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 1i4y_1_D DATA FIRST_RESID 1 DATA SEQUENCE GFPIPDPYVW DPSFRTFYSI IDDEHKTLFN GIFHLAIDDN ADNLGELRRC DATA SEQUENCE TGKHFLNEQV LMQASQYQFY DEHKKEHETF IHALDNWKGD VKWAKSWLVN DATA SEQUENCE HIKTIDFKYK GKI 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 4.075 3.960 0.191 0.000 0.244 1 G C 0.000 174.675 174.900 -0.375 0.000 0.946 1 G CA 0.000 44.879 45.100 -0.369 0.000 0.502 2 F N 2.148 122.061 119.950 -0.062 0.000 2.406 2 F HA 0.508 5.151 4.527 0.193 0.000 0.327 2 F C -1.134 174.656 175.800 -0.016 0.000 1.153 2 F CA -2.196 55.763 58.000 -0.068 0.000 1.218 2 F CB 0.277 39.207 39.000 -0.116 0.000 1.215 2 F HN -0.122 nan 8.300 nan 0.000 0.570 3 P HA 0.166 nan 4.420 nan 0.000 0.275 3 P C -0.685 176.734 177.300 0.199 0.000 1.227 3 P CA -0.132 63.049 63.100 0.136 0.000 0.781 3 P CB 0.885 32.637 31.700 0.088 0.000 0.906 4 I N 5.178 125.866 120.570 0.197 0.000 2.322 4 I HA 0.151 4.436 4.170 0.191 0.000 0.292 4 I C -1.566 174.716 176.117 0.274 0.000 1.060 4 I CA -2.608 58.860 61.300 0.279 0.000 1.309 4 I CB -0.129 38.016 38.000 0.242 0.000 1.415 4 I HN 0.224 nan 8.210 nan 0.000 0.492 5 P HA 0.058 nan 4.420 nan 0.000 0.265 5 P C -0.572 176.878 177.300 0.250 0.000 1.187 5 P CA 0.118 63.332 63.100 0.191 0.000 0.766 5 P CB 1.124 32.859 31.700 0.060 0.000 0.820 6 D N 2.689 123.192 120.400 0.170 0.000 2.602 6 D HA 0.260 5.015 4.640 0.191 0.000 0.245 6 D C -2.058 174.321 176.300 0.132 0.000 1.325 6 D CA -1.648 52.456 54.000 0.174 0.000 0.952 6 D CB 0.771 41.652 40.800 0.134 0.000 1.317 6 D HN 0.217 nan 8.370 nan 0.000 0.577 7 P HA 0.096 nan 4.420 nan 0.000 0.270 7 P C -0.575 176.914 177.300 0.315 0.000 1.223 7 P CA -0.300 62.968 63.100 0.280 0.000 0.785 7 P CB 0.490 32.388 31.700 0.329 0.000 0.923 8 Y N 1.738 122.237 120.300 0.332 0.000 2.573 8 Y HA 0.299 4.964 4.550 0.191 0.000 0.346 8 Y C -0.381 175.724 175.900 0.341 0.000 1.198 8 Y CA 0.151 58.452 58.100 0.334 0.000 1.627 8 Y CB -0.138 38.508 38.460 0.309 0.000 1.457 8 Y HN 0.038 nan 8.280 nan 0.000 0.483 9 V N 4.726 124.600 119.914 -0.067 0.000 3.049 9 V HA 0.160 4.395 4.120 0.191 0.000 0.309 9 V C -0.808 174.844 176.094 -0.736 0.000 1.148 9 V CA -1.650 60.515 62.300 -0.225 0.000 0.990 9 V CB 1.604 33.323 31.823 -0.172 0.000 1.039 9 V HN 0.675 nan 8.190 nan 0.000 0.430 10 W N 3.340 123.989 121.300 -1.086 0.000 2.170 10 W HA 0.460 5.232 4.660 0.186 0.000 0.342 10 W C -0.143 175.988 176.519 -0.646 0.000 1.294 10 W CA 0.711 57.211 57.345 -1.408 0.000 1.246 10 W CB 0.596 29.590 29.460 -0.777 0.000 1.156 10 W HN 0.865 nan 8.180 nan 0.000 0.572 11 D N 3.465 123.195 120.400 -1.116 0.000 2.596 11 D HA 0.371 5.126 4.640 0.191 0.000 0.234 11 D C -2.396 173.066 176.300 -1.396 0.000 1.181 11 D CA -1.924 51.588 54.000 -0.814 0.000 0.856 11 D CB 1.857 42.429 40.800 -0.380 0.000 1.498 11 D HN 0.057 nan 8.370 nan 0.000 0.446 12 P HA -0.173 nan 4.420 nan 0.000 0.221 12 P C 1.064 178.080 177.300 -0.472 0.000 1.141 12 P CA 1.433 64.165 63.100 -0.615 0.000 0.794 12 P CB 0.033 31.608 31.700 -0.208 0.000 0.764 13 S N -2.438 112.976 115.700 -0.478 0.000 2.515 13 S HA -0.035 4.550 4.470 0.191 0.000 0.231 13 S C 1.300 175.619 174.600 -0.467 0.000 0.987 13 S CA 0.497 58.442 58.200 -0.425 0.000 0.936 13 S CB -1.294 61.625 63.200 -0.467 0.000 0.766 13 S HN 0.078 nan 8.310 nan 0.000 0.528 14 F N 1.697 121.384 119.950 -0.438 0.000 2.727 14 F HA 0.408 5.047 4.527 0.187 0.000 0.302 14 F C 1.250 177.157 175.800 0.179 0.000 1.097 14 F CA -0.733 57.153 58.000 -0.190 0.000 1.330 14 F CB 0.046 38.764 39.000 -0.471 0.000 1.084 14 F HN 0.061 nan 8.300 nan 0.000 0.578 15 R N 1.169 121.722 120.500 0.088 0.000 2.484 15 R HA -0.008 4.447 4.340 0.191 0.000 0.293 15 R C 1.198 177.338 176.300 -0.267 0.000 1.023 15 R CA 0.912 57.004 56.100 -0.014 0.000 1.037 15 R CB 0.551 30.613 30.300 -0.396 0.000 0.951 15 R HN 0.262 nan 8.270 nan 0.000 0.418 16 T N 1.392 115.928 114.554 -0.031 0.000 3.022 16 T HA 0.118 4.582 4.350 0.191 0.000 0.250 16 T C 0.563 175.253 174.700 -0.017 0.000 1.060 16 T CA 0.047 62.184 62.100 0.060 0.000 1.013 16 T CB 0.021 69.207 68.868 0.531 0.000 0.982 16 T HN 0.719 nan 8.240 nan 0.000 0.508 17 F N -0.887 119.034 119.950 -0.048 0.000 2.628 17 F HA -0.124 4.513 4.527 0.183 0.000 0.319 17 F C -0.663 174.921 175.800 -0.359 0.000 0.645 17 F CA -0.301 57.570 58.000 -0.216 0.000 1.499 17 F CB -2.560 36.257 39.000 -0.306 0.000 1.900 17 F HN 0.296 nan 8.300 nan 0.000 0.308 18 Y N 0.506 120.908 120.300 0.170 0.000 2.478 18 Y HA 0.430 5.118 4.550 0.230 0.000 0.329 18 Y C 1.393 177.320 175.900 0.044 0.000 0.967 18 Y CA -0.672 57.492 58.100 0.108 0.000 1.255 18 Y CB 1.191 39.715 38.460 0.105 0.000 1.103 18 Y HN 0.090 nan 8.280 nan 0.000 0.497 19 S N 1.736 117.508 115.700 0.120 0.000 2.372 19 S HA -0.282 4.303 4.470 0.191 0.000 0.227 19 S C 1.920 176.519 174.600 -0.001 0.000 1.044 19 S CA 1.793 60.014 58.200 0.034 0.000 1.050 19 S CB -0.365 62.847 63.200 0.021 0.000 0.901 19 S HN 0.655 nan 8.310 nan 0.000 0.447 20 I N 1.914 122.504 120.570 0.034 0.000 2.315 20 I HA 0.013 4.297 4.170 0.191 0.000 0.248 20 I C 2.168 178.276 176.117 -0.014 0.000 1.117 20 I CA 0.704 62.006 61.300 0.003 0.000 1.404 20 I CB -0.440 37.573 38.000 0.021 0.000 1.071 20 I HN 0.380 nan 8.210 nan 0.000 0.419 21 I N 0.197 120.780 120.570 0.021 0.000 2.252 21 I HA -0.267 4.018 4.170 0.191 0.000 0.245 21 I C 1.904 177.833 176.117 -0.313 0.000 1.102 21 I CA 1.350 62.622 61.300 -0.047 0.000 1.385 21 I CB -0.623 37.434 38.000 0.095 0.000 1.064 21 I HN 0.200 nan 8.210 nan 0.000 0.414 22 D N 0.884 121.192 120.400 -0.154 0.000 2.144 22 D HA -0.171 4.583 4.640 0.191 0.000 0.199 22 D C 1.695 177.738 176.300 -0.428 0.000 0.984 22 D CA 1.210 55.099 54.000 -0.186 0.000 0.834 22 D CB -0.330 40.421 40.800 -0.082 0.000 0.955 22 D HN 0.295 nan 8.370 nan 0.000 0.465 23 D N 0.551 120.759 120.400 -0.321 0.000 2.183 23 D HA -0.077 4.678 4.640 0.191 0.000 0.203 23 D C 1.879 178.043 176.300 -0.228 0.000 0.969 23 D CA 0.591 54.405 54.000 -0.310 0.000 0.842 23 D CB -0.095 40.589 40.800 -0.194 0.000 0.957 23 D HN 0.382 nan 8.370 nan 0.000 0.484 24 E N -0.362 119.729 120.200 -0.183 0.000 2.107 24 E HA -0.100 4.365 4.350 0.191 0.000 0.191 24 E C 1.848 178.354 176.600 -0.157 0.000 0.982 24 E CA 0.484 56.805 56.400 -0.132 0.000 0.809 24 E CB -0.118 29.575 29.700 -0.012 0.000 0.756 24 E HN 0.542 nan 8.360 nan 0.000 0.459 25 H N 0.754 119.660 119.070 -0.273 0.000 2.421 25 H HA -0.066 4.604 4.556 0.189 0.000 0.298 25 H C 1.910 177.278 175.328 0.066 0.000 1.087 25 H CA 0.830 56.816 56.048 -0.103 0.000 1.330 25 H CB 0.177 30.033 29.762 0.157 0.000 1.388 25 H HN 0.000 nan 8.280 nan 0.000 0.526 26 K N 0.055 120.401 120.400 -0.089 0.000 2.147 26 K HA -0.116 4.319 4.320 0.191 0.000 0.205 26 K C 2.398 179.024 176.600 0.044 0.000 1.049 26 K CA 1.697 57.916 56.287 -0.114 0.000 0.936 26 K CB -0.047 32.217 32.500 -0.394 0.000 0.722 26 K HN 0.410 nan 8.250 nan 0.000 0.446 27 T N -0.564 113.994 114.554 0.007 0.000 2.951 27 T HA 0.000 4.465 4.350 0.191 0.000 0.268 27 T C 1.884 176.625 174.700 0.068 0.000 1.073 27 T CA 0.553 62.670 62.100 0.028 0.000 1.134 27 T CB -0.202 68.663 68.868 -0.004 0.000 0.884 27 T HN 0.053 nan 8.240 nan 0.000 0.479 28 L N -1.051 120.210 121.223 0.064 0.000 2.072 28 L HA 0.130 4.585 4.340 0.191 0.000 0.205 28 L C 2.552 179.455 176.870 0.055 0.000 1.079 28 L CA 1.224 56.071 54.840 0.012 0.000 0.752 28 L CB -0.694 41.312 42.059 -0.089 0.000 0.906 28 L HN 0.167 nan 8.230 nan 0.000 0.436 29 F N 0.824 120.789 119.950 0.025 0.000 2.102 29 F HA -0.245 4.395 4.527 0.189 0.000 0.298 29 F C 2.489 178.387 175.800 0.165 0.000 1.105 29 F CA 1.969 59.992 58.000 0.038 0.000 1.239 29 F CB -0.579 38.312 39.000 -0.181 0.000 0.991 29 F HN 0.174 nan 8.300 nan 0.000 0.474 30 N N 0.156 119.017 118.700 0.269 0.000 2.166 30 N HA -0.122 4.733 4.740 0.191 0.000 0.186 30 N C 2.049 177.731 175.510 0.287 0.000 1.019 30 N CA 1.460 54.621 53.050 0.184 0.000 0.856 30 N CB -0.592 37.963 38.487 0.113 0.000 0.993 30 N HN 0.222 nan 8.380 nan 0.000 0.426 31 G N 0.451 109.385 108.800 0.224 0.000 2.404 31 G HA2 -0.150 3.925 3.960 0.191 0.000 0.215 31 G HA3 -0.150 3.925 3.960 0.191 0.000 0.215 31 G C 1.531 176.538 174.900 0.178 0.000 1.174 31 G CA 0.761 45.970 45.100 0.182 0.000 0.780 31 G HN 0.361 nan 8.290 nan 0.000 0.537 32 I N -0.236 120.445 120.570 0.184 0.000 2.394 32 I HA -0.066 4.219 4.170 0.191 0.000 0.251 32 I C 2.409 178.613 176.117 0.145 0.000 1.136 32 I CA 0.665 62.035 61.300 0.117 0.000 1.425 32 I CB -0.277 37.764 38.000 0.068 0.000 1.079 32 I HN 0.188 nan 8.210 nan 0.000 0.425 33 F N 1.824 121.850 119.950 0.127 0.000 2.091 33 F HA -0.310 4.332 4.527 0.191 0.000 0.299 33 F C 2.467 178.214 175.800 -0.088 0.000 1.103 33 F CA 2.114 60.133 58.000 0.032 0.000 1.228 33 F CB -0.415 38.563 39.000 -0.037 0.000 0.984 33 F HN 0.089 nan 8.300 nan 0.000 0.477 34 H N -0.825 118.414 119.070 0.280 0.000 2.436 34 H HA -0.069 4.602 4.556 0.191 0.000 0.294 34 H C 2.274 177.615 175.328 0.022 0.000 1.048 34 H CA 1.053 57.177 56.048 0.127 0.000 1.353 34 H CB -0.126 29.748 29.762 0.188 0.000 1.414 34 H HN 0.233 nan 8.280 nan 0.000 0.536 35 L N 0.631 121.931 121.223 0.127 0.000 2.083 35 L HA -0.105 4.350 4.340 0.191 0.000 0.209 35 L C 2.233 179.140 176.870 0.061 0.000 1.083 35 L CA 1.550 56.434 54.840 0.073 0.000 0.752 35 L CB -0.903 41.162 42.059 0.010 0.000 0.899 35 L HN 0.329 nan 8.230 nan 0.000 0.433 36 A N -0.284 122.530 122.820 -0.010 0.000 1.969 36 A HA -0.153 4.282 4.320 0.191 0.000 0.218 36 A C 2.154 179.692 177.584 -0.077 0.000 1.169 36 A CA 1.347 53.351 52.037 -0.055 0.000 0.635 36 A CB -0.306 18.609 19.000 -0.142 0.000 0.810 36 A HN 0.475 nan 8.150 nan 0.000 0.445 37 I N -1.396 119.109 120.570 -0.108 0.000 2.296 37 I HA -0.004 4.281 4.170 0.191 0.000 0.242 37 I C 0.167 176.284 176.117 0.000 0.000 1.087 37 I CA 0.761 62.014 61.300 -0.078 0.000 1.393 37 I CB 0.134 38.075 38.000 -0.098 0.000 1.093 37 I HN 0.091 nan 8.210 nan 0.000 0.421 38 D N 0.896 121.320 120.400 0.040 0.000 2.375 38 D HA 0.081 4.836 4.640 0.191 0.000 0.259 38 D C -0.918 175.425 176.300 0.070 0.000 1.235 38 D CA -0.236 53.795 54.000 0.052 0.000 0.924 38 D CB 0.580 41.412 40.800 0.053 0.000 1.143 38 D HN -0.048 nan 8.370 nan 0.000 0.529 39 D N 2.728 123.179 120.400 0.085 0.000 2.671 39 D HA 0.027 4.782 4.640 0.191 0.000 0.228 39 D C 0.163 176.542 176.300 0.132 0.000 1.102 39 D CA 0.024 54.111 54.000 0.144 0.000 1.044 39 D CB -0.244 40.670 40.800 0.189 0.000 1.113 39 D HN 0.538 nan 8.370 nan 0.000 0.480 40 N N -1.319 117.433 118.700 0.086 0.000 2.813 40 N HA 0.495 5.349 4.740 0.191 0.000 0.320 40 N C 0.980 176.517 175.510 0.045 0.000 1.315 40 N CA -0.866 52.222 53.050 0.063 0.000 0.871 40 N CB 0.895 39.404 38.487 0.037 0.000 1.241 40 N HN -0.110 nan 8.380 nan 0.000 0.602 41 A N 0.014 122.851 122.820 0.028 0.000 1.898 41 A HA -0.150 4.284 4.320 0.191 0.000 0.216 41 A C 1.619 179.193 177.584 -0.018 0.000 1.181 41 A CA 1.422 53.463 52.037 0.007 0.000 0.620 41 A CB -0.759 18.244 19.000 0.006 0.000 0.819 41 A HN 0.782 nan 8.150 nan 0.000 0.442 42 D N 0.306 120.698 120.400 -0.014 0.000 2.117 42 D HA -0.142 4.613 4.640 0.191 0.000 0.197 42 D C 1.361 177.641 176.300 -0.033 0.000 0.987 42 D CA 1.331 55.316 54.000 -0.024 0.000 0.829 42 D CB -0.342 40.445 40.800 -0.021 0.000 0.961 42 D HN 0.358 nan 8.370 nan 0.000 0.460 43 N N 0.735 119.421 118.700 -0.023 0.000 2.270 43 N HA -0.094 4.761 4.740 0.191 0.000 0.181 43 N C 1.920 177.388 175.510 -0.069 0.000 1.016 43 N CA 0.185 53.224 53.050 -0.018 0.000 0.870 43 N CB -0.332 38.174 38.487 0.032 0.000 0.979 43 N HN 0.160 nan 8.380 nan 0.000 0.431 44 L N 0.954 122.108 121.223 -0.115 0.000 2.056 44 L HA 0.081 4.536 4.340 0.191 0.000 0.207 44 L C 2.016 178.773 176.870 -0.187 0.000 1.078 44 L CA 1.593 56.288 54.840 -0.241 0.000 0.749 44 L CB -1.074 40.824 42.059 -0.269 0.000 0.901 44 L HN 0.122 nan 8.230 nan 0.000 0.433 45 G N -1.219 107.513 108.800 -0.114 0.000 2.418 45 G HA2 -0.319 3.756 3.960 0.191 0.000 0.217 45 G HA3 -0.319 3.756 3.960 0.191 0.000 0.217 45 G C 1.475 176.328 174.900 -0.078 0.000 1.158 45 G CA 0.854 45.901 45.100 -0.089 0.000 0.771 45 G HN 0.451 nan 8.290 nan 0.000 0.545 46 E N 0.076 120.239 120.200 -0.062 0.000 2.051 46 E HA -0.114 4.351 4.350 0.191 0.000 0.192 46 E C 2.324 178.895 176.600 -0.048 0.000 0.991 46 E CA 0.879 57.254 56.400 -0.042 0.000 0.799 46 E CB -0.455 29.233 29.700 -0.021 0.000 0.748 46 E HN 0.275 nan 8.360 nan 0.000 0.449 47 L N 0.630 121.813 121.223 -0.067 0.000 2.017 47 L HA -0.105 4.350 4.340 0.191 0.000 0.208 47 L C 2.368 179.167 176.870 -0.118 0.000 1.073 47 L CA 1.958 56.750 54.840 -0.079 0.000 0.745 47 L CB -0.716 41.270 42.059 -0.122 0.000 0.894 47 L HN 0.049 nan 8.230 nan 0.000 0.432 48 R N 0.081 120.486 120.500 -0.157 0.000 2.083 48 R HA -0.204 4.251 4.340 0.191 0.000 0.237 48 R C 2.561 178.791 176.300 -0.117 0.000 1.137 48 R CA 2.137 58.139 56.100 -0.164 0.000 0.951 48 R CB -0.638 29.566 30.300 -0.161 0.000 0.851 48 R HN 0.516 nan 8.270 nan 0.000 0.434 49 R N -0.693 119.757 120.500 -0.083 0.000 2.070 49 R HA -0.117 4.338 4.340 0.191 0.000 0.233 49 R C 2.056 178.324 176.300 -0.052 0.000 1.137 49 R CA 1.986 58.053 56.100 -0.056 0.000 0.945 49 R CB -0.697 29.579 30.300 -0.039 0.000 0.845 49 R HN 0.369 nan 8.270 nan 0.000 0.430 50 C N 0.128 119.397 119.300 -0.051 0.000 2.435 50 C HA -0.008 4.567 4.460 0.191 0.000 0.279 50 C C 2.581 177.532 174.990 -0.066 0.000 1.321 50 C CA 1.114 60.112 59.018 -0.033 0.000 1.752 50 C CB -0.773 26.956 27.740 -0.019 0.000 1.959 50 C HN 0.610 nan 8.230 nan 0.000 0.500 51 T N 0.468 114.929 114.554 -0.155 0.000 2.812 51 T HA 0.002 4.467 4.350 0.191 0.000 0.264 51 T C 2.087 176.530 174.700 -0.428 0.000 1.042 51 T CA 1.630 63.497 62.100 -0.388 0.000 1.140 51 T CB -0.548 68.100 68.868 -0.366 0.000 0.870 51 T HN 0.642 nan 8.240 nan 0.000 0.445 52 G N 1.896 110.580 108.800 -0.194 0.000 2.418 52 G HA2 -0.234 3.840 3.960 0.191 0.000 0.217 52 G HA3 -0.234 3.840 3.960 0.191 0.000 0.217 52 G C 1.620 176.519 174.900 -0.001 0.000 1.158 52 G CA 0.746 45.806 45.100 -0.066 0.000 0.771 52 G HN 0.315 nan 8.290 nan 0.000 0.545 53 K N 0.395 120.792 120.400 -0.004 0.000 2.025 53 K HA -0.161 4.273 4.320 0.191 0.000 0.207 53 K C 2.212 178.860 176.600 0.079 0.000 1.049 53 K CA 1.807 58.117 56.287 0.038 0.000 0.933 53 K CB -0.523 31.995 32.500 0.030 0.000 0.714 53 K HN 0.436 nan 8.250 nan 0.000 0.438 54 H N 0.096 119.170 119.070 0.007 0.000 2.321 54 H HA -0.110 4.564 4.556 0.196 0.000 0.300 54 H C 1.842 177.318 175.328 0.247 0.000 1.087 54 H CA 2.113 58.217 56.048 0.093 0.000 1.319 54 H CB -0.353 29.462 29.762 0.089 0.000 1.379 54 H HN 0.088 nan 8.280 nan 0.000 0.501 55 F N -0.035 119.758 119.950 -0.261 0.000 2.126 55 F HA -0.130 4.515 4.527 0.197 0.000 0.299 55 F C 2.507 178.268 175.800 -0.064 0.000 1.096 55 F CA 1.028 58.816 58.000 -0.354 0.000 1.255 55 F CB -1.275 37.530 39.000 -0.325 0.000 0.997 55 F HN 0.286 nan 8.300 nan 0.000 0.479 56 L N 0.561 121.893 121.223 0.181 0.000 2.005 56 L HA -0.192 4.263 4.340 0.191 0.000 0.207 56 L C 1.944 178.864 176.870 0.084 0.000 1.072 56 L CA 1.911 56.834 54.840 0.140 0.000 0.744 56 L CB -1.074 41.048 42.059 0.105 0.000 0.895 56 L HN 0.092 nan 8.230 nan 0.000 0.433 57 N N -0.884 117.843 118.700 0.045 0.000 2.069 57 N HA -0.258 4.597 4.740 0.191 0.000 0.191 57 N C 1.772 177.266 175.510 -0.027 0.000 1.031 57 N CA 1.372 54.431 53.050 0.016 0.000 0.852 57 N CB -0.179 38.330 38.487 0.036 0.000 1.018 57 N HN 0.484 nan 8.380 nan 0.000 0.423 58 E N 1.230 121.385 120.200 -0.076 0.000 2.110 58 E HA -0.230 4.235 4.350 0.191 0.000 0.193 58 E C 1.885 178.434 176.600 -0.085 0.000 0.988 58 E CA 1.086 57.413 56.400 -0.121 0.000 0.804 58 E CB 0.136 29.758 29.700 -0.130 0.000 0.745 58 E HN 0.397 nan 8.360 nan 0.000 0.458 59 Q N -0.246 119.590 119.800 0.060 0.000 2.124 59 Q HA -0.141 4.313 4.340 0.191 0.000 0.202 59 Q C 2.290 178.376 176.000 0.142 0.000 0.977 59 Q CA 1.438 57.367 55.803 0.211 0.000 0.850 59 Q CB 0.127 29.047 28.738 0.303 0.000 0.901 59 Q HN 0.200 nan 8.270 nan 0.000 0.429 60 V N 0.809 120.749 119.914 0.043 0.000 2.295 60 V HA -0.252 3.983 4.120 0.191 0.000 0.246 60 V C 2.136 178.184 176.094 -0.075 0.000 1.049 60 V CA 1.480 63.769 62.300 -0.018 0.000 1.024 60 V CB -0.475 31.340 31.823 -0.013 0.000 0.648 60 V HN 0.327 nan 8.190 nan 0.000 0.447 61 L N -0.691 120.464 121.223 -0.114 0.000 2.079 61 L HA -0.177 4.277 4.340 0.191 0.000 0.210 61 L C 2.270 179.007 176.870 -0.222 0.000 1.081 61 L CA 2.012 56.739 54.840 -0.189 0.000 0.752 61 L CB -0.492 41.397 42.059 -0.282 0.000 0.896 61 L HN 0.241 nan 8.230 nan 0.000 0.433 62 M N -1.524 117.950 119.600 -0.209 0.000 2.117 62 M HA -0.241 4.354 4.480 0.191 0.000 0.262 62 M C 2.213 178.482 176.300 -0.052 0.000 1.065 62 M CA 1.716 56.940 55.300 -0.127 0.000 1.114 62 M CB -0.317 32.320 32.600 0.061 0.000 1.361 62 M HN 0.349 nan 8.290 nan 0.000 0.408 63 Q N -0.210 119.504 119.800 -0.145 0.000 2.224 63 Q HA -0.057 4.398 4.340 0.191 0.000 0.203 63 Q C 2.138 178.056 176.000 -0.137 0.000 0.970 63 Q CA 1.194 56.853 55.803 -0.239 0.000 0.865 63 Q CB -0.214 28.334 28.738 -0.318 0.000 0.922 63 Q HN 0.561 nan 8.270 nan 0.000 0.445 64 A N 0.415 123.171 122.820 -0.107 0.000 2.024 64 A HA -0.116 4.319 4.320 0.191 0.000 0.220 64 A C 1.802 179.352 177.584 -0.058 0.000 1.164 64 A CA 1.455 53.445 52.037 -0.079 0.000 0.643 64 A CB 0.042 18.996 19.000 -0.078 0.000 0.806 64 A HN 0.181 nan 8.150 nan 0.000 0.451 65 S N -0.851 114.819 115.700 -0.049 0.000 2.749 65 S HA 0.235 4.820 4.470 0.191 0.000 0.246 65 S C -0.173 174.429 174.600 0.002 0.000 1.023 65 S CA -0.293 57.898 58.200 -0.014 0.000 1.012 65 S CB 0.179 63.382 63.200 0.006 0.000 0.942 65 S HN 0.591 nan 8.310 nan 0.000 0.531 66 Q N 0.824 120.604 119.800 -0.033 0.000 2.423 66 Q HA -0.250 4.204 4.340 0.191 0.000 0.332 66 Q C -0.450 175.559 176.000 0.016 0.000 1.355 66 Q CA 0.326 56.099 55.803 -0.049 0.000 0.947 66 Q CB -1.692 27.011 28.738 -0.059 0.000 1.189 66 Q HN 0.794 nan 8.270 nan 0.000 0.418 67 Y N 0.708 120.972 120.300 -0.059 0.000 2.881 67 Y HA -0.250 4.268 4.550 -0.054 0.000 0.335 67 Y C 1.637 177.523 175.900 -0.023 0.000 1.263 67 Y CA 1.165 59.266 58.100 0.002 0.000 1.572 67 Y CB 0.492 39.007 38.460 0.091 0.000 1.237 67 Y HN 0.407 nan 8.280 nan 0.000 0.568 68 Q N 4.471 123.943 119.800 -0.547 0.000 2.135 68 Q HA -0.205 4.250 4.340 0.191 0.000 0.204 68 Q C 0.327 175.766 176.000 -0.935 0.000 0.981 68 Q CA 1.698 57.032 55.803 -0.781 0.000 0.856 68 Q CB -0.133 28.006 28.738 -0.998 0.000 0.902 68 Q HN 0.833 nan 8.270 nan 0.000 0.425 69 F N -0.734 118.638 119.950 -0.964 0.000 2.730 69 F HA 0.136 4.788 4.527 0.208 0.000 0.295 69 F C 0.982 176.681 175.800 -0.169 0.000 1.143 69 F CA -0.687 57.010 58.000 -0.505 0.000 1.367 69 F CB -0.001 38.789 39.000 -0.350 0.000 0.970 69 F HN 0.122 nan 8.300 nan 0.000 0.514 70 Y N 1.385 121.639 120.300 -0.076 0.000 2.128 70 Y HA -0.294 4.359 4.550 0.171 0.000 0.284 70 Y C 1.972 177.954 175.900 0.137 0.000 1.154 70 Y CA 1.877 60.076 58.100 0.164 0.000 1.149 70 Y CB -0.084 38.432 38.460 0.094 0.000 0.976 70 Y HN 0.045 nan 8.280 nan 0.000 0.505 71 D N 0.057 120.541 120.400 0.140 0.000 2.092 71 D HA -0.205 4.549 4.640 0.191 0.000 0.193 71 D C 2.025 178.329 176.300 0.008 0.000 0.994 71 D CA 1.762 55.792 54.000 0.051 0.000 0.828 71 D CB -0.452 40.416 40.800 0.112 0.000 0.963 71 D HN 0.407 nan 8.370 nan 0.000 0.450 72 E N 0.112 120.356 120.200 0.074 0.000 2.153 72 E HA -0.184 4.280 4.350 0.191 0.000 0.194 72 E C 1.925 178.558 176.600 0.055 0.000 0.988 72 E CA 1.232 57.672 56.400 0.065 0.000 0.811 72 E CB -0.308 29.436 29.700 0.072 0.000 0.746 72 E HN 0.529 nan 8.360 nan 0.000 0.466 73 H N -0.387 118.655 119.070 -0.045 0.000 2.326 73 H HA 0.010 4.691 4.556 0.209 0.000 0.301 73 H C 2.028 177.131 175.328 -0.374 0.000 1.081 73 H CA 1.714 57.688 56.048 -0.122 0.000 1.334 73 H CB 0.153 29.894 29.762 -0.035 0.000 1.385 73 H HN 0.054 nan 8.280 nan 0.000 0.504 74 K N 0.383 120.604 120.400 -0.297 0.000 2.097 74 K HA -0.150 4.285 4.320 0.191 0.000 0.206 74 K C 1.783 178.334 176.600 -0.081 0.000 1.049 74 K CA 1.284 57.367 56.287 -0.340 0.000 0.933 74 K CB 0.200 32.419 32.500 -0.468 0.000 0.717 74 K HN 0.120 nan 8.250 nan 0.000 0.442 75 K N 0.957 121.342 120.400 -0.026 0.000 2.147 75 K HA -0.113 4.322 4.320 0.191 0.000 0.205 75 K C 1.921 178.592 176.600 0.118 0.000 1.049 75 K CA 1.120 57.437 56.287 0.049 0.000 0.936 75 K CB -0.128 32.403 32.500 0.051 0.000 0.722 75 K HN 0.277 nan 8.250 nan 0.000 0.446 76 E N 0.349 120.631 120.200 0.137 0.000 2.047 76 E HA -0.136 4.329 4.350 0.191 0.000 0.191 76 E C 2.167 178.967 176.600 0.334 0.000 0.987 76 E CA 1.004 57.583 56.400 0.299 0.000 0.799 76 E CB -0.417 29.470 29.700 0.311 0.000 0.752 76 E HN 0.568 nan 8.360 nan 0.000 0.449 77 H N 0.642 119.688 119.070 -0.039 0.000 2.353 77 H HA -0.105 4.569 4.556 0.196 0.000 0.298 77 H C 2.114 177.471 175.328 0.050 0.000 1.103 77 H CA 1.122 56.946 56.048 -0.375 0.000 1.293 77 H CB 0.207 29.644 29.762 -0.543 0.000 1.372 77 H HN 0.255 nan 8.280 nan 0.000 0.501 78 E N -0.306 120.022 120.200 0.215 0.000 2.077 78 E HA -0.173 4.292 4.350 0.191 0.000 0.193 78 E C 2.606 179.317 176.600 0.186 0.000 0.989 78 E CA 1.296 57.809 56.400 0.187 0.000 0.800 78 E CB -0.155 29.617 29.700 0.121 0.000 0.746 78 E HN 0.619 nan 8.360 nan 0.000 0.452 79 T N 0.411 115.078 114.554 0.188 0.000 2.788 79 T HA -0.186 4.278 4.350 0.191 0.000 0.268 79 T C 1.622 176.417 174.700 0.159 0.000 1.044 79 T CA 1.150 63.368 62.100 0.197 0.000 1.139 79 T CB -0.409 nan 68.868 nan 0.000 0.867 79 T HN 0.033 nan 8.240 nan 0.000 0.454 80 F N 1.106 120.948 119.950 -0.180 0.000 2.187 80 F HA 0.112 4.754 4.527 0.192 0.000 0.295 80 F C 2.051 177.812 175.800 -0.064 0.000 1.091 80 F CA 0.172 57.938 58.000 -0.390 0.000 1.308 80 F CB -0.006 38.322 39.000 -1.119 0.000 1.030 80 F HN 0.079 nan 8.300 nan 0.000 0.487 81 I N 0.028 120.644 120.570 0.077 0.000 2.226 81 I HA -0.299 3.986 4.170 0.191 0.000 0.245 81 I C 2.399 178.496 176.117 -0.033 0.000 1.100 81 I CA 1.763 63.065 61.300 0.003 0.000 1.374 81 I CB -1.614 36.479 38.000 0.155 0.000 1.057 81 I HN 0.257 nan 8.210 nan 0.000 0.413 82 H N 1.443 120.488 119.070 -0.042 0.000 2.353 82 H HA -0.075 4.595 4.556 0.191 0.000 0.300 82 H C 2.190 177.467 175.328 -0.084 0.000 1.090 82 H CA 2.000 58.023 56.048 -0.042 0.000 1.327 82 H CB 0.114 29.870 29.762 -0.010 0.000 1.383 82 H HN 0.255 nan 8.280 nan 0.000 0.508 83 A N 0.691 123.432 122.820 -0.131 0.000 1.902 83 A HA -0.100 4.335 4.320 0.191 0.000 0.217 83 A C 2.506 180.022 177.584 -0.115 0.000 1.181 83 A CA 1.541 53.465 52.037 -0.190 0.000 0.623 83 A CB -0.857 18.051 19.000 -0.154 0.000 0.818 83 A HN 0.486 nan 8.150 nan 0.000 0.443 84 L N -0.568 120.477 121.223 -0.297 0.000 2.201 84 L HA -0.146 4.309 4.340 0.191 0.000 0.212 84 L C 1.397 178.173 176.870 -0.157 0.000 1.105 84 L CA 1.192 55.840 54.840 -0.319 0.000 0.775 84 L CB -0.586 41.151 42.059 -0.537 0.000 0.913 84 L HN 0.292 nan 8.230 nan 0.000 0.440 85 D N -0.340 119.963 120.400 -0.162 0.000 2.347 85 D HA -0.033 4.722 4.640 0.191 0.000 0.213 85 D C 0.791 177.017 176.300 -0.123 0.000 0.985 85 D CA 0.672 54.598 54.000 -0.123 0.000 0.879 85 D CB 0.105 40.842 40.800 -0.106 0.000 0.919 85 D HN 0.279 nan 8.370 nan 0.000 0.526 86 N N 0.094 118.698 118.700 -0.161 0.000 2.517 86 N HA -0.026 4.828 4.740 0.191 0.000 0.285 86 N C -0.535 174.927 175.510 -0.079 0.000 1.528 86 N CA -0.332 52.619 53.050 -0.166 0.000 0.892 86 N CB 0.557 38.843 38.487 -0.334 0.000 1.356 86 N HN 0.245 nan 8.380 nan 0.000 0.495 87 W N 1.980 123.153 121.300 -0.211 0.000 2.443 87 W HA -0.060 4.716 4.660 0.192 0.000 0.335 87 W C 0.730 177.165 176.519 -0.140 0.000 1.382 87 W CA 0.603 57.842 57.345 -0.177 0.000 1.305 87 W CB 0.527 29.901 29.460 -0.143 0.000 1.283 87 W HN 0.181 nan 8.180 nan 0.000 0.567 88 K N 3.874 123.775 120.400 -0.832 0.000 2.374 88 K HA 0.298 4.733 4.320 0.191 0.000 0.202 88 K C 1.068 177.154 176.600 -0.856 0.000 1.040 88 K CA 0.559 56.443 56.287 -0.672 0.000 1.085 88 K CB 0.147 32.360 32.500 -0.479 0.000 0.873 88 K HN 1.105 nan 8.250 nan 0.000 0.539 89 G N 0.998 108.815 108.800 -1.639 0.000 2.131 89 G HA2 -0.192 3.883 3.960 0.191 0.000 0.223 89 G HA3 -0.192 3.883 3.960 0.191 0.000 0.223 89 G C -0.120 174.417 174.900 -0.605 0.000 0.990 89 G CA 0.080 44.612 45.100 -0.947 0.000 0.671 89 G HN 0.489 nan 8.290 nan 0.000 0.521 90 D N 0.842 120.742 120.400 -0.833 0.000 2.619 90 D HA 0.567 5.322 4.640 0.191 0.000 0.224 90 D C 1.984 178.401 176.300 0.194 0.000 1.133 90 D CA 0.732 54.592 54.000 -0.234 0.000 1.017 90 D CB 0.212 40.885 40.800 -0.211 0.000 1.077 90 D HN 0.713 nan 8.370 nan 0.000 0.503 91 V N 3.589 123.659 119.914 0.260 0.000 2.392 91 V HA -0.290 3.945 4.120 0.191 0.000 0.249 91 V C 2.307 178.529 176.094 0.214 0.000 1.059 91 V CA 1.771 64.276 62.300 0.341 0.000 1.051 91 V CB -0.479 31.462 31.823 0.196 0.000 0.658 91 V HN 0.294 nan 8.190 nan 0.000 0.455 92 K N -1.408 119.088 120.400 0.161 0.000 2.097 92 K HA -0.206 4.229 4.320 0.191 0.000 0.206 92 K C 1.923 178.643 176.600 0.201 0.000 1.049 92 K CA 1.822 58.182 56.287 0.123 0.000 0.933 92 K CB -0.283 32.279 32.500 0.103 0.000 0.717 92 K HN 0.886 nan 8.250 nan 0.000 0.442 93 W N 1.443 122.815 121.300 0.121 0.000 2.381 93 W HA -0.148 4.627 4.660 0.192 0.000 0.301 93 W C 2.110 178.808 176.519 0.299 0.000 1.205 93 W CA 1.784 59.241 57.345 0.187 0.000 1.285 93 W CB -0.237 29.322 29.460 0.165 0.000 1.133 93 W HN 0.032 nan 8.180 nan 0.000 0.521 94 A N 0.763 123.866 122.820 0.471 0.000 1.933 94 A HA -0.214 4.221 4.320 0.191 0.000 0.218 94 A C 1.961 179.566 177.584 0.035 0.000 1.175 94 A CA 2.020 54.251 52.037 0.323 0.000 0.628 94 A CB -0.733 18.598 19.000 0.551 0.000 0.814 94 A HN 0.388 nan 8.150 nan 0.000 0.444 95 K N 0.178 120.535 120.400 -0.072 0.000 2.026 95 K HA -0.138 4.297 4.320 0.191 0.000 0.208 95 K C 2.434 179.026 176.600 -0.015 0.000 1.048 95 K CA 1.756 57.878 56.287 -0.275 0.000 0.929 95 K CB -0.222 32.008 32.500 -0.450 0.000 0.713 95 K HN 0.681 nan 8.250 nan 0.000 0.439 96 S N -0.250 115.432 115.700 -0.030 0.000 2.436 96 S HA -0.149 4.435 4.470 0.191 0.000 0.228 96 S C 1.761 176.273 174.600 -0.146 0.000 1.014 96 S CA 0.246 58.431 58.200 -0.025 0.000 0.950 96 S CB -0.516 62.679 63.200 -0.008 0.000 0.784 96 S HN 0.496 nan 8.310 nan 0.000 0.504 97 W N 1.775 122.802 121.300 -0.455 0.000 2.355 97 W HA 0.025 4.797 4.660 0.186 0.000 0.309 97 W C 1.986 178.270 176.519 -0.391 0.000 1.206 97 W CA 1.084 58.099 57.345 -0.550 0.000 1.284 97 W CB -0.475 28.383 29.460 -1.005 0.000 1.145 97 W HN 0.338 nan 8.180 nan 0.000 0.502 98 L N 0.156 121.270 121.223 -0.181 0.000 2.017 98 L HA -0.161 4.294 4.340 0.191 0.000 0.208 98 L C 2.263 178.918 176.870 -0.358 0.000 1.073 98 L CA 2.023 56.677 54.840 -0.310 0.000 0.745 98 L CB -1.364 40.467 42.059 -0.380 0.000 0.894 98 L HN -0.050 nan 8.230 nan 0.000 0.432 99 V N 0.332 120.125 119.914 -0.201 0.000 2.255 99 V HA -0.348 3.887 4.120 0.191 0.000 0.247 99 V C 2.274 178.301 176.094 -0.111 0.000 1.051 99 V CA 2.367 64.674 62.300 0.011 0.000 1.018 99 V CB -0.952 30.998 31.823 0.211 0.000 0.641 99 V HN 0.539 nan 8.190 nan 0.000 0.445 100 N N -0.987 117.613 118.700 -0.166 0.000 2.244 100 N HA -0.172 4.683 4.740 0.191 0.000 0.183 100 N C 1.788 177.052 175.510 -0.409 0.000 1.016 100 N CA 1.258 54.199 53.050 -0.182 0.000 0.866 100 N CB -0.310 38.092 38.487 -0.141 0.000 0.980 100 N HN 0.680 nan 8.380 nan 0.000 0.430 101 H N 0.491 119.127 119.070 -0.724 0.000 2.326 101 H HA 0.084 4.753 4.556 0.188 0.000 0.301 101 H C 1.784 176.822 175.328 -0.484 0.000 1.081 101 H CA 1.503 57.079 56.048 -0.787 0.000 1.334 101 H CB -0.147 28.855 29.762 -1.268 0.000 1.385 101 H HN 0.141 nan 8.280 nan 0.000 0.504 102 I N 0.264 120.553 120.570 -0.469 0.000 2.142 102 I HA -0.244 4.041 4.170 0.191 0.000 0.240 102 I C 2.272 177.921 176.117 -0.779 0.000 1.078 102 I CA 1.548 62.597 61.300 -0.417 0.000 1.343 102 I CB -0.265 37.602 38.000 -0.221 0.000 1.046 102 I HN 0.238 nan 8.210 nan 0.000 0.405 103 K N -0.033 119.771 120.400 -0.993 0.000 2.288 103 K HA -0.109 4.325 4.320 0.191 0.000 0.201 103 K C 1.968 178.020 176.600 -0.913 0.000 1.048 103 K CA 1.855 57.183 56.287 -1.597 0.000 0.956 103 K CB -0.061 31.289 32.500 -1.917 0.000 0.746 103 K HN 0.540 nan 8.250 nan 0.000 0.461 104 T N -2.012 112.229 114.554 -0.523 0.000 3.038 104 T HA 0.128 4.593 4.350 0.191 0.000 0.244 104 T C 1.768 176.304 174.700 -0.274 0.000 1.016 104 T CA -0.151 61.807 62.100 -0.238 0.000 1.098 104 T CB 0.152 68.962 68.868 -0.096 0.000 0.954 104 T HN -0.145 nan 8.240 nan 0.000 0.469 105 I N 2.123 122.414 120.570 -0.465 0.000 2.499 105 I HA 0.136 4.421 4.170 0.191 0.000 0.243 105 I C 2.002 177.835 176.117 -0.473 0.000 1.085 105 I CA 0.920 61.895 61.300 -0.542 0.000 1.422 105 I CB -1.077 36.406 38.000 -0.861 0.000 1.165 105 I HN 0.137 nan 8.210 nan 0.000 0.440 106 D N 1.137 121.217 120.400 -0.534 0.000 2.117 106 D HA -0.160 4.594 4.640 0.191 0.000 0.197 106 D C 2.252 178.183 176.300 -0.614 0.000 0.987 106 D CA 1.230 54.989 54.000 -0.402 0.000 0.829 106 D CB -0.408 40.406 40.800 0.023 0.000 0.961 106 D HN 0.275 nan 8.370 nan 0.000 0.460 107 F N 0.881 120.572 119.950 -0.431 0.000 2.307 107 F HA -0.134 4.504 4.527 0.184 0.000 0.301 107 F C 2.171 177.863 175.800 -0.181 0.000 1.076 107 F CA 0.423 58.265 58.000 -0.264 0.000 1.383 107 F CB 0.084 38.983 39.000 -0.168 0.000 1.055 107 F HN -0.061 nan 8.300 nan 0.000 0.526 108 K N -0.081 120.326 120.400 0.013 0.000 2.211 108 K HA -0.185 4.250 4.320 0.191 0.000 0.203 108 K C 1.293 178.062 176.600 0.281 0.000 1.050 108 K CA 1.271 57.654 56.287 0.160 0.000 0.945 108 K CB -0.254 32.368 32.500 0.203 0.000 0.732 108 K HN 0.461 nan 8.250 nan 0.000 0.451 109 Y N 0.269 120.673 120.300 0.173 0.000 2.490 109 Y HA 0.266 4.945 4.550 0.216 0.000 0.281 109 Y C -0.209 175.765 175.900 0.125 0.000 1.174 109 Y CA -0.860 57.179 58.100 -0.100 0.000 1.295 109 Y CB -0.653 37.420 38.460 -0.646 0.000 1.062 109 Y HN -0.319 nan 8.280 nan 0.000 0.522 110 K N 1.699 122.300 120.400 0.336 0.000 2.453 110 K HA 0.186 4.620 4.320 0.191 0.000 0.280 110 K C 1.174 177.945 176.600 0.285 0.000 1.045 110 K CA 0.994 57.496 56.287 0.359 0.000 1.059 110 K CB -0.003 32.568 32.500 0.119 0.000 0.901 110 K HN 0.709 nan 8.250 nan 0.000 0.475 111 G N 3.103 112.099 108.800 0.325 0.000 2.184 111 G HA2 -0.322 3.753 3.960 0.191 0.000 0.264 111 G HA3 -0.322 3.753 3.960 0.191 0.000 0.264 111 G C 0.606 175.642 174.900 0.226 0.000 0.975 111 G CA 0.469 45.695 45.100 0.210 0.000 0.642 111 G HN 0.665 nan 8.290 nan 0.000 0.536 112 K N -0.373 120.192 120.400 0.275 0.000 2.374 112 K HA 0.459 4.894 4.320 0.191 0.000 0.202 112 K C 1.134 177.808 176.600 0.124 0.000 1.040 112 K CA 0.738 57.156 56.287 0.218 0.000 1.085 112 K CB 0.619 33.313 32.500 0.324 0.000 0.873 112 K HN 0.748 nan 8.250 nan 0.000 0.539 113 I N 0.000 120.606 120.570 0.060 0.000 2.984 113 I HA 0.000 4.285 4.170 0.191 0.000 0.288 113 I CA 0.000 61.218 61.300 -0.138 0.000 1.566 113 I CB 0.000 37.729 38.000 -0.452 0.000 1.214 113 I HN 0.000 nan 8.210 nan 0.000 0.494