0.519 nan 8.280 nan 0.000 0.478 110 I N 7.376 127.971 120.570 0.041 0.000 2.500 110 I HA 0.256 4.426 4.170 -0.000 0.000 0.286 110 I C -1.280 174.728 176.117 -0.181 0.000 1.063 110 I CA -0.938 60.328 61.300 -0.057 0.000 1.062 110 I CB 1.902 39.818 38.000 -0.139 0.000 1.223 110 I HN 0.281 nan 8.210 nan 0.000 0.435 111 V N 7.010 126.828 119.914 -0.161 0.000 2.370 111 V HA 0.412 4.532 4.120 -0.000 0.000 0.279 111 V C 0.178 176.290 176.094 0.030 0.000 1.029 111 V CA -0.492 61.780 62.300 -0.046 0.000 0.870 111 V CB 1.578 33.423 31.823 0.036 0.000 0.984 111 V HN 0.473 nan 8.190 nan 0.000 0.451 112 L N 5.693 126.915 121.223 -0.002 0.000 2.334 112 L HA 0.659 4.999 4.340 -0.000 0.000 0.277 112 L C 0.255 177.181 176.870 0.093 0.000 1.075 112 L CA -0.251 54.586 54.840 -0.004 0.000 0.804 112 L CB 1.040 43.043 42.059 -0.092 0.000 1.174 112 L HN 0.564 nan 8.230 nan 0.000 0.438 113 R N 1.091 121.691 120.500 0.167 0.000 2.673 113 R HA 0.689 5.029 4.340 -0.000 0.000 0.281 113 R C -1.188 175.287 176.300 0.293 0.000 0.991 113 R CA -0.316 55.989 56.100 0.343 0.000 0.896 113 R CB 2.417 32.864 30.300 0.246 0.000 1.201 113 R HN 0.828 nan 8.270 nan 0.000 0.457 114 T N -0.942 113.859 114.554 0.413 0.000 2.792 114 T HA 0.297 4.647 4.350 -0.000 0.000 0.303 114 T C -0.408 174.323 174.700 0.051 0.000 1.310 114 T CA -0.633 61.575 62.100 0.180 0.000 1.007 114 T CB 1.467 70.408 68.868 0.122 0.000 1.335 114 T HN 0.404 nan 8.240 nan 0.000 0.504 115 T N 1.807 116.366 114.554 0.008 0.000 2.934 115 T HA 0.337 4.687 4.350 -0.000 0.000 0.321 115 T C 1.844 176.407 174.700 -0.228 0.000 1.080 115 T CA 0.334 62.409 62.100 -0.041 0.000 1.132 115 T CB 0.210 69.065 68.868 -0.021 0.000 1.039 115 T HN 0.983 nan 8.240 nan 0.000 0.543 116 A N 2.360 125.030 122.820 -0.250 0.000 2.015 116 A HA 0.130 4.450 4.320 -0.000 0.000 0.219 116 A C 2.467 179.933 177.584 -0.197 0.000 1.163 116 A CA 1.452 53.239 52.037 -0.417 0.000 0.646 116 A CB -0.807 18.166 19.000 -0.046 0.000 0.806 116 A HN 0.935 nan 8.150 nan 0.000 0.448 117 A N -0.170 122.589 122.820 -0.102 0.000 1.968 117 A HA -0.068 4.251 4.320 -0.000 0.000 0.217 117 A C 1.882 179.430 177.584 -0.060 0.000 1.169 117 A CA 1.353 53.354 52.037 -0.061 0.000 0.638 117 A CB -0.329 18.651 19.000 -0.033 0.000 0.812 117 A HN 0.614 nan 8.150 nan 0.000 0.446 118 E N -0.149 120.011 120.200 -0.066 0.000 2.107 118 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 118 E C 2.273 178.841 176.600 -0.054 0.000 0.982 118 E CA 0.799 57.171 56.400 -0.047 0.000 0.809 118 E CB -0.217 29.465 29.700 -0.031 0.000 0.756 118 E HN 0.596 nan 8.360 nan 0.000 0.459 119 A N 1.280 124.052 122.820 -0.080 0.000 1.897 119 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 119 A C 2.160 179.707 177.584 -0.061 0.000 1.181 119 A CA 0.827 52.831 52.037 -0.055 0.000 0.620 119 A CB -0.485 18.490 19.000 -0.041 0.000 0.821 119 A HN 0.108 nan 8.150 nan 0.000 0.443 120 I N -0.278 120.246 120.570 -0.076 0.000 2.315 120 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 120 I C 2.541 178.637 176.117 -0.035 0.000 1.117 120 I CA 1.661 62.930 61.300 -0.050 0.000 1.404 120 I CB -0.320 37.652 38.000 -0.047 0.000 1.071 120 I HN 0.599 nan 8.210 nan 0.000 0.419 121 E N 1.451 121.629 120.200 -0.036 0.000 2.007 121 E HA -0.276 4.073 4.350 -0.000 0.000 0.194 121 E C 2.467 179.053 176.600 -0.024 0.000 0.999 121 E CA 1.032 57.416 56.400 -0.027 0.000 0.811 121 E CB -0.106 29.578 29.700 -0.027 0.000 0.762 121 E HN 0.158 nan 8.360 nan 0.000 0.450 122 R N 0.530 121.011 120.500 -0.031 0.000 2.113 122 R HA -0.154 4.186 4.340 -0.000 0.000 0.244 122 R C 2.317 178.604 176.300 -0.021 0.000 1.142 122 R CA 1.789 57.871 56.100 -0.030 0.000 0.953 122 R CB -1.214 29.059 30.300 -0.045 0.000 0.860 122 R HN 0.430 nan 8.270 nan 0.000 0.438 123 C N 0.561 119.848 119.300 -0.021 0.000 2.468 123 C HA 0.077 4.536 4.460 -0.000 0.000 0.277 123 C C 2.635 177.627 174.990 0.003 0.000 1.400 123 C CA -0.467 58.548 59.018 -0.006 0.000 1.770 123 C CB -1.020 26.715 27.740 -0.009 0.000 1.905 123 C HN 0.409 nan 8.230 nan 0.000 0.519 124 L N 1.824 123.045 121.223 -0.004 0.000 1.951 124 L HA -0.134 4.206 4.340 -0.000 0.000 0.222 124 L C 0.671 177.546 176.870 0.008 0.000 1.078 124 L CA 2.121 56.961 54.840 0.001 0.000 0.778 124 L CB -1.177 40.880 42.059 -0.005 0.000 0.893 124 L HN 0.343 nan 8.230 nan 0.000 0.436 125 D N -0.050 120.352 120.400 0.004 0.000 2.608 125 D HA 0.101 4.740 4.640 -0.000 0.000 0.224 125 D C 1.043 177.348 176.300 0.009 0.000 1.123 125 D CA 0.126 54.130 54.000 0.006 0.000 1.030 125 D CB 0.738 41.538 40.800 0.001 0.000 1.093 125 D HN 0.204 nan 8.370 nan 0.000 0.497 126 R N -0.073 120.439 120.500 0.019 0.000 2.428 126 R HA 0.219 4.559 4.340 -0.000 0.000 0.193 126 R C 1.529 177.848 176.300 0.032 0.000 0.852 126 R CA 0.831 56.946 56.100 0.025 0.000 1.055 126 R CB 0.077 30.399 30.300 0.037 0.000 1.343 126 R HN 0.373 nan 8.270 nan 0.000 0.655 127 G N -0.189 108.635 108.800 0.039 0.000 2.690 127 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.334 127 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.334 127 G C 1.119 176.049 174.900 0.050 0.000 1.250 127 G CA 0.878 46.003 45.100 0.042 0.000 0.994 127 G HN 0.904 nan 8.290 nan 0.000 0.549 128 G N -0.379 108.443 108.800 0.036 0.000 2.704 128 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.344 128 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.344 128 G C 0.855 175.784 174.900 0.047 0.000 1.200 128 G CA 2.100 47.218 45.100 0.030 0.000 0.962 128 G HN 1.984 nan 8.290 nan 0.000 0.552 129 D N -0.965 119.474 120.400 0.066 0.000 2.497 129 D HA 0.365 5.005 4.640 -0.000 0.000 0.256 129 D C 1.394 177.811 176.300 0.196 0.000 1.273 129 D CA 0.935 54.996 54.000 0.101 0.000 0.812 129 D CB 0.387 41.209 40.800 0.038 0.000 1.190 129 D HN 0.443 nan 8.370 nan 0.000 0.524 130 S N -0.077 115.733 115.700 0.183 0.000 2.477 130 S HA 0.326 4.795 4.470 -0.000 0.000 0.261 130 S C -0.035 174.721 174.600 0.260 0.000 1.197 130 S CA -0.560 57.794 58.200 0.257 0.000 1.015 130 S CB 0.302 63.615 63.200 0.189 0.000 1.077 130 S HN 0.074 nan 8.310 nan 0.000 0.505 131 L N 2.200 123.558 121.223 0.225 0.000 2.418 131 L HA 0.250 4.590 4.340 -0.000 0.000 0.274 131 L C 0.752 177.679 176.870 0.095 0.000 1.135 131 L CA 0.593 55.528 54.840 0.159 0.000 0.870 131 L CB 0.340 42.436 42.059 0.061 0.000 1.154 131 L HN 0.598 nan 8.230 nan 0.000 0.462 132 S N 1.199 116.954 115.700 0.092 0.000 3.142 132 S HA 0.025 4.495 4.470 -0.000 0.000 0.223 132 S C 0.117 174.737 174.600 0.034 0.000 0.939 132 S CA -0.300 57.936 58.200 0.060 0.000 0.826 132 S CB 0.203 63.445 63.200 0.071 0.000 0.823 132 S HN 0.715 nan 8.310 nan 0.000 0.612 133 D N 4.085 124.509 120.400 0.039 0.000 2.570 133 D HA 0.027 4.666 4.640 -0.000 0.000 0.243 133 D C -1.502 174.791 176.300 -0.011 0.000 1.171 133 D CA -1.271 52.739 54.000 0.018 0.000 0.879 133 D CB 0.992 41.809 40.800 0.028 0.000 1.143 133 D HN 0.069 nan 8.370 nan 0.000 0.511 134 P HA -0.173 nan 4.420 nan 0.000 0.225 134 P C 1.577 178.856 177.300 -0.034 0.000 1.148 134 P CA 0.301 63.387 63.100 -0.024 0.000 0.779 134 P CB 0.322 32.013 31.700 -0.016 0.000 0.780 135 L N 0.167 121.371 121.223 -0.032 0.000 2.027 135 L HA -0.089 4.250 4.340 -0.000 0.000 0.206 135 L C 2.409 179.235 176.870 -0.073 0.000 1.074 135 L CA 1.709 56.526 54.840 -0.038 0.000 0.745 135 L CB -1.319 40.726 42.059 -0.024 0.000 0.898 135 L HN -0.232 nan 8.230 nan 0.000 0.433 136 V N -0.873 118.974 119.914 -0.111 0.000 2.261 136 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 136 V C 2.537 178.484 176.094 -0.245 0.000 1.047 136 V CA 1.708 63.867 62.300 -0.234 0.000 1.015 136 V CB -0.609 31.030 31.823 -0.306 0.000 0.642 136 V HN 0.355 nan 8.190 nan 0.000 0.446 137 V N 0.516 120.329 119.914 -0.168 0.000 2.392 137 V HA -0.272 3.847 4.120 -0.000 0.000 0.249 137 V C 2.647 178.713 176.094 -0.047 0.000 1.059 137 V CA 2.082 64.312 62.300 -0.117 0.000 1.051 137 V CB -1.317 30.465 31.823 -0.068 0.000 0.658 137 V HN 0.554 nan 8.190 nan 0.000 0.455 138 A N 0.296 123.094 122.820 -0.037 0.000 1.872 138 A HA -0.231 4.089 4.320 -0.000 0.000 0.214 138 A C 2.068 179.668 177.584 0.026 0.000 1.187 138 A CA 1.844 53.891 52.037 0.018 0.000 0.614 138 A CB -0.658 18.342 19.000 0.001 0.000 0.826 138 A HN 0.572 nan 8.150 nan 0.000 0.442 139 D N 0.145 120.524 120.400 -0.035 0.000 2.084 139 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 139 D C 1.813 178.087 176.300 -0.042 0.000 0.990 139 D CA 1.535 55.507 54.000 -0.047 0.000 0.826 139 D CB -0.295 40.458 40.800 -0.078 0.000 0.971 139 D HN 0.385 nan 8.370 nan 0.000 0.453 140 L N -0.615 120.559 121.223 -0.083 0.000 2.127 140 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 140 L C 2.492 179.415 176.870 0.089 0.000 1.089 140 L CA 1.381 56.197 54.840 -0.040 0.000 0.757 140 L CB -0.753 41.204 42.059 -0.170 0.000 0.899 140 L HN 0.276 nan 8.230 nan 0.000 0.434 141 H N 0.365 119.413 119.070 -0.035 0.000 2.321 141 H HA -0.171 4.384 4.556 -0.000 0.000 0.300 141 H C 2.472 177.773 175.328 -0.045 0.000 1.087 141 H CA 1.768 57.762 56.048 -0.090 0.000 1.319 141 H CB -0.156 29.487 29.762 -0.199 0.000 1.379 141 H HN 0.347 nan 8.280 nan 0.000 0.501 142 S N -0.122 115.460 115.700 -0.196 0.000 2.359 142 S HA -0.289 4.180 4.470 -0.000 0.000 0.224 142 S C 2.125 176.648 174.600 -0.128 0.000 1.035 142 S CA 1.613 59.686 58.200 -0.212 0.000 1.018 142 S CB -0.472 62.673 63.200 -0.093 0.000 0.876 142 S HN 0.673 nan 8.310 nan 0.000 0.448 143 Q N -0.136 119.638 119.800 -0.043 0.000 2.061 143 Q HA 0.023 4.363 4.340 -0.000 0.000 0.204 143 Q C 1.590 177.586 176.000 -0.008 0.000 0.984 143 Q CA 1.563 57.358 55.803 -0.013 0.000 0.846 143 Q CB -0.393 28.359 28.738 0.023 0.000 0.902 143 Q HN 0.649 nan 8.270 nan 0.000 0.421 144 F N 0.262 120.167 119.950 -0.075 0.000 2.754 144 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 144 F C 1.601 177.359 175.800 -0.070 0.000 1.234 144 F CA 0.350 58.331 58.000 -0.032 0.000 1.460 144 F CB -0.018 39.008 39.000 0.043 0.000 1.120 144 F HN 0.052 nan 8.300 nan 0.000 0.592 145 A N -1.338 121.463 122.820 -0.032 0.000 1.975 145 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 145 A C 0.800 178.368 177.584 -0.026 0.000 1.170 145 A CA 0.768 52.770 52.037 -0.058 0.000 0.656 145 A CB -0.167 18.761 19.000 -0.120 0.000 0.821 145 A HN 0.205 nan 8.150 nan 0.000 0.449 146 D N 0.481 120.855 120.400 -0.044 0.000 2.454 146 D HA 0.302 4.942 4.640 -0.000 0.000 0.225 146 D C 0.046 176.330 176.300 -0.026 0.000 1.081 146 D CA -0.339 53.647 54.000 -0.023 0.000 0.864 146 D CB 0.622 41.407 40.800 -0.025 0.000 1.040 146 D HN 0.019 nan 8.370 nan 0.000 0.517 147 L N 3.455 124.696 121.223 0.030 0.000 2.728 147 L HA 0.261 4.600 4.340 -0.000 0.000 0.235 147 L C 1.688 178.667 176.870 0.182 0.000 1.197 147 L CA 0.396 55.283 54.840 0.078 0.000 0.992 147 L CB -0.876 41.267 42.059 0.140 0.000 1.263 147 L HN 0.722 nan 8.230 nan 0.000 0.484 148 G N 1.334 110.202 108.800 0.113 0.000 2.660 148 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.321 148 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.321 148 G C 0.790 175.755 174.900 0.108 0.000 1.246 148 G CA 0.577 45.746 45.100 0.114 0.000 1.000 148 G HN 0.482 nan 8.290 nan 0.000 0.550 149 A N -0.837 122.028 122.820 0.075 0.000 2.415 149 A HA 0.680 5.000 4.320 -0.000 0.000 0.248 149 A C 1.188 178.716 177.584 -0.093 0.000 1.299 149 A CA 0.736 52.739 52.037 -0.058 0.000 0.899 149 A CB -0.218 18.676 19.000 -0.176 0.000 0.997 149 A HN 0.609 nan 8.150 nan 0.000 0.506 150 F N -0.458 119.590 119.950 0.163 0.000 2.639 150 F HA 0.173 4.700 4.527 -0.000 0.000 0.302 150 F C 1.720 177.684 175.800 0.274 0.000 1.097 150 F CA -0.087 58.053 58.000 0.233 0.000 1.294 150 F CB 0.508 39.563 39.000 0.092 0.000 1.027 150 F HN 0.194 nan 8.300 nan 0.000 0.550 151 E N 0.070 120.478 120.200 0.347 0.000 2.118 151 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 151 E C 1.658 178.404 176.600 0.244 0.000 0.992 151 E CA 1.624 58.173 56.400 0.248 0.000 0.804 151 E CB -0.652 29.143 29.700 0.159 0.000 0.741 151 E HN 0.724 nan 8.360 nan 0.000 0.458 152 H N -1.967 117.155 119.070 0.087 0.000 2.568 152 H HA -0.017 4.539 4.556 -0.000 0.000 0.281 152 H C 0.864 176.076 175.328 -0.193 0.000 1.028 152 H CA 0.878 56.893 56.048 -0.054 0.000 1.199 152 H CB -0.295 29.393 29.762 -0.124 0.000 1.352 152 H HN 0.146 nan 8.280 nan 0.000 0.605 153 H N -0.169 118.763 119.070 -0.231 0.000 2.542 153 H HA 0.306 4.862 4.556 -0.000 0.000 0.283 153 H C -0.303 175.077 175.328 0.087 0.000 1.059 153 H CA -0.055 55.892 56.048 -0.168 0.000 1.162 153 H CB 0.721 30.422 29.762 -0.102 0.000 1.539 153 H HN 0.291 nan 8.280 nan 0.000 0.543 154 V N 1.266 121.301 119.914 0.202 0.000 2.532 154 V HA 0.352 4.472 4.120 -0.000 0.000 0.295 154 V C -1.029 175.194 176.094 0.215 0.000 1.041 154 V CA -0.933 61.481 62.300 0.190 0.000 0.926 154 V CB 1.489 33.410 31.823 0.163 0.000 0.992 154 V HN 0.187 nan 8.190 nan 0.000 0.457 155 L N 9.683 130.994 121.223 0.147 0.000 2.353 155 L HA 0.661 5.001 4.340 -0.000 0.000 0.270 155 L C -2.449 174.463 176.870 0.070 0.000 1.003 155 L CA -1.622 53.276 54.840 0.097 0.000 0.862 155 L CB 2.022 44.073 42.059 -0.013 0.000 1.221 155 L HN 0.508 nan 8.230 nan 0.000 0.430 156 P HA 0.142 nan 4.420 nan 0.000 0.276 156 P C -0.202 177.125 177.300 0.044 0.000 1.235 156 P CA -0.103 63.040 63.100 0.072 0.000 0.772 156 P CB 1.546 33.290 31.700 0.073 0.000 0.871 157 V N -0.259 119.677 119.914 0.038 0.000 2.872 157 V HA 0.211 4.331 4.120 -0.000 0.000 0.367 157 V C 1.148 177.250 176.094 0.015 0.000 1.343 157 V CA 0.014 62.322 62.300 0.014 0.000 1.219 157 V CB -0.229 31.589 31.823 -0.009 0.000 1.308 157 V HN 0.281 nan 8.190 nan 0.000 0.610 158 S N 2.017 117.733 115.700 0.027 0.000 2.348 158 S HA 0.077 4.546 4.470 -0.000 0.000 0.219 158 S C 1.822 176.429 174.600 0.011 0.000 1.033 158 S CA 1.601 59.814 58.200 0.021 0.000 0.974 158 S CB -0.311 62.906 63.200 0.029 0.000 0.868 158 S HN 0.884 nan 8.310 nan 0.000 0.459 159 G N 2.006 110.813 108.800 0.013 0.000 3.186 159 G HA2 0.135 4.095 3.960 -0.000 0.000 0.214 159 G HA3 0.135 4.095 3.960 -0.000 0.000 0.214 159 G C 0.082 174.984 174.900 0.003 0.000 1.222 159 G CA 0.079 45.184 45.100 0.008 0.000 0.921 159 G HN 0.328 nan 8.290 nan 0.000 0.504 160 K N -0.077 120.322 120.400 -0.001 0.000 2.480 160 K HA 0.423 4.743 4.320 -0.000 0.000 0.258 160 K C -1.174 175.419 176.600 -0.012 0.000 0.990 160 K CA -0.960 55.323 56.287 -0.007 0.000 0.857 160 K CB 1.975 34.469 32.500 -0.009 0.000 1.384 160 K HN 0.134 nan 8.250 nan 0.000 0.446 161 D N -1.109 119.282 120.400 -0.015 0.000 2.616 161 D HA 0.086 4.726 4.640 -0.000 0.000 0.260 161 D C 0.945 177.230 176.300 -0.026 0.000 1.158 161 D CA -0.519 53.469 54.000 -0.019 0.000 1.085 161 D CB 0.125 40.915 40.800 -0.017 0.000 1.222 161 D HN 0.388 nan 8.370 nan 0.000 0.626 162 T N -1.354 113.183 114.554 -0.029 0.000 2.699 162 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 162 T C 0.818 175.496 174.700 -0.036 0.000 1.036 162 T CA 2.296 64.375 62.100 -0.035 0.000 1.147 162 T CB -0.694 68.153 68.868 -0.035 0.000 0.862 162 T HN 0.587 nan 8.240 nan 0.000 0.446 163 D N -0.581 119.801 120.400 -0.029 0.000 2.369 163 D HA 0.061 4.700 4.640 -0.000 0.000 0.211 163 D C 1.660 177.946 176.300 -0.024 0.000 1.077 163 D CA 0.091 54.075 54.000 -0.027 0.000 0.842 163 D CB -0.524 40.262 40.800 -0.023 0.000 0.947 163 D HN 0.483 nan 8.370 nan 0.000 0.509 164 Q N 0.186 119.973 119.800 -0.023 0.000 2.392 164 Q HA 0.241 4.581 4.340 -0.000 0.000 0.203 164 Q C 0.599 176.585 176.000 -0.022 0.000 0.917 164 Q CA 0.094 55.886 55.803 -0.019 0.000 0.939 164 Q CB 0.255 28.985 28.738 -0.014 0.000 1.063 164 Q HN 0.206 nan 8.270 nan 0.000 0.516 165 A N 0.499 123.301 122.820 -0.030 0.000 2.929 165 A HA 0.346 4.665 4.320 -0.000 0.000 0.279 165 A C 0.078 177.634 177.584 -0.047 0.000 1.418 165 A CA 0.030 52.044 52.037 -0.038 0.000 1.035 165 A CB -0.020 18.955 19.000 -0.042 0.000 1.047 165 A HN 0.367 nan 8.150 nan 0.000 0.609 166 L N -2.651 118.547 121.223 -0.042 0.000 2.604 166 L HA 0.166 4.506 4.340 -0.000 0.000 0.150 166 L C 2.041 178.887 176.870 -0.040 0.000 1.292 166 L CA 0.368 55.180 54.840 -0.046 0.000 0.977 166 L CB -0.811 41.225 42.059 -0.038 0.000 1.943 166 L HN 0.340 nan 8.230 nan 0.000 0.508 167 Q N -0.017 119.766 119.800 -0.028 0.000 2.012 167 Q HA -0.272 4.068 4.340 -0.000 0.000 0.211 167 Q C 1.838 177.826 176.000 -0.020 0.000 1.009 167 Q CA 2.551 58.341 55.803 -0.021 0.000 0.866 167 Q CB -0.241 28.488 28.738 -0.015 0.000 0.945 167 Q HN 0.364 nan 8.270 nan 0.000 0.414 168 S N -1.545 114.146 115.700 -0.016 0.000 2.631 168 S HA 0.269 4.739 4.470 -0.000 0.000 0.217 168 S C 0.280 174.871 174.600 -0.015 0.000 0.958 168 S CA 0.193 58.388 58.200 -0.008 0.000 0.920 168 S CB 0.235 63.434 63.200 -0.001 0.000 0.776 168 S HN 0.414 nan 8.310 nan 0.000 0.517 169 A N 1.620 124.419 122.820 -0.036 0.000 3.474 169 A HA 0.569 4.888 4.320 -0.000 0.000 0.187 169 A C 1.393 178.907 177.584 -0.116 0.000 1.195 169 A CA 0.080 52.079 52.037 -0.063 0.000 1.405 169 A CB -0.901 18.065 19.000 -0.058 0.000 1.629 169 A HN 0.538 nan 8.150 nan 0.000 0.632 170 I N -0.730 119.757 120.570 -0.138 0.000 2.145 170 I HA -0.317 3.852 4.170 -0.000 0.000 0.244 170 I C 1.656 177.691 176.117 -0.136 0.000 1.075 170 I CA 2.840 64.033 61.300 -0.178 0.000 1.332 170 I CB -0.899 37.024 38.000 -0.127 0.000 1.033 170 I HN 0.486 nan 8.210 nan 0.000 0.410 171 N N 1.456 120.108 118.700 -0.081 0.000 2.104 171 N HA -0.121 4.618 4.740 -0.000 0.000 0.190 171 N C 1.970 177.446 175.510 -0.057 0.000 1.024 171 N CA 1.985 55.002 53.050 -0.055 0.000 0.853 171 N CB -0.420 38.046 38.487 -0.035 0.000 1.008 171 N HN 0.586 nan 8.380 nan 0.000 0.424 172 A N 0.507 123.296 122.820 -0.053 0.000 1.969 172 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 172 A C 2.055 179.628 177.584 -0.017 0.000 1.169 172 A CA 0.859 52.881 52.037 -0.024 0.000 0.635 172 A CB -0.578 18.417 19.000 -0.008 0.000 0.810 172 A HN 0.207 nan 8.150 nan 0.000 0.445 173 L N -0.810 120.348 121.223 -0.107 0.000 2.027 173 L HA -0.210 4.130 4.340 -0.000 0.000 0.206 173 L C 2.801 179.667 176.870 -0.007 0.000 1.074 173 L CA 1.168 55.908 54.840 -0.166 0.000 0.745 173 L CB -0.951 40.605 42.059 -0.838 0.000 0.898 173 L HN 0.389 nan 8.230 nan 0.000 0.433 174 Q N 0.198 119.951 119.800 -0.080 0.000 2.112 174 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 174 Q C 2.362 178.351 176.000 -0.018 0.000 0.987 174 Q CA 2.051 57.791 55.803 -0.105 0.000 0.858 174 Q CB -0.485 28.147 28.738 -0.177 0.000 0.905 174 Q HN 0.482 nan 8.270 nan 0.000 0.420 175 S N 0.070 115.769 115.700 -0.001 0.000 2.425 175 S HA 0.026 4.495 4.470 -0.000 0.000 0.225 175 S C 1.798 176.446 174.600 0.081 0.000 1.024 175 S CA 0.670 58.886 58.200 0.027 0.000 0.951 175 S CB -0.177 63.026 63.200 0.004 0.000 0.796 175 S HN 0.588 nan 8.310 nan 0.000 0.498 176 G N 1.343 110.208 108.800 0.108 0.000 2.843 176 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.205 176 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.205 176 G C 0.343 175.347 174.900 0.173 0.000 1.160 176 G CA -0.160 45.026 45.100 0.143 0.000 0.819 176 G HN 0.496 nan 8.290 nan 0.000 0.516 177 R N -2.692 117.921 120.500 0.189 0.000 3.641 177 R HA -0.250 4.090 4.340 -0.000 0.000 0.286 177 R C 1.090 177.504 176.300 0.191 0.000 1.153 177 R CA 0.475 56.682 56.100 0.178 0.000 0.775 177 R CB -2.453 27.906 30.300 0.098 0.000 1.215 177 R HN 0.349 nan 8.270 nan 0.000 0.474 178 F N 0.727 120.728 119.950 0.086 0.000 2.111 178 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 178 F C 1.454 177.222 175.800 -0.053 0.000 1.088 178 F CA 2.059 60.063 58.000 0.007 0.000 1.243 178 F CB 0.209 39.240 39.000 0.051 0.000 0.996 178 F HN 0.136 nan 8.300 nan 0.000 0.483 179 R N -0.104 120.490 120.500 0.157 0.000 2.754 179 R HA 0.033 4.373 4.340 -0.000 0.000 0.244 179 R C 0.467 176.603 176.300 -0.275 0.000 1.173 179 R CA -0.024 56.098 56.100 0.036 0.000 0.840 179 R CB -0.648 29.796 30.300 0.240 0.000 1.440 179 R HN 0.237 nan 8.270 nan 0.000 0.338 180 I N 0.487 120.890 120.570 -0.279 0.000 2.226 180 I HA -0.117 4.053 4.170 -0.000 0.000 0.245 180 I C 0.055 176.041 176.117 -0.218 0.000 1.100 180 I CA 2.030 63.092 61.300 -0.397 0.000 1.374 180 I CB 0.246 38.195 38.000 -0.084 0.000 1.057 180 I HN 0.655 nan 8.210 nan 0.000 0.413 181 D N 0.000 120.365 120.400 -0.059 0.000 6.856 181 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 181 D CA 0.000 54.017 54.000 0.029 0.000 0.868 181 D CB 0.000 40.827 40.800 0.045 0.000 0.688 181 D HN 0.000 nan 8.370 nan 0.000 0.683