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 1xx1_1_C DATA FIRST_RESID 1 DATA SEQUENCE ADNRRPIWNL AHMVNAVAQI PDFLDLGANA LEADVTFKGS VPTYTYHGTP DATA SEQUENCE cDFGRDcIRW EYFNVFLKTL REYTTPGNAK YRDGFILFVL DLKTGSLSND DATA SEQUENCE QVRPAGENVA KELLQNYWNN GNNGGRAYVV LSLPDIGHYE FVRGFKEVLK DATA SEQUENCE KEGHEDLLEK VGYDFSGPYL PSLPTLDATH EAYKKAGVDG HIWLSDGLTN DATA SEQUENCE FSPLGDMARL KEAIKSRDSA NGFINKIYYW SVDKVSTTKA ALDVGVDGIM DATA SEQUENCE TNYPNVLIGV LKESGYNDKY RLATYDDNPW ETFKN 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.600 177.584 0.026 0.000 1.274 1 A CA 0.000 52.049 52.037 0.020 0.000 0.836 1 A CB 0.000 19.012 19.000 0.021 0.000 0.831 2 D N -0.398 120.025 120.400 0.037 0.000 2.886 2 D HA 0.495 5.134 4.640 -0.000 0.000 0.216 2 D C -0.893 175.459 176.300 0.087 0.000 1.256 2 D CA 0.267 54.298 54.000 0.053 0.000 0.844 2 D CB 1.033 41.867 40.800 0.057 0.000 1.669 2 D HN 0.105 nan 8.370 nan 0.000 0.513 3 N N 1.326 120.087 118.700 0.101 0.000 2.167 3 N HA 0.172 4.912 4.740 -0.000 0.000 0.234 3 N C -0.451 175.210 175.510 0.252 0.000 1.312 3 N CA -0.385 52.769 53.050 0.173 0.000 0.861 3 N CB 0.327 38.864 38.487 0.083 0.000 1.217 3 N HN 0.128 nan 8.380 nan 0.000 0.504 4 R N 0.776 121.341 120.500 0.109 0.000 2.410 4 R HA 0.277 4.617 4.340 -0.000 0.000 0.288 4 R C 0.016 176.139 176.300 -0.295 0.000 1.051 4 R CA -0.748 55.322 56.100 -0.051 0.000 1.021 4 R CB 1.589 31.842 30.300 -0.079 0.000 1.032 4 R HN 0.141 nan 8.270 nan 0.000 0.481 5 R N 4.014 124.143 120.500 -0.618 0.000 2.449 5 R HA 0.077 4.417 4.340 -0.000 0.000 0.296 5 R C -2.116 173.909 176.300 -0.458 0.000 1.047 5 R CA -1.195 54.208 56.100 -1.161 0.000 1.018 5 R CB 0.453 30.323 30.300 -0.716 0.000 0.962 5 R HN 0.331 nan 8.270 nan 0.000 0.428 6 P HA 0.137 nan 4.420 nan 0.000 0.280 6 P C -0.767 176.448 177.300 -0.141 0.000 1.244 6 P CA -0.138 62.822 63.100 -0.235 0.000 0.784 6 P CB 0.925 32.501 31.700 -0.207 0.000 0.913 7 I N 2.878 123.329 120.570 -0.197 0.000 2.433 7 I HA 0.289 4.458 4.170 -0.000 0.000 0.292 7 I C 0.167 176.224 176.117 -0.100 0.000 1.001 7 I CA -0.974 60.316 61.300 -0.016 0.000 1.119 7 I CB 1.272 39.266 38.000 -0.010 0.000 1.289 7 I HN 0.319 nan 8.210 nan 0.000 0.438 8 W N 4.986 126.290 121.300 0.007 0.000 2.332 8 W HA 0.183 4.843 4.660 -0.000 0.000 0.306 8 W C 0.463 177.040 176.519 0.096 0.000 1.149 8 W CA -0.421 56.975 57.345 0.086 0.000 1.271 8 W CB 1.250 30.816 29.460 0.177 0.000 1.243 8 W HN 0.465 nan 8.180 nan 0.000 0.459 9 N N 4.704 123.526 118.700 0.205 0.000 2.645 9 N HA 0.231 4.971 4.740 -0.000 0.000 0.233 9 N C -1.228 174.404 175.510 0.203 0.000 1.058 9 N CA -0.113 53.037 53.050 0.167 0.000 0.942 9 N CB 0.122 38.663 38.487 0.091 0.000 1.210 9 N HN 0.286 nan 8.380 nan 0.000 0.512 10 L N 2.323 123.687 121.223 0.234 0.000 2.255 10 L HA 0.487 4.827 4.340 -0.000 0.000 0.289 10 L C 0.682 177.625 176.870 0.121 0.000 1.046 10 L CA -0.738 54.230 54.840 0.213 0.000 0.816 10 L CB 1.126 43.338 42.059 0.256 0.000 1.197 10 L HN 0.414 nan 8.230 nan 0.000 0.427 11 A N 3.449 126.285 122.820 0.027 0.000 2.491 11 A HA 0.063 4.383 4.320 -0.000 0.000 0.261 11 A C 0.003 177.440 177.584 -0.244 0.000 1.101 11 A CA -0.111 51.825 52.037 -0.170 0.000 0.772 11 A CB -0.284 18.500 19.000 -0.360 0.000 1.043 11 A HN 0.787 nan 8.150 nan 0.000 0.501 12 H N 3.204 122.070 119.070 -0.340 0.000 2.610 12 H HA 0.261 4.816 4.556 -0.000 0.000 0.336 12 H C 0.492 175.585 175.328 -0.392 0.000 1.087 12 H CA 0.192 56.071 56.048 -0.281 0.000 1.405 12 H CB 0.305 29.960 29.762 -0.177 0.000 1.460 12 H HN 0.861 nan 8.280 nan 0.000 0.538 13 M N 4.448 123.620 119.600 -0.714 0.000 2.632 13 M HA -0.200 4.280 4.480 -0.000 0.000 0.184 13 M C -1.736 174.282 176.300 -0.471 0.000 0.976 13 M CA 0.199 55.090 55.300 -0.682 0.000 0.612 13 M CB -0.846 31.125 32.600 -1.048 0.000 1.181 13 M HN 0.255 nan 8.290 nan 0.000 0.840 14 V N 2.972 122.665 119.914 -0.368 0.000 2.259 14 V HA 0.197 4.317 4.120 -0.000 0.000 0.267 14 V C 0.700 176.762 176.094 -0.052 0.000 1.051 14 V CA 0.093 62.254 62.300 -0.232 0.000 0.830 14 V CB 1.069 32.729 31.823 -0.271 0.000 1.080 14 V HN 0.689 nan 8.190 nan 0.000 0.467 15 N N 2.144 120.809 118.700 -0.058 0.000 2.220 15 N HA 0.364 5.104 4.740 -0.000 0.000 0.195 15 N C 0.530 176.083 175.510 0.072 0.000 1.123 15 N CA 0.077 53.044 53.050 -0.138 0.000 0.874 15 N CB 0.890 39.329 38.487 -0.080 0.000 0.995 15 N HN 0.672 nan 8.380 nan 0.000 0.498 16 A N 0.444 123.372 122.820 0.180 0.000 2.330 16 A HA 0.396 4.716 4.320 -0.000 0.000 0.327 16 A C 1.286 178.995 177.584 0.207 0.000 1.155 16 A CA -0.723 51.398 52.037 0.141 0.000 0.803 16 A CB 0.772 19.785 19.000 0.020 0.000 1.208 16 A HN 0.040 nan 8.150 nan 0.000 0.477 17 V N 0.031 120.022 119.914 0.128 0.000 2.626 17 V HA -0.101 4.019 4.120 -0.000 0.000 0.252 17 V C 2.174 178.261 176.094 -0.012 0.000 1.067 17 V CA 2.280 64.579 62.300 -0.001 0.000 1.081 17 V CB -1.498 30.301 31.823 -0.040 0.000 0.686 17 V HN 1.036 nan 8.190 nan 0.000 0.468 18 A N -0.044 122.777 122.820 0.003 0.000 2.019 18 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 18 A C 2.224 179.806 177.584 -0.002 0.000 1.164 18 A CA 1.883 53.919 52.037 -0.001 0.000 0.644 18 A CB -0.532 18.461 19.000 -0.012 0.000 0.805 18 A HN 0.685 nan 8.150 nan 0.000 0.449 19 Q N -0.738 119.089 119.800 0.044 0.000 2.311 19 Q HA 0.059 4.399 4.340 -0.000 0.000 0.203 19 Q C 1.763 177.832 176.000 0.115 0.000 0.954 19 Q CA 0.595 56.469 55.803 0.118 0.000 0.885 19 Q CB -0.200 28.713 28.738 0.293 0.000 0.963 19 Q HN 0.744 nan 8.270 nan 0.000 0.471 20 I N 1.964 122.499 120.570 -0.059 0.000 2.069 20 I HA -0.264 3.906 4.170 -0.000 0.000 0.237 20 I C -0.644 175.242 176.117 -0.385 0.000 1.053 20 I CA 1.383 62.504 61.300 -0.300 0.000 1.311 20 I CB -1.377 36.264 38.000 -0.598 0.000 1.030 20 I HN 0.171 nan 8.210 nan 0.000 0.398 21 P HA -0.155 nan 4.420 nan 0.000 0.218 21 P C 0.747 177.951 177.300 -0.159 0.000 1.149 21 P CA 1.647 64.581 63.100 -0.275 0.000 0.817 21 P CB -0.118 31.543 31.700 -0.064 0.000 0.785 22 D N -0.493 119.820 120.400 -0.146 0.000 2.097 22 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 22 D C 1.871 178.013 176.300 -0.263 0.000 0.989 22 D CA 1.076 54.951 54.000 -0.208 0.000 0.827 22 D CB -0.971 39.663 40.800 -0.277 0.000 0.966 22 D HN 0.168 nan 8.370 nan 0.000 0.456 23 F N 0.614 120.480 119.950 -0.140 0.000 2.206 23 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 23 F C 2.350 178.058 175.800 -0.153 0.000 1.090 23 F CA 0.476 58.400 58.000 -0.126 0.000 1.323 23 F CB -0.395 38.521 39.000 -0.139 0.000 1.028 23 F HN -0.080 nan 8.300 nan 0.000 0.492 24 L N -0.410 120.771 121.223 -0.070 0.000 2.046 24 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 24 L C 2.029 178.861 176.870 -0.063 0.000 1.077 24 L CA 1.286 56.049 54.840 -0.129 0.000 0.747 24 L CB -0.733 41.179 42.059 -0.246 0.000 0.896 24 L HN 0.043 nan 8.230 nan 0.000 0.432 25 D N 0.230 120.587 120.400 -0.073 0.000 2.182 25 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 25 D C 2.332 178.607 176.300 -0.041 0.000 0.986 25 D CA 1.097 55.065 54.000 -0.054 0.000 0.847 25 D CB -0.144 40.616 40.800 -0.066 0.000 0.942 25 D HN 0.283 nan 8.370 nan 0.000 0.467 26 L N -0.850 120.347 121.223 -0.044 0.000 2.362 26 L HA 0.016 4.355 4.340 -0.000 0.000 0.219 26 L C 1.655 178.540 176.870 0.025 0.000 1.134 26 L CA 1.032 55.866 54.840 -0.010 0.000 0.807 26 L CB -0.054 42.005 42.059 0.001 0.000 0.927 26 L HN 0.238 nan 8.230 nan 0.000 0.447 27 G N -1.307 107.507 108.800 0.023 0.000 2.227 27 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.168 27 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.168 27 G C 0.293 175.217 174.900 0.039 0.000 1.006 27 G CA -0.237 44.879 45.100 0.026 0.000 0.684 27 G HN 0.395 nan 8.290 nan 0.000 0.489 28 A N 0.730 123.583 122.820 0.055 0.000 2.462 28 A HA 0.532 4.852 4.320 -0.000 0.000 0.243 28 A C 1.208 178.822 177.584 0.050 0.000 1.076 28 A CA 0.846 52.922 52.037 0.065 0.000 0.773 28 A CB 0.214 19.255 19.000 0.069 0.000 1.010 28 A HN 0.965 nan 8.150 nan 0.000 0.493 29 N N 0.539 119.297 118.700 0.097 0.000 2.236 29 N HA 0.409 5.149 4.740 -0.000 0.000 0.196 29 N C -0.165 175.570 175.510 0.375 0.000 1.114 29 N CA 0.621 53.771 53.050 0.167 0.000 0.859 29 N CB 0.321 38.830 38.487 0.036 0.000 0.982 29 N HN 0.825 nan 8.380 nan 0.000 0.493 30 A N -0.109 122.908 122.820 0.328 0.000 2.609 30 A HA 0.735 5.055 4.320 -0.000 0.000 0.291 30 A C -1.759 175.992 177.584 0.277 0.000 1.096 30 A CA -0.844 51.482 52.037 0.482 0.000 0.684 30 A CB 0.944 20.252 19.000 0.513 0.000 1.282 30 A HN 0.281 nan 8.150 nan 0.000 0.412 31 L N -1.908 119.528 121.223 0.355 0.000 2.409 31 L HA 0.918 5.258 4.340 -0.000 0.000 0.255 31 L C -0.566 176.418 176.870 0.189 0.000 1.027 31 L CA -0.498 54.427 54.840 0.142 0.000 0.834 31 L CB 1.881 43.936 42.059 -0.006 0.000 1.426 31 L HN 0.732 nan 8.230 nan 0.000 0.411 32 E N 1.016 121.248 120.200 0.053 0.000 2.199 32 E HA 0.806 5.156 4.350 -0.000 0.000 0.269 32 E C -1.698 174.879 176.600 -0.038 0.000 0.899 32 E CA -0.752 55.671 56.400 0.038 0.000 0.772 32 E CB 2.156 31.851 29.700 -0.008 0.000 1.155 32 E HN 1.059 nan 8.360 nan 0.000 0.408 33 A N 4.127 126.939 122.820 -0.013 0.000 2.401 33 A HA 0.463 4.783 4.320 -0.000 0.000 0.310 33 A C -1.038 176.474 177.584 -0.120 0.000 1.075 33 A CA -0.820 51.123 52.037 -0.156 0.000 0.746 33 A CB 1.153 19.953 19.000 -0.334 0.000 1.277 33 A HN 0.617 nan 8.150 nan 0.000 0.425 34 D N 1.945 122.256 120.400 -0.148 0.000 2.317 34 D HA 0.369 5.009 4.640 -0.000 0.000 0.234 34 D C -0.624 175.620 176.300 -0.092 0.000 1.112 34 D CA 0.105 54.050 54.000 -0.092 0.000 0.840 34 D CB 1.745 42.495 40.800 -0.083 0.000 1.078 34 D HN 0.150 nan 8.370 nan 0.000 0.486 35 V N 3.059 122.913 119.914 -0.100 0.000 2.348 35 V HA 0.174 4.294 4.120 -0.000 0.000 0.270 35 V C 1.017 176.997 176.094 -0.191 0.000 1.037 35 V CA -0.593 61.546 62.300 -0.269 0.000 0.872 35 V CB 1.068 32.597 31.823 -0.491 0.000 1.002 35 V HN 0.585 nan 8.190 nan 0.000 0.464 36 T N 2.258 116.716 114.554 -0.161 0.000 2.882 36 T HA 0.663 5.013 4.350 -0.000 0.000 0.287 36 T C -0.718 173.815 174.700 -0.279 0.000 1.014 36 T CA -0.241 61.850 62.100 -0.014 0.000 1.049 36 T CB 0.820 69.779 68.868 0.152 0.000 1.001 36 T HN 0.205 nan 8.240 nan 0.000 0.525 37 F N 0.436 120.370 119.950 -0.026 0.000 2.532 37 F HA 0.539 5.066 4.527 -0.000 0.000 0.321 37 F C 0.426 176.216 175.800 -0.017 0.000 1.089 37 F CA -1.081 56.898 58.000 -0.035 0.000 0.926 37 F CB 2.487 41.477 39.000 -0.018 0.000 1.168 37 F HN 0.563 nan 8.300 nan 0.000 0.459 38 K N 2.654 123.125 120.400 0.119 0.000 2.389 38 K HA 0.556 4.876 4.320 -0.000 0.000 0.261 38 K C 0.604 177.270 176.600 0.110 0.000 1.014 38 K CA 0.143 56.482 56.287 0.085 0.000 0.920 38 K CB 0.746 33.256 32.500 0.017 0.000 1.149 38 K HN 0.850 nan 8.250 nan 0.000 0.444 39 G N 2.396 111.259 108.800 0.104 0.000 2.634 39 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.309 39 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.309 39 G C 0.558 175.546 174.900 0.147 0.000 1.265 39 G CA 0.613 45.762 45.100 0.082 0.000 0.998 39 G HN 0.834 nan 8.290 nan 0.000 0.551 40 S N -0.674 115.101 115.700 0.125 0.000 2.631 40 S HA 0.440 4.910 4.470 -0.000 0.000 0.217 40 S C 0.570 175.366 174.600 0.327 0.000 0.958 40 S CA 0.776 59.086 58.200 0.184 0.000 0.920 40 S CB 0.390 63.637 63.200 0.077 0.000 0.776 40 S HN 1.155 nan 8.310 nan 0.000 0.517 41 V N 5.039 125.103 119.914 0.251 0.000 2.348 41 V HA 0.379 4.499 4.120 -0.000 0.000 0.270 41 V C -2.299 173.743 176.094 -0.088 0.000 1.037 41 V CA -2.221 60.144 62.300 0.109 0.000 0.872 41 V CB 0.985 32.829 31.823 0.035 0.000 1.002 41 V HN 0.265 nan 8.190 nan 0.000 0.464 42 P HA 0.188 nan 4.420 nan 0.000 0.271 42 P C 0.135 177.155 177.300 -0.467 0.000 1.226 42 P CA 0.222 62.725 63.100 -0.994 0.000 0.765 42 P CB 1.507 32.574 31.700 -1.054 0.000 0.835 43 T N 2.093 116.349 114.554 -0.496 0.000 3.138 43 T HA 0.158 4.508 4.350 -0.000 0.000 0.245 43 T C 0.044 174.508 174.700 -0.394 0.000 0.982 43 T CA 0.933 62.784 62.100 -0.416 0.000 1.134 43 T CB -0.124 68.420 68.868 -0.541 0.000 1.032 43 T HN 0.327 nan 8.240 nan 0.000 0.442 44 Y N 1.367 121.656 120.300 -0.018 0.000 2.602 44 Y HA 0.495 5.045 4.550 -0.000 0.000 0.342 44 Y C 0.152 176.068 175.900 0.028 0.000 1.029 44 Y CA -1.494 56.655 58.100 0.082 0.000 1.080 44 Y CB 1.273 39.744 38.460 0.017 0.000 1.284 44 Y HN -0.082 nan 8.280 nan 0.000 0.485 45 T N -0.411 114.303 114.554 0.267 0.000 2.733 45 T HA 0.549 4.899 4.350 -0.000 0.000 0.294 45 T C -1.321 173.497 174.700 0.197 0.000 0.956 45 T CA -0.518 61.589 62.100 0.012 0.000 0.987 45 T CB 0.273 68.854 68.868 -0.479 0.000 0.920 45 T HN 0.609 nan 8.240 nan 0.000 0.470 46 Y N 2.170 122.462 120.300 -0.014 0.000 2.457 46 Y HA 0.309 4.859 4.550 -0.000 0.000 0.322 46 Y C -0.171 175.732 175.900 0.005 0.000 1.218 46 Y CA -1.035 57.073 58.100 0.013 0.000 1.116 46 Y CB 1.005 39.441 38.460 -0.039 0.000 1.335 46 Y HN 0.736 nan 8.280 nan 0.000 0.452 47 H N 3.312 121.941 119.070 -0.735 0.000 2.368 47 H HA 0.488 5.044 4.556 -0.000 0.000 0.311 47 H C 0.648 175.467 175.328 -0.848 0.000 1.042 47 H CA 1.799 57.487 56.048 -0.600 0.000 1.377 47 H CB 0.950 30.472 29.762 -0.400 0.000 1.473 47 H HN 1.222 nan 8.280 nan 0.000 0.593 48 G N 0.679 108.940 108.800 -0.898 0.000 2.707 48 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 48 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 48 G C -0.163 174.689 174.900 -0.079 0.000 1.315 48 G CA -0.046 44.697 45.100 -0.596 0.000 0.832 48 G HN 0.656 nan 8.290 nan 0.000 0.573 49 T N 0.225 114.761 114.554 -0.029 0.000 2.913 49 T HA 0.732 5.081 4.350 -0.000 0.000 0.287 49 T C -1.360 173.341 174.700 0.001 0.000 1.008 49 T CA -0.436 61.665 62.100 0.002 0.000 1.067 49 T CB 1.565 70.432 68.868 -0.002 0.000 0.996 49 T HN 0.799 nan 8.240 nan 0.000 0.513 50 P HA 0.536 nan 4.420 nan 0.000 0.279 50 P C -0.445 176.878 177.300 0.038 0.000 1.252 50 P CA -0.629 62.462 63.100 -0.016 0.000 0.811 50 P CB 0.442 32.112 31.700 -0.050 0.000 1.035 51 c N -1.471 117.092 118.600 -0.062 0.000 3.335 51 c HA 0.501 5.071 4.570 -0.000 0.000 0.356 51 c C -0.633 173.371 174.090 -0.144 0.000 1.570 51 c CA -0.887 55.368 56.329 -0.122 0.000 1.271 51 c CB 0.731 43.028 42.510 -0.354 0.000 1.873 51 c HN 0.476 nan 8.230 nan 0.000 0.439 52 D N 0.950 121.300 120.400 -0.082 0.000 2.506 52 D HA 0.261 4.900 4.640 -0.000 0.000 0.234 52 D C -0.051 176.235 176.300 -0.023 0.000 1.143 52 D CA 0.657 54.643 54.000 -0.022 0.000 0.871 52 D CB 0.060 40.918 40.800 0.096 0.000 1.190 52 D HN 0.421 nan 8.370 nan 0.000 0.459 53 F N 0.629 120.623 119.950 0.073 0.000 2.629 53 F HA 0.205 4.732 4.527 -0.000 0.000 0.369 53 F C 2.021 177.895 175.800 0.124 0.000 1.125 53 F CA 1.309 59.358 58.000 0.082 0.000 1.330 53 F CB 0.172 39.220 39.000 0.080 0.000 1.071 53 F HN 0.553 nan 8.300 nan 0.000 0.595 54 G N 1.618 110.627 108.800 0.348 0.000 2.159 54 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.256 54 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.256 54 G C 0.075 175.121 174.900 0.242 0.000 0.977 54 G CA -0.506 44.768 45.100 0.290 0.000 0.652 54 G HN 0.492 nan 8.290 nan 0.000 0.531 55 R N 0.476 121.072 120.500 0.159 0.000 2.621 55 R HA 0.439 4.779 4.340 -0.000 0.000 0.292 55 R C -1.072 175.254 176.300 0.043 0.000 0.969 55 R CA -0.995 55.161 56.100 0.092 0.000 0.887 55 R CB 1.142 31.460 30.300 0.031 0.000 1.180 55 R HN 0.147 nan 8.270 nan 0.000 0.450 56 D N 0.860 121.287 120.400 0.044 0.000 2.389 56 D HA 0.066 4.706 4.640 -0.000 0.000 0.247 56 D C 0.633 176.921 176.300 -0.021 0.000 1.128 56 D CA 0.030 54.046 54.000 0.027 0.000 0.884 56 D CB 1.064 41.893 40.800 0.049 0.000 1.194 56 D HN 0.477 nan 8.370 nan 0.000 0.441 57 c N 1.434 120.013 118.600 -0.034 0.000 2.780 57 c HA 0.127 4.697 4.570 -0.000 0.000 0.267 57 c C 1.893 175.927 174.090 -0.093 0.000 1.266 57 c CA -0.398 55.870 56.329 -0.101 0.000 1.709 57 c CB -0.961 41.502 42.510 -0.079 0.000 1.975 57 c HN 0.649 nan 8.230 nan 0.000 0.582 58 I N -2.626 117.965 120.570 0.035 0.000 3.936 58 I HA 0.342 4.512 4.170 -0.000 0.000 0.330 58 I C 0.264 176.587 176.117 0.344 0.000 1.509 58 I CA -0.247 61.174 61.300 0.202 0.000 1.126 58 I CB -0.234 37.921 38.000 0.259 0.000 1.115 58 I HN -0.068 nan 8.210 nan 0.000 0.424 59 R N 3.180 123.810 120.500 0.217 0.000 2.694 59 R HA 0.284 4.624 4.340 -0.000 0.000 0.268 59 R C -0.772 175.743 176.300 0.358 0.000 1.061 59 R CA 0.198 56.435 56.100 0.229 0.000 1.133 59 R CB 0.536 30.898 30.300 0.102 0.000 1.020 59 R HN 0.654 nan 8.270 nan 0.000 0.475 60 W N -0.155 121.175 121.300 0.050 0.000 2.989 60 W HA 0.541 5.200 4.660 -0.000 0.000 0.344 60 W C -1.394 175.125 176.519 0.000 0.000 1.233 60 W CA -0.659 56.702 57.345 0.026 0.000 1.187 60 W CB 1.097 30.524 29.460 -0.056 0.000 1.443 60 W HN 0.462 nan 8.180 nan 0.000 0.573 61 E N 0.311 120.646 120.200 0.225 0.000 2.407 61 E HA 0.441 4.790 4.350 -0.000 0.000 0.279 61 E C -1.846 174.984 176.600 0.385 0.000 1.012 61 E CA -0.812 55.611 56.400 0.038 0.000 0.800 61 E CB 1.352 31.183 29.700 0.218 0.000 1.276 61 E HN 0.269 nan 8.360 nan 0.000 0.452 62 Y N 2.897 123.505 120.300 0.513 0.000 2.610 62 Y HA 0.060 4.610 4.550 -0.000 0.000 0.332 62 Y C 1.380 177.488 175.900 0.347 0.000 1.201 62 Y CA 0.244 58.613 58.100 0.448 0.000 1.465 62 Y CB 0.184 38.821 38.460 0.295 0.000 1.283 62 Y HN 0.637 nan 8.280 nan 0.000 0.563 63 F N 3.816 123.912 119.950 0.243 0.000 2.091 63 F HA -0.327 4.200 4.527 -0.000 0.000 0.299 63 F C 2.085 177.994 175.800 0.182 0.000 1.103 63 F CA 2.222 60.307 58.000 0.142 0.000 1.228 63 F CB -0.454 38.548 39.000 0.004 0.000 0.984 63 F HN 0.721 nan 8.300 nan 0.000 0.477 64 N N 0.752 119.491 118.700 0.065 0.000 2.104 64 N HA -0.180 4.559 4.740 -0.000 0.000 0.190 64 N C 1.779 177.278 175.510 -0.017 0.000 1.024 64 N CA 2.262 55.264 53.050 -0.079 0.000 0.853 64 N CB -1.306 37.178 38.487 -0.004 0.000 1.008 64 N HN 0.319 nan 8.380 nan 0.000 0.424 65 V N 0.429 120.416 119.914 0.122 0.000 2.427 65 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 65 V C 2.195 178.345 176.094 0.094 0.000 1.051 65 V CA 1.407 63.777 62.300 0.117 0.000 1.048 65 V CB -0.981 30.971 31.823 0.214 0.000 0.666 65 V HN 0.127 nan 8.190 nan 0.000 0.456 66 F N 0.366 120.316 119.950 0.000 0.000 2.126 66 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 66 F C 2.059 177.783 175.800 -0.127 0.000 1.096 66 F CA 1.688 59.667 58.000 -0.036 0.000 1.255 66 F CB -0.131 38.881 39.000 0.020 0.000 0.997 66 F HN 0.024 nan 8.300 nan 0.000 0.479 67 L N -0.151 121.024 121.223 -0.080 0.000 2.093 67 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 67 L C 2.404 179.226 176.870 -0.080 0.000 1.085 67 L CA 1.321 56.048 54.840 -0.188 0.000 0.755 67 L CB -0.721 41.150 42.059 -0.312 0.000 0.904 67 L HN 0.044 nan 8.230 nan 0.000 0.435 68 K N -0.418 119.937 120.400 -0.076 0.000 2.103 68 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 68 K C 2.066 178.632 176.600 -0.056 0.000 1.048 68 K CA 1.815 58.069 56.287 -0.054 0.000 0.930 68 K CB -0.293 32.180 32.500 -0.045 0.000 0.716 68 K HN 0.317 nan 8.250 nan 0.000 0.444 69 T N 2.030 116.531 114.554 -0.087 0.000 2.812 69 T HA -0.033 4.317 4.350 -0.000 0.000 0.264 69 T C 1.910 176.632 174.700 0.036 0.000 1.042 69 T CA 0.740 62.809 62.100 -0.052 0.000 1.140 69 T CB -0.132 68.671 68.868 -0.108 0.000 0.870 69 T HN 0.103 nan 8.240 nan 0.000 0.445 70 L N 0.812 121.956 121.223 -0.131 0.000 2.043 70 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 70 L C 2.868 179.878 176.870 0.234 0.000 1.075 70 L CA 1.540 56.369 54.840 -0.019 0.000 0.752 70 L CB -0.556 41.234 42.059 -0.450 0.000 0.891 70 L HN 0.217 nan 8.230 nan 0.000 0.432 71 R N 0.631 121.225 120.500 0.156 0.000 2.083 71 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 71 R C 2.111 178.388 176.300 -0.038 0.000 1.137 71 R CA 1.910 57.959 56.100 -0.085 0.000 0.951 71 R CB -0.155 30.029 30.300 -0.193 0.000 0.851 71 R HN 0.414 nan 8.270 nan 0.000 0.434 72 E N -0.547 119.633 120.200 -0.034 0.000 2.058 72 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 72 E C 1.824 178.376 176.600 -0.081 0.000 0.997 72 E CA 1.652 57.987 56.400 -0.107 0.000 0.801 72 E CB -0.244 29.330 29.700 -0.210 0.000 0.746 72 E HN 0.479 nan 8.360 nan 0.000 0.450 73 Y N 0.451 120.813 120.300 0.102 0.000 2.574 73 Y HA -0.096 4.454 4.550 -0.000 0.000 0.294 73 Y C 1.990 178.041 175.900 0.253 0.000 1.142 73 Y CA 1.330 59.546 58.100 0.192 0.000 1.314 73 Y CB 0.187 38.818 38.460 0.285 0.000 0.991 73 Y HN 0.105 nan 8.280 nan 0.000 0.555 74 T N -5.193 109.553 114.554 0.320 0.000 3.275 74 T HA 0.202 4.552 4.350 -0.000 0.000 0.298 74 T C 0.175 175.005 174.700 0.216 0.000 0.988 74 T CA -0.271 62.003 62.100 0.290 0.000 0.936 74 T CB -0.148 68.798 68.868 0.130 0.000 1.159 74 T HN -0.134 nan 8.240 nan 0.000 0.519 75 T N 4.928 119.562 114.554 0.135 0.000 2.770 75 T HA 0.476 4.826 4.350 -0.000 0.000 0.297 75 T C -2.838 171.588 174.700 -0.456 0.000 0.997 75 T CA -1.371 60.644 62.100 -0.141 0.000 0.949 75 T CB 1.363 70.145 68.868 -0.142 0.000 0.941 75 T HN 0.057 nan 8.240 nan 0.000 0.457 76 P HA 0.218 nan 4.420 nan 0.000 0.266 76 P C 1.145 178.093 177.300 -0.585 0.000 1.195 76 P CA 0.844 63.123 63.100 -1.369 0.000 0.768 76 P CB 0.419 31.578 31.700 -0.902 0.000 0.838 77 G N 1.574 110.130 108.800 -0.407 0.000 2.225 77 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.254 77 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.254 77 G C 0.526 175.363 174.900 -0.106 0.000 0.988 77 G CA -0.224 44.772 45.100 -0.174 0.000 0.625 77 G HN 0.692 nan 8.290 nan 0.000 0.527 78 N N 1.058 119.696 118.700 -0.104 0.000 2.508 78 N HA 0.417 5.157 4.740 -0.000 0.000 0.264 78 N C 1.745 177.249 175.510 -0.009 0.000 1.216 78 N CA 0.694 53.712 53.050 -0.055 0.000 0.943 78 N CB 1.073 39.524 38.487 -0.061 0.000 1.113 78 N HN 0.498 nan 8.380 nan 0.000 0.447 79 A N 4.335 127.128 122.820 -0.045 0.000 1.948 79 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 79 A C 1.847 179.400 177.584 -0.052 0.000 1.177 79 A CA 1.510 53.524 52.037 -0.038 0.000 0.636 79 A CB -0.191 18.776 19.000 -0.055 0.000 0.815 79 A HN 0.814 nan 8.150 nan 0.000 0.449 80 K N -1.803 118.513 120.400 -0.140 0.000 2.459 80 K HA 0.030 4.349 4.320 -0.000 0.000 0.193 80 K C 0.004 176.537 176.600 -0.111 0.000 1.030 80 K CA -0.260 55.848 56.287 -0.297 0.000 1.026 80 K CB -0.065 31.951 32.500 -0.807 0.000 0.809 80 K HN 0.546 nan 8.250 nan 0.000 0.504 81 Y N 2.792 123.034 120.300 -0.096 0.000 2.805 81 Y HA -0.124 4.426 4.550 -0.000 0.000 0.331 81 Y C -0.318 175.637 175.900 0.091 0.000 1.241 81 Y CA 0.045 58.147 58.100 0.003 0.000 1.546 81 Y CB 0.381 38.826 38.460 -0.026 0.000 1.248 81 Y HN -0.144 nan 8.280 nan 0.000 0.559 82 R N 6.095 126.326 120.500 -0.449 0.000 2.371 82 R HA 0.095 4.435 4.340 -0.000 0.000 0.312 82 R C 0.357 176.256 176.300 -0.669 0.000 0.980 82 R CA -0.355 55.526 56.100 -0.365 0.000 0.867 82 R CB 0.891 31.230 30.300 0.065 0.000 1.163 82 R HN 0.863 nan 8.270 nan 0.000 0.492 83 D N 1.548 121.475 120.400 -0.788 0.000 2.350 83 D HA -0.083 4.557 4.640 -0.000 0.000 0.216 83 D C 1.242 177.478 176.300 -0.107 0.000 0.968 83 D CA 0.791 54.500 54.000 -0.484 0.000 0.894 83 D CB 0.087 40.789 40.800 -0.165 0.000 0.909 83 D HN 0.621 nan 8.370 nan 0.000 0.520 84 G N -0.787 107.984 108.800 -0.049 0.000 2.880 84 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.209 84 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.209 84 G C -0.132 174.883 174.900 0.191 0.000 1.157 84 G CA -0.389 44.746 45.100 0.058 0.000 0.779 84 G HN 0.230 nan 8.290 nan 0.000 0.539 85 F N 2.663 122.619 119.950 0.010 0.000 2.350 85 F HA 0.455 4.982 4.527 -0.000 0.000 0.365 85 F C 0.936 176.858 175.800 0.203 0.000 1.122 85 F CA -2.747 55.310 58.000 0.094 0.000 1.139 85 F CB 0.572 39.614 39.000 0.070 0.000 1.220 85 F HN 0.120 nan 8.300 nan 0.000 0.499 86 I N 3.837 124.633 120.570 0.377 0.000 4.288 86 I HA 0.436 4.606 4.170 -0.000 0.000 0.331 86 I C -0.983 175.358 176.117 0.373 0.000 1.322 86 I CA 0.003 61.526 61.300 0.372 0.000 1.149 86 I CB 0.718 38.968 38.000 0.415 0.000 1.112 86 I HN 0.414 nan 8.210 nan 0.000 0.403 87 L N 1.875 123.283 121.223 0.309 0.000 2.591 87 L HA 0.554 4.894 4.340 -0.000 0.000 0.257 87 L C -1.917 175.134 176.870 0.301 0.000 0.935 87 L CA -0.650 54.309 54.840 0.197 0.000 0.873 87 L CB 2.342 44.529 42.059 0.214 0.000 1.397 87 L HN 0.221 nan 8.230 nan 0.000 0.414 88 F N 2.438 122.408 119.950 0.033 0.000 2.588 88 F HA 0.871 5.398 4.527 -0.000 0.000 0.314 88 F C -1.423 174.351 175.800 -0.044 0.000 1.069 88 F CA -1.188 56.865 58.000 0.088 0.000 0.931 88 F CB 1.540 40.638 39.000 0.163 0.000 1.260 88 F HN 0.077 nan 8.300 nan 0.000 0.465 89 V N 3.651 123.643 119.914 0.130 0.000 2.398 89 V HA 0.367 4.486 4.120 -0.000 0.000 0.286 89 V C -0.201 175.974 176.094 0.136 0.000 1.026 89 V CA -0.756 61.537 62.300 -0.012 0.000 0.868 89 V CB 1.657 33.456 31.823 -0.041 0.000 0.982 89 V HN 0.700 nan 8.190 nan 0.000 0.443 90 L N 4.202 125.493 121.223 0.113 0.000 2.259 90 L HA 0.394 4.734 4.340 -0.000 0.000 0.288 90 L C -0.005 176.903 176.870 0.063 0.000 1.051 90 L CA -0.395 54.536 54.840 0.152 0.000 0.824 90 L CB 0.928 43.130 42.059 0.238 0.000 1.206 90 L HN 0.580 nan 8.230 nan 0.000 0.429 91 D N 5.152 125.567 120.400 0.025 0.000 2.402 91 D HA 0.224 4.863 4.640 -0.000 0.000 0.235 91 D C -0.393 175.913 176.300 0.011 0.000 1.226 91 D CA -0.085 53.910 54.000 -0.009 0.000 0.918 91 D CB 0.416 41.177 40.800 -0.064 0.000 1.043 91 D HN 0.271 nan 8.370 nan 0.000 0.506 92 L N 4.401 125.633 121.223 0.015 0.000 2.278 92 L HA 0.255 4.594 4.340 -0.000 0.000 0.287 92 L C 1.070 177.986 176.870 0.077 0.000 1.072 92 L CA -0.521 54.387 54.840 0.112 0.000 0.819 92 L CB 0.868 42.920 42.059 -0.010 0.000 1.176 92 L HN -0.043 nan 8.230 nan 0.000 0.435 93 K N 2.646 123.189 120.400 0.237 0.000 2.502 93 K HA 0.120 4.440 4.320 -0.000 0.000 0.244 93 K C 1.009 177.630 176.600 0.034 0.000 1.249 93 K CA -0.032 56.330 56.287 0.125 0.000 1.193 93 K CB 0.001 32.583 32.500 0.136 0.000 1.674 93 K HN 0.647 nan 8.250 nan 0.000 0.302 94 T N -3.721 110.725 114.554 -0.180 0.000 3.122 94 T HA 0.044 4.393 4.350 -0.000 0.000 0.250 94 T C 1.802 176.487 174.700 -0.026 0.000 1.067 94 T CA 0.196 62.102 62.100 -0.322 0.000 0.966 94 T CB 0.370 69.017 68.868 -0.367 0.000 1.002 94 T HN 0.333 nan 8.240 nan 0.000 0.542 95 G N 1.760 110.542 108.800 -0.029 0.000 2.475 95 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.220 95 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.220 95 G C 1.499 176.407 174.900 0.013 0.000 1.125 95 G CA 0.890 45.976 45.100 -0.023 0.000 0.755 95 G HN 0.583 nan 8.290 nan 0.000 0.565 96 S N -0.130 115.573 115.700 0.005 0.000 2.557 96 S HA 0.350 4.820 4.470 -0.000 0.000 0.223 96 S C 0.708 175.302 174.600 -0.010 0.000 0.969 96 S CA -0.527 57.675 58.200 0.003 0.000 0.927 96 S CB 0.145 63.349 63.200 0.007 0.000 0.806 96 S HN 0.208 nan 8.310 nan 0.000 0.489 97 L N 2.839 124.041 121.223 -0.035 0.000 2.461 97 L HA 0.182 4.522 4.340 -0.000 0.000 0.272 97 L C 0.961 177.785 176.870 -0.078 0.000 1.197 97 L CA -0.469 54.314 54.840 -0.095 0.000 0.836 97 L CB 0.464 42.386 42.059 -0.229 0.000 1.105 97 L HN 0.232 nan 8.230 nan 0.000 0.477 98 S N 1.098 116.752 115.700 -0.076 0.000 2.593 98 S HA 0.096 4.566 4.470 -0.000 0.000 0.269 98 S C 0.825 175.356 174.600 -0.114 0.000 1.334 98 S CA -0.466 57.693 58.200 -0.068 0.000 1.015 98 S CB 0.631 63.801 63.200 -0.050 0.000 0.912 98 S HN 0.701 nan 8.310 nan 0.000 0.541 99 N N 1.186 119.828 118.700 -0.096 0.000 2.069 99 N HA -0.194 4.546 4.740 -0.000 0.000 0.196 99 N C 0.712 176.138 175.510 -0.140 0.000 1.024 99 N CA 1.840 54.812 53.050 -0.128 0.000 0.869 99 N CB -0.330 38.105 38.487 -0.087 0.000 1.035 99 N HN 0.654 nan 8.380 nan 0.000 0.434 100 D N 0.406 120.749 120.400 -0.096 0.000 2.309 100 D HA -0.098 4.542 4.640 -0.000 0.000 0.212 100 D C 1.454 177.703 176.300 -0.085 0.000 0.968 100 D CA 0.895 54.847 54.000 -0.078 0.000 0.882 100 D CB -0.069 40.701 40.800 -0.051 0.000 0.918 100 D HN 0.428 nan 8.370 nan 0.000 0.503 101 Q N -0.419 119.317 119.800 -0.107 0.000 2.408 101 Q HA 0.051 4.391 4.340 -0.000 0.000 0.205 101 Q C 2.023 177.937 176.000 -0.143 0.000 0.919 101 Q CA 0.001 55.744 55.803 -0.100 0.000 0.932 101 Q CB 0.771 29.457 28.738 -0.088 0.000 1.058 101 Q HN 0.130 nan 8.270 nan 0.000 0.517 102 V N 0.758 120.540 119.914 -0.220 0.000 2.307 102 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 102 V C 2.280 178.291 176.094 -0.138 0.000 1.045 102 V CA 1.858 63.993 62.300 -0.276 0.000 1.024 102 V CB -0.446 31.083 31.823 -0.490 0.000 0.651 102 V HN 0.296 nan 8.190 nan 0.000 0.449 103 R N 0.233 120.654 120.500 -0.131 0.000 2.070 103 R HA -0.126 4.214 4.340 -0.000 0.000 0.233 103 R C -0.020 176.219 176.300 -0.101 0.000 1.137 103 R CA 1.875 57.917 56.100 -0.098 0.000 0.945 103 R CB -1.319 28.940 30.300 -0.068 0.000 0.845 103 R HN 0.420 nan 8.270 nan 0.000 0.430 104 P HA -0.126 nan 4.420 nan 0.000 0.216 104 P C 0.775 178.057 177.300 -0.030 0.000 1.150 104 P CA 1.915 64.990 63.100 -0.041 0.000 0.843 104 P CB -0.096 31.593 31.700 -0.018 0.000 0.787 105 A N -0.113 122.692 122.820 -0.024 0.000 1.902 105 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 105 A C 2.524 180.007 177.584 -0.168 0.000 1.181 105 A CA 2.143 54.239 52.037 0.098 0.000 0.623 105 A CB -1.906 17.134 19.000 0.067 0.000 0.818 105 A HN 0.276 nan 8.150 nan 0.000 0.443 106 G N -0.420 107.928 108.800 -0.752 0.000 2.446 106 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 106 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 106 G C 1.412 176.083 174.900 -0.382 0.000 1.168 106 G CA 1.061 45.313 45.100 -1.413 0.000 0.771 106 G HN 0.663 nan 8.290 nan 0.000 0.551 107 E N 0.608 120.693 120.200 -0.191 0.000 2.085 107 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 107 E C 2.499 179.085 176.600 -0.024 0.000 0.994 107 E CA 1.050 57.403 56.400 -0.080 0.000 0.801 107 E CB -0.087 29.585 29.700 -0.047 0.000 0.743 107 E HN 0.280 nan 8.360 nan 0.000 0.453 108 N N 0.346 119.060 118.700 0.024 0.000 2.120 108 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 108 N C 1.904 177.530 175.510 0.192 0.000 1.024 108 N CA 0.786 53.899 53.050 0.105 0.000 0.852 108 N CB -0.340 38.231 38.487 0.141 0.000 1.003 108 N HN 0.003 nan 8.380 nan 0.000 0.424 109 V N 1.459 121.534 119.914 0.267 0.000 2.358 109 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 109 V C 2.372 178.709 176.094 0.404 0.000 1.047 109 V CA 1.677 64.265 62.300 0.480 0.000 1.035 109 V CB -0.937 31.293 31.823 0.678 0.000 0.658 109 V HN 0.284 nan 8.190 nan 0.000 0.452 110 A N -0.053 122.866 122.820 0.166 0.000 1.883 110 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 110 A C 2.287 179.856 177.584 -0.026 0.000 1.186 110 A CA 2.087 53.955 52.037 -0.281 0.000 0.624 110 A CB -0.459 18.074 19.000 -0.779 0.000 0.822 110 A HN 0.543 nan 8.150 nan 0.000 0.444 111 K N -0.547 119.865 120.400 0.019 0.000 2.057 111 K HA -0.140 4.179 4.320 -0.000 0.000 0.207 111 K C 2.020 178.668 176.600 0.079 0.000 1.049 111 K CA 1.338 57.655 56.287 0.050 0.000 0.931 111 K CB -0.156 32.372 32.500 0.046 0.000 0.714 111 K HN 0.437 nan 8.250 nan 0.000 0.440 112 E N 1.034 121.305 120.200 0.118 0.000 2.051 112 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 112 E C 2.164 178.770 176.600 0.010 0.000 0.991 112 E CA 1.060 57.506 56.400 0.076 0.000 0.799 112 E CB -0.156 29.659 29.700 0.191 0.000 0.748 112 E HN 0.289 nan 8.360 nan 0.000 0.449 113 L N 0.346 121.606 121.223 0.061 0.000 2.056 113 L HA -0.195 4.144 4.340 -0.000 0.000 0.207 113 L C 2.633 179.563 176.870 0.100 0.000 1.078 113 L CA 0.500 55.310 54.840 -0.051 0.000 0.749 113 L CB -0.361 41.605 42.059 -0.155 0.000 0.901 113 L HN 0.140 nan 8.230 nan 0.000 0.433 114 L N -0.135 121.250 121.223 0.269 0.000 2.012 114 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 114 L C 2.600 179.554 176.870 0.141 0.000 1.073 114 L CA 1.937 56.965 54.840 0.313 0.000 0.748 114 L CB -0.585 41.578 42.059 0.173 0.000 0.891 114 L HN 0.308 nan 8.230 nan 0.000 0.431 115 Q N -1.360 118.485 119.800 0.075 0.000 2.049 115 Q HA -0.160 4.179 4.340 -0.000 0.000 0.198 115 Q C 1.576 177.581 176.000 0.008 0.000 0.971 115 Q CA 1.740 57.562 55.803 0.031 0.000 0.833 115 Q CB 0.030 28.780 28.738 0.021 0.000 0.896 115 Q HN 0.584 nan 8.270 nan 0.000 0.434 116 N N -1.189 117.507 118.700 -0.007 0.000 2.414 116 N HA -0.032 4.707 4.740 -0.000 0.000 0.177 116 N C 0.945 176.436 175.510 -0.032 0.000 1.062 116 N CA 0.461 53.488 53.050 -0.037 0.000 0.890 116 N CB 0.234 38.674 38.487 -0.077 0.000 1.070 116 N HN 0.268 nan 8.380 nan 0.000 0.454 117 Y N -0.433 119.761 120.300 -0.177 0.000 2.382 117 Y HA 0.138 4.688 4.550 -0.000 0.000 0.292 117 Y C 1.363 177.177 175.900 -0.143 0.000 1.151 117 Y CA 0.773 58.720 58.100 -0.255 0.000 1.198 117 Y CB -0.123 38.054 38.460 -0.472 0.000 1.195 117 Y HN -0.072 nan 8.280 nan 0.000 0.530 118 W N 1.105 122.357 121.300 -0.080 0.000 3.197 118 W HA 0.150 4.810 4.660 -0.000 0.000 0.274 118 W C 0.630 177.035 176.519 -0.190 0.000 1.297 118 W CA 0.638 57.874 57.345 -0.182 0.000 1.662 118 W CB -1.248 28.182 29.460 -0.050 0.000 1.106 118 W HN 0.274 nan 8.180 nan 0.000 0.663 119 N N 1.777 120.503 118.700 0.044 0.000 2.707 119 N HA -0.325 4.415 4.740 -0.000 0.000 0.253 119 N C -0.264 175.224 175.510 -0.037 0.000 0.998 119 N CA 1.536 54.578 53.050 -0.013 0.000 0.751 119 N CB -1.776 36.682 38.487 -0.048 0.000 0.920 119 N HN 0.374 nan 8.380 nan 0.000 0.539 120 N N -1.732 116.924 118.700 -0.075 0.000 2.725 120 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 120 N C 0.942 176.212 175.510 -0.401 0.000 1.103 120 N CA 1.381 54.259 53.050 -0.286 0.000 0.707 120 N CB -1.307 37.135 38.487 -0.075 0.000 1.043 120 N HN 0.905 nan 8.380 nan 0.000 0.553 121 G N -1.110 107.517 108.800 -0.287 0.000 2.205 121 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.261 121 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.261 121 G C -0.176 174.695 174.900 -0.048 0.000 0.980 121 G CA 0.387 45.400 45.100 -0.145 0.000 0.632 121 G HN 0.641 nan 8.290 nan 0.000 0.533 122 N N 1.167 119.841 118.700 -0.044 0.000 2.719 122 N HA 0.414 5.154 4.740 -0.000 0.000 0.243 122 N C 0.514 175.995 175.510 -0.047 0.000 1.104 122 N CA 0.252 53.284 53.050 -0.031 0.000 0.981 122 N CB 0.232 38.706 38.487 -0.021 0.000 1.290 122 N HN 0.459 nan 8.380 nan 0.000 0.513 123 N N 0.865 119.533 118.700 -0.053 0.000 2.727 123 N HA -0.158 4.582 4.740 -0.000 0.000 0.251 123 N C -0.101 175.351 175.510 -0.096 0.000 1.040 123 N CA 0.021 53.026 53.050 -0.076 0.000 0.712 123 N CB -0.628 37.812 38.487 -0.079 0.000 0.912 123 N HN 0.657 nan 8.380 nan 0.000 0.545 124 G N -0.327 108.426 108.800 -0.079 0.000 2.588 124 G HA2 0.564 4.524 3.960 -0.000 0.000 0.281 124 G HA3 0.564 4.524 3.960 -0.000 0.000 0.281 124 G C 0.595 175.369 174.900 -0.210 0.000 1.236 124 G CA 0.074 45.102 45.100 -0.121 0.000 0.969 124 G HN 0.363 nan 8.290 nan 0.000 0.504 125 G N -1.536 106.934 108.800 -0.549 0.000 2.491 125 G HA2 0.391 4.351 3.960 -0.000 0.000 0.242 125 G HA3 0.391 4.351 3.960 -0.000 0.000 0.242 125 G C 0.900 175.731 174.900 -0.115 0.000 1.266 125 G CA -0.193 44.580 45.100 -0.545 0.000 0.844 125 G HN 0.792 nan 8.290 nan 0.000 0.571 126 R N 0.708 121.240 120.500 0.054 0.000 2.308 126 R HA 0.486 4.826 4.340 -0.000 0.000 0.202 126 R C 1.055 177.476 176.300 0.202 0.000 0.898 126 R CA 0.376 56.536 56.100 0.101 0.000 1.046 126 R CB 0.175 30.423 30.300 -0.087 0.000 1.026 126 R HN 0.483 nan 8.270 nan 0.000 0.512 127 A N 1.301 124.288 122.820 0.278 0.000 2.425 127 A HA 0.206 4.526 4.320 -0.000 0.000 0.242 127 A C -0.890 176.764 177.584 0.116 0.000 1.077 127 A CA -0.279 51.888 52.037 0.217 0.000 0.781 127 A CB -0.068 18.961 19.000 0.048 0.000 1.020 127 A HN 0.317 nan 8.150 nan 0.000 0.494 128 Y N -0.034 120.294 120.300 0.047 0.000 2.326 128 Y HA 0.409 4.959 4.550 -0.000 0.000 0.333 128 Y C 0.443 176.077 175.900 -0.442 0.000 1.240 128 Y CA 0.067 58.115 58.100 -0.088 0.000 1.365 128 Y CB 1.084 39.351 38.460 -0.321 0.000 1.289 128 Y HN 0.366 nan 8.280 nan 0.000 0.548 129 V N 3.090 122.873 119.914 -0.217 0.000 2.540 129 V HA 0.403 4.523 4.120 -0.000 0.000 0.302 129 V C -0.736 175.151 176.094 -0.347 0.000 1.035 129 V CA -1.018 60.872 62.300 -0.684 0.000 0.873 129 V CB 1.554 33.029 31.823 -0.581 0.000 0.992 129 V HN 0.456 nan 8.190 nan 0.000 0.428 130 V N 5.820 125.469 119.914 -0.443 0.000 2.370 130 V HA 0.397 4.517 4.120 -0.000 0.000 0.283 130 V C -0.016 175.934 176.094 -0.241 0.000 1.023 130 V CA -0.466 61.590 62.300 -0.407 0.000 0.857 130 V CB 1.565 33.032 31.823 -0.593 0.000 0.985 130 V HN 0.672 nan 8.190 nan 0.000 0.443 131 L N 4.397 125.484 121.223 -0.225 0.000 2.342 131 L HA 0.359 4.699 4.340 -0.000 0.000 0.285 131 L C 0.572 177.471 176.870 0.048 0.000 1.095 131 L CA 0.390 55.188 54.840 -0.071 0.000 0.843 131 L CB 1.032 43.053 42.059 -0.064 0.000 1.201 131 L HN 0.643 nan 8.230 nan 0.000 0.445 132 S N 5.364 121.089 115.700 0.042 0.000 2.438 132 S HA 0.648 5.118 4.470 -0.000 0.000 0.316 132 S C -0.555 174.056 174.600 0.018 0.000 1.084 132 S CA -0.573 57.700 58.200 0.122 0.000 1.107 132 S CB 0.415 63.700 63.200 0.142 0.000 0.981 132 S HN 0.447 nan 8.310 nan 0.000 0.466 133 L N 7.037 128.283 121.223 0.038 0.000 2.346 133 L HA 0.559 4.899 4.340 -0.000 0.000 0.276 133 L C -1.691 175.118 176.870 -0.101 0.000 1.006 133 L CA -2.047 52.700 54.840 -0.155 0.000 0.817 133 L CB 2.537 44.382 42.059 -0.357 0.000 1.272 133 L HN 0.502 nan 8.230 nan 0.000 0.421 134 P HA 0.099 nan 4.420 nan 0.000 0.261 134 P C -0.748 176.407 177.300 -0.241 0.000 1.352 134 P CA 0.274 63.307 63.100 -0.111 0.000 0.891 134 P CB 0.531 32.192 31.700 -0.065 0.000 1.383 135 D N 0.677 120.833 120.400 -0.406 0.000 2.763 135 D HA 0.108 4.748 4.640 -0.000 0.000 0.235 135 D C 1.255 177.309 176.300 -0.410 0.000 1.334 135 D CA -0.486 53.209 54.000 -0.508 0.000 0.950 135 D CB 1.619 41.784 40.800 -1.058 0.000 1.433 135 D HN -0.078 nan 8.370 nan 0.000 0.580 136 I N 0.763 121.194 120.570 -0.232 0.000 2.756 136 I HA 0.126 4.296 4.170 -0.000 0.000 0.262 136 I C 1.593 177.665 176.117 -0.076 0.000 1.225 136 I CA 0.872 62.087 61.300 -0.142 0.000 1.472 136 I CB 0.027 38.009 38.000 -0.030 0.000 1.094 136 I HN 0.331 nan 8.210 nan 0.000 0.454 137 G N -0.146 108.595 108.800 -0.097 0.000 2.848 137 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.208 137 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.208 137 G C 0.997 175.830 174.900 -0.112 0.000 1.152 137 G CA 0.057 45.155 45.100 -0.003 0.000 0.789 137 G HN 0.651 nan 8.290 nan 0.000 0.531 138 H N -0.317 118.524 119.070 -0.382 0.000 2.610 138 H HA 0.082 4.638 4.556 -0.000 0.000 0.302 138 H C 1.510 176.550 175.328 -0.480 0.000 1.063 138 H CA -0.418 55.361 56.048 -0.448 0.000 1.159 138 H CB 0.151 29.672 29.762 -0.402 0.000 1.427 138 H HN 0.655 nan 8.280 nan 0.000 0.553 139 Y N -0.190 119.985 120.300 -0.209 0.000 2.403 139 Y HA -0.111 4.439 4.550 -0.000 0.000 0.291 139 Y C 1.798 177.726 175.900 0.046 0.000 1.143 139 Y CA 0.333 58.360 58.100 -0.122 0.000 1.257 139 Y CB -0.208 38.277 38.460 0.041 0.000 0.984 139 Y HN 0.064 nan 8.280 nan 0.000 0.550 140 E N 0.587 120.618 120.200 -0.283 0.000 2.204 140 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 140 E C 1.872 178.498 176.600 0.043 0.000 0.990 140 E CA 1.045 57.400 56.400 -0.076 0.000 0.821 140 E CB -0.615 28.957 29.700 -0.214 0.000 0.750 140 E HN 0.664 nan 8.360 nan 0.000 0.477 141 F N 1.399 121.279 119.950 -0.117 0.000 2.063 141 F HA -0.311 4.216 4.527 -0.000 0.000 0.298 141 F C 2.248 178.142 175.800 0.157 0.000 1.109 141 F CA 1.519 59.509 58.000 -0.017 0.000 1.212 141 F CB -0.155 38.794 39.000 -0.086 0.000 0.973 141 F HN -0.183 nan 8.300 nan 0.000 0.480 142 V N 1.028 121.240 119.914 0.497 0.000 2.427 142 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 142 V C 2.413 178.712 176.094 0.342 0.000 1.051 142 V CA 2.092 64.682 62.300 0.484 0.000 1.048 142 V CB -0.691 31.436 31.823 0.507 0.000 0.666 142 V HN 0.309 nan 8.190 nan 0.000 0.456 143 R N 0.319 120.972 120.500 0.255 0.000 2.083 143 R HA -0.130 4.210 4.340 -0.000 0.000 0.237 143 R C 2.487 178.872 176.300 0.142 0.000 1.137 143 R CA 1.645 57.855 56.100 0.183 0.000 0.951 143 R CB -0.950 29.450 30.300 0.167 0.000 0.851 143 R HN 0.576 nan 8.270 nan 0.000 0.434 144 G N 0.647 109.504 108.800 0.094 0.000 2.402 144 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 144 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 144 G C 1.284 176.221 174.900 0.061 0.000 1.162 144 G CA 0.286 45.406 45.100 0.034 0.000 0.777 144 G HN 0.262 nan 8.290 nan 0.000 0.539 145 F N 1.479 121.389 119.950 -0.067 0.000 2.069 145 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 145 F C 2.754 178.618 175.800 0.106 0.000 1.113 145 F CA 2.012 60.015 58.000 0.006 0.000 1.214 145 F CB -0.040 39.007 39.000 0.078 0.000 0.978 145 F HN 0.027 nan 8.300 nan 0.000 0.474 146 K N 0.085 120.742 120.400 0.427 0.000 2.063 146 K HA -0.265 4.055 4.320 -0.000 0.000 0.208 146 K C 2.154 178.814 176.600 0.101 0.000 1.048 146 K CA 1.834 58.286 56.287 0.276 0.000 0.928 146 K CB -0.420 32.236 32.500 0.259 0.000 0.713 146 K HN 0.451 nan 8.250 nan 0.000 0.442 147 E N 0.812 121.059 120.200 0.078 0.000 2.085 147 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 147 E C 1.903 178.504 176.600 0.000 0.000 0.994 147 E CA 1.268 57.689 56.400 0.034 0.000 0.801 147 E CB 0.116 29.834 29.700 0.031 0.000 0.743 147 E HN 0.046 nan 8.360 nan 0.000 0.453 148 V N 0.881 120.776 119.914 -0.032 0.000 2.343 148 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 148 V C 2.411 178.478 176.094 -0.045 0.000 1.051 148 V CA 1.313 63.582 62.300 -0.053 0.000 1.036 148 V CB -0.395 31.369 31.823 -0.098 0.000 0.654 148 V HN 0.280 nan 8.190 nan 0.000 0.451 149 L N -0.370 120.805 121.223 -0.081 0.000 2.046 149 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 149 L C 2.354 179.227 176.870 0.004 0.000 1.077 149 L CA 1.883 56.702 54.840 -0.035 0.000 0.747 149 L CB -0.782 41.238 42.059 -0.065 0.000 0.896 149 L HN 0.269 nan 8.230 nan 0.000 0.432 150 K N -0.590 119.811 120.400 0.001 0.000 2.001 150 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 150 K C 2.140 178.726 176.600 -0.024 0.000 1.048 150 K CA 1.476 57.758 56.287 -0.007 0.000 0.932 150 K CB -0.208 32.297 32.500 0.007 0.000 0.715 150 K HN 0.092 nan 8.250 nan 0.000 0.437 151 K N 1.092 121.484 120.400 -0.014 0.000 2.152 151 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 151 K C 1.387 177.972 176.600 -0.025 0.000 1.048 151 K CA 1.341 57.618 56.287 -0.016 0.000 0.933 151 K CB 0.224 32.720 32.500 -0.007 0.000 0.721 151 K HN 0.032 nan 8.250 nan 0.000 0.447 152 E N -0.771 119.421 120.200 -0.013 0.000 2.489 152 E HA 0.043 4.392 4.350 -0.000 0.000 0.193 152 E C 0.663 177.163 176.600 -0.167 0.000 1.057 152 E CA 0.719 57.122 56.400 0.004 0.000 0.866 152 E CB 0.761 30.545 29.700 0.139 0.000 0.916 152 E HN 0.547 nan 8.360 nan 0.000 0.500 153 G N 1.952 110.624 108.800 -0.212 0.000 2.149 153 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.235 153 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.235 153 G C 0.227 174.780 174.900 -0.578 0.000 1.018 153 G CA 0.079 44.965 45.100 -0.357 0.000 0.728 153 G HN 0.357 nan 8.290 nan 0.000 0.508 154 H N -0.670 118.367 119.070 -0.056 0.000 2.562 154 H HA 0.243 4.799 4.556 -0.000 0.000 0.249 154 H C 1.438 176.698 175.328 -0.112 0.000 1.195 154 H CA 0.132 56.123 56.048 -0.095 0.000 0.938 154 H CB 0.410 30.104 29.762 -0.113 0.000 1.891 154 H HN 0.633 nan 8.280 nan 0.000 0.595 155 E N 1.364 121.558 120.200 -0.009 0.000 2.171 155 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 155 E C 1.396 177.996 176.600 -0.000 0.000 0.997 155 E CA 1.522 57.923 56.400 0.002 0.000 0.810 155 E CB 0.375 30.076 29.700 0.002 0.000 0.738 155 E HN 0.507 nan 8.360 nan 0.000 0.467 156 D N 0.322 120.714 120.400 -0.013 0.000 2.310 156 D HA -0.185 4.455 4.640 -0.000 0.000 0.212 156 D C 1.938 178.200 176.300 -0.064 0.000 0.965 156 D CA 0.489 54.483 54.000 -0.008 0.000 0.879 156 D CB -0.467 40.332 40.800 -0.002 0.000 0.921 156 D HN 0.336 nan 8.370 nan 0.000 0.510 157 L N -0.011 121.096 121.223 -0.193 0.000 2.265 157 L HA -0.061 4.279 4.340 -0.000 0.000 0.215 157 L C 2.525 179.263 176.870 -0.219 0.000 1.117 157 L CA 0.384 54.935 54.840 -0.481 0.000 0.782 157 L CB -0.352 41.070 42.059 -1.063 0.000 0.914 157 L HN 0.020 nan 8.230 nan 0.000 0.441 158 L N -0.391 120.829 121.223 -0.005 0.000 2.349 158 L HA -0.203 4.137 4.340 -0.000 0.000 0.220 158 L C 2.267 179.304 176.870 0.280 0.000 1.130 158 L CA 0.950 55.896 54.840 0.177 0.000 0.791 158 L CB -0.505 41.657 42.059 0.172 0.000 0.918 158 L HN 0.342 nan 8.230 nan 0.000 0.444 159 E N 0.071 120.431 120.200 0.267 0.000 2.267 159 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 159 E C 1.402 178.361 176.600 0.597 0.000 0.998 159 E CA 0.718 57.378 56.400 0.434 0.000 0.830 159 E CB 0.133 29.992 29.700 0.265 0.000 0.751 159 E HN 0.295 nan 8.360 nan 0.000 0.491 160 K N 0.188 120.849 120.400 0.436 0.000 2.358 160 K HA 0.168 4.488 4.320 -0.000 0.000 0.197 160 K C -0.171 176.843 176.600 0.691 0.000 1.025 160 K CA 0.081 56.651 56.287 0.472 0.000 1.104 160 K CB 1.033 33.709 32.500 0.294 0.000 0.855 160 K HN -0.082 nan 8.250 nan 0.000 0.531 161 V N 0.389 120.607 119.914 0.506 0.000 2.495 161 V HA 0.672 4.791 4.120 -0.000 0.000 0.298 161 V C 0.421 176.139 176.094 -0.627 0.000 1.031 161 V CA -0.946 61.405 62.300 0.086 0.000 0.871 161 V CB 1.750 33.641 31.823 0.114 0.000 0.988 161 V HN 0.265 nan 8.190 nan 0.000 0.432 162 G N 2.767 110.932 108.800 -1.058 0.000 2.816 162 G HA2 0.784 4.744 3.960 -0.000 0.000 0.288 162 G HA3 0.784 4.744 3.960 -0.000 0.000 0.288 162 G C -2.113 172.006 174.900 -1.302 0.000 1.334 162 G CA -0.571 43.551 45.100 -1.630 0.000 0.978 162 G HN 0.459 nan 8.290 nan 0.000 0.493 163 Y N -0.673 119.432 120.300 -0.325 0.000 2.470 163 Y HA 0.512 5.062 4.550 -0.000 0.000 0.341 163 Y C -1.110 174.845 175.900 0.091 0.000 1.021 163 Y CA -1.127 56.923 58.100 -0.083 0.000 1.025 163 Y CB 2.989 41.338 38.460 -0.185 0.000 1.266 163 Y HN 0.458 nan 8.280 nan 0.000 0.448 164 D N 2.611 123.273 120.400 0.437 0.000 2.402 164 D HA 0.308 4.948 4.640 -0.000 0.000 0.252 164 D C -1.772 174.899 176.300 0.620 0.000 1.294 164 D CA -0.358 53.955 54.000 0.521 0.000 0.948 164 D CB 0.510 41.613 40.800 0.505 0.000 1.202 164 D HN 0.162 nan 8.370 nan 0.000 0.561 165 F N 1.815 121.948 119.950 0.305 0.000 2.420 165 F HA 0.579 5.105 4.527 -0.000 0.000 0.342 165 F C 1.055 176.859 175.800 0.006 0.000 1.113 165 F CA -1.142 56.866 58.000 0.014 0.000 1.059 165 F CB 1.437 40.266 39.000 -0.286 0.000 1.128 165 F HN 0.238 nan 8.300 nan 0.000 0.475 166 S N 0.303 116.092 115.700 0.149 0.000 2.671 166 S HA 0.888 5.357 4.470 -0.000 0.000 0.277 166 S C -0.260 174.284 174.600 -0.093 0.000 1.165 166 S CA -0.374 57.847 58.200 0.035 0.000 0.822 166 S CB 1.465 64.698 63.200 0.055 0.000 1.150 166 S HN 1.595 nan 8.310 nan 0.000 0.479 167 G N 0.923 109.600 108.800 -0.205 0.000 2.697 167 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.240 167 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.240 167 G C -3.141 171.634 174.900 -0.207 0.000 1.346 167 G CA -0.283 44.639 45.100 -0.298 0.000 0.887 167 G HN 0.823 nan 8.290 nan 0.000 0.569 168 P HA 0.314 nan 4.420 nan 0.000 0.274 168 P C 0.235 177.415 177.300 -0.199 0.000 1.256 168 P CA -0.199 62.802 63.100 -0.165 0.000 0.795 168 P CB 0.330 31.959 31.700 -0.119 0.000 1.038 169 Y N -0.666 119.567 120.300 -0.113 0.000 2.352 169 Y HA -0.010 4.540 4.550 -0.000 0.000 0.292 169 Y C 1.296 177.104 175.900 -0.154 0.000 1.136 169 Y CA 1.145 59.158 58.100 -0.146 0.000 1.227 169 Y CB -0.149 38.206 38.460 -0.175 0.000 0.991 169 Y HN 0.054 nan 8.280 nan 0.000 0.545 170 L N 1.270 122.500 121.223 0.012 0.000 2.334 170 L HA 0.277 4.617 4.340 -0.000 0.000 0.273 170 L C -1.265 175.582 176.870 -0.039 0.000 1.013 170 L CA -1.901 52.923 54.840 -0.026 0.000 0.816 170 L CB 1.346 43.391 42.059 -0.023 0.000 1.278 170 L HN -0.134 nan 8.230 nan 0.000 0.431 171 P HA -0.014 nan 4.420 nan 0.000 0.229 171 P C 0.275 177.550 177.300 -0.042 0.000 1.160 171 P CA 0.564 63.644 63.100 -0.034 0.000 0.777 171 P CB 0.723 32.410 31.700 -0.022 0.000 0.814 172 S N -1.140 114.532 115.700 -0.046 0.000 2.550 172 S HA 0.441 4.911 4.470 -0.000 0.000 0.270 172 S C -0.829 173.727 174.600 -0.074 0.000 1.145 172 S CA -0.770 57.402 58.200 -0.047 0.000 0.852 172 S CB 0.623 63.819 63.200 -0.007 0.000 1.119 172 S HN -0.093 nan 8.310 nan 0.000 0.465 173 L N 4.441 125.608 121.223 -0.093 0.000 2.485 173 L HA 0.294 4.634 4.340 -0.000 0.000 0.275 173 L C -1.595 175.229 176.870 -0.077 0.000 1.207 173 L CA -1.194 53.558 54.840 -0.147 0.000 0.855 173 L CB 0.276 42.239 42.059 -0.160 0.000 1.114 173 L HN 0.545 nan 8.230 nan 0.000 0.485 174 P HA 0.091 nan 4.420 nan 0.000 0.274 174 P C -0.543 176.755 177.300 -0.003 0.000 1.237 174 P CA -0.497 62.579 63.100 -0.039 0.000 0.793 174 P CB 0.532 32.206 31.700 -0.043 0.000 0.977 175 T N -1.082 113.483 114.554 0.018 0.000 2.828 175 T HA 0.166 4.515 4.350 -0.000 0.000 0.290 175 T C 1.700 176.450 174.700 0.083 0.000 1.019 175 T CA -0.683 61.444 62.100 0.047 0.000 1.031 175 T CB 0.137 69.031 68.868 0.043 0.000 1.001 175 T HN 0.235 nan 8.240 nan 0.000 0.531 176 L N 0.275 121.576 121.223 0.130 0.000 2.043 176 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 176 L C 2.686 179.686 176.870 0.217 0.000 1.075 176 L CA 2.121 57.108 54.840 0.245 0.000 0.752 176 L CB -0.703 41.524 42.059 0.280 0.000 0.891 176 L HN 0.850 nan 8.230 nan 0.000 0.432 177 D N -0.205 120.277 120.400 0.136 0.000 2.117 177 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 177 D C 2.114 178.411 176.300 -0.004 0.000 0.987 177 D CA 1.417 55.458 54.000 0.068 0.000 0.829 177 D CB 0.133 40.960 40.800 0.045 0.000 0.961 177 D HN 0.271 nan 8.370 nan 0.000 0.460 178 A N -0.682 122.140 122.820 0.003 0.000 1.933 178 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 178 A C 2.355 179.916 177.584 -0.039 0.000 1.175 178 A CA 2.168 54.190 52.037 -0.025 0.000 0.628 178 A CB -0.982 18.010 19.000 -0.014 0.000 0.814 178 A HN 0.331 nan 8.150 nan 0.000 0.444 179 T N -1.494 113.057 114.554 -0.005 0.000 2.746 179 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 179 T C 1.807 176.426 174.700 -0.135 0.000 1.039 179 T CA 1.542 63.619 62.100 -0.037 0.000 1.142 179 T CB -0.488 68.448 68.868 0.113 0.000 0.866 179 T HN 0.771 nan 8.240 nan 0.000 0.444 180 H N 0.791 119.641 119.070 -0.366 0.000 2.319 180 H HA -0.094 4.461 4.556 -0.000 0.000 0.299 180 H C 2.309 177.445 175.328 -0.320 0.000 1.092 180 H CA 1.053 56.687 56.048 -0.689 0.000 1.302 180 H CB 0.224 29.331 29.762 -1.092 0.000 1.373 180 H HN 0.161 nan 8.280 nan 0.000 0.497 181 E N 0.497 120.590 120.200 -0.179 0.000 2.118 181 E HA -0.157 4.192 4.350 -0.000 0.000 0.195 181 E C 2.348 178.854 176.600 -0.157 0.000 0.992 181 E CA 0.876 57.157 56.400 -0.199 0.000 0.804 181 E CB -0.396 29.203 29.700 -0.169 0.000 0.741 181 E HN 0.599 nan 8.360 nan 0.000 0.458 182 A N 0.472 123.222 122.820 -0.116 0.000 1.902 182 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 182 A C 2.009 179.619 177.584 0.043 0.000 1.181 182 A CA 1.244 53.253 52.037 -0.048 0.000 0.623 182 A CB -0.803 18.238 19.000 0.069 0.000 0.818 182 A HN 0.207 nan 8.150 nan 0.000 0.443 183 Y N 0.454 120.769 120.300 0.026 0.000 2.165 183 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 183 Y C 2.390 178.218 175.900 -0.120 0.000 1.155 183 Y CA 1.604 59.616 58.100 -0.147 0.000 1.164 183 Y CB -0.415 37.910 38.460 -0.224 0.000 0.978 183 Y HN 0.274 nan 8.280 nan 0.000 0.513 184 K N 0.281 120.696 120.400 0.025 0.000 2.063 184 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 184 K C 1.984 178.516 176.600 -0.114 0.000 1.048 184 K CA 1.775 58.019 56.287 -0.072 0.000 0.928 184 K CB -0.255 32.153 32.500 -0.153 0.000 0.713 184 K HN 0.302 nan 8.250 nan 0.000 0.442 185 K N 0.239 120.513 120.400 -0.210 0.000 2.147 185 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 185 K C 1.939 178.429 176.600 -0.183 0.000 1.049 185 K CA 1.177 57.228 56.287 -0.393 0.000 0.936 185 K CB -0.027 31.862 32.500 -1.018 0.000 0.722 185 K HN 0.135 nan 8.250 nan 0.000 0.446 186 A N 0.231 123.069 122.820 0.029 0.000 2.169 186 A HA 0.170 4.490 4.320 -0.000 0.000 0.212 186 A C 1.360 178.976 177.584 0.054 0.000 1.153 186 A CA 0.811 52.965 52.037 0.196 0.000 0.756 186 A CB -0.210 19.045 19.000 0.425 0.000 0.813 186 A HN 0.389 nan 8.150 nan 0.000 0.471 187 G N -1.333 107.457 108.800 -0.017 0.000 2.137 187 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.237 187 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.237 187 G C 0.020 174.844 174.900 -0.127 0.000 1.002 187 G CA 0.155 45.224 45.100 -0.052 0.000 0.702 187 G HN 0.782 nan 8.290 nan 0.000 0.515 188 V N 1.714 121.522 119.914 -0.177 0.000 2.364 188 V HA 0.488 4.608 4.120 -0.000 0.000 0.272 188 V C 0.547 176.521 176.094 -0.200 0.000 1.036 188 V CA 0.291 62.387 62.300 -0.340 0.000 0.880 188 V CB 1.615 33.080 31.823 -0.597 0.000 0.991 188 V HN 0.481 nan 8.190 nan 0.000 0.460 189 D N 2.693 122.985 120.400 -0.181 0.000 2.535 189 D HA 0.425 5.065 4.640 -0.000 0.000 0.229 189 D C 0.311 176.571 176.300 -0.066 0.000 1.238 189 D CA 0.180 54.132 54.000 -0.081 0.000 0.824 189 D CB 1.138 41.916 40.800 -0.036 0.000 1.045 189 D HN 0.651 nan 8.370 nan 0.000 0.500 190 G N -0.816 107.906 108.800 -0.130 0.000 2.349 190 G HA2 0.335 4.295 3.960 -0.000 0.000 0.294 190 G HA3 0.335 4.295 3.960 -0.000 0.000 0.294 190 G C -0.837 174.063 174.900 0.000 0.000 1.380 190 G CA -0.724 44.379 45.100 0.004 0.000 0.811 190 G HN 0.232 nan 8.290 nan 0.000 0.519 191 H N -1.526 117.424 119.070 -0.200 0.000 2.880 191 H HA -0.154 4.402 4.556 -0.000 0.000 0.304 191 H C -0.267 174.849 175.328 -0.354 0.000 1.259 191 H CA 0.671 56.335 56.048 -0.641 0.000 1.153 191 H CB -1.403 27.558 29.762 -1.335 0.000 1.395 191 H HN 0.413 nan 8.280 nan 0.000 0.420 192 I N 0.980 121.590 120.570 0.067 0.000 2.362 192 I HA 0.215 4.385 4.170 -0.000 0.000 0.289 192 I C -0.130 176.189 176.117 0.336 0.000 0.994 192 I CA -0.340 60.957 61.300 -0.005 0.000 1.158 192 I CB 0.855 38.654 38.000 -0.335 0.000 1.315 192 I HN 0.056 nan 8.210 nan 0.000 0.451 193 W N 6.934 128.254 121.300 0.033 0.000 2.666 193 W HA 0.646 5.306 4.660 -0.000 0.000 0.334 193 W C -0.865 175.802 176.519 0.247 0.000 1.051 193 W CA -0.783 56.654 57.345 0.154 0.000 1.224 193 W CB 1.563 31.139 29.460 0.193 0.000 1.405 193 W HN 0.195 nan 8.180 nan 0.000 0.513 194 L N 3.397 124.824 121.223 0.339 0.000 2.362 194 L HA 0.711 5.050 4.340 -0.000 0.000 0.275 194 L C -0.148 176.775 176.870 0.089 0.000 0.998 194 L CA -0.309 54.668 54.840 0.229 0.000 0.820 194 L CB 1.366 43.477 42.059 0.088 0.000 1.270 194 L HN 0.415 nan 8.230 nan 0.000 0.415 195 S N 1.749 117.415 115.700 -0.057 0.000 2.532 195 S HA 0.744 5.214 4.470 -0.000 0.000 0.301 195 S C -1.039 173.469 174.600 -0.153 0.000 1.083 195 S CA -0.815 57.151 58.200 -0.390 0.000 1.025 195 S CB 2.065 64.882 63.200 -0.638 0.000 1.056 195 S HN 0.678 nan 8.310 nan 0.000 0.494 196 D N -0.488 119.759 120.400 -0.254 0.000 2.581 196 D HA 0.641 5.281 4.640 -0.000 0.000 0.232 196 D C 0.637 176.466 176.300 -0.784 0.000 1.143 196 D CA 0.442 54.247 54.000 -0.326 0.000 0.881 196 D CB 1.479 42.220 40.800 -0.098 0.000 1.500 196 D HN 1.093 nan 8.370 nan 0.000 0.458 197 G N 1.162 109.517 108.800 -0.740 0.000 2.132 197 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.228 197 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.228 197 G C 0.836 175.071 174.900 -1.109 0.000 1.000 197 G CA 0.367 44.898 45.100 -0.949 0.000 0.693 197 G HN 0.453 nan 8.290 nan 0.000 0.515 198 L N 0.336 120.861 121.223 -1.162 0.000 1.988 198 L HA 0.097 4.436 4.340 -0.000 0.000 0.207 198 L C 2.043 178.666 176.870 -0.411 0.000 1.071 198 L CA 2.311 56.575 54.840 -0.961 0.000 0.744 198 L CB -0.360 41.443 42.059 -0.428 0.000 0.893 198 L HN 0.615 nan 8.230 nan 0.000 0.433 199 T N -3.023 111.406 114.554 -0.209 0.000 2.925 199 T HA 0.300 4.650 4.350 -0.000 0.000 0.285 199 T C -0.271 174.426 174.700 -0.005 0.000 1.021 199 T CA -0.688 61.367 62.100 -0.075 0.000 1.042 199 T CB 1.373 70.253 68.868 0.020 0.000 1.037 199 T HN 0.268 nan 8.240 nan 0.000 0.481 200 N N 0.642 119.362 118.700 0.034 0.000 2.644 200 N HA 0.243 4.983 4.740 -0.000 0.000 0.313 200 N C 0.128 175.683 175.510 0.075 0.000 1.863 200 N CA -0.555 52.519 53.050 0.040 0.000 0.918 200 N CB 0.253 38.742 38.487 0.002 0.000 1.320 200 N HN 0.696 nan 8.380 nan 0.000 0.490 201 F N -0.752 119.185 119.950 -0.022 0.000 2.661 201 F HA 0.282 4.809 4.527 -0.000 0.000 0.298 201 F C 0.595 176.394 175.800 -0.002 0.000 1.137 201 F CA 0.071 58.063 58.000 -0.014 0.000 1.454 201 F CB 0.407 39.403 39.000 -0.007 0.000 1.103 201 F HN -0.007 nan 8.300 nan 0.000 0.577 202 S N 0.901 116.176 115.700 -0.708 0.000 2.386 202 S HA 0.370 4.840 4.470 -0.000 0.000 0.152 202 S C -2.004 172.400 174.600 -0.327 0.000 1.511 202 S CA -1.064 56.717 58.200 -0.699 0.000 1.246 202 S CB 0.292 62.778 63.200 -1.190 0.000 1.338 202 S HN -0.129 nan 8.310 nan 0.000 0.409 203 P HA -0.123 nan 4.420 nan 0.000 0.216 203 P C 1.212 178.462 177.300 -0.084 0.000 1.154 203 P CA 1.245 64.288 63.100 -0.095 0.000 0.865 203 P CB 0.097 31.758 31.700 -0.065 0.000 0.789 204 L N -2.210 118.954 121.223 -0.098 0.000 2.240 204 L HA 0.076 4.416 4.340 -0.000 0.000 0.211 204 L C 2.614 179.438 176.870 -0.078 0.000 1.106 204 L CA 1.355 56.151 54.840 -0.073 0.000 0.793 204 L CB -1.454 40.566 42.059 -0.065 0.000 0.927 204 L HN 0.032 nan 8.230 nan 0.000 0.446 205 G N -0.098 108.627 108.800 -0.125 0.000 2.403 205 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.216 205 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.216 205 G C 1.115 175.977 174.900 -0.064 0.000 1.154 205 G CA 0.561 45.596 45.100 -0.109 0.000 0.784 205 G HN 0.281 nan 8.290 nan 0.000 0.538 206 D N 0.462 120.818 120.400 -0.073 0.000 2.149 206 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 206 D C 2.404 178.706 176.300 0.004 0.000 0.972 206 D CA 0.683 54.675 54.000 -0.014 0.000 0.835 206 D CB -0.377 40.420 40.800 -0.006 0.000 0.966 206 D HN 0.347 nan 8.370 nan 0.000 0.476 207 M N 1.278 120.871 119.600 -0.012 0.000 2.110 207 M HA -0.246 4.234 4.480 -0.000 0.000 0.257 207 M C 2.092 178.391 176.300 -0.002 0.000 1.071 207 M CA 2.310 57.605 55.300 -0.007 0.000 1.096 207 M CB -0.272 32.316 32.600 -0.020 0.000 1.300 207 M HN -0.005 nan 8.290 nan 0.000 0.411 208 A N 0.377 123.192 122.820 -0.009 0.000 1.902 208 A HA -0.206 4.113 4.320 -0.000 0.000 0.217 208 A C 2.251 179.841 177.584 0.010 0.000 1.181 208 A CA 2.005 54.041 52.037 -0.001 0.000 0.623 208 A CB -0.838 18.158 19.000 -0.006 0.000 0.818 208 A HN 0.706 nan 8.150 nan 0.000 0.443 209 R N -0.966 119.542 120.500 0.014 0.000 2.091 209 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 209 R C 2.009 178.324 176.300 0.025 0.000 1.136 209 R CA 1.776 57.890 56.100 0.025 0.000 0.959 209 R CB -0.412 29.907 30.300 0.032 0.000 0.856 209 R HN 0.443 nan 8.270 nan 0.000 0.437 210 L N 0.892 122.132 121.223 0.028 0.000 2.027 210 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 210 L C 1.868 178.750 176.870 0.020 0.000 1.074 210 L CA 1.850 56.711 54.840 0.035 0.000 0.745 210 L CB -0.468 41.629 42.059 0.064 0.000 0.898 210 L HN 0.006 nan 8.230 nan 0.000 0.433 211 K N 0.116 120.524 120.400 0.014 0.000 2.103 211 K HA -0.234 4.085 4.320 -0.000 0.000 0.207 211 K C 2.096 178.701 176.600 0.009 0.000 1.048 211 K CA 1.579 57.872 56.287 0.009 0.000 0.930 211 K CB -0.295 32.209 32.500 0.006 0.000 0.716 211 K HN 0.562 nan 8.250 nan 0.000 0.444 212 E N -0.026 120.182 120.200 0.014 0.000 2.077 212 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 212 E C 1.773 178.378 176.600 0.008 0.000 0.989 212 E CA 1.176 57.587 56.400 0.018 0.000 0.800 212 E CB 0.033 29.750 29.700 0.029 0.000 0.746 212 E HN 0.248 nan 8.360 nan 0.000 0.452 213 A N 0.961 123.782 122.820 0.002 0.000 1.873 213 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 213 A C 2.161 179.717 177.584 -0.047 0.000 1.186 213 A CA 1.183 53.205 52.037 -0.025 0.000 0.616 213 A CB -0.569 18.423 19.000 -0.014 0.000 0.823 213 A HN 0.289 nan 8.150 nan 0.000 0.442 214 I N -0.406 120.151 120.570 -0.021 0.000 2.179 214 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 214 I C 2.554 178.659 176.117 -0.020 0.000 1.088 214 I CA 1.919 63.209 61.300 -0.017 0.000 1.357 214 I CB -0.213 37.789 38.000 0.004 0.000 1.051 214 I HN 0.357 nan 8.210 nan 0.000 0.409 215 K N 0.390 120.784 120.400 -0.011 0.000 2.032 215 K HA -0.248 4.072 4.320 -0.000 0.000 0.209 215 K C 2.390 178.979 176.600 -0.019 0.000 1.048 215 K CA 2.015 58.298 56.287 -0.006 0.000 0.927 215 K CB -0.203 32.300 32.500 0.005 0.000 0.712 215 K HN 0.181 nan 8.250 nan 0.000 0.441 216 S N 0.638 116.320 115.700 -0.031 0.000 2.359 216 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 216 S C 2.096 176.622 174.600 -0.124 0.000 1.035 216 S CA 1.544 59.710 58.200 -0.057 0.000 1.018 216 S CB -0.343 62.817 63.200 -0.066 0.000 0.876 216 S HN 0.406 nan 8.310 nan 0.000 0.448 217 R N 0.439 120.846 120.500 -0.154 0.000 2.103 217 R HA -0.120 4.220 4.340 -0.000 0.000 0.242 217 R C 0.725 176.975 176.300 -0.085 0.000 1.142 217 R CA 2.027 58.031 56.100 -0.159 0.000 0.960 217 R CB -0.451 29.774 30.300 -0.126 0.000 0.858 217 R HN 0.391 nan 8.270 nan 0.000 0.439 218 D N 0.445 120.816 120.400 -0.048 0.000 2.328 218 D HA 0.003 4.643 4.640 -0.000 0.000 0.226 218 D C 0.254 176.542 176.300 -0.020 0.000 1.066 218 D CA 0.295 54.280 54.000 -0.025 0.000 0.861 218 D CB 0.415 41.212 40.800 -0.006 0.000 0.912 218 D HN 0.246 nan 8.370 nan 0.000 0.521 219 S N -0.584 115.104 115.700 -0.021 0.000 2.632 219 S HA 0.520 4.990 4.470 -0.000 0.000 0.271 219 S C 1.541 176.145 174.600 0.006 0.000 1.260 219 S CA -0.253 57.946 58.200 -0.001 0.000 1.010 219 S CB 2.209 65.417 63.200 0.014 0.000 0.965 219 S HN 0.017 nan 8.310 nan 0.000 0.534 220 A N 2.351 125.181 122.820 0.017 0.000 1.883 220 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 220 A C 1.534 179.141 177.584 0.038 0.000 1.186 220 A CA 1.969 54.019 52.037 0.021 0.000 0.624 220 A CB -1.370 17.644 19.000 0.023 0.000 0.822 220 A HN 0.961 nan 8.150 nan 0.000 0.444 221 N N 0.092 118.827 118.700 0.059 0.000 2.313 221 N HA 0.331 5.070 4.740 -0.000 0.000 0.207 221 N C 0.669 176.254 175.510 0.124 0.000 1.141 221 N CA 0.465 53.572 53.050 0.095 0.000 0.830 221 N CB 0.017 38.572 38.487 0.113 0.000 1.008 221 N HN 0.409 nan 8.380 nan 0.000 0.481 222 G N 0.246 109.083 108.800 0.063 0.000 2.491 222 G HA2 0.223 4.182 3.960 -0.000 0.000 0.238 222 G HA3 0.223 4.182 3.960 -0.000 0.000 0.238 222 G C 0.192 175.096 174.900 0.007 0.000 1.277 222 G CA -0.447 44.655 45.100 0.002 0.000 0.851 222 G HN 0.441 nan 8.290 nan 0.000 0.573 223 F N 0.230 120.071 119.950 -0.183 0.000 2.740 223 F HA 0.455 4.982 4.527 -0.000 0.000 0.304 223 F C 0.744 176.425 175.800 -0.198 0.000 1.098 223 F CA -0.838 56.997 58.000 -0.276 0.000 1.258 223 F CB 0.053 38.634 39.000 -0.698 0.000 1.061 223 F HN 0.153 nan 8.300 nan 0.000 0.598 224 I N 2.893 122.944 120.570 -0.865 0.000 2.533 224 I HA 0.056 4.225 4.170 -0.000 0.000 0.284 224 I C 0.350 176.328 176.117 -0.230 0.000 1.109 224 I CA 0.342 61.324 61.300 -0.530 0.000 1.412 224 I CB 0.767 38.426 38.000 -0.568 0.000 1.396 224 I HN 0.264 nan 8.210 nan 0.000 0.543 225 N N 4.453 123.094 118.700 -0.097 0.000 2.278 225 N HA 0.059 4.798 4.740 -0.000 0.000 0.181 225 N C -0.222 175.186 175.510 -0.169 0.000 1.023 225 N CA 0.671 53.698 53.050 -0.039 0.000 0.862 225 N CB 0.297 38.865 38.487 0.136 0.000 1.003 225 N HN 0.410 nan 8.380 nan 0.000 0.431 226 K N 0.656 120.830 120.400 -0.377 0.000 2.426 226 K HA 0.470 4.790 4.320 -0.000 0.000 0.251 226 K C -1.174 175.129 176.600 -0.495 0.000 0.941 226 K CA -0.427 55.444 56.287 -0.694 0.000 0.808 226 K CB 2.611 34.083 32.500 -1.714 0.000 1.265 226 K HN -0.042 nan 8.250 nan 0.000 0.432 227 I N 2.817 123.198 120.570 -0.315 0.000 2.436 227 I HA 0.375 4.545 4.170 -0.000 0.000 0.289 227 I C -0.770 175.356 176.117 0.016 0.000 1.010 227 I CA -1.109 60.136 61.300 -0.090 0.000 1.098 227 I CB 1.180 39.153 38.000 -0.045 0.000 1.266 227 I HN 0.525 nan 8.210 nan 0.000 0.434 228 Y N 4.607 124.867 120.300 -0.067 0.000 2.485 228 Y HA 0.655 5.205 4.550 -0.000 0.000 0.345 228 Y C -1.453 174.582 175.900 0.224 0.000 0.998 228 Y CA -1.333 56.809 58.100 0.071 0.000 1.059 228 Y CB 1.253 39.783 38.460 0.116 0.000 1.234 228 Y HN 0.484 nan 8.280 nan 0.000 0.461 229 Y N 4.262 124.654 120.300 0.154 0.000 2.377 229 Y HA 0.508 5.058 4.550 -0.000 0.000 0.339 229 Y C -0.881 175.137 175.900 0.197 0.000 1.011 229 Y CA -1.661 56.475 58.100 0.061 0.000 1.093 229 Y CB 1.049 39.515 38.460 0.011 0.000 1.201 229 Y HN 0.951 nan 8.280 nan 0.000 0.455 230 W N 3.161 124.133 121.300 -0.546 0.000 2.630 230 W HA 0.671 5.331 4.660 -0.000 0.000 0.365 230 W C -0.524 175.839 176.519 -0.260 0.000 1.270 230 W CA -1.259 55.918 57.345 -0.281 0.000 1.291 230 W CB 0.035 29.387 29.460 -0.179 0.000 1.440 230 W HN 0.551 nan 8.180 nan 0.000 0.652 231 S N 1.031 116.809 115.700 0.130 0.000 4.575 231 S HA -0.018 4.452 4.470 -0.000 0.000 0.533 231 S C -0.317 174.382 174.600 0.164 0.000 0.829 231 S CA 0.205 58.438 58.200 0.055 0.000 1.281 231 S CB -1.233 61.912 63.200 -0.091 0.000 1.614 231 S HN 0.450 nan 8.310 nan 0.000 0.423 232 V N 4.233 124.271 119.914 0.207 0.000 2.334 232 V HA 0.283 4.403 4.120 -0.000 0.000 0.281 232 V C 0.267 176.454 176.094 0.154 0.000 1.016 232 V CA -0.443 61.969 62.300 0.187 0.000 0.832 232 V CB 1.698 33.629 31.823 0.179 0.000 0.999 232 V HN 0.726 nan 8.190 nan 0.000 0.439 233 D N 2.605 123.108 120.400 0.172 0.000 2.500 233 D HA 0.219 4.859 4.640 -0.000 0.000 0.217 233 D C 0.479 176.916 176.300 0.229 0.000 1.159 233 D CA 0.236 54.406 54.000 0.284 0.000 0.828 233 D CB 0.966 42.012 40.800 0.410 0.000 1.039 233 D HN 0.461 nan 8.370 nan 0.000 0.512 234 K N -0.132 120.336 120.400 0.113 0.000 2.350 234 K HA 0.400 4.720 4.320 -0.000 0.000 0.241 234 K C 0.960 177.561 176.600 0.002 0.000 0.994 234 K CA -0.789 55.527 56.287 0.047 0.000 0.839 234 K CB 2.980 35.495 32.500 0.025 0.000 1.244 234 K HN -0.360 nan 8.250 nan 0.000 0.443 235 V N 0.908 120.805 119.914 -0.029 0.000 2.287 235 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 235 V C 2.343 178.377 176.094 -0.099 0.000 1.053 235 V CA 2.594 64.849 62.300 -0.074 0.000 1.027 235 V CB -0.706 31.071 31.823 -0.077 0.000 0.646 235 V HN 1.015 nan 8.190 nan 0.000 0.447 236 S N 1.263 116.923 115.700 -0.067 0.000 2.359 236 S HA -0.296 4.174 4.470 -0.000 0.000 0.223 236 S C 2.050 176.608 174.600 -0.071 0.000 1.039 236 S CA 2.319 60.482 58.200 -0.062 0.000 1.042 236 S CB -1.269 61.910 63.200 -0.036 0.000 0.915 236 S HN 0.762 nan 8.310 nan 0.000 0.439 237 T N -1.129 113.391 114.554 -0.056 0.000 2.904 237 T HA -0.009 4.341 4.350 -0.000 0.000 0.267 237 T C 1.884 176.523 174.700 -0.102 0.000 1.059 237 T CA 1.479 63.536 62.100 -0.072 0.000 1.137 237 T CB -1.255 67.597 68.868 -0.028 0.000 0.879 237 T HN 0.454 nan 8.240 nan 0.000 0.467 238 T N 2.029 116.532 114.554 -0.085 0.000 2.737 238 T HA -0.018 4.332 4.350 -0.000 0.000 0.265 238 T C 1.962 176.557 174.700 -0.176 0.000 1.038 238 T CA 1.212 63.248 62.100 -0.107 0.000 1.144 238 T CB -0.217 68.599 68.868 -0.087 0.000 0.866 238 T HN 0.464 nan 8.240 nan 0.000 0.434 239 K N 1.147 121.411 120.400 -0.227 0.000 2.063 239 K HA -0.019 4.300 4.320 -0.000 0.000 0.208 239 K C 2.687 179.261 176.600 -0.044 0.000 1.048 239 K CA 1.254 57.385 56.287 -0.260 0.000 0.928 239 K CB -0.328 31.976 32.500 -0.328 0.000 0.713 239 K HN 0.283 nan 8.250 nan 0.000 0.442 240 A N 1.560 124.334 122.820 -0.076 0.000 1.877 240 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 240 A C 2.392 179.898 177.584 -0.129 0.000 1.186 240 A CA 1.968 53.960 52.037 -0.075 0.000 0.620 240 A CB -0.752 18.185 19.000 -0.105 0.000 0.822 240 A HN 0.351 nan 8.150 nan 0.000 0.443 241 A N -0.358 122.342 122.820 -0.200 0.000 1.902 241 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 241 A C 2.192 179.669 177.584 -0.179 0.000 1.181 241 A CA 1.483 53.374 52.037 -0.242 0.000 0.623 241 A CB -0.612 18.240 19.000 -0.247 0.000 0.818 241 A HN 0.472 nan 8.150 nan 0.000 0.443 242 L N -0.432 120.655 121.223 -0.226 0.000 2.046 242 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 242 L C 2.017 178.723 176.870 -0.273 0.000 1.077 242 L CA 1.522 56.087 54.840 -0.457 0.000 0.747 242 L CB -0.677 40.934 42.059 -0.747 0.000 0.896 242 L HN 0.336 nan 8.230 nan 0.000 0.432 243 D N -0.281 120.102 120.400 -0.029 0.000 2.178 243 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 243 D C 2.191 178.527 176.300 0.059 0.000 0.974 243 D CA 1.582 55.648 54.000 0.110 0.000 0.841 243 D CB -0.140 40.740 40.800 0.133 0.000 0.953 243 D HN 0.355 nan 8.370 nan 0.000 0.478 244 V N -2.247 117.663 119.914 -0.006 0.000 2.970 244 V HA 0.219 4.339 4.120 -0.000 0.000 0.260 244 V C 1.510 177.616 176.094 0.019 0.000 1.100 244 V CA 1.321 63.616 62.300 -0.008 0.000 1.122 244 V CB -0.433 31.358 31.823 -0.053 0.000 0.721 244 V HN 0.253 nan 8.190 nan 0.000 0.483 245 G N 0.230 109.046 108.800 0.027 0.000 2.141 245 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.164 245 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.164 245 G C 0.055 174.978 174.900 0.038 0.000 1.009 245 G CA 0.158 45.300 45.100 0.070 0.000 0.677 245 G HN 1.692 nan 8.290 nan 0.000 0.508 246 V N -2.232 117.679 119.914 -0.005 0.000 3.051 246 V HA 0.563 4.682 4.120 -0.000 0.000 0.306 246 V C 0.984 177.076 176.094 -0.004 0.000 1.083 246 V CA 0.578 62.881 62.300 0.005 0.000 1.104 246 V CB 1.344 33.191 31.823 0.040 0.000 1.027 246 V HN 0.114 nan 8.190 nan 0.000 0.483 247 D N 2.353 122.741 120.400 -0.019 0.000 2.346 247 D HA 0.219 4.859 4.640 -0.000 0.000 0.206 247 D C 0.762 177.111 176.300 0.082 0.000 1.001 247 D CA 1.305 55.302 54.000 -0.005 0.000 0.871 247 D CB 0.935 41.647 40.800 -0.147 0.000 0.943 247 D HN 0.883 nan 8.370 nan 0.000 0.518 248 G N 0.742 109.589 108.800 0.078 0.000 2.662 248 G HA2 0.518 4.477 3.960 -0.000 0.000 0.302 248 G HA3 0.518 4.477 3.960 -0.000 0.000 0.302 248 G C -0.979 174.081 174.900 0.265 0.000 1.389 248 G CA -0.381 44.838 45.100 0.198 0.000 0.998 248 G HN -0.095 nan 8.290 nan 0.000 0.502 249 I N 2.544 123.274 120.570 0.266 0.000 2.410 249 I HA 0.328 4.498 4.170 -0.000 0.000 0.286 249 I C -0.195 176.099 176.117 0.295 0.000 1.009 249 I CA -0.703 60.750 61.300 0.255 0.000 1.111 249 I CB 1.688 39.781 38.000 0.155 0.000 1.262 249 I HN 0.545 nan 8.210 nan 0.000 0.443 250 M N 6.645 126.459 119.600 0.357 0.000 2.144 250 M HA 0.450 4.930 4.480 -0.000 0.000 0.356 250 M C -0.381 176.039 176.300 0.199 0.000 1.217 250 M CA 0.668 56.152 55.300 0.306 0.000 1.087 250 M CB 1.109 33.941 32.600 0.387 0.000 1.609 250 M HN 0.656 nan 8.290 nan 0.000 0.467 251 T N 2.750 117.385 114.554 0.135 0.000 2.923 251 T HA 0.411 4.761 4.350 -0.000 0.000 0.311 251 T C 0.234 174.935 174.700 0.002 0.000 1.183 251 T CA -0.831 61.315 62.100 0.076 0.000 1.020 251 T CB 1.019 69.958 68.868 0.118 0.000 1.165 251 T HN 0.799 nan 8.240 nan 0.000 0.482 252 N N 1.697 120.283 118.700 -0.190 0.000 2.494 252 N HA 0.036 4.775 4.740 -0.000 0.000 0.182 252 N C -0.707 174.471 175.510 -0.554 0.000 1.076 252 N CA 0.838 53.618 53.050 -0.449 0.000 0.908 252 N CB 0.127 38.120 38.487 -0.823 0.000 0.967 252 N HN 0.586 nan 8.380 nan 0.000 0.449 253 Y N -0.851 119.589 120.300 0.233 0.000 2.592 253 Y HA 0.366 4.916 4.550 -0.000 0.000 0.354 253 Y C -1.930 174.055 175.900 0.141 0.000 1.063 253 Y CA -2.376 55.828 58.100 0.173 0.000 1.205 253 Y CB 1.453 39.974 38.460 0.102 0.000 1.106 253 Y HN -0.107 nan 8.280 nan 0.000 0.649 254 P HA -0.170 nan 4.420 nan 0.000 0.221 254 P C 1.206 178.585 177.300 0.131 0.000 1.145 254 P CA 1.545 64.752 63.100 0.180 0.000 0.795 254 P CB 0.331 32.145 31.700 0.190 0.000 0.775 255 N N -0.699 118.079 118.700 0.130 0.000 2.381 255 N HA -0.082 4.658 4.740 -0.000 0.000 0.182 255 N C 1.404 176.952 175.510 0.065 0.000 1.025 255 N CA 0.983 54.079 53.050 0.076 0.000 0.888 255 N CB -1.181 37.339 38.487 0.056 0.000 0.965 255 N HN 0.061 nan 8.380 nan 0.000 0.438 256 V N 1.557 121.530 119.914 0.098 0.000 2.261 256 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 256 V C 2.588 178.697 176.094 0.025 0.000 1.047 256 V CA 1.288 63.624 62.300 0.060 0.000 1.015 256 V CB -0.740 31.141 31.823 0.097 0.000 0.642 256 V HN 0.214 nan 8.190 nan 0.000 0.446 257 L N -0.049 121.198 121.223 0.040 0.000 2.042 257 L HA -0.162 4.177 4.340 -0.000 0.000 0.210 257 L C 2.232 179.108 176.870 0.010 0.000 1.076 257 L CA 1.954 56.801 54.840 0.012 0.000 0.749 257 L CB -0.654 41.425 42.059 0.034 0.000 0.893 257 L HN 0.164 nan 8.230 nan 0.000 0.432 258 I N -0.003 120.581 120.570 0.024 0.000 2.208 258 I HA -0.192 3.977 4.170 -0.000 0.000 0.245 258 I C 2.592 178.716 176.117 0.012 0.000 1.097 258 I CA 1.420 62.731 61.300 0.019 0.000 1.363 258 I CB -2.334 35.679 38.000 0.021 0.000 1.051 258 I HN 0.394 nan 8.210 nan 0.000 0.413 259 G N 0.516 109.318 108.800 0.004 0.000 2.421 259 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.216 259 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.216 259 G C 1.860 176.750 174.900 -0.017 0.000 1.171 259 G CA 0.900 45.997 45.100 -0.005 0.000 0.775 259 G HN 0.281 nan 8.290 nan 0.000 0.543 260 V N 0.988 120.875 119.914 -0.046 0.000 2.407 260 V HA -0.084 4.036 4.120 -0.000 0.000 0.248 260 V C 2.784 178.872 176.094 -0.009 0.000 1.055 260 V CA 1.227 63.461 62.300 -0.110 0.000 1.049 260 V CB -0.322 31.373 31.823 -0.213 0.000 0.662 260 V HN 0.338 nan 8.190 nan 0.000 0.455 261 L N -0.553 120.693 121.223 0.039 0.000 2.465 261 L HA -0.075 4.264 4.340 -0.000 0.000 0.224 261 L C 2.182 179.114 176.870 0.103 0.000 1.145 261 L CA 1.078 55.984 54.840 0.110 0.000 0.834 261 L CB -0.437 41.667 42.059 0.076 0.000 0.944 261 L HN 0.329 nan 8.230 nan 0.000 0.451 262 K N -0.177 120.265 120.400 0.069 0.000 2.400 262 K HA 0.086 4.406 4.320 -0.000 0.000 0.194 262 K C 0.193 176.840 176.600 0.078 0.000 1.033 262 K CA 0.118 56.440 56.287 0.059 0.000 1.021 262 K CB 0.290 32.810 32.500 0.034 0.000 0.808 262 K HN 0.377 nan 8.250 nan 0.000 0.505 263 E N 1.299 121.567 120.200 0.115 0.000 2.313 263 E HA 0.141 4.491 4.350 -0.000 0.000 0.272 263 E C -0.585 176.133 176.600 0.197 0.000 1.038 263 E CA -0.295 56.191 56.400 0.143 0.000 0.863 263 E CB 1.343 31.131 29.700 0.147 0.000 1.060 263 E HN -0.086 nan 8.360 nan 0.000 0.402 264 S N 0.716 116.500 115.700 0.139 0.000 2.549 264 S HA 0.319 4.789 4.470 -0.000 0.000 0.283 264 S C 1.049 175.709 174.600 0.100 0.000 1.320 264 S CA 0.521 58.776 58.200 0.092 0.000 1.058 264 S CB 0.852 64.082 63.200 0.051 0.000 0.882 264 S HN 0.858 nan 8.310 nan 0.000 0.498 265 G N 1.753 110.530 108.800 -0.038 0.000 2.213 265 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.236 265 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.236 265 G C 0.356 174.867 174.900 -0.649 0.000 0.991 265 G CA 0.364 45.297 45.100 -0.277 0.000 0.629 265 G HN 0.695 nan 8.290 nan 0.000 0.517 266 Y N 0.610 120.962 120.300 0.087 0.000 2.736 266 Y HA 0.129 4.679 4.550 -0.000 0.000 0.272 266 Y C 2.383 178.353 175.900 0.118 0.000 1.118 266 Y CA 0.724 58.949 58.100 0.207 0.000 1.248 266 Y CB -0.572 38.013 38.460 0.208 0.000 1.437 266 Y HN 0.272 nan 8.280 nan 0.000 0.481 267 N N 0.122 118.933 118.700 0.185 0.000 2.247 267 N HA -0.219 4.521 4.740 -0.000 0.000 0.189 267 N C 0.809 176.321 175.510 0.002 0.000 1.009 267 N CA 2.165 55.267 53.050 0.086 0.000 0.872 267 N CB -0.507 38.019 38.487 0.064 0.000 0.980 267 N HN 0.259 nan 8.380 nan 0.000 0.436 268 D N -0.830 119.532 120.400 -0.063 0.000 2.354 268 D HA 0.112 4.752 4.640 -0.000 0.000 0.209 268 D C 1.015 177.190 176.300 -0.208 0.000 1.015 268 D CA 0.474 54.406 54.000 -0.113 0.000 0.867 268 D CB 0.275 41.008 40.800 -0.112 0.000 0.933 268 D HN 0.440 nan 8.370 nan 0.000 0.520 269 K N -1.132 119.037 120.400 -0.384 0.000 2.474 269 K HA 0.107 4.427 4.320 -0.000 0.000 0.204 269 K C -0.479 175.645 176.600 -0.794 0.000 1.220 269 K CA 0.118 55.969 56.287 -0.727 0.000 0.966 269 K CB 1.427 33.165 32.500 -1.270 0.000 1.049 269 K HN -0.032 nan 8.250 nan 0.000 0.554 270 Y N 0.813 121.088 120.300 -0.043 0.000 2.524 270 Y HA 0.432 4.981 4.550 -0.000 0.000 0.347 270 Y C -0.560 175.307 175.900 -0.055 0.000 1.005 270 Y CA -1.429 56.632 58.100 -0.066 0.000 1.025 270 Y CB 1.540 39.998 38.460 -0.004 0.000 1.275 270 Y HN -0.136 nan 8.280 nan 0.000 0.460 271 R N 0.837 121.372 120.500 0.058 0.000 2.739 271 R HA 0.708 5.048 4.340 -0.000 0.000 0.271 271 R C -2.095 174.166 176.300 -0.065 0.000 1.010 271 R CA -1.177 54.922 56.100 -0.001 0.000 0.897 271 R CB 1.607 31.887 30.300 -0.034 0.000 1.236 271 R HN 0.591 nan 8.270 nan 0.000 0.466 272 L N 2.035 123.214 121.223 -0.074 0.000 2.462 272 L HA 0.331 4.671 4.340 -0.000 0.000 0.272 272 L C 0.061 176.784 176.870 -0.246 0.000 1.166 272 L CA 0.483 55.241 54.840 -0.137 0.000 0.880 272 L CB 0.784 42.792 42.059 -0.085 0.000 1.142 272 L HN 0.868 nan 8.230 nan 0.000 0.473 273 A N 3.762 126.298 122.820 -0.473 0.000 2.483 273 A HA 0.478 4.798 4.320 -0.000 0.000 0.238 273 A C 0.456 177.778 177.584 -0.438 0.000 1.070 273 A CA 0.411 52.015 52.037 -0.723 0.000 0.770 273 A CB -0.263 17.635 19.000 -1.837 0.000 1.008 273 A HN 0.877 nan 8.150 nan 0.000 0.497 274 T N -1.451 112.936 114.554 -0.278 0.000 2.883 274 T HA 0.411 4.761 4.350 -0.000 0.000 0.284 274 T C 0.604 175.318 174.700 0.023 0.000 1.041 274 T CA -0.136 61.919 62.100 -0.075 0.000 1.007 274 T CB 0.517 69.380 68.868 -0.007 0.000 1.220 274 T HN 0.552 nan 8.240 nan 0.000 0.552 275 Y N 0.369 120.689 120.300 0.033 0.000 2.483 275 Y HA -0.017 4.533 4.550 -0.000 0.000 0.291 275 Y C 1.606 177.579 175.900 0.123 0.000 1.143 275 Y CA 1.486 59.661 58.100 0.125 0.000 1.289 275 Y CB -0.311 38.237 38.460 0.147 0.000 0.983 275 Y HN 0.624 nan 8.280 nan 0.000 0.556 276 D N -0.261 120.190 120.400 0.085 0.000 2.355 276 D HA -0.049 4.590 4.640 -0.000 0.000 0.218 276 D C -0.359 175.929 176.300 -0.020 0.000 1.004 276 D CA 0.592 54.609 54.000 0.028 0.000 0.880 276 D CB -0.093 40.751 40.800 0.072 0.000 0.911 276 D HN 0.349 nan 8.370 nan 0.000 0.528 277 D N 1.415 121.790 120.400 -0.041 0.000 2.380 277 D HA 0.013 4.653 4.640 -0.000 0.000 0.230 277 D C 0.180 176.481 176.300 0.002 0.000 1.154 277 D CA -0.275 53.721 54.000 -0.006 0.000 0.859 277 D CB 0.560 41.311 40.800 -0.081 0.000 1.045 277 D HN -0.108 nan 8.370 nan 0.000 0.495 278 N N 3.787 122.448 118.700 -0.064 0.000 2.438 278 N HA 0.016 4.756 4.740 -0.000 0.000 0.267 278 N C -1.560 173.750 175.510 -0.333 0.000 1.222 278 N CA -1.578 51.298 53.050 -0.291 0.000 0.930 278 N CB 1.083 39.470 38.487 -0.166 0.000 1.083 278 N HN 0.118 nan 8.380 nan 0.000 0.476 279 P HA -0.043 nan 4.420 nan 0.000 0.230 279 P C 0.254 177.300 177.300 -0.422 0.000 1.158 279 P CA 1.041 63.597 63.100 -0.907 0.000 0.769 279 P CB -0.104 30.669 31.700 -1.545 0.000 0.807 280 W N 0.443 121.598 121.300 -0.241 0.000 3.278 280 W HA 0.253 4.913 4.660 -0.000 0.000 0.308 280 W C 0.775 177.257 176.519 -0.061 0.000 1.253 280 W CA -0.737 56.517 57.345 -0.152 0.000 1.759 280 W CB 0.374 29.600 29.460 -0.390 0.000 1.093 280 W HN -0.028 nan 8.180 nan 0.000 0.648 281 E N 1.598 121.857 120.200 0.098 0.000 2.134 281 E HA 0.154 4.504 4.350 -0.000 0.000 0.278 281 E C -0.230 176.425 176.600 0.092 0.000 0.959 281 E CA -0.331 56.127 56.400 0.096 0.000 0.783 281 E CB 0.994 30.738 29.700 0.073 0.000 1.095 281 E HN -0.250 nan 8.360 nan 0.000 0.399 282 T N 5.063 119.662 114.554 0.075 0.000 2.829 282 T HA -0.038 4.312 4.350 -0.000 0.000 0.293 282 T C -0.012 174.750 174.700 0.105 0.000 0.970 282 T CA 0.006 62.141 62.100 0.059 0.000 1.168 282 T CB -0.241 68.637 68.868 0.016 0.000 0.911 282 T HN 0.324 nan 8.240 nan 0.000 0.535 283 F N 4.614 124.566 119.950 0.003 0.000 2.578 283 F HA 0.252 4.778 4.527 -0.000 0.000 0.381 283 F C 0.400 176.208 175.800 0.012 0.000 1.069 283 F CA -0.298 57.716 58.000 0.024 0.000 1.231 283 F CB 0.330 39.356 39.000 0.045 0.000 1.086 283 F HN 0.206 nan 8.300 nan 0.000 0.564 284 K N 5.770 125.700 120.400 -0.783 0.000 2.323 284 K HA 0.325 4.645 4.320 -0.000 0.000 0.259 284 K C -0.310 175.749 176.600 -0.903 0.000 0.947 284 K CA -0.765 55.134 56.287 -0.647 0.000 0.819 284 K CB 1.175 33.493 32.500 -0.304 0.000 1.109 284 K HN 0.879 nan 8.250 nan 0.000 0.429 285 N N 0.000 118.345 118.700 -0.591 0.000 1.763 285 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 285 N CA 0.000 52.854 53.050 -0.327 0.000 0.885 285 N CB 0.000 38.371 38.487 -0.193 0.000 1.341 285 N HN 0.000 nan 8.380 nan 0.000 0.667