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 2br3_1_D DATA FIRST_RESID 2 DATA SEQUENCE NDYSRQNFLD LNLFRGLGED PAYHPPVLTD RPRDWPLDRW AEAPRDLGYS DATA SEQUENCE DFSPYQWRGL RMLKDPDTQA VYHDMLWELR PRTIVELGVY NGGSLAWFRD DATA SEQUENCE LTKIMGIDCQ VIGIDRDLSR CQIPASDMEN ITLHQGDCSD LTTFEHLREM DATA SEQUENCE AHPLIFIDDA HANTFNIMKW AVDHLLEEGD YFIIEDMIPY WYRYAPQLFS DATA SEQUENCE EYLGAFRDVL SMDMLYANAS SQLDRGVLRR 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.450 175.510 -0.100 0.000 1.280 2 N CA 0.000 53.075 53.050 0.041 0.000 0.885 2 N CB 0.000 38.470 38.487 -0.029 0.000 1.341 3 D N -0.095 120.330 120.400 0.042 0.000 2.384 3 D HA -0.119 4.521 4.640 0.000 0.000 0.222 3 D C 1.492 177.818 176.300 0.044 0.000 0.976 3 D CA 0.709 54.718 54.000 0.016 0.000 0.915 3 D CB 0.076 40.912 40.800 0.061 0.000 0.896 3 D HN 0.628 nan 8.370 nan 0.000 0.523 4 Y N 0.960 121.320 120.300 0.099 0.000 2.242 4 Y HA -0.163 4.387 4.550 0.000 0.000 0.291 4 Y C 2.443 178.417 175.900 0.123 0.000 1.137 4 Y CA 1.233 59.453 58.100 0.199 0.000 1.181 4 Y CB -0.803 37.783 38.460 0.209 0.000 0.989 4 Y HN -0.089 nan 8.280 nan 0.000 0.527 5 S N 2.268 117.619 115.700 -0.582 0.000 2.357 5 S HA -0.234 4.236 4.470 0.000 0.000 0.221 5 S C 1.994 176.473 174.600 -0.202 0.000 1.031 5 S CA 0.992 58.974 58.200 -0.363 0.000 0.982 5 S CB -0.770 62.139 63.200 -0.484 0.000 0.853 5 S HN 0.716 nan 8.310 nan 0.000 0.458 6 R N 1.346 121.725 120.500 -0.202 0.000 2.189 6 R HA 0.124 4.464 4.340 0.000 0.000 0.223 6 R C 1.262 177.460 176.300 -0.169 0.000 1.092 6 R CA 0.537 56.547 56.100 -0.150 0.000 0.989 6 R CB -0.334 29.894 30.300 -0.120 0.000 0.876 6 R HN 0.538 nan 8.270 nan 0.000 0.457 7 Q N 1.061 120.725 119.800 -0.227 0.000 2.260 7 Q HA 0.184 4.524 4.340 0.000 0.000 0.242 7 Q C -1.125 174.519 176.000 -0.593 0.000 0.932 7 Q CA -0.601 54.987 55.803 -0.359 0.000 0.891 7 Q CB 1.137 29.652 28.738 -0.372 0.000 1.222 7 Q HN 0.155 nan 8.270 nan 0.000 0.453 8 N N 2.409 120.779 118.700 -0.550 0.000 2.238 8 N HA 0.330 5.070 4.740 0.000 0.000 0.302 8 N C -1.764 173.480 175.510 -0.444 0.000 1.072 8 N CA -0.371 52.352 53.050 -0.545 0.000 0.792 8 N CB 0.936 39.299 38.487 -0.207 0.000 1.425 8 N HN 0.430 nan 8.380 nan 0.000 0.478 9 F N 2.965 122.936 119.950 0.036 0.000 2.385 9 F HA 0.414 4.941 4.527 0.000 0.000 0.360 9 F C 0.841 176.661 175.800 0.033 0.000 1.122 9 F CA -0.803 57.222 58.000 0.042 0.000 1.090 9 F CB 0.901 39.926 39.000 0.042 0.000 1.150 9 F HN 0.169 nan 8.300 nan 0.000 0.472 10 L N 2.517 123.857 121.223 0.196 0.000 2.492 10 L HA 0.002 4.342 4.340 0.000 0.000 0.280 10 L C 0.561 177.488 176.870 0.095 0.000 1.240 10 L CA 0.257 55.169 54.840 0.120 0.000 0.831 10 L CB 0.166 42.317 42.059 0.153 0.000 1.100 10 L HN 0.562 nan 8.230 nan 0.000 0.505 11 D N 1.216 121.605 120.400 -0.019 0.000 2.295 11 D HA 0.103 4.743 4.640 0.000 0.000 0.248 11 D C 0.608 176.809 176.300 -0.165 0.000 1.154 11 D CA -0.455 53.511 54.000 -0.058 0.000 0.857 11 D CB 1.542 42.300 40.800 -0.070 0.000 1.117 11 D HN 0.285 nan 8.370 nan 0.000 0.468 12 L N 4.326 125.514 121.223 -0.058 0.000 2.275 12 L HA -0.096 4.244 4.340 0.000 0.000 0.215 12 L C 2.003 178.821 176.870 -0.087 0.000 1.119 12 L CA 0.729 55.568 54.840 -0.002 0.000 0.790 12 L CB -0.925 41.195 42.059 0.103 0.000 0.919 12 L HN 0.428 nan 8.230 nan 0.000 0.443 13 N N -0.393 118.244 118.700 -0.106 0.000 2.272 13 N HA -0.178 4.562 4.740 0.000 0.000 0.185 13 N C 1.735 177.155 175.510 -0.151 0.000 1.014 13 N CA 0.873 53.864 53.050 -0.097 0.000 0.870 13 N CB -0.173 38.270 38.487 -0.073 0.000 0.975 13 N HN 0.181 nan 8.380 nan 0.000 0.433 14 L N 0.143 121.186 121.223 -0.300 0.000 2.131 14 L HA -0.054 4.286 4.340 0.000 0.000 0.210 14 L C 1.119 177.809 176.870 -0.300 0.000 1.092 14 L CA 1.192 55.813 54.840 -0.364 0.000 0.759 14 L CB -1.165 40.565 42.059 -0.548 0.000 0.903 14 L HN 0.131 nan 8.230 nan 0.000 0.435 15 F N -0.690 119.263 119.950 0.005 0.000 2.696 15 F HA 0.153 4.680 4.527 -0.000 0.000 0.296 15 F C 1.115 176.880 175.800 -0.057 0.000 1.181 15 F CA -0.775 57.220 58.000 -0.007 0.000 1.411 15 F CB -0.262 38.738 39.000 -0.001 0.000 1.014 15 F HN -0.099 nan 8.300 nan 0.000 0.512 16 R N 1.287 121.814 120.500 0.045 0.000 2.248 16 R HA 0.391 4.731 4.340 0.000 0.000 0.328 16 R C 0.895 177.192 176.300 -0.005 0.000 1.067 16 R CA 0.010 56.107 56.100 -0.005 0.000 0.924 16 R CB 0.214 30.498 30.300 -0.027 0.000 1.013 16 R HN 0.399 nan 8.270 nan 0.000 0.454 17 G N 3.431 112.226 108.800 -0.008 0.000 2.168 17 G HA2 -0.279 3.681 3.960 0.000 0.000 0.257 17 G HA3 -0.279 3.681 3.960 0.000 0.000 0.257 17 G C 0.118 175.121 174.900 0.173 0.000 0.997 17 G CA 0.774 45.930 45.100 0.093 0.000 0.708 17 G HN 0.574 nan 8.290 nan 0.000 0.520 18 L N -1.789 119.520 121.223 0.143 0.000 2.658 18 L HA 0.608 4.948 4.340 0.000 0.000 0.222 18 L C 1.405 178.423 176.870 0.248 0.000 1.033 18 L CA 0.543 55.367 54.840 -0.027 0.000 0.949 18 L CB 0.288 42.095 42.059 -0.420 0.000 1.698 18 L HN 1.272 nan 8.230 nan 0.000 0.498 19 G N 0.512 109.458 108.800 0.243 0.000 2.462 19 G HA2 -0.139 3.821 3.960 0.000 0.000 0.685 19 G HA3 -0.139 3.821 3.960 0.000 0.000 0.685 19 G C -0.295 174.639 174.900 0.056 0.000 1.295 19 G CA -0.232 44.998 45.100 0.217 0.000 0.941 19 G HN 0.119 nan 8.290 nan 0.000 0.554 20 E N -0.371 119.702 120.200 -0.211 0.000 2.371 20 E HA 0.154 4.504 4.350 0.000 0.000 0.194 20 E C 0.064 176.514 176.600 -0.251 0.000 1.012 20 E CA 0.901 56.883 56.400 -0.696 0.000 0.860 20 E CB 0.365 29.715 29.700 -0.582 0.000 0.811 20 E HN 0.389 nan 8.360 nan 0.000 0.502 21 D N -0.946 119.478 120.400 0.039 0.000 2.738 21 D HA 0.061 4.701 4.640 0.000 0.000 0.218 21 D C -2.196 174.202 176.300 0.163 0.000 1.345 21 D CA -1.749 52.312 54.000 0.102 0.000 0.943 21 D CB 1.629 42.477 40.800 0.080 0.000 1.514 21 D HN -0.254 nan 8.370 nan 0.000 0.585 22 P HA 0.105 nan 4.420 nan 0.000 0.229 22 P C 0.322 177.578 177.300 -0.072 0.000 1.160 22 P CA 0.121 63.143 63.100 -0.130 0.000 0.777 22 P CB 0.261 31.717 31.700 -0.408 0.000 0.814 23 A N 0.117 122.918 122.820 -0.032 0.000 2.371 23 A HA 0.177 4.497 4.320 0.000 0.000 0.257 23 A C -0.513 176.995 177.584 -0.126 0.000 1.089 23 A CA -0.365 51.617 52.037 -0.092 0.000 0.794 23 A CB -0.434 18.486 19.000 -0.133 0.000 1.029 23 A HN 0.127 nan 8.150 nan 0.000 0.488 24 Y N 2.760 122.899 120.300 -0.269 0.000 2.377 24 Y HA 0.333 4.883 4.550 0.000 0.000 0.330 24 Y C 0.044 175.640 175.900 -0.507 0.000 1.108 24 Y CA 0.472 58.423 58.100 -0.248 0.000 1.308 24 Y CB 0.362 38.732 38.460 -0.150 0.000 1.216 24 Y HN 0.650 nan 8.280 nan 0.000 0.518 25 H N 6.237 124.818 119.070 -0.816 0.000 2.667 25 H HA 0.298 4.854 4.556 0.000 0.000 0.353 25 H C -2.455 172.222 175.328 -1.085 0.000 1.072 25 H CA -1.959 53.639 56.048 -0.751 0.000 1.214 25 H CB 1.719 31.270 29.762 -0.352 0.000 1.600 25 H HN 0.548 nan 8.280 nan 0.000 0.527 26 P HA 0.103 nan 4.420 nan 0.000 0.269 26 P C -2.313 174.787 177.300 -0.334 0.000 1.209 26 P CA -1.044 61.810 63.100 -0.411 0.000 0.776 26 P CB -0.097 31.530 31.700 -0.121 0.000 0.876 27 P HA 0.084 nan 4.420 nan 0.000 0.268 27 P C -0.867 176.248 177.300 -0.308 0.000 1.208 27 P CA 0.287 63.075 63.100 -0.521 0.000 0.777 27 P CB 0.363 31.329 31.700 -1.223 0.000 0.875 28 V N 3.242 123.032 119.914 -0.206 0.000 2.638 28 V HA 0.212 4.332 4.120 0.000 0.000 0.306 28 V C -0.362 175.726 176.094 -0.010 0.000 1.052 28 V CA -0.848 61.398 62.300 -0.090 0.000 0.885 28 V CB 1.977 33.754 31.823 -0.077 0.000 0.999 28 V HN 0.324 nan 8.190 nan 0.000 0.424 29 L N 4.302 125.543 121.223 0.029 0.000 2.349 29 L HA 0.452 4.792 4.340 0.000 0.000 0.275 29 L C 1.340 178.239 176.870 0.049 0.000 1.115 29 L CA 0.697 55.581 54.840 0.074 0.000 0.820 29 L CB 1.118 43.233 42.059 0.092 0.000 1.135 29 L HN 0.968 nan 8.230 nan 0.000 0.445 30 T N -2.683 111.904 114.554 0.054 0.000 3.026 30 T HA 0.044 4.394 4.350 0.000 0.000 0.245 30 T C 0.652 175.377 174.700 0.042 0.000 1.004 30 T CA 0.264 62.386 62.100 0.037 0.000 1.069 30 T CB 0.235 69.120 68.868 0.028 0.000 1.005 30 T HN 0.513 nan 8.240 nan 0.000 0.472 31 D N 1.768 122.201 120.400 0.055 0.000 2.501 31 D HA 0.177 4.817 4.640 0.000 0.000 0.226 31 D C 0.329 176.687 176.300 0.095 0.000 1.198 31 D CA -0.639 53.396 54.000 0.059 0.000 0.830 31 D CB -0.025 40.802 40.800 0.045 0.000 1.014 31 D HN 0.715 nan 8.370 nan 0.000 0.496 32 R N -1.312 119.256 120.500 0.113 0.000 2.725 32 R HA 0.464 4.804 4.340 0.000 0.000 0.254 32 R C -3.242 173.155 176.300 0.162 0.000 1.076 32 R CA -1.281 54.934 56.100 0.192 0.000 0.940 32 R CB 0.012 30.466 30.300 0.256 0.000 1.260 32 R HN -0.241 nan 8.270 nan 0.000 0.466 33 P HA 0.085 nan 4.420 nan 0.000 0.271 33 P C -0.196 177.197 177.300 0.156 0.000 1.218 33 P CA -0.540 62.616 63.100 0.093 0.000 0.780 33 P CB 1.137 32.833 31.700 -0.007 0.000 0.901 34 R N 0.999 121.563 120.500 0.106 0.000 2.120 34 R HA -0.052 4.288 4.340 0.000 0.000 0.234 34 R C -0.162 176.223 176.300 0.143 0.000 1.123 34 R CA 1.198 57.367 56.100 0.115 0.000 0.975 34 R CB 0.078 30.422 30.300 0.074 0.000 0.866 34 R HN 0.562 nan 8.270 nan 0.000 0.446 35 D N 0.065 120.536 120.400 0.118 0.000 2.485 35 D HA 0.021 4.661 4.640 0.000 0.000 0.229 35 D C -0.748 175.633 176.300 0.135 0.000 1.101 35 D CA -0.178 53.894 54.000 0.120 0.000 0.906 35 D CB 0.252 41.089 40.800 0.062 0.000 1.019 35 D HN 0.161 nan 8.370 nan 0.000 0.516 36 W N 4.758 126.083 121.300 0.042 0.000 2.266 36 W HA 0.171 4.831 4.660 0.000 0.000 0.317 36 W C -2.148 174.413 176.519 0.069 0.000 1.310 36 W CA -1.512 55.859 57.345 0.044 0.000 1.207 36 W CB 0.962 30.441 29.460 0.032 0.000 1.199 36 W HN 0.175 nan 8.180 nan 0.000 0.544 37 P HA 0.024 nan 4.420 nan 0.000 0.276 37 P C 0.462 177.900 177.300 0.230 0.000 1.230 37 P CA -0.254 62.856 63.100 0.016 0.000 0.776 37 P CB 1.398 33.022 31.700 -0.126 0.000 0.888 38 L N 2.422 123.779 121.223 0.223 0.000 2.291 38 L HA -0.099 4.241 4.340 0.000 0.000 0.214 38 L C 2.049 179.073 176.870 0.256 0.000 1.120 38 L CA 1.599 56.612 54.840 0.288 0.000 0.799 38 L CB -1.229 40.920 42.059 0.150 0.000 0.925 38 L HN 0.508 nan 8.230 nan 0.000 0.446 39 D N -0.180 120.319 120.400 0.164 0.000 2.264 39 D HA -0.210 4.430 4.640 0.000 0.000 0.208 39 D C 0.940 177.348 176.300 0.179 0.000 0.966 39 D CA 0.708 54.787 54.000 0.132 0.000 0.864 39 D CB -0.049 40.793 40.800 0.071 0.000 0.933 39 D HN 0.344 nan 8.370 nan 0.000 0.499 40 R N -0.400 120.238 120.500 0.230 0.000 2.935 40 R HA 0.163 4.503 4.340 0.000 0.000 0.354 40 R C 0.534 177.150 176.300 0.525 0.000 1.206 40 R CA -0.557 55.726 56.100 0.306 0.000 1.082 40 R CB -0.493 29.940 30.300 0.221 0.000 1.431 40 R HN 0.197 nan 8.270 nan 0.000 0.582 41 W N 1.195 122.646 121.300 0.252 0.000 2.388 41 W HA -0.114 4.546 4.660 0.000 0.000 0.294 41 W C 1.652 178.201 176.519 0.050 0.000 1.212 41 W CA 1.696 59.156 57.345 0.192 0.000 1.271 41 W CB 0.160 29.685 29.460 0.109 0.000 1.126 41 W HN 0.238 nan 8.180 nan 0.000 0.535 42 A N 0.039 122.936 122.820 0.129 0.000 2.167 42 A HA -0.037 4.283 4.320 0.000 0.000 0.214 42 A C 1.615 179.090 177.584 -0.183 0.000 1.151 42 A CA 1.206 53.142 52.037 -0.168 0.000 0.735 42 A CB -0.543 18.536 19.000 0.132 0.000 0.802 42 A HN 0.509 nan 8.150 nan 0.000 0.467 43 E N 0.303 120.484 120.200 -0.031 0.000 2.481 43 E HA 0.208 4.558 4.350 0.000 0.000 0.195 43 E C 0.743 177.224 176.600 -0.198 0.000 1.047 43 E CA 0.125 56.530 56.400 0.009 0.000 0.867 43 E CB -0.037 29.802 29.700 0.230 0.000 0.858 43 E HN 0.576 nan 8.360 nan 0.000 0.513 44 A N 3.419 125.857 122.820 -0.636 0.000 2.440 44 A HA 0.205 4.525 4.320 0.000 0.000 0.251 44 A C -2.031 175.054 177.584 -0.831 0.000 1.089 44 A CA -1.284 49.905 52.037 -1.413 0.000 0.779 44 A CB -0.157 17.713 19.000 -1.883 0.000 1.022 44 A HN -0.058 nan 8.150 nan 0.000 0.492 45 P HA 0.112 nan 4.420 nan 0.000 0.266 45 P C 0.146 177.228 177.300 -0.364 0.000 1.195 45 P CA -0.098 62.769 63.100 -0.388 0.000 0.768 45 P CB 0.622 32.164 31.700 -0.263 0.000 0.838 46 R N 0.908 121.246 120.500 -0.269 0.000 2.237 46 R HA 0.051 4.391 4.340 0.000 0.000 0.195 46 R C 0.895 177.088 176.300 -0.178 0.000 0.956 46 R CA 0.291 56.252 56.100 -0.232 0.000 1.029 46 R CB -0.273 29.909 30.300 -0.197 0.000 0.972 46 R HN 0.658 nan 8.270 nan 0.000 0.493 47 D N 0.812 121.115 120.400 -0.161 0.000 2.363 47 D HA -0.080 4.560 4.640 0.000 0.000 0.240 47 D C 1.158 177.354 176.300 -0.174 0.000 1.236 47 D CA -0.311 53.602 54.000 -0.146 0.000 0.927 47 D CB 1.259 41.986 40.800 -0.121 0.000 1.150 47 D HN -0.139 nan 8.370 nan 0.000 0.458 48 L N 0.278 121.372 121.223 -0.215 0.000 2.156 48 L HA 0.139 4.479 4.340 0.000 0.000 0.208 48 L C 1.853 178.483 176.870 -0.401 0.000 1.095 48 L CA 2.139 56.777 54.840 -0.336 0.000 0.770 48 L CB -0.734 41.058 42.059 -0.445 0.000 0.914 48 L HN 0.924 nan 8.230 nan 0.000 0.439 49 G N -2.419 106.219 108.800 -0.270 0.000 2.175 49 G HA2 -0.295 3.665 3.960 0.000 0.000 0.244 49 G HA3 -0.295 3.665 3.960 0.000 0.000 0.244 49 G C 0.097 175.024 174.900 0.046 0.000 0.982 49 G CA 0.331 45.378 45.100 -0.088 0.000 0.641 49 G HN 0.692 nan 8.290 nan 0.000 0.527 50 Y N -2.366 117.922 120.300 -0.020 0.000 2.788 50 Y HA 0.767 5.317 4.550 0.000 0.000 0.335 50 Y C 0.099 175.991 175.900 -0.013 0.000 1.287 50 Y CA -1.043 57.046 58.100 -0.018 0.000 1.068 50 Y CB 0.388 38.834 38.460 -0.024 0.000 1.340 50 Y HN 0.576 nan 8.280 nan 0.000 0.449 51 S N 1.587 117.431 115.700 0.240 0.000 2.546 51 S HA 0.028 4.498 4.470 0.000 0.000 0.290 51 S C 0.464 175.165 174.600 0.170 0.000 1.262 51 S CA 0.163 58.462 58.200 0.165 0.000 1.083 51 S CB -0.284 63.022 63.200 0.177 0.000 0.859 51 S HN 0.743 nan 8.310 nan 0.000 0.495 52 D N 5.165 125.605 120.400 0.067 0.000 2.344 52 D HA -0.066 4.574 4.640 0.000 0.000 0.242 52 D C 0.959 177.311 176.300 0.086 0.000 1.159 52 D CA -0.097 53.922 54.000 0.031 0.000 0.859 52 D CB -0.542 40.255 40.800 -0.005 0.000 0.925 52 D HN 0.658 nan 8.370 nan 0.000 0.510 53 F N 1.160 121.118 119.950 0.013 0.000 2.009 53 F HA -0.069 4.459 4.527 0.000 0.000 0.293 53 F C 0.992 176.811 175.800 0.033 0.000 1.156 53 F CA 1.257 59.272 58.000 0.024 0.000 1.168 53 F CB 0.130 39.144 39.000 0.023 0.000 0.981 53 F HN 0.035 nan 8.300 nan 0.000 0.475 54 S N 1.168 116.374 115.700 -0.825 0.000 2.486 54 S HA 0.344 4.814 4.470 0.000 0.000 0.144 54 S C -2.156 172.203 174.600 -0.401 0.000 1.542 54 S CA -0.929 56.819 58.200 -0.754 0.000 1.262 54 S CB 0.400 62.865 63.200 -1.224 0.000 1.462 54 S HN 0.274 nan 8.310 nan 0.000 0.381 55 P HA 0.212 nan 4.420 nan 0.000 0.256 55 P C -0.537 176.571 177.300 -0.320 0.000 1.384 55 P CA -0.150 62.753 63.100 -0.328 0.000 0.879 55 P CB -0.411 31.125 31.700 -0.273 0.000 1.403 56 Y N 1.089 121.399 120.300 0.017 0.000 2.376 56 Y HA 0.420 4.970 4.550 0.000 0.000 0.325 56 Y C 1.293 177.171 175.900 -0.037 0.000 1.199 56 Y CA -0.622 57.470 58.100 -0.013 0.000 1.206 56 Y CB 1.308 39.722 38.460 -0.077 0.000 1.229 56 Y HN -0.015 nan 8.280 nan 0.000 0.480 57 Q N 0.909 120.734 119.800 0.042 0.000 2.553 57 Q HA 0.446 4.786 4.340 0.000 0.000 0.293 57 Q C -1.940 174.069 176.000 0.016 0.000 1.038 57 Q CA -1.093 54.615 55.803 -0.158 0.000 0.777 57 Q CB 2.864 31.152 28.738 -0.750 0.000 1.487 57 Q HN 0.810 nan 8.270 nan 0.000 0.426 58 W N 1.833 122.998 121.300 -0.225 0.000 2.802 58 W HA 0.387 5.047 4.660 0.000 0.000 0.331 58 W C -0.753 175.691 176.519 -0.125 0.000 1.021 58 W CA -0.625 56.642 57.345 -0.130 0.000 1.259 58 W CB 1.256 30.681 29.460 -0.058 0.000 1.323 58 W HN 0.953 nan 8.180 nan 0.000 0.432 59 R N 3.426 123.599 120.500 -0.544 0.000 3.405 59 R HA -0.223 4.117 4.340 0.000 0.000 0.258 59 R C 0.940 177.101 176.300 -0.232 0.000 1.030 59 R CA 1.411 57.264 56.100 -0.413 0.000 0.691 59 R CB -1.732 28.319 30.300 -0.415 0.000 1.093 59 R HN 1.053 nan 8.270 nan 0.000 0.448 60 G N -0.721 107.903 108.800 -0.293 0.000 2.143 60 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 60 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 60 G C 0.066 174.878 174.900 -0.145 0.000 0.981 60 G CA 0.306 45.261 45.100 -0.241 0.000 0.665 60 G HN 0.297 nan 8.290 nan 0.000 0.528 61 L N 0.919 122.065 121.223 -0.128 0.000 2.305 61 L HA 0.498 4.838 4.340 0.000 0.000 0.284 61 L C 1.144 178.002 176.870 -0.020 0.000 1.013 61 L CA -1.139 53.688 54.840 -0.021 0.000 0.819 61 L CB 1.291 43.377 42.059 0.046 0.000 1.227 61 L HN 0.080 nan 8.230 nan 0.000 0.417 62 R N 3.342 123.881 120.500 0.065 0.000 2.538 62 R HA 0.064 4.404 4.340 0.000 0.000 0.273 62 R C -0.501 175.841 176.300 0.071 0.000 0.967 62 R CA 0.502 56.675 56.100 0.120 0.000 1.101 62 R CB 0.302 30.713 30.300 0.184 0.000 0.908 62 R HN 0.459 nan 8.270 nan 0.000 0.411 63 M N 4.654 124.282 119.600 0.048 0.000 2.085 63 M HA 0.146 4.626 4.480 0.000 0.000 0.309 63 M C 0.774 177.059 176.300 -0.025 0.000 0.947 63 M CA -0.290 54.990 55.300 -0.033 0.000 0.918 63 M CB 1.790 34.322 32.600 -0.113 0.000 1.504 63 M HN 0.586 nan 8.290 nan 0.000 0.420 64 L N 1.370 122.573 121.223 -0.032 0.000 2.313 64 L HA 0.006 4.346 4.340 0.000 0.000 0.214 64 L C 0.668 177.488 176.870 -0.083 0.000 1.119 64 L CA 0.800 55.616 54.840 -0.040 0.000 0.809 64 L CB -0.231 41.828 42.059 -0.000 0.000 0.933 64 L HN 0.544 nan 8.230 nan 0.000 0.449 65 K N 1.814 122.110 120.400 -0.173 0.000 2.312 65 K HA 0.114 4.434 4.320 0.000 0.000 0.287 65 K C -0.441 175.965 176.600 -0.323 0.000 1.062 65 K CA -0.482 55.669 56.287 -0.228 0.000 0.934 65 K CB 0.707 32.999 32.500 -0.346 0.000 1.027 65 K HN 0.053 nan 8.250 nan 0.000 0.478 66 D N 2.874 123.105 120.400 -0.283 0.000 2.411 66 D HA 0.111 4.751 4.640 0.000 0.000 0.251 66 D C -1.955 174.028 176.300 -0.528 0.000 1.201 66 D CA -2.107 51.588 54.000 -0.508 0.000 0.996 66 D CB 0.386 40.990 40.800 -0.326 0.000 1.101 66 D HN 0.068 nan 8.370 nan 0.000 0.504 67 P HA -0.126 nan 4.420 nan 0.000 0.218 67 P C 0.620 177.779 177.300 -0.235 0.000 1.148 67 P CA 1.141 63.989 63.100 -0.420 0.000 0.822 67 P CB 0.130 31.604 31.700 -0.377 0.000 0.784 68 D N -1.477 118.807 120.400 -0.194 0.000 2.149 68 D HA -0.076 4.564 4.640 0.000 0.000 0.201 68 D C 1.691 177.940 176.300 -0.085 0.000 0.972 68 D CA 1.345 55.281 54.000 -0.106 0.000 0.835 68 D CB -0.402 40.351 40.800 -0.079 0.000 0.966 68 D HN 0.160 nan 8.370 nan 0.000 0.476 69 T N 1.269 115.758 114.554 -0.108 0.000 2.821 69 T HA -0.129 4.221 4.350 0.000 0.000 0.267 69 T C 2.002 176.710 174.700 0.013 0.000 1.046 69 T CA 0.898 62.963 62.100 -0.059 0.000 1.139 69 T CB -0.062 68.784 68.868 -0.037 0.000 0.871 69 T HN 0.219 nan 8.240 nan 0.000 0.454 70 Q N 0.709 120.437 119.800 -0.120 0.000 2.084 70 Q HA -0.012 4.328 4.340 0.000 0.000 0.202 70 Q C 2.750 178.883 176.000 0.221 0.000 0.978 70 Q CA 1.381 57.139 55.803 -0.075 0.000 0.844 70 Q CB -0.330 28.190 28.738 -0.363 0.000 0.898 70 Q HN 0.553 nan 8.270 nan 0.000 0.426 71 A N 0.420 123.284 122.820 0.073 0.000 1.908 71 A HA -0.160 4.160 4.320 0.000 0.000 0.218 71 A C 2.353 180.004 177.584 0.112 0.000 1.181 71 A CA 1.455 53.535 52.037 0.071 0.000 0.627 71 A CB -0.804 18.194 19.000 -0.003 0.000 0.818 71 A HN 0.214 nan 8.150 nan 0.000 0.445 72 V N -1.579 118.362 119.914 0.045 0.000 2.261 72 V HA -0.305 3.815 4.120 0.000 0.000 0.246 72 V C 2.359 178.376 176.094 -0.128 0.000 1.047 72 V CA 2.127 64.394 62.300 -0.054 0.000 1.015 72 V CB -1.021 30.698 31.823 -0.172 0.000 0.642 72 V HN 0.690 nan 8.190 nan 0.000 0.446 73 Y N -0.670 119.663 120.300 0.054 0.000 2.293 73 Y HA -0.236 4.314 4.550 0.000 0.000 0.291 73 Y C 2.731 178.675 175.900 0.074 0.000 1.137 73 Y CA 1.849 60.004 58.100 0.093 0.000 1.202 73 Y CB -0.319 38.379 38.460 0.396 0.000 0.990 73 Y HN 0.367 nan 8.280 nan 0.000 0.537 74 H N 0.662 119.863 119.070 0.218 0.000 2.352 74 H HA -0.168 4.388 4.556 0.000 0.000 0.299 74 H C 1.157 176.537 175.328 0.088 0.000 1.097 74 H CA 2.062 58.165 56.048 0.093 0.000 1.311 74 H CB -0.126 29.691 29.762 0.092 0.000 1.377 74 H HN 0.325 nan 8.280 nan 0.000 0.504 75 D N 0.291 120.887 120.400 0.327 0.000 2.183 75 D HA -0.121 4.519 4.640 0.000 0.000 0.203 75 D C 2.469 178.848 176.300 0.132 0.000 0.969 75 D CA 0.617 54.803 54.000 0.311 0.000 0.842 75 D CB -0.276 40.718 40.800 0.323 0.000 0.957 75 D HN 0.416 nan 8.370 nan 0.000 0.484 76 M N -0.089 119.412 119.600 -0.164 0.000 2.175 76 M HA -0.144 4.336 4.480 0.000 0.000 0.264 76 M C 1.496 177.737 176.300 -0.099 0.000 1.063 76 M CA 0.952 56.052 55.300 -0.333 0.000 1.119 76 M CB 0.159 32.379 32.600 -0.634 0.000 1.377 76 M HN -0.044 nan 8.290 nan 0.000 0.415 77 L N -0.578 120.616 121.223 -0.050 0.000 2.072 77 L HA -0.203 4.137 4.340 0.000 0.000 0.205 77 L C 2.152 179.025 176.870 0.005 0.000 1.079 77 L CA 1.743 56.554 54.840 -0.048 0.000 0.752 77 L CB -1.382 40.623 42.059 -0.092 0.000 0.906 77 L HN 0.561 nan 8.230 nan 0.000 0.436 78 W N 0.742 121.945 121.300 -0.161 0.000 2.363 78 W HA -0.227 4.433 4.660 0.000 0.000 0.296 78 W C 2.295 178.807 176.519 -0.011 0.000 1.212 78 W CA 1.883 59.167 57.345 -0.100 0.000 1.260 78 W CB 0.172 29.581 29.460 -0.085 0.000 1.131 78 W HN 0.383 nan 8.180 nan 0.000 0.530 79 E N 0.012 120.267 120.200 0.092 0.000 2.076 79 E HA -0.190 4.160 4.350 0.000 0.000 0.190 79 E C 2.312 178.912 176.600 -0.000 0.000 0.979 79 E CA 0.849 57.280 56.400 0.052 0.000 0.807 79 E CB -0.429 29.398 29.700 0.212 0.000 0.761 79 E HN 0.178 nan 8.360 nan 0.000 0.454 80 L N 0.684 121.920 121.223 0.021 0.000 2.463 80 L HA 0.171 4.511 4.340 0.000 0.000 0.219 80 L C 0.093 176.952 176.870 -0.017 0.000 1.088 80 L CA 0.549 55.416 54.840 0.044 0.000 0.849 80 L CB -0.066 42.052 42.059 0.098 0.000 1.012 80 L HN 0.141 nan 8.230 nan 0.000 0.468 81 R N 0.671 121.127 120.500 -0.074 0.000 3.158 81 R HA -0.126 4.214 4.340 0.000 0.000 0.244 81 R C -2.170 174.096 176.300 -0.058 0.000 0.900 81 R CA 0.025 56.067 56.100 -0.097 0.000 0.618 81 R CB -1.769 28.449 30.300 -0.137 0.000 1.061 81 R HN 0.378 nan 8.270 nan 0.000 0.471 82 P HA -0.022 nan 4.420 nan 0.000 0.268 82 P C 0.360 177.628 177.300 -0.053 0.000 1.205 82 P CA -0.050 63.023 63.100 -0.044 0.000 0.771 82 P CB 0.625 32.280 31.700 -0.076 0.000 0.858 83 R N 0.834 121.313 120.500 -0.035 0.000 2.153 83 R HA 0.100 4.440 4.340 0.000 0.000 0.218 83 R C 0.388 176.654 176.300 -0.057 0.000 1.072 83 R CA 0.991 57.071 56.100 -0.033 0.000 0.990 83 R CB -0.339 29.962 30.300 0.001 0.000 0.889 83 R HN 0.504 nan 8.270 nan 0.000 0.452 84 T N 0.856 115.357 114.554 -0.088 0.000 2.971 84 T HA 0.534 4.884 4.350 0.000 0.000 0.304 84 T C -0.358 174.251 174.700 -0.152 0.000 1.038 84 T CA -0.471 61.564 62.100 -0.107 0.000 1.007 84 T CB 2.261 71.064 68.868 -0.108 0.000 1.055 84 T HN -0.096 nan 8.240 nan 0.000 0.451 85 I N 2.890 123.341 120.570 -0.198 0.000 2.410 85 I HA 0.434 4.604 4.170 0.000 0.000 0.286 85 I C -0.508 175.442 176.117 -0.278 0.000 1.009 85 I CA -1.044 60.063 61.300 -0.321 0.000 1.111 85 I CB 1.725 39.385 38.000 -0.565 0.000 1.262 85 I HN 0.285 nan 8.210 nan 0.000 0.443 86 V N 5.808 125.558 119.914 -0.275 0.000 2.407 86 V HA 0.346 4.466 4.120 0.000 0.000 0.278 86 V C 0.105 175.933 176.094 -0.443 0.000 1.037 86 V CA -0.561 61.553 62.300 -0.309 0.000 0.900 86 V CB 1.558 33.204 31.823 -0.295 0.000 0.983 86 V HN 0.591 nan 8.190 nan 0.000 0.459 87 E N 4.216 124.224 120.200 -0.320 0.000 2.145 87 E HA 0.395 4.745 4.350 0.000 0.000 0.262 87 E C -1.108 175.360 176.600 -0.221 0.000 0.883 87 E CA -0.450 55.797 56.400 -0.254 0.000 0.748 87 E CB 2.186 31.829 29.700 -0.095 0.000 1.140 87 E HN 0.562 nan 8.360 nan 0.000 0.417 88 L N 2.487 123.543 121.223 -0.278 0.000 2.265 88 L HA 0.432 4.772 4.340 0.000 0.000 0.288 88 L C 0.275 177.107 176.870 -0.064 0.000 1.058 88 L CA 0.206 54.967 54.840 -0.133 0.000 0.809 88 L CB 0.670 42.663 42.059 -0.111 0.000 1.179 88 L HN 0.733 nan 8.230 nan 0.000 0.429 89 G N 3.350 112.138 108.800 -0.020 0.000 3.307 89 G HA2 -0.134 3.826 3.960 0.000 0.000 0.686 89 G HA3 -0.134 3.826 3.960 0.000 0.000 0.686 89 G C -0.205 174.708 174.900 0.022 0.000 0.983 89 G CA -0.376 44.717 45.100 -0.011 0.000 0.804 89 G HN 0.484 nan 8.290 nan 0.000 0.531 90 V N 3.802 123.754 119.914 0.064 0.000 2.911 90 V HA 0.284 4.404 4.120 0.000 0.000 0.237 90 V C 1.493 177.687 176.094 0.166 0.000 1.156 90 V CA 2.085 64.435 62.300 0.084 0.000 1.180 90 V CB -0.925 30.931 31.823 0.056 0.000 0.932 90 V HN 1.690 nan 8.190 nan 0.000 0.483 91 Y N 2.221 122.534 120.300 0.022 0.000 2.865 91 Y HA -0.479 4.071 4.550 0.000 0.000 0.468 91 Y C 1.794 177.718 175.900 0.041 0.000 1.176 91 Y CA 2.080 60.202 58.100 0.038 0.000 2.599 91 Y CB -1.478 37.009 38.460 0.045 0.000 1.207 91 Y HN 0.503 nan 8.280 nan 0.000 0.627 92 N N 2.064 120.549 118.700 -0.357 0.000 2.467 92 N HA 0.162 4.902 4.740 0.000 0.000 0.184 92 N C 1.519 176.971 175.510 -0.096 0.000 1.106 92 N CA 1.621 54.465 53.050 -0.343 0.000 0.892 92 N CB 0.342 38.619 38.487 -0.351 0.000 0.969 92 N HN 1.544 nan 8.380 nan 0.000 0.454 93 G N -0.644 108.151 108.800 -0.009 0.000 2.176 93 G HA2 -0.267 3.693 3.960 0.000 0.000 0.253 93 G HA3 -0.267 3.693 3.960 0.000 0.000 0.253 93 G C 1.011 175.938 174.900 0.046 0.000 0.979 93 G CA 0.414 45.529 45.100 0.025 0.000 0.641 93 G HN 0.644 nan 8.290 nan 0.000 0.530 94 G N 0.384 109.210 108.800 0.044 0.000 2.432 94 G HA2 0.024 3.984 3.960 0.000 0.000 0.219 94 G HA3 0.024 3.984 3.960 0.000 0.000 0.219 94 G C 1.859 176.766 174.900 0.012 0.000 1.135 94 G CA 2.088 47.220 45.100 0.053 0.000 0.767 94 G HN 0.732 nan 8.290 nan 0.000 0.550 95 S N 0.031 115.724 115.700 -0.011 0.000 2.368 95 S HA -0.041 4.429 4.470 0.000 0.000 0.224 95 S C 2.277 176.924 174.600 0.078 0.000 1.029 95 S CA 0.605 58.771 58.200 -0.056 0.000 0.988 95 S CB -0.155 63.047 63.200 0.003 0.000 0.838 95 S HN 0.163 nan 8.310 nan 0.000 0.462 96 L N 1.547 122.844 121.223 0.123 0.000 2.017 96 L HA -0.005 4.335 4.340 0.000 0.000 0.208 96 L C 2.589 179.523 176.870 0.107 0.000 1.073 96 L CA 1.806 56.731 54.840 0.142 0.000 0.745 96 L CB -1.501 40.610 42.059 0.088 0.000 0.894 96 L HN 0.299 nan 8.230 nan 0.000 0.432 97 A N -2.144 120.733 122.820 0.095 0.000 1.968 97 A HA -0.234 4.086 4.320 0.000 0.000 0.217 97 A C 2.158 179.783 177.584 0.069 0.000 1.169 97 A CA 1.116 53.225 52.037 0.121 0.000 0.638 97 A CB -0.994 18.121 19.000 0.192 0.000 0.812 97 A HN 0.575 nan 8.150 nan 0.000 0.446 98 W N -0.215 120.878 121.300 -0.345 0.000 2.378 98 W HA -0.115 4.545 4.660 0.000 0.000 0.313 98 W C 1.751 177.951 176.519 -0.532 0.000 1.197 98 W CA 1.707 58.553 57.345 -0.831 0.000 1.304 98 W CB -0.646 28.156 29.460 -1.097 0.000 1.148 98 W HN 0.288 nan 8.180 nan 0.000 0.494 99 F N 0.584 120.319 119.950 -0.359 0.000 2.154 99 F HA -0.274 4.253 4.527 0.000 0.000 0.301 99 F C 2.821 178.401 175.800 -0.366 0.000 1.087 99 F CA 1.691 59.401 58.000 -0.483 0.000 1.274 99 F CB -0.531 38.306 39.000 -0.271 0.000 1.009 99 F HN -0.166 nan 8.300 nan 0.000 0.485 100 R N 0.895 121.372 120.500 -0.038 0.000 2.062 100 R HA -0.129 4.211 4.340 0.000 0.000 0.229 100 R C 1.579 177.845 176.300 -0.056 0.000 1.128 100 R CA 1.805 57.886 56.100 -0.031 0.000 0.960 100 R CB -0.752 29.558 30.300 0.018 0.000 0.855 100 R HN 0.171 nan 8.270 nan 0.000 0.432 101 D N 0.871 121.239 120.400 -0.053 0.000 2.144 101 D HA -0.135 4.505 4.640 0.000 0.000 0.199 101 D C 1.998 178.252 176.300 -0.077 0.000 0.984 101 D CA 0.777 54.793 54.000 0.025 0.000 0.834 101 D CB -0.100 40.864 40.800 0.273 0.000 0.955 101 D HN 0.224 nan 8.370 nan 0.000 0.465 102 L N 0.680 121.720 121.223 -0.305 0.000 2.072 102 L HA -0.116 4.224 4.340 0.000 0.000 0.205 102 L C 2.517 179.272 176.870 -0.191 0.000 1.079 102 L CA 1.531 56.162 54.840 -0.348 0.000 0.752 102 L CB -0.583 41.030 42.059 -0.743 0.000 0.906 102 L HN 0.163 nan 8.230 nan 0.000 0.436 103 T N -3.341 111.111 114.554 -0.170 0.000 2.962 103 T HA -0.207 4.143 4.350 0.000 0.000 0.270 103 T C 1.847 176.523 174.700 -0.040 0.000 1.088 103 T CA 0.833 62.879 62.100 -0.090 0.000 1.127 103 T CB -0.091 68.725 68.868 -0.086 0.000 0.883 103 T HN 0.185 nan 8.240 nan 0.000 0.493 104 K N 1.043 121.424 120.400 -0.032 0.000 2.031 104 K HA 0.048 4.368 4.320 0.000 0.000 0.205 104 K C 2.450 179.063 176.600 0.021 0.000 1.049 104 K CA 1.370 57.657 56.287 0.001 0.000 0.939 104 K CB -0.260 32.248 32.500 0.012 0.000 0.717 104 K HN 0.549 nan 8.250 nan 0.000 0.438 105 I N -1.414 119.172 120.570 0.026 0.000 2.454 105 I HA -0.217 3.953 4.170 0.000 0.000 0.254 105 I C 1.898 178.061 176.117 0.077 0.000 1.156 105 I CA 1.341 62.670 61.300 0.048 0.000 1.433 105 I CB -0.688 37.344 38.000 0.054 0.000 1.082 105 I HN 0.137 nan 8.210 nan 0.000 0.432 106 M N 1.109 120.761 119.600 0.086 0.000 2.492 106 M HA 0.107 4.587 4.480 0.000 0.000 0.262 106 M C 1.610 177.995 176.300 0.143 0.000 1.090 106 M CA 1.230 56.651 55.300 0.202 0.000 1.110 106 M CB -0.099 32.621 32.600 0.201 0.000 1.407 106 M HN 0.632 nan 8.290 nan 0.000 0.470 107 G N 1.331 110.171 108.800 0.066 0.000 2.176 107 G HA2 -0.245 3.715 3.960 0.000 0.000 0.253 107 G HA3 -0.245 3.715 3.960 0.000 0.000 0.253 107 G C 0.130 175.030 174.900 -0.001 0.000 0.979 107 G CA -0.289 44.831 45.100 0.034 0.000 0.641 107 G HN 0.427 nan 8.290 nan 0.000 0.530 108 I N 1.159 121.721 120.570 -0.013 0.000 2.575 108 I HA 0.272 4.442 4.170 0.000 0.000 0.285 108 I C 0.338 176.438 176.117 -0.028 0.000 1.085 108 I CA -0.272 61.006 61.300 -0.037 0.000 1.403 108 I CB 0.920 38.888 38.000 -0.054 0.000 1.409 108 I HN 0.052 nan 8.210 nan 0.000 0.557 109 D N 6.026 126.409 120.400 -0.027 0.000 2.468 109 D HA 0.202 4.842 4.640 0.000 0.000 0.218 109 D C -1.191 175.094 176.300 -0.025 0.000 1.155 109 D CA -0.077 53.912 54.000 -0.019 0.000 0.924 109 D CB 0.438 41.231 40.800 -0.012 0.000 1.029 109 D HN 0.430 nan 8.370 nan 0.000 0.515 110 C N 4.255 123.536 119.300 -0.031 0.000 2.455 110 C HA 0.480 4.940 4.460 0.000 0.000 0.320 110 C C -0.834 174.135 174.990 -0.036 0.000 1.226 110 C CA -0.675 58.316 59.018 -0.044 0.000 1.569 110 C CB 1.151 28.850 27.740 -0.068 0.000 2.200 110 C HN 0.472 nan 8.230 nan 0.000 0.491 111 Q N 3.946 123.724 119.800 -0.036 0.000 2.303 111 Q HA 0.422 4.762 4.340 0.000 0.000 0.257 111 Q C -0.503 175.468 176.000 -0.049 0.000 0.941 111 Q CA -0.197 55.590 55.803 -0.026 0.000 0.931 111 Q CB 1.768 30.501 28.738 -0.009 0.000 1.215 111 Q HN 0.651 nan 8.270 nan 0.000 0.437 112 V N 4.453 124.345 119.914 -0.037 0.000 2.509 112 V HA 0.453 4.573 4.120 0.000 0.000 0.284 112 V C 0.291 176.371 176.094 -0.024 0.000 1.047 112 V CA -0.415 61.855 62.300 -0.051 0.000 0.952 112 V CB 1.079 32.895 31.823 -0.011 0.000 0.988 112 V HN 0.604 nan 8.190 nan 0.000 0.469 113 I N 2.984 123.525 120.570 -0.048 0.000 2.498 113 I HA 0.668 4.838 4.170 0.000 0.000 0.290 113 I C 0.402 176.501 176.117 -0.030 0.000 1.032 113 I CA -0.201 61.090 61.300 -0.014 0.000 1.073 113 I CB 2.183 40.166 38.000 -0.028 0.000 1.251 113 I HN 0.732 nan 8.210 nan 0.000 0.426 114 G N 7.043 115.855 108.800 0.020 0.000 2.574 114 G HA2 0.736 4.696 3.960 0.000 0.000 0.306 114 G HA3 0.736 4.696 3.960 0.000 0.000 0.306 114 G C -0.896 174.032 174.900 0.045 0.000 1.334 114 G CA -0.313 44.796 45.100 0.015 0.000 0.954 114 G HN 0.430 nan 8.290 nan 0.000 0.500 115 I N 2.236 122.816 120.570 0.017 0.000 2.412 115 I HA 0.519 4.689 4.170 0.000 0.000 0.296 115 I C -0.667 175.464 176.117 0.022 0.000 0.987 115 I CA -0.535 60.784 61.300 0.032 0.000 1.180 115 I CB 2.135 40.144 38.000 0.016 0.000 1.340 115 I HN 0.332 nan 8.210 nan 0.000 0.455 116 D N 3.888 124.300 120.400 0.019 0.000 2.720 116 D HA 0.133 4.773 4.640 0.000 0.000 0.239 116 D C 0.162 176.466 176.300 0.008 0.000 1.218 116 D CA -0.533 53.478 54.000 0.018 0.000 0.748 116 D CB 1.661 42.481 40.800 0.033 0.000 1.387 116 D HN 0.625 nan 8.370 nan 0.000 0.438 117 R N 1.038 121.543 120.500 0.008 0.000 2.073 117 R HA 0.037 4.377 4.340 0.000 0.000 0.229 117 R C 0.356 176.663 176.300 0.012 0.000 1.120 117 R CA 0.741 56.842 56.100 0.003 0.000 0.967 117 R CB -0.028 30.274 30.300 0.004 0.000 0.862 117 R HN 0.110 nan 8.270 nan 0.000 0.436 118 D N 0.445 120.860 120.400 0.026 0.000 2.460 118 D HA 0.184 4.824 4.640 0.000 0.000 0.232 118 D C 0.126 176.448 176.300 0.036 0.000 1.079 118 D CA -0.422 53.597 54.000 0.031 0.000 0.864 118 D CB 1.201 42.027 40.800 0.043 0.000 1.048 118 D HN 0.168 nan 8.370 nan 0.000 0.523 119 L N 2.484 123.720 121.223 0.021 0.000 2.592 119 L HA 0.045 4.385 4.340 0.000 0.000 0.227 119 L C 2.014 178.887 176.870 0.005 0.000 1.127 119 L CA 0.095 54.944 54.840 0.014 0.000 0.884 119 L CB -0.040 42.023 42.059 0.006 0.000 1.065 119 L HN 0.357 nan 8.230 nan 0.000 0.457 120 S N -0.676 115.030 115.700 0.010 0.000 2.481 120 S HA -0.134 4.336 4.470 0.000 0.000 0.231 120 S C 1.927 176.520 174.600 -0.010 0.000 0.996 120 S CA 0.432 58.634 58.200 0.004 0.000 0.942 120 S CB -0.142 63.066 63.200 0.014 0.000 0.768 120 S HN 0.338 nan 8.310 nan 0.000 0.520 121 R N 0.224 120.711 120.500 -0.021 0.000 2.276 121 R HA 0.258 4.598 4.340 0.000 0.000 0.203 121 R C 0.831 177.041 176.300 -0.150 0.000 1.017 121 R CA 0.132 56.178 56.100 -0.089 0.000 1.010 121 R CB -0.753 29.476 30.300 -0.119 0.000 0.900 121 R HN 0.497 nan 8.270 nan 0.000 0.469 122 C N 1.456 120.703 119.300 -0.088 0.000 2.648 122 C HA 0.058 4.518 4.460 0.000 0.000 0.419 122 C C 1.029 175.982 174.990 -0.063 0.000 1.352 122 C CA -0.244 58.728 59.018 -0.076 0.000 1.816 122 C CB 0.192 27.913 27.740 -0.031 0.000 2.598 122 C HN 0.490 nan 8.230 nan 0.000 0.598 123 Q N 4.098 123.861 119.800 -0.063 0.000 2.247 123 Q HA 0.272 4.612 4.340 0.000 0.000 0.211 123 Q C 0.058 176.047 176.000 -0.019 0.000 0.861 123 Q CA 0.208 55.985 55.803 -0.045 0.000 0.949 123 Q CB 0.170 28.874 28.738 -0.057 0.000 1.115 123 Q HN 0.802 nan 8.270 nan 0.000 0.507 124 I N 4.733 125.299 120.570 -0.007 0.000 2.517 124 I HA 0.043 4.213 4.170 0.000 0.000 0.285 124 I C -1.726 174.394 176.117 0.005 0.000 1.106 124 I CA -1.379 59.927 61.300 0.010 0.000 1.402 124 I CB 0.275 38.289 38.000 0.023 0.000 1.399 124 I HN -0.119 nan 8.210 nan 0.000 0.535 125 P HA 0.085 nan 4.420 nan 0.000 0.271 125 P C 0.468 177.771 177.300 0.005 0.000 1.218 125 P CA -0.349 62.753 63.100 0.002 0.000 0.780 125 P CB 1.159 32.860 31.700 0.001 0.000 0.901 126 A N 3.087 125.908 122.820 0.002 0.000 1.997 126 A HA -0.227 4.093 4.320 0.000 0.000 0.221 126 A C 2.151 179.739 177.584 0.006 0.000 1.172 126 A CA 2.402 54.441 52.037 0.003 0.000 0.645 126 A CB -1.634 17.366 19.000 -0.000 0.000 0.813 126 A HN 0.692 nan 8.150 nan 0.000 0.454 127 S N -1.397 114.306 115.700 0.005 0.000 2.547 127 S HA -0.083 4.387 4.470 0.000 0.000 0.235 127 S C 0.784 175.390 174.600 0.011 0.000 0.980 127 S CA 1.346 59.550 58.200 0.006 0.000 0.941 127 S CB -0.187 63.016 63.200 0.004 0.000 0.763 127 S HN 0.506 nan 8.310 nan 0.000 0.532 128 D N -0.339 120.070 120.400 0.015 0.000 2.720 128 D HA 0.300 4.940 4.640 0.000 0.000 0.285 128 D C 0.416 176.733 176.300 0.029 0.000 1.359 128 D CA -0.157 53.857 54.000 0.023 0.000 0.818 128 D CB 0.080 40.896 40.800 0.027 0.000 1.108 128 D HN 0.169 nan 8.370 nan 0.000 0.474 129 M N 0.512 120.125 119.600 0.023 0.000 2.475 129 M HA 0.194 4.675 4.480 0.000 0.000 0.261 129 M C 0.239 176.553 176.300 0.022 0.000 1.177 129 M CA -0.046 55.268 55.300 0.024 0.000 0.979 129 M CB -0.260 32.350 32.600 0.017 0.000 1.482 129 M HN 0.148 nan 8.290 nan 0.000 0.484 130 E N 1.589 121.802 120.200 0.022 0.000 2.351 130 E HA -0.023 4.327 4.350 0.000 0.000 0.266 130 E C -0.148 176.463 176.600 0.019 0.000 1.031 130 E CA 0.441 56.852 56.400 0.019 0.000 0.911 130 E CB 0.046 29.757 29.700 0.018 0.000 0.986 130 E HN 0.512 nan 8.360 nan 0.000 0.446 131 N N 2.716 121.426 118.700 0.017 0.000 2.776 131 N HA -0.199 4.541 4.740 0.000 0.000 0.250 131 N C -1.091 174.429 175.510 0.017 0.000 1.112 131 N CA 0.511 53.569 53.050 0.014 0.000 0.733 131 N CB -0.998 37.493 38.487 0.006 0.000 1.097 131 N HN 0.399 nan 8.380 nan 0.000 0.558 132 I N 0.151 120.736 120.570 0.024 0.000 2.498 132 I HA 0.385 4.555 4.170 0.000 0.000 0.290 132 I C -0.275 175.864 176.117 0.036 0.000 1.032 132 I CA -0.554 60.763 61.300 0.030 0.000 1.073 132 I CB 2.174 40.195 38.000 0.034 0.000 1.251 132 I HN -0.151 nan 8.210 nan 0.000 0.426 133 T N 6.022 120.607 114.554 0.052 0.000 2.879 133 T HA 0.512 4.862 4.350 0.000 0.000 0.290 133 T C -0.491 174.267 174.700 0.098 0.000 0.993 133 T CA -0.559 61.585 62.100 0.073 0.000 0.975 133 T CB 1.677 70.617 68.868 0.119 0.000 0.981 133 T HN 0.071 nan 8.240 nan 0.000 0.439 134 L N 2.638 123.893 121.223 0.054 0.000 2.399 134 L HA 0.570 4.910 4.340 0.000 0.000 0.265 134 L C -0.115 176.771 176.870 0.026 0.000 1.089 134 L CA -0.328 54.543 54.840 0.052 0.000 0.802 134 L CB 0.421 42.485 42.059 0.009 0.000 1.180 134 L HN 0.748 nan 8.230 nan 0.000 0.454 135 H N 0.365 119.428 119.070 -0.011 0.000 3.224 135 H HA 0.271 4.827 4.556 0.000 0.000 0.331 135 H C -0.864 174.442 175.328 -0.037 0.000 1.002 135 H CA -0.362 55.674 56.048 -0.020 0.000 1.473 135 H CB 1.374 31.124 29.762 -0.020 0.000 1.830 135 H HN 0.513 nan 8.280 nan 0.000 0.485 136 Q N 3.176 122.984 119.800 0.012 0.000 2.322 136 Q HA 0.569 4.909 4.340 0.000 0.000 0.256 136 Q C -0.416 175.574 176.000 -0.016 0.000 0.960 136 Q CA -0.474 55.328 55.803 -0.002 0.000 0.934 136 Q CB 0.761 29.487 28.738 -0.020 0.000 1.200 136 Q HN 0.841 nan 8.270 nan 0.000 0.435 137 G N 2.352 111.123 108.800 -0.048 0.000 2.687 137 G HA2 0.281 4.241 3.960 0.000 0.000 0.291 137 G HA3 0.281 4.241 3.960 0.000 0.000 0.291 137 G C -1.809 173.020 174.900 -0.118 0.000 1.420 137 G CA -0.603 44.430 45.100 -0.112 0.000 0.796 137 G HN 0.553 nan 8.290 nan 0.000 0.485 138 D N -1.202 119.108 120.400 -0.150 0.000 2.163 138 D HA 0.447 5.087 4.640 0.000 0.000 0.248 138 D C 1.213 177.443 176.300 -0.118 0.000 1.035 138 D CA -0.502 53.441 54.000 -0.096 0.000 0.872 138 D CB 1.852 42.617 40.800 -0.058 0.000 1.183 138 D HN 0.234 nan 8.370 nan 0.000 0.445 139 C N 0.716 120.025 119.300 0.016 0.000 2.442 139 C HA -0.097 4.363 4.460 0.000 0.000 0.279 139 C C 2.714 177.796 174.990 0.153 0.000 1.237 139 C CA 0.629 59.746 59.018 0.166 0.000 1.722 139 C CB -0.646 27.212 27.740 0.196 0.000 2.056 139 C HN 0.713 nan 8.230 nan 0.000 0.469 140 S N 0.492 116.249 115.700 0.095 0.000 2.462 140 S HA -0.123 4.347 4.470 0.000 0.000 0.243 140 S C 0.369 175.006 174.600 0.061 0.000 1.003 140 S CA 1.236 59.486 58.200 0.083 0.000 0.970 140 S CB -0.600 62.636 63.200 0.061 0.000 0.762 140 S HN 0.824 nan 8.310 nan 0.000 0.510 141 D N -0.226 120.191 120.400 0.027 0.000 2.505 141 D HA 0.160 4.800 4.640 0.000 0.000 0.249 141 D C 0.455 176.738 176.300 -0.028 0.000 1.082 141 D CA -0.599 53.401 54.000 0.001 0.000 0.839 141 D CB 1.166 41.947 40.800 -0.031 0.000 1.317 141 D HN 0.097 nan 8.370 nan 0.000 0.497 142 L N 1.760 122.983 121.223 -0.001 0.000 2.610 142 L HA -0.021 4.319 4.340 0.000 0.000 0.232 142 L C 1.983 178.752 176.870 -0.170 0.000 1.149 142 L CA 0.392 55.210 54.840 -0.036 0.000 0.872 142 L CB -0.393 41.613 42.059 -0.088 0.000 0.992 142 L HN 0.452 nan 8.230 nan 0.000 0.447 143 T N -1.251 113.204 114.554 -0.164 0.000 2.833 143 T HA -0.177 4.173 4.350 0.000 0.000 0.269 143 T C 1.966 176.480 174.700 -0.310 0.000 1.054 143 T CA 1.777 63.748 62.100 -0.215 0.000 1.135 143 T CB -0.274 68.478 68.868 -0.193 0.000 0.869 143 T HN 0.315 nan 8.240 nan 0.000 0.466 144 T N 1.931 116.238 114.554 -0.410 0.000 2.653 144 T HA -0.137 4.213 4.350 0.000 0.000 0.268 144 T C 1.504 175.881 174.700 -0.539 0.000 1.035 144 T CA 1.646 63.418 62.100 -0.546 0.000 1.154 144 T CB -0.558 67.771 68.868 -0.899 0.000 0.862 144 T HN 0.500 nan 8.240 nan 0.000 0.441 145 F N 0.662 120.429 119.950 -0.306 0.000 2.317 145 F HA 0.212 4.739 4.527 0.000 0.000 0.293 145 F C 2.446 178.185 175.800 -0.102 0.000 1.085 145 F CA 0.217 58.009 58.000 -0.347 0.000 1.390 145 F CB -0.537 37.919 39.000 -0.907 0.000 1.077 145 F HN 0.085 nan 8.300 nan 0.000 0.517 146 E N 0.068 120.322 120.200 0.091 0.000 2.045 146 E HA -0.242 4.108 4.350 0.000 0.000 0.212 146 E C 0.296 177.103 176.600 0.344 0.000 1.039 146 E CA 1.516 58.139 56.400 0.372 0.000 0.860 146 E CB -0.443 29.355 29.700 0.163 0.000 0.776 146 E HN 0.421 nan 8.360 nan 0.000 0.467 147 H N -0.406 118.738 119.070 0.125 0.000 3.125 147 H HA -0.005 4.551 4.556 0.000 0.000 0.310 147 H C -0.247 175.142 175.328 0.101 0.000 0.980 147 H CA -0.243 55.867 56.048 0.103 0.000 1.422 147 H CB 0.256 30.066 29.762 0.080 0.000 1.432 147 H HN 0.116 nan 8.280 nan 0.000 0.577 148 L N 2.546 123.900 121.223 0.217 0.000 3.571 148 L HA -0.264 4.076 4.340 0.000 0.000 0.630 148 L C 0.805 177.796 176.870 0.201 0.000 1.265 148 L CA 0.809 55.742 54.840 0.155 0.000 0.998 148 L CB -0.833 41.285 42.059 0.099 0.000 1.574 148 L HN 0.776 nan 8.230 nan 0.000 0.867 149 R N 0.458 121.100 120.500 0.235 0.000 2.831 149 R HA 0.270 4.610 4.340 0.000 0.000 0.337 149 R C 0.123 176.530 176.300 0.178 0.000 1.200 149 R CA -0.121 56.126 56.100 0.244 0.000 1.088 149 R CB 0.286 30.753 30.300 0.278 0.000 1.397 149 R HN 0.539 nan 8.270 nan 0.000 0.581 150 E N 1.420 121.708 120.200 0.146 0.000 3.659 150 E HA 0.207 4.557 4.350 0.000 0.000 0.217 150 E C -0.596 176.074 176.600 0.116 0.000 1.141 150 E CA -0.433 56.040 56.400 0.121 0.000 1.340 150 E CB 0.435 30.187 29.700 0.086 0.000 1.295 150 E HN 0.192 nan 8.360 nan 0.000 0.434 151 M N 1.133 120.815 119.600 0.137 0.000 2.423 151 M HA 0.538 5.018 4.480 0.000 0.000 0.335 151 M C 0.231 176.620 176.300 0.148 0.000 1.177 151 M CA -0.687 54.670 55.300 0.095 0.000 1.038 151 M CB 1.759 34.385 32.600 0.043 0.000 1.641 151 M HN 0.270 nan 8.290 nan 0.000 0.455 152 A N 2.489 125.375 122.820 0.109 0.000 2.366 152 A HA 0.380 4.700 4.320 0.000 0.000 0.249 152 A C -0.304 177.367 177.584 0.145 0.000 1.084 152 A CA -0.071 52.065 52.037 0.166 0.000 0.794 152 A CB 0.182 19.233 19.000 0.084 0.000 1.034 152 A HN 0.883 nan 8.150 nan 0.000 0.491 153 H N 0.290 119.373 119.070 0.022 0.000 2.670 153 H HA 0.394 4.950 4.556 0.000 0.000 0.361 153 H C -2.326 173.011 175.328 0.016 0.000 1.169 153 H CA -1.813 54.251 56.048 0.026 0.000 1.198 153 H CB 1.267 31.046 29.762 0.029 0.000 1.700 153 H HN 0.473 nan 8.280 nan 0.000 0.542 154 P HA 0.121 nan 4.420 nan 0.000 0.272 154 P C -0.842 176.460 177.300 0.003 0.000 1.230 154 P CA -0.302 62.869 63.100 0.119 0.000 0.788 154 P CB 0.872 32.632 31.700 0.101 0.000 0.949 155 L N 1.249 122.459 121.223 -0.021 0.000 2.388 155 L HA 0.633 4.973 4.340 0.000 0.000 0.264 155 L C -1.452 175.445 176.870 0.045 0.000 0.998 155 L CA -0.790 53.997 54.840 -0.089 0.000 0.817 155 L CB 1.500 43.389 42.059 -0.284 0.000 1.338 155 L HN 0.203 nan 8.230 nan 0.000 0.414 156 I N 3.842 124.415 120.570 0.004 0.000 2.418 156 I HA 0.321 4.491 4.170 0.000 0.000 0.287 156 I C -1.216 174.913 176.117 0.021 0.000 1.008 156 I CA -0.352 60.980 61.300 0.053 0.000 1.104 156 I CB 1.822 39.777 38.000 -0.075 0.000 1.264 156 I HN 0.468 nan 8.210 nan 0.000 0.438 157 F N 7.651 127.564 119.950 -0.061 0.000 2.420 157 F HA 0.637 5.164 4.527 0.000 0.000 0.342 157 F C -0.471 175.158 175.800 -0.285 0.000 1.113 157 F CA -0.418 57.482 58.000 -0.167 0.000 1.059 157 F CB 0.949 39.866 39.000 -0.138 0.000 1.128 157 F HN 0.207 nan 8.300 nan 0.000 0.475 158 I N 4.954 125.237 120.570 -0.477 0.000 2.439 158 I HA 0.168 4.338 4.170 0.000 0.000 0.285 158 I C -1.296 174.650 176.117 -0.285 0.000 1.021 158 I CA -0.816 60.327 61.300 -0.262 0.000 1.091 158 I CB 1.744 39.660 38.000 -0.140 0.000 1.242 158 I HN 0.461 nan 8.210 nan 0.000 0.439 159 D N 5.243 125.563 120.400 -0.133 0.000 2.339 159 D HA 0.153 4.793 4.640 0.000 0.000 0.241 159 D C 0.030 176.433 176.300 0.171 0.000 1.183 159 D CA 0.153 54.175 54.000 0.037 0.000 0.859 159 D CB 0.914 41.827 40.800 0.188 0.000 1.067 159 D HN 0.379 nan 8.370 nan 0.000 0.484 160 D N 2.797 123.208 120.400 0.018 0.000 2.469 160 D HA 0.171 4.811 4.640 0.000 0.000 0.215 160 D C 0.912 176.843 176.300 -0.615 0.000 1.154 160 D CA 0.033 53.979 54.000 -0.090 0.000 0.832 160 D CB 1.137 41.927 40.800 -0.017 0.000 1.008 160 D HN 0.472 nan 8.370 nan 0.000 0.506 161 A N 0.180 122.688 122.820 -0.520 0.000 1.963 161 A HA 0.010 4.330 4.320 0.000 0.000 0.207 161 A C 0.535 177.915 177.584 -0.339 0.000 1.243 161 A CA 0.558 52.367 52.037 -0.381 0.000 0.728 161 A CB -0.149 18.821 19.000 -0.050 0.000 0.895 161 A HN 0.242 nan 8.150 nan 0.000 0.467 162 H N -1.871 117.323 119.070 0.207 0.000 2.969 162 H HA -0.147 4.409 4.556 0.000 0.000 0.269 162 H C 0.170 175.712 175.328 0.357 0.000 1.230 162 H CA 0.365 56.608 56.048 0.324 0.000 1.123 162 H CB -2.414 27.483 29.762 0.225 0.000 1.289 162 H HN 0.902 nan 8.280 nan 0.000 0.364 163 A N 0.291 123.312 122.820 0.335 0.000 2.331 163 A HA 0.591 4.911 4.320 0.000 0.000 0.320 163 A C 0.897 178.628 177.584 0.244 0.000 1.138 163 A CA 0.077 52.273 52.037 0.265 0.000 0.790 163 A CB 1.021 20.132 19.000 0.184 0.000 1.206 163 A HN 0.318 nan 8.150 nan 0.000 0.470 164 N N 1.135 119.961 118.700 0.209 0.000 2.727 164 N HA -0.159 4.581 4.740 0.000 0.000 0.249 164 N C 0.917 176.541 175.510 0.190 0.000 1.048 164 N CA 1.434 54.591 53.050 0.179 0.000 0.714 164 N CB -1.096 37.490 38.487 0.165 0.000 0.959 164 N HN 0.707 nan 8.380 nan 0.000 0.544 165 T N -1.391 113.286 114.554 0.205 0.000 2.737 165 T HA -0.066 4.284 4.350 0.000 0.000 0.265 165 T C 1.414 176.124 174.700 0.016 0.000 1.038 165 T CA 1.512 63.720 62.100 0.180 0.000 1.144 165 T CB -0.305 68.712 68.868 0.248 0.000 0.866 165 T HN 0.389 nan 8.240 nan 0.000 0.434 166 F N 1.762 121.740 119.950 0.047 0.000 2.259 166 F HA 0.015 4.542 4.527 0.000 0.000 0.298 166 F C 2.440 178.248 175.800 0.014 0.000 1.088 166 F CA 0.454 58.440 58.000 -0.024 0.000 1.358 166 F CB -0.326 38.618 39.000 -0.092 0.000 1.040 166 F HN 0.064 nan 8.300 nan 0.000 0.505 167 N N 0.632 119.437 118.700 0.175 0.000 2.120 167 N HA -0.152 4.588 4.740 0.000 0.000 0.188 167 N C 1.953 177.538 175.510 0.124 0.000 1.024 167 N CA 1.334 54.464 53.050 0.133 0.000 0.852 167 N CB -0.471 38.085 38.487 0.115 0.000 1.003 167 N HN 0.262 nan 8.380 nan 0.000 0.424 168 I N 0.511 121.128 120.570 0.079 0.000 2.394 168 I HA -0.188 3.982 4.170 0.000 0.000 0.251 168 I C 2.360 178.448 176.117 -0.049 0.000 1.136 168 I CA 0.712 62.004 61.300 -0.014 0.000 1.425 168 I CB -0.076 37.902 38.000 -0.036 0.000 1.079 168 I HN 0.122 nan 8.210 nan 0.000 0.425 169 M N 0.587 120.068 119.600 -0.197 0.000 2.200 169 M HA -0.218 4.262 4.480 0.000 0.000 0.265 169 M C 2.337 178.514 176.300 -0.206 0.000 1.066 169 M CA 1.658 56.531 55.300 -0.712 0.000 1.127 169 M CB -0.062 31.889 32.600 -1.081 0.000 1.379 169 M HN 0.063 nan 8.290 nan 0.000 0.420 170 K N -0.507 119.968 120.400 0.125 0.000 1.985 170 K HA -0.270 4.050 4.320 0.000 0.000 0.210 170 K C 1.863 178.467 176.600 0.006 0.000 1.047 170 K CA 2.079 58.451 56.287 0.142 0.000 0.932 170 K CB -0.740 31.816 32.500 0.093 0.000 0.716 170 K HN 0.517 nan 8.250 nan 0.000 0.439 171 W N 1.367 122.612 121.300 -0.093 0.000 2.305 171 W HA -0.331 4.329 4.660 -0.000 0.000 0.308 171 W C 1.977 178.424 176.519 -0.119 0.000 1.226 171 W CA 2.904 60.216 57.345 -0.055 0.000 1.253 171 W CB -0.399 29.075 29.460 0.024 0.000 1.146 171 W HN 0.329 nan 8.180 nan 0.000 0.507 172 A N -0.551 122.281 122.820 0.020 0.000 1.873 172 A HA -0.177 4.143 4.320 0.000 0.000 0.215 172 A C 1.993 179.408 177.584 -0.281 0.000 1.186 172 A CA 2.324 54.262 52.037 -0.165 0.000 0.616 172 A CB -1.243 17.631 19.000 -0.211 0.000 0.823 172 A HN 0.188 nan 8.150 nan 0.000 0.442 173 V N 0.604 120.379 119.914 -0.232 0.000 2.407 173 V HA -0.210 3.910 4.120 0.000 0.000 0.248 173 V C 1.971 177.896 176.094 -0.283 0.000 1.055 173 V CA 2.252 64.440 62.300 -0.187 0.000 1.049 173 V CB -0.723 31.051 31.823 -0.081 0.000 0.662 173 V HN 0.480 nan 8.190 nan 0.000 0.455 174 D N -1.617 118.508 120.400 -0.457 0.000 2.234 174 D HA -0.063 4.577 4.640 0.000 0.000 0.205 174 D C 1.897 177.769 176.300 -0.715 0.000 0.962 174 D CA 1.133 54.745 54.000 -0.646 0.000 0.855 174 D CB 0.055 40.282 40.800 -0.954 0.000 0.951 174 D HN 0.529 nan 8.370 nan 0.000 0.500 175 H N -1.660 117.087 119.070 -0.537 0.000 2.824 175 H HA 0.158 4.714 4.556 0.000 0.000 0.238 175 H C 1.539 176.585 175.328 -0.470 0.000 0.931 175 H CA -0.124 55.560 56.048 -0.608 0.000 1.090 175 H CB 0.407 29.514 29.762 -1.092 0.000 1.433 175 H HN 0.010 nan 8.280 nan 0.000 0.437 176 L N 0.862 121.854 121.223 -0.385 0.000 2.356 176 L HA 0.290 4.630 4.340 0.000 0.000 0.193 176 L C 0.534 177.462 176.870 0.097 0.000 1.087 176 L CA 0.869 55.657 54.840 -0.086 0.000 0.817 176 L CB -0.424 41.624 42.059 -0.018 0.000 1.035 176 L HN -0.045 nan 8.230 nan 0.000 0.482 177 L N 0.734 121.973 121.223 0.027 0.000 2.439 177 L HA 0.170 4.510 4.340 0.000 0.000 0.269 177 L C 0.110 177.022 176.870 0.069 0.000 1.179 177 L CA 0.132 55.037 54.840 0.109 0.000 0.828 177 L CB 0.318 42.407 42.059 0.050 0.000 1.106 177 L HN 0.256 nan 8.230 nan 0.000 0.467 178 E N 0.497 120.768 120.200 0.119 0.000 2.404 178 E HA 0.291 4.641 4.350 0.000 0.000 0.264 178 E C -1.100 175.517 176.600 0.029 0.000 0.946 178 E CA -0.985 55.427 56.400 0.020 0.000 0.806 178 E CB 1.467 31.123 29.700 -0.072 0.000 1.334 178 E HN 0.473 nan 8.360 nan 0.000 0.429 179 E N -0.169 120.029 120.200 -0.004 0.000 2.414 179 E HA 0.115 4.465 4.350 0.000 0.000 0.263 179 E C 0.446 177.051 176.600 0.008 0.000 1.000 179 E CA 1.059 57.453 56.400 -0.010 0.000 0.914 179 E CB 0.308 29.997 29.700 -0.019 0.000 0.948 179 E HN 0.748 nan 8.360 nan 0.000 0.444 180 G N 3.995 112.782 108.800 -0.022 0.000 2.225 180 G HA2 -0.238 3.722 3.960 0.000 0.000 0.254 180 G HA3 -0.238 3.722 3.960 0.000 0.000 0.254 180 G C -0.074 174.827 174.900 0.001 0.000 0.988 180 G CA 0.275 45.364 45.100 -0.019 0.000 0.625 180 G HN 0.620 nan 8.290 nan 0.000 0.527 181 D N -0.187 120.239 120.400 0.043 0.000 2.362 181 D HA 0.560 5.200 4.640 0.000 0.000 0.242 181 D C 0.171 176.504 176.300 0.055 0.000 1.132 181 D CA 0.225 54.300 54.000 0.126 0.000 0.907 181 D CB 0.388 41.287 40.800 0.165 0.000 1.195 181 D HN 0.233 nan 8.370 nan 0.000 0.429 182 Y N 0.130 120.504 120.300 0.123 0.000 2.457 182 Y HA 0.466 5.016 4.550 0.000 0.000 0.333 182 Y C -0.486 175.550 175.900 0.226 0.000 1.119 182 Y CA -0.925 57.265 58.100 0.151 0.000 1.143 182 Y CB 1.328 39.856 38.460 0.114 0.000 1.230 182 Y HN 0.224 nan 8.280 nan 0.000 0.469 183 F N 4.022 124.106 119.950 0.222 0.000 2.499 183 F HA 0.646 5.173 4.527 0.000 0.000 0.333 183 F C -1.367 174.558 175.800 0.208 0.000 1.138 183 F CA -0.824 57.295 58.000 0.199 0.000 0.945 183 F CB 0.611 39.631 39.000 0.033 0.000 1.181 183 F HN 0.285 nan 8.300 nan 0.000 0.435 184 I N 7.656 128.234 120.570 0.013 0.000 2.410 184 I HA 0.359 4.529 4.170 0.000 0.000 0.286 184 I C -0.769 175.387 176.117 0.064 0.000 1.009 184 I CA -0.554 60.818 61.300 0.119 0.000 1.111 184 I CB 1.793 39.883 38.000 0.149 0.000 1.262 184 I HN 0.444 nan 8.210 nan 0.000 0.443 185 I N 6.448 127.105 120.570 0.145 0.000 2.307 185 I HA 0.227 4.397 4.170 0.000 0.000 0.287 185 I C 0.200 176.348 176.117 0.051 0.000 1.054 185 I CA -0.421 60.954 61.300 0.125 0.000 1.218 185 I CB 0.347 38.461 38.000 0.190 0.000 1.398 185 I HN 0.510 nan 8.210 nan 0.000 0.475 186 E N 6.462 126.699 120.200 0.062 0.000 2.316 186 E HA 0.078 4.428 4.350 0.000 0.000 0.275 186 E C -0.172 176.357 176.600 -0.119 0.000 1.029 186 E CA -0.137 56.286 56.400 0.039 0.000 0.871 186 E CB 0.949 30.731 29.700 0.138 0.000 1.022 186 E HN 0.607 nan 8.360 nan 0.000 0.418 187 D N 1.035 121.382 120.400 -0.089 0.000 2.734 187 D HA -0.229 4.411 4.640 0.000 0.000 0.194 187 D C 1.308 177.519 176.300 -0.148 0.000 1.459 187 D CA 1.543 55.491 54.000 -0.086 0.000 1.925 187 D CB -0.620 40.141 40.800 -0.064 0.000 1.370 187 D HN 0.424 nan 8.370 nan 0.000 0.511 188 M N 0.393 119.716 119.600 -0.462 0.000 2.334 188 M HA 0.143 4.623 4.480 0.000 0.000 0.266 188 M C 2.607 178.530 176.300 -0.629 0.000 1.082 188 M CA 0.658 55.484 55.300 -0.790 0.000 1.141 188 M CB -0.493 31.099 32.600 -1.680 0.000 1.380 188 M HN 0.186 nan 8.290 nan 0.000 0.440 189 I N 0.763 121.132 120.570 -0.335 0.000 2.127 189 I HA -0.252 3.918 4.170 0.000 0.000 0.241 189 I C -0.614 175.368 176.117 -0.225 0.000 1.075 189 I CA 1.823 63.054 61.300 -0.114 0.000 1.334 189 I CB -1.570 36.504 38.000 0.123 0.000 1.040 189 I HN 0.148 nan 8.210 nan 0.000 0.405 190 P HA -0.181 nan 4.420 nan 0.000 0.219 190 P C 1.023 178.086 177.300 -0.395 0.000 1.146 190 P CA 1.614 64.546 63.100 -0.280 0.000 0.808 190 P CB -0.091 31.384 31.700 -0.375 0.000 0.779 191 Y N -3.029 117.118 120.300 -0.254 0.000 2.269 191 Y HA -0.070 4.480 4.550 0.000 0.000 0.294 191 Y C 2.300 178.141 175.900 -0.097 0.000 1.120 191 Y CA 0.489 58.419 58.100 -0.283 0.000 1.159 191 Y CB -0.862 37.507 38.460 -0.151 0.000 1.024 191 Y HN -0.070 nan 8.280 nan 0.000 0.532 192 W N -0.860 120.474 121.300 0.056 0.000 2.374 192 W HA -0.250 4.410 4.660 -0.000 0.000 0.288 192 W C 2.339 178.759 176.519 -0.166 0.000 1.218 192 W CA 0.980 58.341 57.345 0.027 0.000 1.245 192 W CB -1.388 28.112 29.460 0.066 0.000 1.126 192 W HN 0.194 nan 8.180 nan 0.000 0.545 193 Y N 1.378 121.446 120.300 -0.386 0.000 2.220 193 Y HA -0.157 4.393 4.550 0.000 0.000 0.291 193 Y C 2.747 178.553 175.900 -0.158 0.000 1.129 193 Y CA 2.241 60.115 58.100 -0.378 0.000 1.161 193 Y CB -0.846 37.346 38.460 -0.445 0.000 0.997 193 Y HN -0.067 nan 8.280 nan 0.000 0.522 194 R N -1.037 119.236 120.500 -0.379 0.000 2.091 194 R HA -0.211 4.129 4.340 0.000 0.000 0.238 194 R C 1.817 177.922 176.300 -0.325 0.000 1.136 194 R CA 2.311 58.106 56.100 -0.508 0.000 0.959 194 R CB -0.682 29.223 30.300 -0.658 0.000 0.856 194 R HN 0.516 nan 8.270 nan 0.000 0.437 195 Y N -1.606 118.685 120.300 -0.015 0.000 2.343 195 Y HA 0.302 4.852 4.550 -0.000 0.000 0.294 195 Y C 0.947 176.860 175.900 0.022 0.000 1.122 195 Y CA -0.075 58.044 58.100 0.032 0.000 1.173 195 Y CB 0.497 39.027 38.460 0.116 0.000 1.077 195 Y HN 0.142 nan 8.280 nan 0.000 0.542 196 A N 0.686 123.622 122.820 0.192 0.000 3.204 196 A HA 0.326 4.646 4.320 0.000 0.000 0.327 196 A C -2.143 175.515 177.584 0.124 0.000 0.998 196 A CA -1.231 50.877 52.037 0.119 0.000 0.891 196 A CB -0.100 18.963 19.000 0.106 0.000 1.061 196 A HN 0.004 nan 8.150 nan 0.000 0.478 197 P HA -0.222 nan 4.420 nan 0.000 0.215 197 P C 1.498 178.916 177.300 0.197 0.000 1.157 197 P CA 1.034 64.217 63.100 0.139 0.000 0.863 197 P CB 0.264 31.900 31.700 -0.106 0.000 0.787 198 Q N -0.295 119.551 119.800 0.076 0.000 2.014 198 Q HA -0.153 4.187 4.340 0.000 0.000 0.207 198 Q C 2.371 178.353 176.000 -0.030 0.000 0.993 198 Q CA 1.473 57.296 55.803 0.033 0.000 0.850 198 Q CB -0.675 28.062 28.738 -0.001 0.000 0.916 198 Q HN 0.195 nan 8.270 nan 0.000 0.417 199 L N -0.082 121.072 121.223 -0.115 0.000 2.046 199 L HA -0.198 4.142 4.340 0.000 0.000 0.208 199 L C 2.423 178.967 176.870 -0.544 0.000 1.077 199 L CA 1.159 55.762 54.840 -0.395 0.000 0.747 199 L CB -0.403 41.384 42.059 -0.453 0.000 0.896 199 L HN 0.305 nan 8.230 nan 0.000 0.432 200 F N 0.246 120.018 119.950 -0.297 0.000 2.084 200 F HA -0.222 4.305 4.527 0.000 0.000 0.296 200 F C 2.634 178.420 175.800 -0.024 0.000 1.111 200 F CA 1.787 59.709 58.000 -0.130 0.000 1.224 200 F CB -0.315 38.788 39.000 0.172 0.000 0.991 200 F HN -0.053 nan 8.300 nan 0.000 0.471 201 S N 0.212 115.955 115.700 0.071 0.000 2.359 201 S HA -0.342 4.128 4.470 0.000 0.000 0.223 201 S C 2.003 176.545 174.600 -0.097 0.000 1.039 201 S CA 1.786 59.981 58.200 -0.009 0.000 1.042 201 S CB -0.748 62.522 63.200 0.116 0.000 0.915 201 S HN 0.698 nan 8.310 nan 0.000 0.439 202 E N 0.155 120.305 120.200 -0.082 0.000 2.110 202 E HA -0.184 4.166 4.350 0.000 0.000 0.193 202 E C 1.762 178.375 176.600 0.021 0.000 0.988 202 E CA 1.102 57.480 56.400 -0.036 0.000 0.804 202 E CB -0.360 29.322 29.700 -0.031 0.000 0.745 202 E HN 0.749 nan 8.360 nan 0.000 0.458 203 Y N 0.431 120.564 120.300 -0.278 0.000 2.163 203 Y HA -0.145 4.405 4.550 0.000 0.000 0.288 203 Y C 2.554 178.342 175.900 -0.187 0.000 1.136 203 Y CA 0.405 58.279 58.100 -0.377 0.000 1.147 203 Y CB 0.087 38.018 38.460 -0.882 0.000 0.987 203 Y HN 0.129 nan 8.280 nan 0.000 0.509 204 L N -0.696 120.443 121.223 -0.141 0.000 2.093 204 L HA -0.157 4.183 4.340 0.000 0.000 0.208 204 L C 2.427 179.356 176.870 0.097 0.000 1.085 204 L CA 1.425 56.247 54.840 -0.031 0.000 0.755 204 L CB -0.712 41.149 42.059 -0.331 0.000 0.904 204 L HN 0.272 nan 8.230 nan 0.000 0.435 205 G N -1.464 107.349 108.800 0.021 0.000 2.650 205 G HA2 -0.114 3.846 3.960 0.000 0.000 0.214 205 G HA3 -0.114 3.846 3.960 0.000 0.000 0.214 205 G C 1.611 176.530 174.900 0.031 0.000 1.136 205 G CA 0.565 45.683 45.100 0.030 0.000 0.789 205 G HN 0.484 nan 8.290 nan 0.000 0.536 206 A N 0.394 123.236 122.820 0.035 0.000 2.019 206 A HA 0.169 4.489 4.320 0.000 0.000 0.219 206 A C 1.619 179.077 177.584 -0.209 0.000 1.164 206 A CA 0.664 52.638 52.037 -0.105 0.000 0.644 206 A CB -0.386 18.500 19.000 -0.190 0.000 0.805 206 A HN 0.314 nan 8.150 nan 0.000 0.449 207 F N -0.126 119.787 119.950 -0.063 0.000 2.660 207 F HA 0.145 4.672 4.527 0.000 0.000 0.302 207 F C 2.034 177.799 175.800 -0.058 0.000 1.103 207 F CA 0.282 58.243 58.000 -0.066 0.000 1.340 207 F CB -0.056 38.910 39.000 -0.058 0.000 1.048 207 F HN 0.343 nan 8.300 nan 0.000 0.551 208 R N 0.174 120.720 120.500 0.076 0.000 2.127 208 R HA -0.144 4.196 4.340 0.000 0.000 0.238 208 R C 0.693 177.002 176.300 0.014 0.000 1.134 208 R CA 2.053 58.177 56.100 0.040 0.000 0.975 208 R CB -0.532 29.776 30.300 0.013 0.000 0.865 208 R HN 0.107 nan 8.270 nan 0.000 0.447 209 D N 0.520 120.913 120.400 -0.011 0.000 2.355 209 D HA -0.021 4.619 4.640 0.000 0.000 0.218 209 D C 1.656 177.942 176.300 -0.023 0.000 1.004 209 D CA 1.050 55.034 54.000 -0.026 0.000 0.880 209 D CB 0.915 41.684 40.800 -0.051 0.000 0.911 209 D HN 0.399 nan 8.370 nan 0.000 0.528 210 V N -3.186 116.729 119.914 0.003 0.000 3.371 210 V HA 0.318 4.438 4.120 0.000 0.000 0.246 210 V C 0.654 176.761 176.094 0.022 0.000 1.303 210 V CA -0.116 62.187 62.300 0.006 0.000 1.156 210 V CB 0.546 32.374 31.823 0.009 0.000 0.929 210 V HN -0.126 nan 8.190 nan 0.000 0.459 211 L N 1.519 122.775 121.223 0.055 0.000 2.309 211 L HA 0.873 5.213 4.340 0.000 0.000 0.261 211 L C -0.429 176.452 176.870 0.018 0.000 1.021 211 L CA -0.138 54.717 54.840 0.023 0.000 0.823 211 L CB 2.303 44.367 42.059 0.009 0.000 1.366 211 L HN 0.422 nan 8.230 nan 0.000 0.423 212 S N 0.939 116.639 115.700 -0.000 0.000 2.556 212 S HA 0.558 5.028 4.470 0.000 0.000 0.271 212 S C -0.902 173.709 174.600 0.018 0.000 1.135 212 S CA -0.846 57.358 58.200 0.006 0.000 0.858 212 S CB 1.849 65.044 63.200 -0.007 0.000 1.114 212 S HN 0.630 nan 8.310 nan 0.000 0.468 213 M N 2.816 122.436 119.600 0.034 0.000 2.146 213 M HA 0.289 4.769 4.480 0.000 0.000 0.352 213 M C -0.711 175.623 176.300 0.057 0.000 1.343 213 M CA -0.038 55.297 55.300 0.058 0.000 1.115 213 M CB 0.317 32.952 32.600 0.058 0.000 1.657 213 M HN 0.797 nan 8.290 nan 0.000 0.471 214 D N 5.509 125.969 120.400 0.099 0.000 2.352 214 D HA 0.092 4.732 4.640 0.000 0.000 0.245 214 D C 0.648 176.994 176.300 0.077 0.000 1.224 214 D CA -0.084 53.981 54.000 0.109 0.000 0.879 214 D CB 0.746 41.705 40.800 0.264 0.000 1.057 214 D HN 0.643 nan 8.370 nan 0.000 0.491 215 M N 3.665 123.274 119.600 0.015 0.000 2.619 215 M HA -0.046 4.434 4.480 0.000 0.000 0.251 215 M C 1.605 177.869 176.300 -0.061 0.000 1.106 215 M CA 0.228 55.523 55.300 -0.007 0.000 1.086 215 M CB -0.534 32.059 32.600 -0.012 0.000 1.465 215 M HN 0.399 nan 8.290 nan 0.000 0.506 216 L N -0.769 120.358 121.223 -0.159 0.000 2.217 216 L HA -0.093 4.247 4.340 0.000 0.000 0.211 216 L C 1.431 178.079 176.870 -0.369 0.000 1.107 216 L CA 1.797 56.437 54.840 -0.334 0.000 0.783 216 L CB -0.303 41.422 42.059 -0.556 0.000 0.919 216 L HN 0.236 nan 8.230 nan 0.000 0.442 217 Y N -2.684 117.643 120.300 0.045 0.000 2.444 217 Y HA 0.362 4.912 4.550 0.000 0.000 0.252 217 Y C 2.156 178.054 175.900 -0.003 0.000 1.091 217 Y CA 0.153 58.257 58.100 0.008 0.000 1.276 217 Y CB -0.110 38.343 38.460 -0.013 0.000 1.170 217 Y HN 0.099 nan 8.280 nan 0.000 0.517 218 A N 0.194 123.097 122.820 0.138 0.000 2.167 218 A HA -0.036 4.284 4.320 0.000 0.000 0.214 218 A C 1.172 178.788 177.584 0.053 0.000 1.151 218 A CA 1.066 53.160 52.037 0.096 0.000 0.735 218 A CB -0.243 18.811 19.000 0.090 0.000 0.802 218 A HN 0.300 nan 8.150 nan 0.000 0.467 219 N N -0.949 117.776 118.700 0.042 0.000 2.238 219 N HA 0.302 5.042 4.740 0.000 0.000 0.235 219 N C 0.731 176.253 175.510 0.019 0.000 1.209 219 N CA 0.737 53.799 53.050 0.021 0.000 0.879 219 N CB 0.886 39.380 38.487 0.011 0.000 1.136 219 N HN 0.373 nan 8.380 nan 0.000 0.517 220 A N -0.248 122.592 122.820 0.033 0.000 2.348 220 A HA 0.278 4.598 4.320 0.000 0.000 0.224 220 A C 0.733 178.321 177.584 0.007 0.000 1.227 220 A CA 0.104 52.160 52.037 0.032 0.000 0.885 220 A CB 0.418 19.463 19.000 0.077 0.000 0.933 220 A HN 0.098 nan 8.150 nan 0.000 0.506 221 S N -1.123 114.574 115.700 -0.005 0.000 2.543 221 S HA 0.350 4.820 4.470 0.000 0.000 0.273 221 S C 0.744 175.333 174.600 -0.018 0.000 1.152 221 S CA 0.394 58.581 58.200 -0.022 0.000 0.910 221 S CB 1.127 64.300 63.200 -0.044 0.000 1.105 221 S HN 0.762 nan 8.310 nan 0.000 0.465 222 S N 3.318 119.008 115.700 -0.017 0.000 2.428 222 S HA -0.077 4.393 4.470 0.000 0.000 0.230 222 S C 1.416 176.011 174.600 -0.007 0.000 1.014 222 S CA 0.871 59.063 58.200 -0.014 0.000 0.957 222 S CB -0.488 62.707 63.200 -0.007 0.000 0.784 222 S HN 0.779 nan 8.310 nan 0.000 0.499 223 Q N 0.416 120.214 119.800 -0.002 0.000 2.187 223 Q HA 0.240 4.580 4.340 0.000 0.000 0.199 223 Q C 1.475 177.480 176.000 0.009 0.000 0.957 223 Q CA 0.926 56.737 55.803 0.013 0.000 0.857 223 Q CB -0.183 28.567 28.738 0.020 0.000 0.929 223 Q HN 0.571 nan 8.270 nan 0.000 0.453 224 L N 0.729 121.948 121.223 -0.007 0.000 2.653 224 L HA 0.153 4.493 4.340 0.000 0.000 0.231 224 L C 0.100 176.973 176.870 0.006 0.000 1.153 224 L CA -0.505 54.331 54.840 -0.008 0.000 0.933 224 L CB 0.058 42.078 42.059 -0.065 0.000 1.175 224 L HN 0.032 nan 8.230 nan 0.000 0.473 225 D N 2.182 122.579 120.400 -0.005 0.000 2.455 225 D HA -0.054 4.586 4.640 0.000 0.000 0.265 225 D C 0.683 176.988 176.300 0.008 0.000 1.284 225 D CA 0.483 54.480 54.000 -0.006 0.000 0.944 225 D CB 0.263 41.043 40.800 -0.033 0.000 1.121 225 D HN 0.129 nan 8.370 nan 0.000 0.525 226 R N 2.032 122.552 120.500 0.032 0.000 3.651 226 R HA -0.172 4.168 4.340 0.000 0.000 0.292 226 R C 0.868 177.230 176.300 0.104 0.000 1.161 226 R CA 0.827 56.962 56.100 0.059 0.000 0.787 226 R CB -1.879 28.444 30.300 0.038 0.000 1.249 226 R HN 0.502 nan 8.270 nan 0.000 0.476 227 G N -0.519 108.342 108.800 0.101 0.000 3.695 227 G HA2 0.329 4.289 3.960 0.000 0.000 0.277 227 G HA3 0.329 4.289 3.960 0.000 0.000 0.277 227 G C -0.014 174.980 174.900 0.155 0.000 1.001 227 G CA -0.071 45.110 45.100 0.135 0.000 0.837 227 G HN 0.065 nan 8.290 nan 0.000 0.492 228 V N 2.905 122.913 119.914 0.157 0.000 2.320 228 V HA 0.445 4.565 4.120 0.000 0.000 0.265 228 V C -0.004 176.238 176.094 0.247 0.000 1.048 228 V CA -0.361 62.071 62.300 0.220 0.000 0.865 228 V CB 0.474 32.431 31.823 0.223 0.000 1.043 228 V HN 0.159 nan 8.190 nan 0.000 0.474 229 L N 5.817 127.193 121.223 0.254 0.000 2.334 229 L HA 0.861 5.201 4.340 0.000 0.000 0.270 229 L C 0.105 177.016 176.870 0.068 0.000 1.018 229 L CA -0.892 54.040 54.840 0.154 0.000 0.811 229 L CB 1.898 44.032 42.059 0.125 0.000 1.271 229 L HN 0.730 nan 8.230 nan 0.000 0.443 230 R N 1.376 121.817 120.500 -0.099 0.000 2.734 230 R HA 0.783 5.123 4.340 0.000 0.000 0.271 230 R C -1.014 175.194 176.300 -0.154 0.000 1.021 230 R CA -0.930 54.998 56.100 -0.286 0.000 0.893 230 R CB 1.996 31.790 30.300 -0.843 0.000 1.244 230 R HN 0.751 nan 8.270 nan 0.000 0.464 231 R N 0.000 120.419 120.500 -0.136 0.000 2.786 231 R HA 0.000 4.340 4.340 0.000 0.000 0.208 231 R CA 0.000 56.056 56.100 -0.073 0.000 0.921 231 R CB 0.000 30.257 30.300 -0.072 0.000 0.687 231 R HN 0.000 nan 8.270 nan 0.000 0.535